@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3231

@attribute molecule_id 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@attribute P_VSA_MR_5 numeric
@attribute NsssCH numeric
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@attribute H.050 numeric
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@attribute SpMin4_Bh.s. numeric
@attribute CIC0 numeric
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@attribute CATS2D_02_DL numeric
@attribute CATS2D_08_LL numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMax2_Bh.e. numeric
@attribute ATSC2v numeric
@attribute ATSC5v numeric
@attribute H.049 numeric
@attribute nH numeric
@attribute ATSC1m numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMin3_Bh.p. numeric
@attribute ATSC1v numeric
@attribute SpMax4_Bh.p. numeric
@attribute SM04_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SM08_EA.dm. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
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@attribute SpDiam_EA.dm. numeric
@attribute NRS numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.m. numeric
@attribute ATSC6v numeric
@attribute X1Per numeric
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@attribute X1MulPer numeric
@attribute SpMin3_Bh.s. numeric
@attribute SM10_EA.dm. numeric
@attribute SpMin2_Bh.v. numeric
@attribute ATS2i numeric
@attribute SpMin5_Bh.v. numeric
@attribute ON1V numeric
@attribute ATSC8v numeric
@attribute X1Kup numeric
@attribute ATS1e numeric
@attribute Si numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute ATS1i numeric
@attribute Hy numeric
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@attribute ATS4i numeric
@attribute SpMin8_Bh.i. numeric
@attribute CATS2D_07_DA numeric
@attribute SpMin4_Bh.m. numeric
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@attribute ATS3e numeric
@attribute pXC50 numeric

@data
{1 2,7 39.965,10 1,11 1,12 8.824,14 0.766,15 3.744,16 1.902,17 8.97,18 2,19 4,20 1.928,21 1.925,22 3.902,23 7.342,24 9.967,25 2,26 16,27 7.483,28 3.916,29 1.923,30 4.237,31 3.526,32 5.027,33 7.185,34 3.882,35 9.348,36 1.921,37 3.847,38 1.429,39 4.722,40 5.9,41 4,42 3.494,43 1.602,44 0.336,45 1.259,46 9.636,47 6.652,48 4,49 8.007,50 0.975,51 11.511,52 2.009,53 4.468,54 1.481,55 2.38,56 10.966,57 8.367,58 3.876,59 47.87,60 13.675,61 15.838,62 3.969,63 -0.346,64 46,65 4.762,66 0.821,67 1,68 1.552,69 19.434,70 4.56,71 5.2}
{0 CHEMBL101253,1 2,7 41.397,10 1,11 1,12 9.299,14 0.604,15 3.826,16 1.847,17 8.915,18 3,19 8,20 1.939,21 1.872,22 3.883,23 6.527,24 8.142,25 2,26 15,27 5.871,28 3.913,29 1.929,30 3.852,31 3.24,32 0.391,33 0.187,34 3.826,35 0.089,36 1.943,37 3.818,38 1.354,39 4.697,40 1.36,41 3,42 3.253,43 1.499,44 0.218,45 1.181,46 7.282,47 6.399,48 4,49 7.714,50 1.033,51 0.042,52 1.974,53 4.398,54 1.378,55 2.316,56 8.711,57 7.92,58 3.803,59 44.428,60 0.019,61 0.009,62 3.913,63 -0.356,64 43,65 4.732,66 0.803,68 1.52,69 19.99,70 4.511,71 5.1}
{0 CHEMBL101311,1 1,3 1,4 -0.547,7 56.79,8 1,10 3,11 3,12 14.354,14 0.788,15 3.998,16 1.853,17 11.89,18 4,19 2,20 1.905,21 1.874,22 3.896,23 9.206,24 11.529,25 1,26 23,27 9.415,28 3.919,29 1.903,30 5.563,31 3.503,32 0.977,33 0.74,34 3.824,35 0.571,36 1.894,37 3.824,38 1.654,39 4.985,40 1.72,41 3,42 3.512,43 1.493,44 0.469,45 1.417,46 12.098,47 7.372,48 9,49 8.837,50 1.054,51 0.439,52 1.972,53 4.741,54 1.627,55 2.82,56 10.461,57 9.17,58 4.07,59 59.95,60 0.334,61 0.252,62 4.188,63 0.933,64 55,65 5.112,66 0.827,68 1.786,69 37.578,70 4.801,71 5.9}
{0 CHEMBL103667,7 101.402,10 2,11 2,12 24.524,14 1.145,15 4.772,16 1.894,17 20.619,18 3,19 12,20 1.977,21 1.925,22 4.037,23 16.193,24 21.162,26 37,27 17.099,28 4.073,29 1.982,30 9.626,31 3.586,32 2.627,33 3.315,34 3.922,35 4.177,36 1.992,37 3.933,38 1.735,39 5.428,40 2.912,41 4,42 3.601,43 1.537,44 0.825,45 1.645,46 18.535,47 10.687,48 8,49 12.824,50 1.211,51 5.117,52 2.033,53 5.161,54 1.73,55 4.573,56 23.357,57 13.293,58 4.416,59 85.763,60 6.093,61 7.084,62 4.543,63 0.111,64 80,65 5.615,66 1.154,67 1,68 1.955,69 49.157,70 5.224,71 5.2}
{0 CHEMBL105442,4 0.452,6 1,7 48.297,8 1,10 2,11 2,12 7.529,14 0.825,15 3.302,16 1.809,17 8.732,18 3,19 3,20 1.68,21 1.823,22 3.897,23 6.332,24 5.258,26 14,27 0.871,28 3.945,29 1.699,30 3.508,31 3.381,32 3.697,33 5.14,34 3.851,35 6.612,36 1.676,37 3.8,38 1.153,39 4.69,40 4.191,41 3,42 3.15,43 1.651,44 0.252,45 1.163,46 6.804,47 6.016,48 6,49 7.35,50 1.015,51 8.09,52 1.896,53 4.4,54 1.385,55 2.282,56 7.243,57 7.543,58 3.792,59 44.081,60 9.57,61 11.049,62 3.884,63 0.352,64 41,65 4.655,66 0.702,68 1.513,69 46.152,70 4.519,71 5}
{0 CHEMBL1076721,1 2,7 37.515,10 2,11 2,12 5.614,14 0.529,15 3.438,16 1.772,17 5.641,19 4,20 1.645,21 1.812,22 3.851,23 4.768,24 5.54,25 2,26 13,27 5.67,28 3.894,29 1.708,30 3.102,31 2.959,32 0.739,33 0.593,34 3.735,35 0.469,36 1.58,37 3.744,38 1.259,39 4.417,40 1.72,41 3,42 2.972,43 1.477,44 0.218,45 1.181,46 5.051,47 5.226,48 4,49 6.242,50 0.604,51 0.366,52 1.949,53 4.259,54 1.418,55 1.826,56 4.956,57 6.379,58 3.697,59 39.571,60 0.283,61 0.217,62 3.807,63 0.393,64 37,65 4.427,66 0.617,67 3,68 1.485,69 13.046,70 4.249,71 5.398}
{0 CHEMBL1077670,4 0.522,6 1,7 38.322,8 1,10 2,11 2,12 7.601,14 0.469,15 3.337,16 1.491,17 6.84,20 1.695,21 1.543,22 3.714,23 5.965,24 6.118,26 15,27 7.127,28 3.768,29 1.691,30 3.566,31 2.844,34 3.501,36 1.619,37 3.509,38 1.144,39 4.413,41 2,42 2.835,43 1.509,44 0.153,45 1.076,46 6.944,47 4.164,48 3,49 4.86,50 0.722,52 1.73,53 4.271,54 1.308,55 1.858,56 4.288,57 5.095,58 3.549,59 35.777,62 3.695,63 0.573,64 32,65 4.642,66 0.426,68 1.417,69 18.901,70 4.179,71 5.481}
{0 CHEMBL1078155,7 9.128,10 2,11 2,12 6.776,14 0.569,15 3.492,16 1.814,17 6.08,19 1,20 1.697,21 1.839,22 3.839,23 5.263,24 7.105,26 13,27 5.715,28 3.863,29 1.73,30 3.125,31 3.099,32 0.739,33 0.593,34 3.766,35 0.469,36 1.601,37 3.765,38 1.206,39 4.492,40 1.72,41 3,42 3.132,43 1.53,44 0.193,45 1.143,46 7.248,47 5.582,48 3,49 6.704,50 0.661,51 0.366,52 1.94,53 4.334,54 1.429,55 1.951,56 6.625,57 6.84,58 3.751,59 40.571,60 0.283,61 0.217,62 3.856,63 0.364,64 39,65 4.581,66 0.736,68 1.558,69 14.332,70 4.325,71 5.301}
{0 CHEMBL1078245,7 9.128,10 2,11 2,12 6.64,14 0.564,15 3.492,16 1.814,17 6.08,20 1.699,21 1.839,22 3.84,23 5.263,24 7.597,26 13,27 5.715,28 3.863,29 1.732,30 3.125,31 3.108,32 0.739,33 0.593,34 3.766,35 0.469,36 1.605,37 3.765,38 1.213,39 4.492,40 1.72,41 3,42 3.141,43 1.529,44 0.218,45 1.181,46 7.531,47 5.581,48 3,49 6.705,50 0.663,51 0.366,52 1.94,53 4.334,54 1.417,55 1.951,56 5.959,57 6.84,58 3.751,59 40.571,60 0.283,61 0.217,62 3.856,63 0.364,64 39,65 4.581,66 0.798,68 1.549,69 14.331,70 4.325,71 5.678}
{0 CHEMBL1078426,7 9.128,10 2,11 2,12 5.58,14 0.293,15 3.383,16 1.812,17 5.842,19 1,20 1.693,21 1.842,22 3.824,23 4.567,24 5.088,26 11,27 4.785,28 3.856,29 1.722,30 2.629,31 3.09,34 3.764,36 1.591,37 3.756,38 1.143,39 4.427,41 3,42 3.12,43 1.523,44 0.193,45 1.139,46 6.006,47 5.206,48 2,49 6.269,50 0.659,52 1.941,53 4.197,54 1.204,55 1.799,56 5.469,57 6.359,58 3.638,59 35.947,62 3.748,63 0.378,64 35,65 4.454,66 0.678,68 1.31,69 12.48,70 4.238,71 6.229}
{0 CHEMBL1078427,7 40.187,10 2,11 2,12 4.933,14 0.292,15 3.416,16 1.825,17 5.349,19 1,20 1.693,21 1.851,22 3.849,23 4.076,24 4.445,26 10,27 4.002,28 3.878,29 1.724,30 2.274,31 3.091,32 3.563,33 4.962,34 3.791,35 6.378,36 1.591,37 3.788,38 1.149,39 4.446,40 4.069,41 3,42 3.12,43 1.622,44 0.188,45 1.142,46 5.379,47 5.513,48 2,49 6.644,50 0.659,51 7.797,52 1.943,53 4.211,54 1.275,55 1.863,56 5.388,57 6.742,58 3.67,59 37.03,60 9.217,61 10.638,62 3.773,63 0.364,64 36,65 4.507,66 0.71,68 1.311,69 11.288,70 4.274,71 6.092}
{0 CHEMBL1078537,7 40.187,10 2,11 2,12 5.128,14 0.291,15 3.416,16 1.826,17 5.271,19 1,20 1.696,21 1.852,22 3.853,23 4.076,24 4.47,26 10,27 4.002,28 3.881,29 1.728,30 2.274,31 3.126,32 3.563,33 4.962,34 3.795,35 6.378,36 1.591,37 3.792,38 1.176,39 4.447,40 4.069,41 3,42 3.158,43 1.623,44 0.186,45 1.141,46 5.454,47 5.505,48 2,49 6.635,50 0.659,51 7.797,52 1.944,53 4.211,54 1.267,55 1.856,56 5.409,57 6.736,58 3.67,59 37.03,60 9.217,61 10.638,62 3.773,63 0.364,64 36,65 4.51,66 0.693,68 1.313,69 11.73,70 4.274,71 5.602}
{0 CHEMBL1078538,7 40.187,10 2,11 2,12 5.049,14 0.284,15 3.416,16 1.827,17 5.271,19 1,20 1.697,21 1.853,22 3.854,23 4.076,24 4.665,26 10,27 4.002,28 3.882,29 1.73,30 2.274,31 3.146,32 3.563,33 4.962,34 3.796,35 6.378,36 1.591,37 3.793,38 1.192,39 4.447,40 4.069,41 3,42 3.178,43 1.621,44 0.191,45 1.16,46 5.478,47 5.504,48 2,49 6.635,50 0.659,51 7.797,52 1.944,53 4.211,54 1.255,55 1.856,56 5.385,57 6.736,58 3.67,59 37.03,60 9.217,61 10.638,62 3.773,63 0.364,64 36,65 4.511,66 0.795,68 1.318,69 11.609,70 4.274,71 5.602}
{0 CHEMBL1078539,7 9.128,10 2,11 2,12 6.283,14 0.574,15 3.492,16 1.814,17 6.216,19 1,20 1.694,21 1.839,22 3.838,23 5.263,24 6.822,26 13,27 5.715,28 3.862,29 1.725,30 3.125,31 3.09,32 0.739,33 0.593,34 3.765,35 0.469,36 1.592,37 3.764,38 1.198,39 4.492,40 1.72,41 3,42 3.12,43 1.529,44 0.193,45 1.145,46 8.443,47 5.591,48 3,49 6.713,50 0.66,51 0.366,52 1.94,53 4.334,54 1.44,55 1.958,56 7.152,57 6.846,58 3.751,59 40.571,60 0.283,61 0.217,62 3.856,63 0.364,64 39,65 4.582,66 0.75,67 1,68 1.572,69 14.278,70 4.326,71 5.886}
{0 CHEMBL1078717,7 9.128,10 2,11 2,12 4.206,14 0.204,15 2.934,16 1.557,17 4.121,20 1.545,21 1.609,22 3.769,23 3.596,24 3.774,26 9,27 4.036,28 3.808,29 1.576,30 2.072,31 2.825,34 3.533,36 1.488,37 3.576,38 1.006,39 4.1,41 2,42 2.824,43 1.534,45 1.017,46 3.611,47 3.809,48 1,49 4.56,50 0.478,52 1.793,53 4.006,54 1.14,55 1.338,56 1.382,57 4.664,58 3.406,59 28.531,62 3.527,63 0.573,64 27,65 4.217,66 0.073,68 1.215,69 10.085,70 3.921,71 5.481}
{0 CHEMBL1078820,4 0.715,6 1,7 18.837,8 1,10 2,11 2,12 8.137,14 0.52,15 3.529,16 1.824,17 8.787,19 1,20 1.74,21 1.865,22 3.854,23 6.942,24 7.332,26 15,27 7.101,28 3.908,29 1.769,30 3.871,31 3.132,34 3.758,36 1.649,37 3.742,38 1.211,39 4.64,41 3,42 3.159,43 1.497,44 0.217,45 1.079,46 8.214,47 5.512,48 3,49 6.672,50 0.83,52 1.984,53 4.39,54 1.29,55 2.238,56 6.434,57 6.762,58 3.708,59 39.777,62 3.834,63 0.41,64 38,65 4.665,66 0.455,68 1.433,69 18.659,70 4.401,71 6.18}
{0 CHEMBL1078929,3 1,4 0.442,6 4,7 21.801,8 1,10 2,11 2,12 10.8,14 0.825,15 3.676,16 1.789,17 11.013,19 1,20 1.718,21 1.836,22 3.807,23 8.183,24 9.674,26 17,27 8.081,28 3.863,29 1.745,30 4.429,31 3.127,34 3.704,36 1.629,37 3.688,38 1.215,39 4.844,41 3,42 3.149,43 1.523,44 0.234,45 1.236,46 10.142,47 5.962,48 2,49 7.208,50 0.857,52 1.967,53 4.498,54 1.429,55 2.538,56 7.598,57 7.298,58 3.777,59 43.192,62 3.906,63 0.378,64 41,65 4.865,66 0.788,68 1.513,69 22.985,70 4.593,71 6.143}
{0 CHEMBL1078930,4 0.734,6 1,7 16.303,8 1,10 2,11 2,12 6.545,14 0.633,15 3.369,16 1.583,17 7.052,20 1.577,21 1.633,22 3.858,23 5.826,24 6.201,26 13,27 6.097,28 3.909,29 1.595,30 3.305,31 3.11,34 3.765,36 1.524,37 3.75,38 1.153,39 4.481,41 3,42 3.14,43 1.526,44 0.196,45 1.112,46 7.082,47 5.095,48 3,49 6.181,50 0.825,52 1.805,53 4.281,54 1.369,55 1.988,56 4.811,57 6.262,58 3.635,59 36.362,62 3.758,63 0.445,64 35,65 4.514,66 0.531,68 1.513,69 15.443,70 4.254,71 6.444}
{0 CHEMBL1079032,3 1,4 0.385,6 4,7 16.731,8 1,10 3,11 3,12 6.952,14 0.325,15 3.328,16 1.785,17 7.043,18 2,20 1.686,21 1.824,22 3.793,23 5.836,24 6.681,26 13,27 6.101,28 3.845,29 1.713,30 3.188,31 3.054,34 3.692,36 1.584,37 3.679,38 1.11,39 4.558,41 3,42 3.095,43 1.511,44 0.195,45 1.079,46 7.318,47 5.218,48 2,49 6.354,50 0.675,52 1.947,53 4.311,54 1.19,55 2.032,56 4.583,57 6.417,58 3.677,59 37.571,62 3.791,63 1.201,64 36,65 4.553,66 0.455,67 1,68 1.286,69 15.53,70 4.342,71 5.658}
{0 CHEMBL1079040,4 0.484,6 1,7 28.884,8 1,10 2,11 2,12 8.675,14 0.469,15 3.48,16 1.672,17 8.028,20 1.7,21 1.73,22 3.769,23 6.554,24 7.137,26 15,27 7.055,28 3.808,29 1.716,30 3.75,31 3.081,34 3.565,36 1.616,37 3.584,38 1.159,39 4.554,41 2,42 3.106,43 1.524,44 0.203,45 1.187,46 8.285,47 4.989,48 3,49 5.905,50 0.722,52 1.909,53 4.341,54 1.308,55 2.071,56 5.732,57 6.101,58 3.658,59 38.777,62 3.79,63 0.445,64 36,65 4.73,66 0.644,68 1.417,69 20.441,70 4.333,71 6.032}
{0 CHEMBL1079135,3 1,4 0.466,6 4,7 25.557,8 1,10 2,11 2,12 8.508,14 0.578,15 3.529,16 1.801,17 8.148,19 1,20 1.686,21 1.846,22 3.801,23 6.955,24 7.725,26 15,27 7.101,28 3.853,29 1.713,30 3.871,31 3.176,34 3.706,36 1.591,37 3.692,38 1.234,39 4.598,41 3,42 3.195,43 1.509,44 0.269,45 1.098,46 8.058,47 5.437,48 2,49 6.565,50 0.719,52 1.978,53 4.393,54 1.409,55 2.232,56 6.281,57 6.709,58 3.708,59 39.777,62 3.834,63 0.41,64 38,65 4.653,66 0.455,68 1.523,69 18.005,70 4.373,71 5.481}
{0 CHEMBL1079208,3 1,4 0.239,6 6,7 26.778,8 1,10 2,11 2,12 7.467,14 0.469,15 3.314,16 1.637,17 6.402,20 1.644,21 1.694,22 3.769,23 5.606,24 6.677,26 13,27 6.074,28 3.808,29 1.656,30 3.199,31 2.997,34 3.545,36 1.564,37 3.58,38 1.076,39 4.441,41 2,42 3.016,43 1.538,44 0.184,45 1.09,46 7.248,47 4.589,48 2,49 5.463,50 0.615,52 1.876,53 4.24,54 1.308,55 1.871,56 3.939,57 5.636,58 3.581,59 35.362,62 3.71,63 0.483,64 33,65 4.54,66 0.493,68 1.417,69 15.914,70 4.223,71 5.721}
{0 CHEMBL1079243,4 0.475,6 1,7 29.497,8 1,10 2,11 2,12 9.758,14 0.521,15 3.676,16 1.702,17 9.291,19 5,20 1.696,21 1.764,22 3.836,23 7.368,24 7.64,26 17,27 7.937,28 3.871,29 1.71,30 4.293,31 3.306,34 3.707,36 1.626,37 3.72,38 1.336,39 4.645,41 3,42 3.335,43 1.508,44 0.373,45 1.303,46 8.513,47 5.535,48 4,49 6.537,50 0.755,52 1.959,53 4.427,54 1.403,55 2.282,56 7.892,57 6.756,58 3.754,59 43.192,62 3.885,63 0.378,64 40,65 4.816,66 0.778,68 1.49,69 22.253,70 4.423,71 5.481}
{0 CHEMBL1079293,3 1,4 0.489,6 4,7 14.197,8 1,10 2,11 2,12 5.193,14 0.53,15 3.196,16 1.548,17 5.551,20 1.503,21 1.594,22 3.779,23 4.827,24 5.359,26 11,27 5.069,28 3.831,29 1.557,30 2.729,31 3.029,34 3.684,36 1.513,37 3.671,38 1.153,39 4.349,41 3,42 3.057,43 1.541,44 0.169,45 1.052,46 5.847,47 4.712,48 2,49 5.738,50 0.825,52 1.757,53 4.174,54 1.288,55 1.788,56 3.351,57 5.798,58 3.556,59 32.947,62 3.675,63 0.483,64 32,65 4.327,66 0.429,68 1.426,69 11.216,70 4.129,71 6.347}
{0 CHEMBL1079294,3 1,4 0.471,6 4,7 16.731,8 1,10 2,11 2,12 6.679,14 0.325,15 3.369,16 1.786,17 7.277,20 1.686,21 1.829,22 3.791,23 5.957,24 6.535,26 13,27 6.097,28 3.845,29 1.713,30 3.305,31 3.052,34 3.693,36 1.585,37 3.678,38 1.111,39 4.532,41 3,42 3.081,43 1.501,44 0.196,45 1.079,46 7.393,47 5.129,48 2,49 6.228,50 0.679,52 1.955,53 4.294,54 1.184,55 2.038,56 4.688,57 6.298,58 3.635,59 36.362,62 3.758,63 0.445,64 35,65 4.495,66 0.455,68 1.294,69 14.761,70 4.297,71 6.745}
{0 CHEMBL1079295,3 1,4 0.452,6 4,7 19.266,8 1,10 2,11 2,12 8.629,14 0.632,15 3.529,16 1.626,17 9.469,20 1.793,21 1.677,22 3.8,23 7.204,24 7.735,26 15,27 7.101,28 3.855,29 1.751,30 3.871,31 3.08,34 3.699,36 1.836,37 3.683,38 1.429,39 4.731,41 3,42 3.109,43 1.527,44 0.187,45 1.089,46 8.997,47 5.546,48 2,49 6.718,50 1.055,52 1.843,53 4.414,54 1.394,55 2.288,56 6.025,57 6.798,58 3.708,59 39.777,62 3.834,63 0.41,64 38,65 4.694,66 0.497,68 1.554,69 19.173,70 4.483,71 6.469}
{0 CHEMBL1079921,1 1,4 0.172,7 63.792,8 1,10 2,11 2,12 18.668,14 0.982,15 4.301,16 1.919,17 16.783,18 3,19 8,20 1.938,21 1.933,22 3.974,23 12.218,24 16.411,25 1,26 27,27 12.608,28 3.998,29 1.926,30 7.152,31 3.536,32 1.622,33 1.587,34 3.9,35 1.592,36 1.945,37 3.902,38 1.601,39 5.158,40 2.117,41 3,42 3.538,43 1.534,44 0.645,45 1.539,46 15.231,47 8.862,48 7,49 10.684,50 1.16,51 1.624,52 1.996,53 4.924,54 1.66,55 3.585,56 12.02,57 11.065,58 4.199,59 67.398,60 1.676,61 1.742,62 4.318,63 0.192,64 64,65 5.312,66 1.114,67 1,68 1.755,69 44.253,70 4.964,71 8.699}
{0 CHEMBL1080071,3 1,4 0.426,6 4,7 16.731,8 1,10 4,11 4,12 7.694,14 0.325,15 3.439,16 1.788,17 7.48,18 2,20 1.686,21 1.832,22 3.796,23 6.302,24 7.215,26 14,27 6.701,28 3.85,29 1.713,30 3.408,31 3.084,34 3.695,36 1.585,37 3.683,38 1.122,39 4.587,41 3,42 3.122,43 1.509,44 0.195,45 1.092,46 7.654,47 5.282,48 2,49 6.412,50 0.677,52 1.963,53 4.348,54 1.315,55 2.065,56 5.193,57 6.488,58 3.697,59 38.86,62 3.83,63 2.026,64 37,65 4.611,66 0.455,67 1,68 1.313,69 16.82,70 4.357,71 7.071}
{0 CHEMBL1080072,3 1,4 0.425,6 4,7 16.731,8 1,10 2,11 2,12 7.9,14 0.571,15 3.487,16 1.787,17 7.555,20 1.686,21 1.826,22 3.795,23 6.526,24 8.567,26 15,27 7.033,28 3.846,29 1.713,30 3.766,31 3.104,32 0.739,33 0.593,34 3.693,35 0.469,36 1.589,37 3.681,38 1.208,39 4.591,40 1.72,41 3,42 3.145,43 1.514,44 0.3,45 1.103,46 8.429,47 5.505,48 3,49 6.663,50 0.68,51 0.366,52 1.953,53 4.419,54 1.424,55 2.19,56 5.265,57 6.779,58 3.748,59 40.986,60 0.283,61 0.217,62 3.865,63 0.425,64 39,65 4.618,66 0.511,68 1.564,69 16.782,70 4.379,71 6.027}
{0 CHEMBL1080073,3 1,4 0.343,6 4,7 16.731,8 1,10 2,11 2,12 7.519,14 0.58,15 3.515,16 1.8,17 7.831,20 1.686,21 1.841,22 3.807,23 6.607,24 7.918,26 15,27 6.74,28 3.853,29 1.713,30 3.745,31 3.207,32 2.817,33 3.808,34 3.705,35 4.825,36 1.597,37 3.696,38 1.284,39 4.632,40 3.349,41 3,42 3.259,43 1.558,44 0.325,45 1.124,46 9.425,47 5.864,48 4,49 7.101,50 0.684,51 5.851,52 1.965,53 4.46,54 1.427,55 2.294,56 5.545,57 7.22,58 3.802,59 43.196,60 6.88,61 7.91,62 3.91,63 0.407,64 41,65 4.696,66 0.618,68 1.581,69 18.216,70 4.432,71 5.481}
{0 CHEMBL1080245,3 1,4 0.373,6 4,7 43.567,8 1,10 3,11 3,12 8.793,14 0.671,15 3.593,16 1.793,17 7.975,18 3,20 1.698,21 1.837,22 3.804,23 7.193,24 8.62,26 16,27 7.39,28 3.856,29 1.714,30 3.955,31 3.31,32 2.904,33 4.037,34 3.699,35 5.25,36 1.702,37 3.688,38 1.447,39 4.716,40 3.306,41 3,42 3.341,43 1.535,44 0.323,45 1.127,46 9.686,47 5.988,48 3,49 7.248,50 0.726,51 6.501,52 1.972,53 4.488,54 1.427,55 2.399,56 5.986,57 7.382,58 3.818,59 44.485,60 7.771,61 9.051,62 3.944,63 1.118,64 42,65 4.719,66 0.57,67 1,68 1.584,69 18.537,70 4.497,71 5.481}
{0 CHEMBL1080279,1 1,7 41.35,10 1,11 1,12 16.848,14 0.782,15 4.174,16 1.885,17 13.623,18 1,19 7,20 1.902,21 1.911,22 3.933,23 10.341,24 15.029,25 1,26 25,27 11.538,28 3.964,29 1.897,30 6.486,31 3.49,32 1.885,33 2.009,34 3.854,35 2.227,36 1.894,37 3.853,38 1.468,39 4.967,40 2.335,41 3,42 3.503,43 1.523,44 0.618,45 1.542,46 14.09,47 7.937,48 8,49 9.477,50 1.087,51 2.502,52 1.996,53 4.831,54 1.622,55 3.112,56 14.551,57 9.898,58 4.124,59 62.982,60 2.817,61 3.157,62 4.243,63 -0.329,64 59,65 5.2,66 1.107,67 1,68 1.658,69 35.475,70 4.791,71 8.456}
{0 CHEMBL1080902,7 19.42,10 2,11 2,12 7.291,14 0.573,15 3.656,16 1.847,17 6.805,19 7,20 1.65,21 1.871,22 3.892,23 6.09,24 7.841,26 16,27 7.137,28 3.916,29 1.713,30 3.932,31 2.979,32 1.159,33 0.963,34 3.812,35 0.787,36 1.581,37 3.814,38 1.259,39 4.531,40 1.72,41 3,42 2.998,43 1.488,44 0.221,45 1.301,46 6.55,47 5.737,48 5,49 6.832,50 0.605,51 0.634,52 1.975,53 4.402,54 1.531,55 2.068,56 6.116,57 7.028,58 3.818,59 45.113,60 0.504,61 0.395,62 3.921,63 0.337,64 42,65 4.593,66 0.821,67 1,68 1.571,69 16.08,70 4.376,71 5.398}
{0 CHEMBL1080970,3 1,4 0.404,6 4,7 16.731,8 1,10 3,11 3,12 8.301,14 0.559,15 3.487,16 1.8,17 8.332,18 1,20 1.686,21 1.844,22 3.802,23 6.718,24 7.985,26 15,27 7.111,28 3.853,29 1.713,30 3.759,31 3.177,32 0.521,33 0.336,34 3.705,35 0.21,36 1.587,37 3.693,38 1.218,39 4.639,40 1.529,41 3,42 3.207,43 1.513,44 0.263,45 1.098,46 8.209,47 5.567,48 3,49 6.774,50 0.716,51 0.128,52 1.974,53 4.408,54 1.408,55 2.207,56 6.087,57 6.857,58 3.748,59 40.986,60 0.077,61 0.046,62 3.865,63 1.156,64 39,65 4.675,66 0.455,68 1.449,69 18.245,70 4.417,71 5.481}
{0 CHEMBL1080994,1 2,7 105.841,10 2,11 2,12 20.507,14 1.004,15 4.411,16 1.948,17 17.625,18 7,19 9,20 1.978,21 1.966,22 4.09,23 12.47,24 19.987,25 2,26 28,27 15.177,28 4.087,29 1.973,30 7.312,31 3.66,32 3.579,33 4.964,34 4.038,35 6.378,36 1.965,37 3.997,38 1.754,39 5.239,40 4.069,41 4,42 3.648,43 1.593,44 0.708,45 1.545,46 17.718,47 9.6,48 6,49 11.559,50 1.16,51 7.797,52 2.063,53 4.983,54 1.707,55 3.782,56 17.368,57 12.029,58 4.274,59 72.896,60 9.217,61 10.638,62 4.386,63 0.162,64 69,65 5.448,66 1.085,68 1.889,69 47.795,70 5.061,71 4.301}
{0 CHEMBL1080995,1 1,7 108.376,10 2,11 2,12 21.801,14 1.058,15 4.494,16 1.95,17 18.327,18 7,19 11,20 1.984,21 1.967,22 4.091,23 13.521,24 21.816,25 1,26 30,27 16.22,28 4.088,29 1.981,30 7.881,31 3.663,32 3.579,33 4.964,34 4.038,35 6.378,36 1.968,37 3.998,38 1.756,39 5.279,40 4.069,41 4,42 3.649,43 1.598,44 0.713,45 1.552,46 19.911,47 9.917,48 6,49 11.921,50 1.165,51 7.797,52 2.067,53 5.033,54 1.708,55 3.994,56 20.698,57 12.456,58 4.313,59 76.311,60 9.217,61 10.638,62 4.428,63 0.149,64 72,65 5.489,66 1.161,68 1.916,69 49.375,70 5.1,71 4.301}
{0 CHEMBL1081196,1 1,6 3,7 44.945,10 1,11 1,12 12.182,14 0.659,15 3.931,16 1.885,17 10.944,18 1,19 9,20 1.827,21 1.91,22 3.93,23 8.587,24 12.655,25 1,26 20,27 8.955,28 3.96,29 1.823,30 5.242,31 3.424,32 1.812,33 1.972,34 3.854,35 2.208,36 1.838,37 3.852,38 1.413,39 4.804,40 2.335,41 3,42 3.439,43 1.527,44 0.563,45 1.468,46 11.373,47 7.173,48 6,49 8.604,50 0.995,51 2.493,52 1.996,53 4.644,54 1.55,55 2.862,56 10.05,57 8.935,58 3.981,59 53.654,60 2.812,61 3.155,62 4.089,63 -0.323,64 51,65 4.911,66 1.026,67 1,68 1.581,69 25.462,70 4.631,71 6.745}
{0 CHEMBL1081312,1 1,3 1,4 0.388,6 4,7 52.554,8 1,10 3,11 3,12 9.404,14 0.852,15 3.869,16 1.743,17 10.536,18 3,19 4,20 1.793,21 1.789,22 4.024,23 7.983,24 8.266,25 2,26 17,27 7.957,28 4.075,29 1.791,30 4.265,31 3.256,34 3.873,36 1.86,37 3.895,38 1.577,39 4.878,41 3,42 3.27,43 1.537,44 0.364,45 1.286,46 8.497,47 6.597,48 2,49 8.011,50 1.107,52 1.955,53 4.584,54 1.686,55 2.626,56 9.737,57 8.12,58 3.866,59 46.564,62 4.003,63 1.039,64 45,65 4.859,66 0.695,67 1,68 1.746,69 21.926,70 4.643,71 6.7}
{0 CHEMBL1082061,4 0.413,6 1,7 60.556,8 1,10 2,11 2,12 6.88,14 0.469,15 3.164,16 1.476,17 6.113,20 1.631,21 1.52,22 3.714,23 4.935,24 4.907,26 12,27 5.463,28 3.767,29 1.646,30 2.801,31 2.855,32 3.563,33 4.962,34 3.501,35 6.378,36 1.554,37 3.509,38 1.132,39 4.346,40 4.069,41 2,42 2.894,43 1.658,45 1.065,46 5.279,47 4.163,48 3,49 4.887,50 0.511,51 7.797,52 1.696,53 4.172,54 1.308,55 1.721,56 1.909,57 5.062,58 3.5,59 33.445,60 9.217,61 10.638,62 3.636,63 0.584,64 30,65 4.56,66 0.424,67 1,68 1.417,69 17.697,70 4.122,71 5.481}
{0 CHEMBL1082439,1 1,3 1,4 0.667,6 2,7 75.611,8 2,10 4,11 4,12 15.572,14 0.757,15 4.026,16 1.765,17 12.977,18 2,19 5,20 1.891,21 1.796,22 3.819,23 10.43,24 13.741,25 1,26 22,27 10.511,28 3.873,29 1.86,30 5.79,31 3.346,32 0.138,33 0.039,34 3.694,35 0.011,36 1.848,37 3.696,38 1.45,39 4.839,40 1.043,41 2,42 3.324,43 1.522,44 0.469,45 1.417,46 14.046,47 6.277,48 4,49 7.435,50 0.966,51 0.003,52 1.938,53 4.587,54 1.529,55 2.717,56 10.022,57 7.849,58 3.88,59 50.65,60 0.001,62 4.017,63 1.779,64 47,65 5.012,66 0.804,68 1.671,69 33.242,70 4.629,71 5.854}
{0 CHEMBL1082440,1 2,2 1,3 1,4 -0.051,6 3,7 64.126,8 1,10 1,11 1,12 15.481,13 1,14 0.781,15 3.791,16 1.718,17 13.579,18 1,20 1.872,21 1.738,22 3.886,23 9.593,24 14.446,25 2,26 21,27 12.495,28 3.927,29 1.853,30 5.588,31 3.32,32 0.097,33 0.016,34 3.778,35 0.003,36 1.888,37 3.734,38 1.483,39 4.939,40 0.8,41 2,42 3.298,43 1.536,44 0.536,45 1.409,46 12.306,47 6.028,48 2,49 7.241,50 1.174,52 1.936,53 4.629,54 1.528,55 2.674,56 12.214,57 7.607,58 3.852,59 48.571,62 3.966,63 -0.265,64 45,65 5.139,66 0.619,68 1.691,69 42.807,70 4.74,71 7.462}
{0 CHEMBL1082757,1 1,7 32.823,10 2,11 2,12 12.189,14 0.73,15 3.767,16 1.847,17 9.616,19 6,20 1.921,21 1.867,22 3.933,23 7.876,24 10.654,25 1,26 16,27 6.138,28 3.958,29 1.922,30 4.277,31 3.381,32 5.422,33 8.058,34 3.876,35 10.734,36 1.847,37 3.869,38 1.451,39 4.726,40 5.335,41 3,42 3.362,43 1.538,44 0.282,45 1.261,46 11.263,47 6.808,48 3,49 8.258,50 0.963,51 13.416,52 1.955,53 4.56,54 1.425,55 2.497,56 8.195,57 8.536,58 3.906,59 49.756,60 16.1,61 18.783,62 4.007,63 0.247,64 47,65 4.905,66 0.805,68 1.662,69 28.603,70 4.575,71 5.033}
{0 CHEMBL1082758,1 1,7 25.063,10 3,11 3,12 12.494,14 0.717,15 3.826,16 1.828,17 9.736,18 2,19 4,20 1.915,21 1.848,22 3.903,23 8.082,24 10.708,25 1,26 17,27 7.714,28 3.928,29 1.909,30 4.412,31 3.37,32 0.356,33 0.18,34 3.848,35 0.087,36 1.846,37 3.839,38 1.45,39 4.671,40 1.36,41 3,42 3.348,43 1.515,44 0.278,45 1.261,46 11.64,47 6.386,48 3,49 7.685,50 0.959,51 0.041,52 1.947,53 4.448,54 1.384,55 2.378,56 8.382,57 8.004,58 3.848,59 46.531,60 0.019,61 0.009,62 3.951,63 0.926,64 45,65 4.792,66 0.805,68 1.661,69 26.736,70 4.515,71 5.538}
{0 CHEMBL1083072,1 1,7 40.539,10 4,11 4,12 10.75,14 0.691,15 3.725,16 1.822,17 8.376,18 6,19 3,20 1.915,21 1.844,22 3.893,23 7.238,24 9.395,25 1,26 16,27 7.243,28 3.921,29 1.909,30 3.942,31 3.328,32 0.05,33 0.008,34 3.818,35 0.001,36 1.844,37 3.816,38 1.446,39 4.65,40 0.8,41 3,42 3.311,43 1.511,44 0.237,45 1.217,46 10.392,47 6.23,48 3,49 7.491,50 0.958,52 1.946,53 4.415,54 1.321,55 2.253,56 7.945,57 7.78,58 3.838,59 45.614,62 3.946,63 1.736,64 44,65 4.716,66 0.787,67 1,68 1.652,69 24.617,70 4.487,71 6}
{0 CHEMBL1083073,1 1,3 1,4 -0.22,7 55.426,8 1,10 4,11 4,12 13.624,14 0.708,15 3.972,16 1.831,17 11.037,18 2,19 4,20 1.918,21 1.851,22 3.914,23 9.118,24 14.486,25 1,26 20,27 9.262,28 3.938,29 1.914,30 5.14,31 3.381,32 1.416,33 1.449,34 3.854,35 1.559,36 1.846,37 3.847,38 1.451,39 4.772,40 2.012,41 3,42 3.365,43 1.53,44 0.546,45 1.434,46 13.857,47 6.836,48 4,49 8.2,50 0.96,51 1.72,52 1.949,53 4.586,54 1.55,55 2.564,56 11.242,57 8.558,58 3.955,59 52.444,60 1.918,61 2.141,62 4.07,63 1.661,64 50,65 4.922,66 0.811,68 1.663,69 29.026,70 4.613,71 5.444}
{0 CHEMBL1083074,1 1,3 1,4 -0.302,7 55.426,8 1,10 5,11 5,12 12.703,14 0.706,15 3.852,16 1.828,17 10.392,18 4,19 4,20 1.915,21 1.849,22 3.909,23 8.345,24 12.65,25 1,26 18,27 8.33,28 3.934,29 1.909,30 4.524,31 3.379,32 1.107,33 1.238,34 3.851,35 1.424,36 1.846,37 3.843,38 1.451,39 4.744,40 1.832,41 3,42 3.362,43 1.526,44 0.275,45 1.261,46 12.557,47 6.549,48 3,49 7.891,50 0.959,51 1.638,52 1.947,53 4.495,54 1.485,55 2.406,56 9.566,57 8.196,58 3.898,59 49.029,60 1.869,61 2.112,62 4.011,63 2.52,64 47,65 4.874,66 0.811,68 1.662,69 27.848,70 4.583,71 6.046}
{0 CHEMBL1083134,1 2,3 1,4 0.956,6 4,7 87.966,8 3,10 3,11 3,12 12.617,14 0.825,15 3.854,16 1.771,17 12.408,18 5,20 1.759,21 1.813,22 3.838,23 9.343,24 10.85,25 2,26 21,27 9.402,28 3.888,29 1.743,30 5.319,31 2.981,32 2.904,33 4.037,34 3.724,35 5.25,36 1.786,37 3.726,38 1.162,39 4.915,40 3.306,41 2,42 2.997,43 1.516,44 0.218,45 1.181,46 8.719,47 5.348,48 3,49 6.401,50 0.938,51 6.501,52 1.957,53 4.498,54 1.429,55 2.494,56 5.97,57 6.571,58 3.722,59 44.441,60 7.771,61 9.051,62 3.873,63 1.142,64 40,65 5.017,66 0.517,67 1,68 1.513,69 26.146,70 4.654,71 7.337}
{0 CHEMBL1083140,1 1,7 22.528,12 8.65,14 0.666,15 3.431,16 1.773,17 7.44,20 1.717,21 1.806,22 3.822,23 6.389,24 7.432,25 1,26 14,27 5.458,28 3.877,29 1.689,30 3.676,31 3.182,32 0.379,33 0.239,34 3.664,35 0.156,36 1.724,37 3.684,38 1.358,39 4.376,40 1.2,41 2,42 3.176,43 1.555,44 0.311,45 1.148,46 8.386,47 4.938,48 2,49 5.881,50 0.841,51 0.102,52 1.951,53 4.309,54 1.308,55 1.925,56 5.301,57 6.287,58 3.63,59 37.85,60 0.066,61 0.043,62 3.736,63 -0.738,64 36,65 4.577,66 0.637,68 1.624,69 24.858,70 4.238,71 4}
{0 CHEMBL1083141,1 1,7 17.873,10 2,11 2,12 7.738,14 0.314,15 3.219,16 1.835,17 6.177,18 1,20 1.626,21 1.857,22 3.826,23 5.252,24 6.792,25 1,26 11,27 3.984,28 3.866,29 1.586,30 2.768,31 2.99,34 3.728,36 1.653,37 3.733,38 1.031,39 4.245,41 2,42 2.911,43 1.551,44 0.163,45 1.028,46 7.101,47 4.42,48 1,49 5.329,50 0.745,52 1.955,53 4.064,54 1.147,55 1.625,56 3.745,57 5.631,58 3.483,59 31.937,62 3.579,63 0.374,64 31,65 4.289,66 0.332,68 1.282,69 19.939,70 4.108,71 5.081}
{0 CHEMBL1083142,1 2,7 26.92,12 7.025,14 0.318,15 3.205,16 1.832,17 6.032,20 1.619,21 1.854,22 3.809,23 4.682,24 6.224,25 2,26 10,27 3.297,28 3.847,29 1.576,30 2.658,31 2.99,34 3.721,36 1.652,37 3.722,38 1.012,39 4.158,41 2,42 2.909,43 1.545,44 0.164,45 0.946,46 6.321,47 4.256,48 1,49 5.131,50 0.748,52 1.949,53 3.992,54 1.107,55 1.586,56 2.633,57 5.43,58 3.406,59 29.438,62 3.486,63 -0.807,64 29,65 4.173,66 0.246,68 1.181,69 18.526,70 4.027,71 4.553}
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{0 CHEMBL1215171,1 1,2 1,3 1,4 -0.335,6 2,7 76.195,8 1,10 3,11 3,12 18.434,13 1,14 0.874,15 4.382,16 1.897,17 15.91,18 4,19 7,20 1.879,21 1.915,22 3.974,23 11.955,24 16.921,25 1,26 29,27 13.454,28 4.008,29 1.87,30 7.321,31 3.431,32 3.164,33 4.238,34 3.894,35 5.473,36 1.876,37 3.896,38 1.543,39 5.141,40 3.424,41 3,42 3.442,43 1.511,44 0.665,45 1.557,46 14.422,47 8.433,48 8,49 10.109,50 1.078,51 6.765,52 2.007,53 4.938,54 1.624,55 3.401,56 17.063,57 10.439,58 4.207,59 69.102,60 8.081,61 9.409,62 4.336,63 0.853,64 64,65 5.321,66 1.105,67 2,68 1.705,69 37.185,70 4.952,71 7.319}
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{0 CHEMBL1230122,1 1,3 1,4 0.215,7 28.325,8 1,10 1,11 1,12 9.774,14 0.825,15 3.707,16 1.805,17 9.967,18 2,20 1.927,21 1.835,22 3.884,23 7.75,24 8.709,25 1,26 18,27 7.429,28 3.912,29 1.936,30 4.522,31 3.244,32 1.913,33 1.991,34 3.769,35 2.144,36 1.895,37 3.784,38 1.356,39 4.965,40 2.293,41 3,42 3.287,43 1.572,44 0.49,45 1.406,46 7.913,47 6.979,48 4,49 8.52,50 0.986,51 2.352,52 1.976,53 4.679,54 1.451,55 2.741,56 9.248,57 8.64,58 3.972,59 52.622,60 2.601,61 2.879,62 4.075,63 -0.252,64 49,65 4.987,66 0.805,67 1,68 1.581,69 26.448,70 4.782,71 5}
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{0 CHEMBL1241473,1 1,7 79.865,10 4,11 4,12 10.123,14 0.584,15 3.921,16 1.86,17 8.235,18 5,19 4,20 1.919,21 1.875,22 3.919,23 7.545,24 10.538,25 1,26 20,27 8.609,28 3.936,29 1.962,30 4.603,31 3.081,32 4.233,33 5.959,34 3.824,35 7.796,36 1.799,37 3.835,38 1.236,39 4.809,40 4.612,41 3,42 3.13,43 1.546,44 0.563,45 1.544,46 11.44,47 7.241,48 9,49 8.626,50 0.805,51 9.67,52 1.987,53 4.689,54 1.563,55 2.563,56 8.399,57 8.861,58 4.084,59 59.153,60 11.563,61 13.468,62 4.19,63 1.694,64 54,65 4.992,66 1.017,67 1,68 1.59,69 22.95,70 4.678,71 6.8}
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{0 CHEMBL127898,1 1,3 1,4 -0.628,7 89.401,8 1,12 14.027,14 0.881,15 4.068,16 1.908,17 11.424,19 13,20 1.865,21 1.93,22 3.971,23 8.333,24 14.911,25 2,26 20,27 7.302,28 4.002,29 1.881,30 5.1,31 3.659,32 5.9,33 8.445,34 3.892,35 11.174,36 1.836,37 3.894,38 1.6,39 4.993,40 6.067,41 4,42 3.674,43 1.634,44 0.593,45 1.538,46 15.747,47 8.845,48 7,49 10.682,50 0.944,51 13.948,52 2.016,53 4.852,54 1.583,55 3.186,56 13.944,57 10.934,58 4.181,59 65.876,60 16.733,61 19.521,62 4.273,63 -0.705,64 61,65 5.249,66 1.066,68 1.772,69 28.225,70 4.858,71 5}
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{0 CHEMBL1461728,1 1,7 43.721,10 2,11 2,12 5.315,14 0.37,15 3.147,16 1.853,17 5.369,18 5,19 2,20 1.598,21 1.875,22 3.917,23 4.132,24 4.292,25 1,26 10,27 3.986,28 3.942,29 1.648,30 2.464,31 2.991,32 1.255,33 1.338,34 3.838,35 1.422,36 1.465,37 3.841,38 1.228,39 4.344,40 2.117,41 2,42 3.012,43 1.539,44 0.119,45 1.089,46 3.34,47 4.599,48 2,49 5.55,50 0.409,51 1.51,52 1.966,53 4.078,54 1.132,55 1.59,56 3.424,57 5.635,58 3.511,59 32.705,60 1.599,61 1.69,62 3.621,63 0.393,64 31,65 4.353,66 0.399,67 1,68 1.349,69 12.854,70 4.17,71 5.2}
{0 CHEMBL1516890,1 1,7 31.714,10 1,11 1,12 7.996,14 0.651,15 3.598,16 1.791,17 7.443,18 2,19 3,20 1.814,21 1.823,22 3.953,23 5.605,24 7.586,25 1,26 13,27 5.632,28 3.988,29 1.82,30 3.329,31 3.238,32 1.255,33 1.338,34 3.84,35 1.422,36 1.792,37 3.854,38 1.395,39 4.494,40 2.117,41 2,42 3.249,43 1.589,44 0.202,45 1.158,46 7.127,47 5.406,48 1,49 6.509,50 0.877,51 1.51,52 1.939,53 4.294,54 1.329,55 1.968,56 4.413,57 6.686,58 3.659,59 37.78,60 1.599,61 1.69,62 3.768,63 -0.338,64 37,65 4.561,66 0.595,68 1.585,69 15.326,70 4.328,71 5.9}
{0 CHEMBL1614701,7 55.89,10 3,11 3,12 8.272,14 0.754,15 3.353,16 1.826,17 7.961,18 3,19 1,20 1.766,21 1.841,22 3.893,23 5.857,24 7.332,25 1,26 15,27 3.015,28 3.915,29 1.788,30 3.449,31 3.265,32 3.697,33 5.14,34 3.855,35 6.612,36 1.738,37 3.837,38 1.461,39 4.72,40 4.191,41 2,42 3.279,43 1.631,44 0.256,45 1.179,46 6.621,47 6.157,48 6,49 7.489,50 0.946,51 8.09,52 1.922,53 4.502,54 1.436,55 2.231,56 7.949,57 7.712,58 3.88,59 47.653,60 9.57,61 11.049,62 3.977,63 1.055,64 44,65 4.779,66 0.758,68 1.693,69 33.428,70 4.575,71 5}
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{0 CHEMBL1614771,6 3,7 36.722,10 6,11 6,12 7.425,14 0.413,15 3.61,16 1.661,17 6.91,18 4,19 1,20 1.729,21 1.711,22 3.846,23 6.233,24 7.108,26 15,27 7.14,28 3.908,29 1.749,30 3.411,31 3.142,32 0.05,33 0.008,34 3.661,35 0.001,36 1.703,37 3.692,38 1.375,39 4.546,40 0.8,41 2,42 3.161,43 1.499,44 0.162,45 1.166,46 6.676,47 5.071,48 3,49 6.061,50 0.747,52 1.887,53 4.332,54 1.311,55 2.015,56 5.637,57 6.195,58 3.688,59 40.149,62 3.846,63 3.862,64 37,65 4.532,66 0.421,67 3,68 1.524,69 15.322,70 4.318,71 5}
{0 CHEMBL1614772,7 39.187,10 5,11 5,12 9.878,14 0.748,15 3.694,16 1.715,17 8.666,18 2,20 1.772,21 1.764,22 3.887,23 7.047,24 9.644,26 17,27 8.084,28 3.946,29 1.796,30 3.981,31 3.152,32 0.938,33 0.732,34 3.696,35 0.57,36 1.699,37 3.725,38 1.378,39 4.759,40 1.72,41 3,42 3.18,43 1.531,44 0.226,45 1.246,46 7.819,47 5.876,48 2,49 7.172,50 0.825,51 0.438,52 1.952,53 4.532,54 1.429,55 2.244,56 7.933,57 7.27,58 3.84,59 45.774,60 0.334,61 0.252,62 3.981,63 2.761,64 43,65 4.783,66 0.707,67 3,68 1.522,69 19.812,70 4.547,71 5}
{0 CHEMBL1614773,3 1,4 0.245,6 3,7 45.907,8 1,10 5,11 5,12 11.713,14 0.749,15 3.822,16 1.74,17 9.802,18 2,19 1,20 1.783,21 1.789,22 3.902,23 8.032,24 11.462,26 19,27 9.06,28 3.959,29 1.806,30 4.54,31 3.158,32 0.938,33 0.732,34 3.714,35 0.57,36 1.714,37 3.74,38 1.379,39 4.853,40 1.72,41 3,42 3.184,43 1.53,44 0.41,45 1.295,46 9.929,47 6.214,48 2,49 7.539,50 0.896,51 0.438,52 1.97,53 4.608,54 1.564,55 2.461,56 9.532,57 7.7,58 3.9,59 49.189,60 0.334,61 0.252,62 4.043,63 2.702,64 46,65 4.932,66 0.765,67 3,68 1.63,69 23.932,70 4.638,71 4.8}
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{0 CHEMBL1614777,3 1,4 0.295,6 12,7 85.848,8 2,10 6,11 6,12 19.808,14 0.901,15 4.376,16 1.81,17 16.496,18 3,19 8,20 1.911,21 1.863,22 3.937,23 13.083,24 15.118,26 30,27 14.105,28 3.996,29 1.899,30 7.342,31 3.551,32 3.504,33 4.907,34 3.774,35 6.387,36 1.945,37 3.786,38 1.646,39 5.275,40 3.889,41 3,42 3.549,43 1.573,44 0.565,45 1.526,46 16.337,47 8.491,48 5,49 10.135,50 1.118,51 7.902,52 2.013,53 4.977,54 1.683,55 3.599,56 18.606,57 10.534,58 4.228,59 70.972,60 9.436,61 10.981,62 4.375,63 3.229,64 65,65 5.492,66 0.926,67 3,68 1.742,69 43.536,70 5.063,71 5}
{0 CHEMBL162,2 1,3 2,4 -0.335,7 53.285,8 3,10 2,11 2,12 21.674,13 1,14 1.137,15 4.419,16 1.93,17 17.155,18 3,19 10,20 2.003,21 1.955,22 4.019,23 12.55,24 25.674,26 26,27 12.149,28 4.046,29 2.019,30 6.965,31 3.623,32 2.149,33 2.286,34 3.953,35 2.465,36 1.955,37 3.957,38 1.787,39 5.337,40 2.315,41 1,42 3.624,43 1.636,44 0.758,45 1.604,46 29.664,47 9.596,48 2,49 11.765,50 1.166,51 2.668,52 2.07,53 5.021,54 1.656,55 3.789,56 24.601,57 12.073,58 4.263,59 68.189,60 2.888,61 3.12,62 4.37,63 0.134,64 68,65 5.531,66 1.115,67 1,68 1.944,69 42.815,70 5.178,71 8.959}
{0 CHEMBL1624529,3 1,4 0.565,7 40.233,8 3,10 3,11 3,12 9.101,14 0.94,15 3.612,16 1.788,17 9.486,18 3,19 4,20 1.762,21 1.809,22 3.983,23 6.737,24 8.614,26 15,27 5.585,28 4.017,29 1.778,30 3.728,31 3.425,32 2.346,33 2.951,34 3.875,35 3.628,36 1.732,37 3.883,38 1.398,39 4.967,40 2.873,41 3,42 3.453,43 1.648,44 0.439,45 1.345,46 7.824,47 7.236,48 3,49 8.944,50 1.02,51 4.332,52 1.916,53 4.633,54 1.526,55 2.604,56 7.866,57 9.014,58 3.98,59 51.547,60 5.048,61 5.769,62 4.077,63 0.966,64 49,65 5.013,66 0.804,68 1.591,69 24.466,70 4.792,71 5}
{0 CHEMBL1643355,1 1,7 44.05,10 4,11 4,12 5.846,14 0.169,15 3.168,16 1.454,17 5.887,18 2,20 1.41,21 1.511,22 3.547,23 4.677,24 5.35,25 1,26 11,27 5.107,28 3.616,29 1.4,30 2.674,31 2.804,32 0.138,33 0.039,34 3.395,35 0.011,36 1.423,37 3.401,38 1.019,39 4.128,40 1.043,41 1,42 2.824,43 1.47,45 0.844,46 3.627,47 3.347,48 1,49 4.004,50 0.447,51 0.003,52 1.721,53 3.892,54 1.002,55 1.256,56 1.094,57 4.103,58 3.281,59 27.156,60 0.001,62 3.429,63 2.342,64 25,65 4.177,67 1,68 1.298,69 11.168,70 3.921,71 5.11}
{0 CHEMBL1643356,1 1,6 2,7 18.918,10 2,11 2,12 14.177,14 0.765,15 4.133,16 1.89,17 12.256,18 1,19 11,20 1.827,21 1.921,22 3.92,23 9.186,24 12.814,25 1,26 21,27 9.545,28 3.955,29 1.821,30 5.53,31 3.265,32 0.671,33 0.533,34 3.859,35 0.438,36 1.822,37 3.851,38 1.395,39 4.783,40 1.605,41 2,42 3.261,43 1.456,44 0.428,45 1.352,46 11.719,47 6.094,48 5,49 7.269,50 0.974,51 0.366,52 2.028,53 4.531,54 1.439,55 2.475,56 9.61,57 7.516,58 3.829,59 48.232,60 0.309,61 0.262,62 3.967,63 0.214,64 45,65 4.979,66 0.733,67 1,68 1.599,69 25.061,70 4.57,71 6.37}
{0 CHEMBL1643357,1 1,2 1,7 35.862,10 3,11 3,12 10.649,13 1,14 0.769,15 3.915,16 1.848,17 10.493,18 2,19 6,20 1.816,21 1.874,22 3.892,23 8.051,24 10.315,25 1,26 19,27 8.71,28 3.918,29 1.811,30 4.872,31 3.255,32 0.903,33 0.678,34 3.813,35 0.512,36 1.807,37 3.81,38 1.397,39 4.736,40 1.72,41 2,42 3.257,43 1.455,44 0.218,45 1.27,46 9.447,47 5.916,48 6,49 7.11,50 1.006,51 0.387,52 1.987,53 4.458,54 1.357,55 2.325,56 7.066,57 7.262,58 3.802,59 46.026,60 0.293,61 0.221,62 3.929,63 0.979,64 43,65 4.748,66 0.745,67 1,68 1.607,69 20.445,70 4.522,71 6.23}
{0 CHEMBL1643358,1 1,2 1,6 2,7 33.804,10 3,11 3,12 11.749,13 1,14 0.75,15 3.783,16 1.891,17 10.903,18 3,19 9,20 1.768,21 1.91,22 3.929,23 7.713,24 11.055,25 1,26 17,27 6.611,28 3.95,29 1.764,30 4.311,31 3.264,32 0.317,33 0.149,34 3.887,35 0.067,36 1.745,37 3.875,38 1.379,39 4.729,40 1.315,41 2,42 3.253,43 1.509,44 0.231,45 1.267,46 9.609,47 5.938,48 5,49 7.178,50 0.918,51 0.03,52 2.001,53 4.43,54 1.355,55 2.292,56 7.162,57 7.421,58 3.779,59 44.705,60 0.013,61 0.006,62 3.899,63 0.989,64 42,65 4.799,66 0.644,67 1,68 1.579,69 24.751,70 4.535,71 6.11}
{0 CHEMBL1643359,1 1,2 1,6 2,7 42.629,10 3,11 3,12 13.387,13 1,14 0.788,15 4.133,16 1.912,17 12.244,18 3,19 11,20 1.795,21 1.941,22 3.94,23 9.447,24 11.97,25 1,26 21,27 9.552,28 3.972,29 1.788,30 5.534,31 3.285,32 0.317,33 0.149,34 3.885,35 0.067,36 1.798,37 3.876,38 1.415,39 4.787,40 1.315,41 2,42 3.276,43 1.462,44 0.447,45 1.362,46 9.697,47 6.135,48 5,49 7.32,50 0.986,51 0.03,52 2.042,53 4.519,54 1.423,55 2.519,56 8.142,57 7.567,58 3.829,59 48.232,60 0.013,61 0.006,62 3.968,63 0.935,64 45,65 4.92,66 0.805,67 1,68 1.63,69 23.716,70 4.569,71 6.09}
{0 CHEMBL1643360,1 1,2 1,6 2,7 33.804,10 3,11 3,12 12.843,13 1,14 0.757,15 4.039,16 1.89,17 11.67,18 3,19 10,20 1.782,21 1.915,22 3.929,23 9.027,24 12.7,25 1,26 21,27 9.619,28 3.956,29 1.782,30 5.425,31 3.254,32 0.903,33 0.678,34 3.859,35 0.512,36 1.769,37 3.856,38 1.39,39 4.782,40 1.72,41 2,42 3.252,43 1.462,44 0.455,45 1.373,46 10.319,47 6.203,48 6,49 7.419,50 0.926,51 0.387,52 2.022,53 4.543,54 1.498,55 2.478,56 8.518,57 7.637,58 3.865,59 49.441,60 0.293,61 0.221,62 3.994,63 0.946,64 46,65 4.893,66 0.821,67 2,68 1.612,69 23.455,70 4.574,71 6}
{0 CHEMBL1643361,1 1,2 1,6 2,7 33.804,10 3,11 3,12 11.774,13 1,14 0.757,15 4.013,16 1.889,17 11.318,18 3,19 11,20 1.78,21 1.92,22 3.917,23 8.479,24 10.826,25 1,26 19,27 8.666,28 3.952,29 1.775,30 4.98,31 3.245,32 0.317,33 0.149,34 3.858,35 0.067,36 1.774,37 3.849,38 1.383,39 4.733,40 1.315,41 2,42 3.237,43 1.449,44 0.255,45 1.275,46 9.326,47 5.828,48 5,49 6.983,50 0.926,51 0.03,52 2.026,53 4.433,54 1.356,55 2.325,56 7.197,57 7.156,58 3.765,59 44.817,60 0.013,61 0.006,62 3.901,63 0.968,64 42,65 4.802,66 0.641,67 1,68 1.599,69 21.097,70 4.506,71 5.89}
{0 CHEMBL1643362,1 1,2 1,7 33.375,10 4,11 4,12 11.61,13 1,14 0.779,15 4.036,16 1.858,17 11.352,18 4,19 6,20 1.823,21 1.892,22 3.905,23 8.551,24 11.031,25 1,26 20,27 9.225,28 3.945,29 1.816,30 5.081,31 3.278,32 0.354,33 0.157,34 3.827,35 0.069,36 1.82,37 3.823,38 1.418,39 4.797,40 1.315,41 2,42 3.277,43 1.446,44 0.269,45 1.285,46 9.96,47 6.033,48 6,49 7.226,50 1.007,51 0.03,52 2.011,53 4.491,54 1.364,55 2.388,56 7.641,57 7.386,58 3.819,59 47.315,60 0.013,61 0.006,62 3.963,63 1.78,64 44,65 4.834,66 0.754,67 1,68 1.621,69 21.874,70 4.558,71 5.83}
{0 CHEMBL1643363,1 1,2 1,6 2,7 41.564,10 3,11 3,12 11.736,13 1,14 0.765,15 3.844,16 1.908,17 11.081,18 3,19 11,20 1.785,21 1.934,22 3.953,23 8.117,24 10.878,25 1,26 18,27 7.593,28 3.982,29 1.786,30 4.673,31 3.269,32 5.422,33 8.058,34 3.885,35 10.734,36 1.772,37 3.883,38 1.395,39 4.804,40 5.335,41 2,42 3.271,43 1.487,44 0.277,45 1.275,46 9.426,47 6.339,48 5,49 7.683,50 0.947,51 13.416,52 2.032,53 4.56,54 1.361,55 2.439,56 7.141,57 7.808,58 3.862,59 49.251,60 16.1,61 18.783,62 3.987,63 0.966,64 45,65 4.953,66 0.657,67 1,68 1.599,69 25.393,70 4.601,71 5.77}
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{0 CHEMBL1682341,1 1,7 32.778,10 1,11 1,12 7.685,14 0.438,15 3.639,16 1.886,17 7.285,18 2,19 8,20 1.646,21 1.914,22 3.94,23 5.558,24 6.115,25 1,26 13,27 5.823,28 3.983,29 1.675,30 3.374,31 3.143,32 0.356,33 0.18,34 3.865,35 0.087,36 1.64,37 3.86,38 1.312,39 4.51,40 1.36,41 3,42 3.155,43 1.49,44 0.218,45 1.181,46 4.467,47 5.455,48 3,49 6.56,50 0.791,51 0.041,52 2.01,53 4.282,54 1.441,55 1.961,56 4.214,57 6.689,58 3.669,59 38.152,60 0.019,61 0.009,62 3.796,63 -0.291,64 37,65 4.582,66 0.696,67 1,68 1.465,69 16.321,70 4.307,71 7.2}
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{0 CHEMBL1682360,1 1,6 4,7 45.512,10 1,11 1,12 11.455,14 0.825,15 3.771,16 1.766,17 11.22,18 2,19 5,20 1.671,21 1.83,22 3.899,23 8.234,24 8.669,25 1,26 18,27 8.522,28 3.955,29 1.666,30 4.781,31 3.149,32 0.671,33 0.533,34 3.727,35 0.438,36 1.683,37 3.739,38 1.312,39 4.815,40 1.605,41 3,42 3.16,43 1.488,44 0.411,45 1.375,46 6.516,47 6.012,48 3,49 7.273,50 0.93,51 0.366,52 2.021,53 4.531,54 1.429,55 2.549,56 5.517,57 7.395,58 3.79,59 44.109,60 0.309,61 0.262,62 3.917,63 -0.291,64 42,65 4.876,66 0.734,67 1,68 1.513,69 23.676,70 4.576,71 6.2}
{0 CHEMBL1682540,1 2,7 40.088,10 1,11 1,12 4.688,14 0.406,15 3.268,16 1.769,17 4.834,18 2,20 1.604,21 1.824,22 4.009,23 3.373,24 4.103,25 2,26 9,27 3.804,28 4.065,29 1.653,30 2.114,31 3.014,34 3.829,36 1.475,37 3.861,38 1.303,39 4.242,41 2,42 3.02,43 1.527,44 0.024,45 1.054,46 2.872,47 4.519,48 1,49 5.462,50 0.537,52 2,53 4.084,54 1.166,55 1.538,56 2.904,57 5.545,58 3.479,59 30.322,62 3.597,63 -0.225,64 30,65 4.249,66 0.388,67 1,68 1.44,69 10.491,70 4.059,71 6}
{0 CHEMBL1682545,1 1,7 46.979,10 2,11 2,12 6.916,14 0.415,15 3.485,16 1.855,17 6.681,18 5,19 9,20 1.601,21 1.886,22 3.914,23 5.001,24 6.481,25 1,26 12,27 5.179,28 3.951,29 1.65,30 2.984,31 3.139,32 0.05,33 0.008,34 3.842,35 0.001,36 1.469,37 3.831,38 1.303,39 4.426,40 0.8,41 3,42 3.134,43 1.488,44 0.218,45 1.181,46 4.506,47 5.317,48 3,49 6.397,50 0.598,52 1.993,53 4.207,54 1.425,55 1.849,56 4.173,57 6.609,58 3.639,59 36.574,62 3.748,63 0.331,64 36,65 4.441,66 0.718,68 1.405,69 14.705,70 4.238,71 6.4}
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{0 CHEMBL1682553,1 2,3 1,4 0.302,6 6,7 60.066,8 1,10 2,11 2,12 9.306,14 0.533,15 3.777,16 1.778,17 8.467,18 4,20 1.862,21 1.834,22 4.016,23 6.919,24 7.242,25 2,26 16,27 7.419,28 4.071,29 1.843,30 3.973,31 3.294,32 0.05,33 0.008,34 3.84,35 0.001,36 1.878,37 3.872,38 1.336,39 4.676,40 0.8,41 2,42 3.302,43 1.528,44 0.406,45 1.401,46 8.886,47 5.816,48 3,49 6.939,50 0.937,52 2.005,53 4.461,54 1.458,55 2.313,56 10.001,57 7.149,58 3.772,59 43.066,62 3.91,63 0.348,64 41,65 4.757,66 0.789,67 2,68 1.468,69 19.977,70 4.457,71 7}
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{0 CHEMBL1964692,1 2,7 63.652,10 4,11 4,12 10.505,14 0.697,15 3.791,16 1.878,17 8.811,18 5,19 8,20 1.896,21 1.904,22 3.95,23 7.179,24 9.102,25 2,26 17,27 6.729,28 3.982,29 1.907,30 4.092,31 3.204,32 5.464,33 8.065,34 3.857,35 10.736,36 1.861,37 3.862,38 1.459,39 4.855,40 5.335,41 3,42 3.25,43 1.549,44 0.267,45 1.344,46 9.395,47 7.271,48 3,49 8.796,50 0.967,51 13.417,52 2.007,53 4.66,54 1.531,55 2.546,56 8.805,57 8.947,58 4.012,59 55.125,60 16.1,61 18.783,62 4.133,63 1.664,64 51,65 5.006,66 0.85,67 1,68 1.664,69 22.776,70 4.685,71 6.4}
{0 CHEMBL1964777,1 2,7 50.992,10 2,11 2,12 4.403,14 0.192,15 2.96,16 1.785,17 4.452,19 1,20 1.68,21 1.807,22 3.875,23 3.766,24 4.206,25 2,26 9,27 2.985,28 3.897,29 1.696,30 2.167,31 2.893,32 1.37,33 1.275,34 3.802,35 1.193,36 1.538,37 3.801,38 0.965,39 4.254,40 1.96,41 2,42 2.89,43 1.549,44 0.075,45 1.068,46 3.753,47 4.576,48 3,49 5.557,50 0.685,51 1.123,52 1.899,53 4.038,54 1.109,55 1.537,56 3.478,57 5.718,58 3.522,59 32.336,60 1.062,61 1.01,62 3.596,63 0.41,64 31,65 4.176,66 0.431,68 1.19,69 11.749,70 4.146,71 5}
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{0 CHEMBL1964937,1 1,3 1,4 -0.399,6 2,7 55.429,8 1,10 3,11 3,12 13.44,14 0.834,15 4.089,16 1.886,17 13.507,18 3,19 7,20 1.945,21 1.913,22 3.939,23 9.774,24 14.082,25 1,26 22,27 10.103,28 3.974,29 1.954,30 5.634,31 3.325,32 2.575,33 3.427,34 3.865,35 4.397,36 1.912,37 3.86,38 1.483,39 5.002,40 2.988,41 3,42 3.341,43 1.528,44 0.643,45 1.432,46 13.301,47 7.268,48 4,49 8.816,50 1.015,51 5.417,52 2.014,53 4.691,54 1.623,55 2.862,56 10.928,57 8.971,58 3.997,59 55.149,60 6.462,61 7.52,62 4.12,63 0.908,64 52,65 5.066,66 0.892,68 1.677,69 28.352,70 4.789,71 6.6}
{0 CHEMBL1965033,7 87.157,10 3,11 3,12 8.139,14 0.41,15 3.535,16 1.871,17 7.291,18 4,19 7,20 1.851,21 1.893,22 3.933,23 6.212,24 6.696,26 14,27 4.805,28 3.961,29 1.864,30 3.448,31 3.161,32 5.472,33 8.066,34 3.845,35 10.736,36 1.837,37 3.853,38 1.283,39 4.755,40 5.335,41 3,42 3.22,43 1.551,44 0.218,45 1.181,46 8.108,47 6.551,48 3,49 7.938,50 0.915,51 13.417,52 1.994,53 4.533,54 1.424,55 2.305,56 4.338,57 8.055,58 3.9,59 49.677,60 16.1,61 18.783,62 4.007,63 0.994,64 45,65 4.892,66 0.821,68 1.423,69 21.016,70 4.6,71 5.4}
{0 CHEMBL1965131,7 59.733,10 3,11 3,12 7.967,14 0.614,15 3.292,16 1.887,17 6.704,18 2,19 10,20 1.71,21 1.898,22 3.925,23 5.694,24 6.283,26 12,27 2.989,28 3.948,29 1.723,30 2.802,31 3.187,32 1.677,33 1.719,34 3.871,35 1.766,36 1.6,37 3.865,38 1.294,39 4.487,40 2.117,41 2,42 3.197,43 1.63,44 0.218,45 1.181,46 5.267,47 5.537,48 3,49 6.697,50 0.741,51 1.817,52 1.95,53 4.259,54 1.341,55 1.967,56 6.048,57 7.043,58 3.703,59 39.715,60 1.874,61 1.935,62 3.784,63 1.039,64 38,65 4.578,66 0.774,68 1.516,69 24.38,70 4.386,71 5.9}
{0 CHEMBL1965169,1 1,7 38.518,10 1,11 1,12 6.204,14 0.435,15 3.188,16 1.739,17 5.297,18 2,19 2,20 1.633,21 1.778,22 3.854,23 4.333,24 6.034,25 1,26 10,27 2.006,28 3.888,29 1.632,30 2.436,31 2.965,34 3.774,36 1.631,37 3.774,38 1.074,39 4.218,41 2,42 2.933,43 1.516,44 0.218,45 1.118,46 3.458,47 4.242,48 1,49 5.089,50 0.723,52 1.921,53 4.037,54 1.154,55 1.558,56 4.2,57 5.306,58 3.424,59 29.997,62 3.533,63 -0.256,64 29,65 4.238,66 0.151,68 1.39,69 10.579,70 4.044,71 5.4}
{0 CHEMBL1965170,1 2,3 1,4 -0.883,7 57.999,8 1,10 6,11 6,12 16.377,14 1.047,15 4.283,16 1.858,17 13.821,18 5,19 6,20 1.937,21 1.883,22 3.933,23 10.977,24 16.806,25 2,26 26,27 11.908,28 3.975,29 1.936,30 6.377,31 3.681,32 2.508,33 3.275,34 3.835,35 4.165,36 1.899,37 3.838,38 1.648,39 5.157,40 2.912,41 4,42 3.686,43 1.531,44 0.577,45 1.547,46 14.046,47 9.356,48 8,49 11.306,50 1.064,51 5.114,52 1.993,53 4.902,54 1.605,55 3.39,56 14.592,57 11.63,58 4.283,59 71.899,60 6.092,61 7.084,62 4.392,63 3.025,64 68,65 5.258,66 1.111,67 3,68 1.84,69 36.03,70 4.986,71 6.4}
{0 CHEMBL1965387,7 68.288,10 5,11 5,12 15.403,14 0.976,15 4.295,16 1.857,17 14.328,18 6,19 12,20 1.929,21 1.881,22 3.956,23 10.811,24 14.82,26 25,27 10.827,28 4.013,29 1.927,30 6.158,31 3.759,32 2.508,33 3.275,34 3.845,35 4.165,36 1.924,37 3.842,38 1.685,39 5.154,40 2.912,41 4,42 3.763,43 1.51,44 0.681,45 1.551,46 14.387,47 9.237,48 8,49 11.162,50 1.059,51 5.114,52 1.983,53 4.862,54 1.694,55 3.466,56 13.084,57 11.389,58 4.227,59 68.505,60 6.092,61 7.084,62 4.348,63 2.245,64 65,65 5.185,66 1.201,68 1.85,69 32.198,70 4.958,71 5.4}
{0 CHEMBL1965423,4 0.451,6 1,7 29.742,8 1,10 2,11 2,12 12.884,14 0.75,15 4.003,16 1.851,17 11.685,19 1,20 1.911,21 1.876,22 4.042,23 9.368,24 12.29,26 20,27 8.941,28 4.085,29 1.899,30 5.198,31 3.547,34 3.926,36 1.936,37 3.927,38 1.515,39 4.938,41 3,42 3.528,43 1.558,44 0.541,45 1.417,46 14.624,47 7.574,48 4,49 9.098,50 1.054,52 1.979,53 4.695,54 1.644,55 2.977,56 11.281,57 9.45,58 4.016,59 55.073,62 4.134,63 0.228,64 53,65 5.074,66 0.829,67 1,68 1.616,69 27.91,70 4.742,71 5}
{0 CHEMBL1965495,1 1,7 65.595,10 1,11 1,12 5.855,14 0.218,15 3.376,16 1.715,17 5.423,18 2,20 1.737,21 1.746,22 3.828,23 4.406,24 5.188,25 1,26 10,27 4.181,28 3.868,29 1.766,30 2.526,31 2.867,32 3.563,33 4.962,34 3.737,35 6.378,36 1.681,37 3.738,38 1.139,39 4.236,40 4.069,41 2,42 2.881,43 1.634,44 0.118,45 1.113,46 5.38,47 4.501,48 1,49 5.38,50 0.694,51 7.797,52 1.855,53 4.053,54 1.125,55 1.649,56 2.485,57 5.548,58 3.457,59 31.239,60 9.217,61 10.638,62 3.571,63 -0.28,64 30,65 4.331,66 0.513,68 1.215,69 11.229,70 4.067,71 5.7}
{0 CHEMBL1965507,7 71.793,10 5,11 5,12 10.782,14 0.621,15 3.85,16 1.865,17 8.908,18 8,19 8,20 1.928,21 1.894,22 3.947,23 7.885,24 9.433,25 1,26 18,27 7.777,28 3.981,29 1.948,30 4.243,31 3.22,32 2.617,33 3.348,34 3.868,35 4.204,36 1.839,37 3.866,38 1.472,39 4.818,40 2.912,41 3,42 3.266,43 1.55,44 0.345,45 1.365,46 7.922,47 7.251,48 4,49 8.689,50 0.949,51 5.132,52 1.999,53 4.582,54 1.544,55 2.567,56 8.39,57 8.989,58 3.994,59 53.82,60 6.1,61 7.087,62 4.11,63 2.452,64 51,65 4.933,66 0.821,67 2,68 1.561,69 26.308,70 4.652,71 5.7}
{0 CHEMBL1965570,1 1,7 45.069,10 4,11 4,12 10.561,14 0.706,15 3.868,16 1.852,17 9.387,18 4,19 9,20 1.93,21 1.879,22 3.927,23 7.407,24 11.135,25 1,26 17,27 6.882,28 3.959,29 1.926,30 4.108,31 3.652,32 2.415,33 3.244,34 3.833,35 4.156,36 1.891,37 3.837,38 1.474,39 4.856,40 2.912,41 4,42 3.652,43 1.539,44 0.314,45 1.388,46 9.168,47 7.78,48 4,49 9.413,50 1.043,51 5.111,52 1.987,53 4.591,54 1.536,55 2.673,56 10.036,57 9.658,58 4.031,59 54.578,60 6.091,61 7.083,62 4.127,63 1.57,64 53,65 4.918,66 0.84,67 1,68 1.581,69 23.013,70 4.698,71 5.2}
{0 CHEMBL1965589,1 2,6 4,7 47.266,10 2,11 2,12 9.317,14 0.825,15 3.85,16 1.823,17 8.979,18 2,20 1.897,21 1.864,22 3.932,23 7.753,24 9.826,25 2,26 18,27 7.543,28 3.977,29 1.921,30 4.514,31 3.597,32 0.05,33 0.008,34 3.8,35 0.001,36 1.83,37 3.801,38 1.446,39 4.927,40 0.8,41 4,42 3.62,43 1.555,44 0.592,45 1.513,46 9.626,47 7.521,48 5,49 9.182,50 0.987,52 1.981,53 4.679,54 1.507,55 2.846,56 12.001,57 9.351,58 4.02,59 54.785,62 4.134,63 0.276,64 52,65 4.976,66 0.805,68 1.654,69 23.813,70 4.738,71 5}
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{0 CHEMBL1965660,1 1,7 63.386,10 5,11 5,12 5.522,14 0.453,15 3.243,16 1.755,17 5.394,18 4,20 1.683,21 1.796,22 3.843,23 4.551,24 6.844,25 1,26 11,27 3.247,28 3.876,29 1.711,30 2.201,31 2.952,32 1.045,33 1.019,34 3.757,35 0.993,36 1.614,37 3.759,38 1.315,39 4.453,40 1.96,41 3,42 3.01,43 1.57,45 1.194,46 6.159,47 5.207,48 3,49 6.32,50 0.67,51 0.967,52 1.941,53 4.215,54 1.294,55 1.739,56 4.917,57 6.505,58 3.67,59 38.25,60 0.942,61 0.917,62 3.781,63 2.761,64 36,65 4.477,66 0.561,68 1.447,69 16.283,70 4.311,71 6.9}
{0 CHEMBL1965683,1 1,4 0.56,7 30.779,8 1,10 1,11 1,12 7.314,14 0.227,15 3.386,16 1.504,17 7.866,18 2,20 1.616,21 1.561,22 3.816,23 5.887,24 6.545,25 1,26 12,27 5.562,28 3.859,29 1.6,30 3.304,31 2.814,32 0.356,33 0.18,34 3.718,35 0.087,36 1.634,37 3.719,38 1.146,39 4.358,40 1.36,41 2,42 2.797,43 1.498,44 0.145,45 1.042,46 4.741,47 4.038,48 1,49 4.888,50 0.852,51 0.041,52 1.772,53 4.065,54 1.107,55 1.644,56 0.938,57 4.989,58 3.371,59 29.073,60 0.019,61 0.009,62 3.499,63 -0.305,64 28,65 4.338,68 1.338,69 13.187,70 4.126,71 4.7}
{0 CHEMBL1965702,1 1,3 2,4 0.965,6 4,7 45.467,8 2,9 1,10 2,11 2,12 15.944,14 0.843,15 4.087,16 1.827,17 14.141,18 4,19 6,20 1.886,21 1.877,22 3.918,23 10.328,24 14.826,25 1,26 23,27 10.312,28 3.98,29 1.91,30 5.848,31 3.254,32 0.413,33 0.246,34 3.779,35 0.157,36 1.797,37 3.776,38 1.459,39 5.063,40 1.2,41 3,42 3.257,43 1.51,44 0.646,45 1.466,46 12.499,47 7.176,48 4,49 8.629,50 0.928,51 0.102,52 1.997,53 4.765,54 1.602,55 3.02,56 9.271,57 8.909,58 3.995,59 55.671,60 0.067,61 0.043,62 4.134,63 0.289,64 52,65 5.195,66 0.924,67 1,68 1.753,69 34.302,70 4.827,71 7.5}
{0 CHEMBL1965836,1 2,3 1,4 -0.426,6 2,7 85.751,8 1,10 3,11 3,12 14.336,14 0.898,15 3.982,16 1.894,17 12.047,18 3,19 6,20 1.865,21 1.918,22 3.946,23 9.261,24 12.436,25 2,26 21,27 8.79,28 3.973,29 1.872,30 5.369,31 3.41,32 5.638,33 8.374,34 3.867,35 11.156,36 1.846,37 3.865,38 1.544,39 4.968,40 5.542,41 3,42 3.414,43 1.51,44 0.491,45 1.302,46 12.05,47 7.868,48 7,49 9.519,50 0.965,51 13.943,52 2.025,53 4.773,54 1.733,55 2.952,56 10.188,57 9.703,58 4.095,59 60.583,60 16.732,61 19.52,62 4.205,63 0.884,64 56,65 5.13,66 0.885,67 1,68 1.758,69 29.296,70 4.789,71 8.5}
{0 CHEMBL1965845,1 1,3 1,4 -0.09,6 5,7 64.254,8 1,10 2,11 2,12 14.706,14 0.833,15 4.195,16 1.886,17 13.726,18 4,19 6,20 1.945,21 1.911,22 3.947,23 10.563,24 15.736,25 1,26 24,27 10.997,28 3.978,29 1.955,30 6.19,31 3.329,32 2.655,33 3.452,34 3.866,35 4.404,36 1.912,37 3.866,38 1.493,39 5.012,40 2.988,41 3,42 3.341,43 1.535,44 0.644,45 1.563,46 14.366,47 7.534,48 4,49 9.067,50 1.015,51 5.419,52 2.013,53 4.766,54 1.629,55 3.082,56 12.265,57 9.327,58 4.049,59 58.564,60 6.463,61 7.52,62 4.173,63 0.212,64 55,65 5.111,66 0.993,68 1.728,69 29.76,70 4.808,71 8.1}
{0 CHEMBL1965910,3 2,4 1.185,6 12,7 39.368,8 2,10 2,11 2,12 23.245,14 1.118,15 4.691,16 1.868,17 21.552,18 1,19 12,20 1.987,21 1.914,22 3.92,23 15.592,24 24.103,25 1,26 33,27 15.424,28 3.975,29 1.977,30 8.832,31 3.713,32 1.603,33 1.778,34 3.847,35 1.991,36 2.002,37 3.842,38 1.735,39 5.432,40 2.302,41 5,42 3.719,43 1.514,44 0.866,45 1.686,46 22.822,47 10.312,48 6,49 12.519,50 1.16,51 2.225,52 2.036,53 5.08,54 1.793,55 4.433,56 19.871,57 12.753,58 4.315,59 76.514,60 2.473,61 2.73,62 4.445,63 0.105,64 73,65 5.505,66 1.13,67 1,68 1.86,69 43.704,70 5.195,71 5.1}
{0 CHEMBL1965988,1 1,7 88.897,10 6,11 6,12 12.85,14 0.701,15 4.113,16 1.884,17 11.317,18 6,19 12,20 1.928,21 1.913,22 3.934,23 9.531,24 12.009,25 1,26 21,27 9.537,28 3.968,29 1.927,30 5.147,31 3.455,32 2.476,33 3.26,34 3.861,35 4.159,36 1.885,37 3.857,38 1.499,39 4.873,40 2.912,41 3,42 3.444,43 1.524,44 0.609,45 1.432,46 11.57,47 7.759,48 3,49 9.283,50 1.01,51 5.112,52 2.013,53 4.649,54 1.584,55 2.846,56 11.124,57 9.637,58 4.051,59 57.943,60 6.091,61 7.083,62 4.172,63 3.179,64 55,65 4.945,66 0.85,68 1.677,69 26.145,70 4.7,71 6.4}
{0 CHEMBL1966035,1 2,3 1,4 -0.144,6 3,7 60.491,8 1,10 2,11 2,12 7.657,14 0.765,15 3.644,16 1.832,17 7.643,19 4,20 1.831,21 1.861,22 3.883,23 5.953,24 8.007,25 2,26 15,27 6.657,28 3.917,29 1.847,30 3.784,31 3.23,32 0.722,33 0.469,34 3.797,35 0.302,36 1.791,37 3.803,38 1.386,39 4.539,40 1.59,41 3,42 3.219,43 1.522,44 0.218,45 1.181,46 6.893,47 5.549,48 3,49 6.664,50 0.862,51 0.194,52 1.977,53 4.285,54 1.107,55 2.117,56 6.848,57 6.835,58 3.722,59 41.405,60 0.124,61 0.079,62 3.824,63 0.304,64 39,65 4.506,66 0.667,67 1,68 1.652,69 15.098,70 4.343,71 5.3}
{0 CHEMBL1966069,1 1,7 36.27,10 1,11 1,12 6.049,14 0.454,15 3.639,16 1.89,17 6.069,18 2,19 2,20 1.76,21 1.919,22 4.07,23 4.693,24 5.501,25 1,26 12,27 5.151,28 4.118,29 1.781,30 2.962,31 3.187,32 0.138,33 0.039,34 3.941,35 0.011,36 1.715,37 3.958,38 1.314,39 4.589,40 1.043,41 3,42 3.212,43 1.521,44 0.229,45 1.195,46 4.581,47 6.003,48 3,49 7.263,50 0.896,51 0.003,52 2.019,53 4.39,54 1.476,55 2.067,56 3.51,57 7.363,58 3.772,59 40.817,60 0.001,62 3.902,63 -0.219,64 40,65 4.662,66 0.719,67 1,68 1.465,69 15.861,70 4.391,71 7.3}
{0 CHEMBL1966087,1 4,2 1,3 1,4 0.26,7 60.946,8 1,10 1,11 1,12 8.982,13 1,14 0.894,15 3.736,16 1.748,17 9.71,18 1,19 1,20 1.751,21 1.781,22 3.844,23 7.134,24 7.409,25 4,26 17,27 7.744,28 3.891,29 1.726,30 4.42,31 3.138,32 0.763,33 0.597,34 3.715,35 0.47,36 1.792,37 3.724,38 1.411,39 4.685,40 1.72,41 3,42 3.141,43 1.445,44 0.218,45 1.181,46 7.672,47 5.473,48 4,49 6.597,50 0.928,51 0.367,52 1.915,53 4.398,54 1.419,55 2.197,56 6.073,57 6.717,58 3.708,59 41.611,60 0.283,61 0.217,62 3.83,63 -0.32,64 39,65 4.551,66 0.58,68 1.68,69 16.882,70 4.459,71 6.3}
{0 CHEMBL1966175,1 2,4 0.563,6 2,7 92.499,8 2,10 1,11 1,12 12.901,14 0.824,15 3.811,16 1.777,17 11.102,18 1,19 1,20 1.73,21 1.826,22 3.89,23 8.335,24 13.304,25 2,26 18,27 8.114,28 3.946,29 1.741,30 4.564,31 3.402,32 4.676,33 6.518,34 3.745,35 8.412,36 1.709,37 3.749,38 1.471,39 4.93,40 5.231,41 2,42 3.412,43 1.658,44 0.622,45 1.531,46 11.686,47 6.45,48 2,49 7.833,50 0.847,51 10.325,52 1.991,53 4.619,54 1.543,55 2.656,56 9.311,57 8.006,58 3.861,59 47.69,60 12.246,61 14.171,62 3.99,63 -0.26,64 45,65 5.055,66 0.784,67 1,68 1.645,69 27.464,70 4.71,71 7.6}
{0 CHEMBL1966204,7 45.785,10 2,11 2,12 9.684,14 0.76,15 3.938,16 1.882,17 9.71,18 3,19 15,20 1.978,21 1.912,22 3.95,23 7.24,24 8.36,26 17,27 7.057,28 4.002,29 1.975,30 4.325,31 3.567,32 1.297,33 1.348,34 3.856,35 1.425,36 1.981,37 3.854,38 1.463,39 4.887,40 2.117,41 4,42 3.605,43 1.538,44 0.431,45 1.336,46 7.527,47 7.746,48 5,49 9.357,50 1.059,51 1.51,52 2.014,53 4.617,54 1.67,55 2.731,56 8.154,57 9.511,58 4.012,59 54.03,60 1.599,61 1.69,62 4.127,63 0.225,64 52,65 4.955,66 0.821,67 4,68 1.617,69 22.821,70 4.703,71 7.3}
{0 CHEMBL1966279,2 1,7 108.61,10 5,11 5,12 13.177,14 1.034,15 4.1,16 1.963,17 14.416,18 6,19 4,20 1.942,21 1.967,22 4.019,23 10.369,24 12.429,26 23,27 12.45,28 4.028,29 1.932,30 5.811,31 3.611,32 1.677,33 1.719,34 3.956,35 1.766,36 1.941,37 3.945,38 1.663,39 5.113,40 2.117,41 3,42 3.567,43 1.576,44 0.45,45 1.43,46 13.166,47 8.525,48 8,49 10.27,50 1.132,51 1.817,52 2.066,53 4.789,54 1.656,55 3.225,56 11.234,57 10.574,58 4.152,59 63.986,60 1.874,61 1.935,62 4.258,63 2.336,64 60,65 5.163,66 0.969,68 1.9,69 34.5,70 4.931,71 7.1}
{0 CHEMBL1966343,4 0.56,7 39.605,8 1,10 3,11 3,12 9.321,14 0.469,15 3.58,16 1.696,17 8.703,18 3,19 4,20 1.645,21 1.751,22 3.875,23 7.275,24 6.519,26 16,27 7.539,28 3.912,29 1.7,30 4.104,31 3.115,34 3.714,36 1.57,37 3.729,38 1.35,39 4.573,41 2,42 3.13,43 1.521,44 0.376,45 1.313,46 5.714,47 5.091,48 3,49 6.031,50 0.716,52 1.934,53 4.345,54 1.409,55 2.128,56 5.575,57 6.248,58 3.673,59 39.694,62 3.806,63 1.148,64 37,65 4.734,66 0.586,67 2,68 1.492,69 20.666,70 4.361,71 6.3}
{0 CHEMBL1966425,7 57.219,10 2,11 2,12 16.564,14 0.995,15 4.359,16 1.871,17 14.759,18 4,19 8,20 1.932,21 1.893,22 4.033,23 11.438,24 15.298,26 26,27 11.857,28 4.049,29 1.925,30 6.733,31 3.513,32 1.693,33 1.668,34 3.924,35 1.705,36 1.937,37 3.941,38 1.666,39 5.105,40 2.162,41 3,42 3.514,43 1.536,44 0.704,45 1.563,46 14.238,47 8.781,48 8,49 10.567,50 1.067,51 1.777,52 1.989,53 4.889,54 1.644,55 3.489,56 14.402,57 10.856,58 4.188,59 66.189,60 1.87,61 1.979,62 4.301,63 0.162,64 63,65 5.22,66 0.985,68 1.856,69 33.319,70 4.919,71 6.3}
{0 CHEMBL1966514,1 1,7 45.069,10 4,11 4,12 10.996,14 0.706,15 3.868,16 1.853,17 9.234,18 5,19 8,20 1.93,21 1.88,22 3.927,23 7.407,24 10.873,25 1,26 17,27 6.882,28 3.959,29 1.926,30 4.108,31 3.652,32 2.415,33 3.244,34 3.833,35 4.156,36 1.891,37 3.836,38 1.474,39 4.856,40 2.912,41 4,42 3.652,43 1.531,44 0.308,45 1.384,46 9.429,47 7.771,48 4,49 9.405,50 1.043,51 5.111,52 1.988,53 4.591,54 1.535,55 2.666,56 10.378,57 9.652,58 4.031,59 54.578,60 6.091,61 7.083,62 4.127,63 1.57,64 53,65 4.913,66 0.839,67 1,68 1.581,69 22.83,70 4.697,71 5.6}
{0 CHEMBL1966524,1 4,3 1,4 -0.103,6 2,7 92.999,8 1,10 3,11 3,12 13.837,14 1.001,15 4.051,16 1.847,17 12.487,18 4,19 4,20 1.946,21 1.872,22 4.075,23 8.93,24 12.029,25 4,26 20,27 9.126,28 4.087,29 1.943,30 5.191,31 3.48,32 0.739,33 0.593,34 4.04,35 0.469,36 1.906,37 4.031,38 1.683,39 4.915,40 1.72,41 3,42 3.475,43 1.515,44 0.536,45 1.352,46 11.187,47 7.592,48 6,49 9.187,50 1.053,51 0.366,52 1.975,53 4.644,54 1.616,55 2.801,56 9.232,57 9.459,58 4.011,59 54.444,60 0.283,61 0.217,62 4.119,63 0.857,64 53,65 4.991,66 0.847,68 1.851,69 29.85,70 4.733,71 7.7}
{0 CHEMBL1966703,4 -0.372,6 2,7 64.993,8 1,10 2,11 2,12 16.804,14 0.745,15 3.907,16 1.813,17 12.799,18 4,19 7,20 1.785,21 1.845,22 3.849,23 9.954,24 12.029,26 20,27 9.099,28 3.882,29 1.782,30 5.425,31 3.246,32 2.004,33 2.278,34 3.769,35 2.696,36 1.797,37 3.767,38 1.426,39 4.913,40 2.346,41 2,42 3.243,43 1.585,44 0.515,45 1.379,46 12.94,47 6.446,48 1,49 7.749,50 0.925,51 3.201,52 1.965,53 4.618,54 1.413,55 2.661,56 11.628,57 8.079,58 3.893,59 49.781,60 3.757,61 4.341,62 4.014,63 0.255,64 47,65 5.254,66 0.804,68 1.642,69 34.936,70 4.742,71 5}
{0 CHEMBL1966722,7 53.787,10 4,11 4,12 10.694,14 0.549,15 3.784,16 1.857,17 11.116,18 4,19 5,20 1.926,21 1.881,22 3.904,23 7.389,24 10.275,26 18,27 6.892,28 3.932,29 1.905,30 4.357,31 3.395,32 4.163,33 5.772,34 3.844,35 7.528,36 1.961,37 3.835,38 1.425,39 4.85,40 4.129,41 3,42 3.366,43 1.545,44 0.218,45 1.181,46 10.811,47 6.831,48 5,49 8.217,50 1.01,51 9.346,52 1.98,53 4.49,54 1.415,55 2.447,56 9.589,57 8.45,58 3.926,59 51.099,60 11.189,61 13.043,62 4.032,63 1.662,64 48,65 4.908,66 0.821,68 1.513,69 26.281,70 4.686,71 5}
{0 CHEMBL1966808,1 2,7 51.278,10 1,11 1,12 8.123,14 0.695,15 3.437,16 1.8,17 9.343,18 2,19 5,20 1.838,21 1.836,22 3.885,23 6.546,24 5.508,25 2,26 13,27 5.415,28 3.921,29 1.87,30 3.35,31 3.262,32 2.344,33 3.143,34 3.793,35 4.023,36 1.68,37 3.795,38 1.174,39 4.693,40 2.86,41 2,42 3.222,43 1.594,44 0.218,45 1.181,46 4.985,47 6.093,48 1,49 7.444,50 0.91,51 4.946,52 1.959,53 4.442,54 1.332,55 2.375,56 4.737,57 7.621,58 3.753,59 40.282,60 5.892,61 6.852,62 3.858,63 -0.241,64 40,65 4.646,66 0.773,68 1.427,69 21.862,70 4.507,71 5.2}
{0 CHEMBL1966816,1 1,7 57.729,10 2,11 2,12 5.227,14 0.328,15 3.235,16 1.802,17 5.102,18 3,19 4,20 1.65,21 1.838,22 3.909,23 4.178,24 4.485,25 1,26 10,27 2.913,28 3.949,29 1.679,30 2.401,31 3.127,32 5.464,33 8.065,34 3.773,35 10.736,36 1.629,37 3.79,38 1.25,39 4.574,40 5.335,41 2,42 3.181,43 1.529,44 0.093,45 1.085,46 4.359,47 5.567,48 2,49 6.79,50 0.657,51 13.417,52 1.973,53 4.337,54 1.316,55 1.873,56 3.521,57 6.819,58 3.717,59 40.637,60 16.1,61 18.783,62 3.818,63 0.391,64 37,65 4.556,66 0.606,68 1.374,69 11.708,70 4.402,71 5}
{0 CHEMBL1966842,1 1,7 61.533,10 2,11 2,12 20.288,14 0.926,15 4.618,16 1.894,17 16.677,18 4,19 10,20 1.994,21 1.921,22 3.961,23 13.235,24 17.661,25 1,26 31,27 14.023,28 3.993,29 1.984,30 7.955,31 3.792,32 3.19,33 4.332,34 3.878,35 5.605,36 2.006,37 3.875,38 1.771,39 5.267,40 3.497,41 5,42 3.777,43 1.514,44 0.709,45 1.593,46 20.92,47 11.005,48 10,49 13.158,50 1.124,51 6.928,52 2.032,53 5.078,54 1.784,55 4.122,56 19.475,57 13.663,58 4.409,59 82.809,60 8.274,61 9.631,62 4.525,63 0.114,64 79,65 5.453,66 1.339,67 1,68 1.855,69 41.173,70 5.092,71 5.4}
{0 CHEMBL1967094,7 37.096,10 2,11 2,12 8.164,14 0.699,15 3.558,16 1.881,17 8.836,18 3,19 3,20 1.723,21 1.905,22 3.917,23 6.11,24 8.152,26 14,27 5.079,28 3.944,29 1.732,30 3.524,31 3.271,32 1.343,33 1.438,34 3.863,35 1.555,36 1.681,37 3.853,38 1.459,39 4.617,40 2.162,41 3,42 3.3,43 1.553,44 0.293,45 1.196,46 7.021,47 6.226,48 4,49 7.535,50 0.82,51 1.679,52 2.001,53 4.374,54 1.527,55 2.219,56 4.775,57 7.802,58 3.789,59 43.06,60 1.807,61 1.939,62 3.884,63 0.273,64 42,65 4.637,66 0.821,68 1.521,69 20.924,70 4.458,71 5}
{0 CHEMBL1967116,1 2,7 64.718,10 4,11 4,12 14.876,14 0.777,15 4.177,16 1.884,17 11.678,18 5,19 10,20 1.935,21 1.913,22 3.939,23 9.853,24 13.48,25 2,26 22,27 9.939,28 3.977,29 1.932,30 5.544,31 3.655,32 2.415,33 3.244,34 3.861,35 4.156,36 1.893,37 3.858,38 1.509,39 4.954,40 2.912,41 4,42 3.661,43 1.537,44 0.613,45 1.526,46 11.972,47 8.297,48 4,49 9.934,50 1.059,51 5.111,52 2.014,53 4.748,54 1.602,55 3.032,56 12.504,57 10.334,58 4.123,59 61.441,60 6.091,61 7.083,62 4.243,63 1.543,64 59,65 5.088,66 1.075,67 2,68 1.722,69 30.2,70 4.786,71 6.9}
{0 CHEMBL1967252,1 2,7 45.727,10 1,11 1,12 6.357,14 0.275,15 3.367,16 1.698,17 5.797,18 2,20 1.744,21 1.733,22 3.828,23 4.791,24 5.943,25 2,26 11,27 4.929,28 3.874,29 1.768,30 2.883,31 2.882,34 3.712,36 1.706,37 3.721,38 1.034,39 4.207,41 2,42 2.878,43 1.509,45 1.037,46 4.73,47 4.171,48 1,49 4.984,50 0.737,52 1.856,53 4.038,54 1.064,55 1.567,56 2.819,57 5.148,58 3.418,59 30.156,62 3.54,63 -0.291,64 29,65 4.298,66 0.388,67 1,68 1.244,69 12.154,70 4.023,71 6.6}
{0 CHEMBL1967302,1 2,3 1,4 -0.134,6 2,7 95.45,8 1,10 4,11 4,12 15.159,14 0.91,15 4.195,16 1.917,17 13.419,18 7,19 5,20 1.899,21 1.941,22 4.038,23 10.081,24 13.575,25 2,26 22,27 10.016,28 4.064,29 1.898,30 5.674,31 3.48,32 3.148,33 4.323,34 3.967,35 5.603,36 1.889,37 3.97,38 1.661,39 5.029,40 3.497,41 3,42 3.476,43 1.556,44 0.681,45 1.572,46 12.27,47 7.97,48 6,49 9.661,50 1.071,51 6.928,52 2.026,53 4.727,54 1.64,55 3.001,56 10.05,57 9.861,58 4.068,59 58.149,60 8.273,61 9.631,62 4.184,63 1.564,64 56,65 5.104,66 0.932,67 1,68 1.794,69 28.846,70 4.84,71 6.8}
{0 CHEMBL1967336,1 4,7 74.355,10 2,11 2,12 4.468,14 0.293,15 3.079,16 1.682,17 3.82,18 2,20 1.632,21 1.737,22 3.834,23 3.3,24 4.023,25 4,26 9,27 2.963,28 3.894,29 1.662,30 1.993,31 3.075,32 2.415,33 3.244,34 3.637,35 4.156,36 1.59,37 3.669,38 1.214,39 4.433,40 2.912,41 2,42 3.127,43 1.535,44 0.017,45 1.025,46 3.359,47 4.96,48 2,49 6.014,50 0.626,51 5.111,52 1.924,53 4.17,54 1.144,55 1.639,56 2.598,57 6.063,58 3.6,59 35.626,60 6.091,61 7.083,62 3.708,63 0.438,64 33,65 4.361,66 0.387,68 1.36,69 9.659,70 4.261,71 5.4}
{0 CHEMBL1967513,1 1,7 57.729,10 2,11 2,12 5.539,14 0.328,15 3.142,16 1.802,17 5.203,18 3,19 4,20 1.64,21 1.838,22 3.909,23 4.139,24 4.859,25 1,26 10,27 2.391,28 3.949,29 1.668,30 2.332,31 3.131,32 5.464,33 8.065,34 3.773,35 10.736,36 1.604,37 3.79,38 1.249,39 4.555,40 5.335,41 2,42 3.185,43 1.527,44 0.118,45 1.125,46 4.71,47 5.557,48 2,49 6.782,50 0.657,51 13.417,52 1.973,53 4.327,54 1.316,55 1.866,56 3.66,57 6.869,58 3.712,59 40.242,60 16.1,61 18.783,62 3.809,63 0.391,64 37,65 4.539,66 0.607,68 1.371,69 12.08,70 4.391,71 5.4}
{0 CHEMBL1967531,7 44.957,10 4,11 4,12 9.068,14 0.587,15 3.681,16 1.853,17 7.942,18 5,19 8,20 1.885,21 1.884,22 3.91,23 6.465,24 8.617,25 1,26 15,27 6.452,28 3.946,29 1.901,30 3.551,31 3.177,32 2.415,33 3.244,34 3.828,35 4.156,36 1.789,37 3.824,38 1.384,39 4.662,40 2.912,41 3,42 3.211,43 1.524,44 0.218,45 1.181,46 6.746,47 6.38,48 3,49 7.672,50 0.872,51 5.111,52 1.991,53 4.407,54 1.402,55 2.206,56 7.32,57 7.905,58 3.843,59 45.697,60 6.091,61 7.083,62 3.955,63 1.735,64 44,65 4.707,66 0.821,68 1.43,69 19.566,70 4.487,71 5.7}
{0 CHEMBL1967544,1 4,7 73.298,10 2,11 2,12 19.332,14 0.906,15 4.39,16 2.045,17 16.791,19 10,20 1.975,21 2.065,22 4.077,23 11.835,24 19.613,25 4,26 27,27 14.706,28 4.098,29 1.972,30 7.102,31 3.655,32 0.413,33 0.246,34 4.031,35 0.157,36 1.911,37 4.028,38 1.634,39 5.165,40 1.2,41 3,42 3.611,43 1.541,44 0.694,45 1.622,46 20.246,47 9.282,48 7,49 11.129,50 1.118,51 0.102,52 2.136,53 4.923,54 1.753,55 3.56,56 17.847,57 11.599,58 4.242,59 70.398,60 0.067,61 0.043,62 4.351,63 0.148,64 67,65 5.349,66 1.278,68 1.774,69 45.207,70 5,71 7.4}
{0 CHEMBL1967560,1 1,3 2,4 0.41,6 7,7 86.568,8 2,10 2,11 2,12 22.543,14 1.095,15 4.692,16 1.785,17 21.339,18 4,19 2,20 1.97,21 1.839,22 3.932,23 16.198,24 22.873,25 1,26 38,27 17.784,28 3.974,29 1.974,30 9.469,31 3.64,32 2.802,33 3.512,34 3.796,35 4.407,36 1.931,37 3.809,38 1.577,39 5.536,40 2.972,41 4,42 3.645,43 1.55,44 0.876,45 1.758,46 23.788,47 10.759,48 7,49 12.943,50 1.211,51 5.391,52 2.037,53 5.239,54 1.766,55 4.918,56 20.87,57 13.302,58 4.426,59 86.843,60 6.416,61 7.46,62 4.568,63 0.201,64 80,65 5.648,66 1.188,67 1,68 1.86,69 52.507,70 5.3,71 5}
{0 CHEMBL1967564,7 53.04,10 2,11 2,12 6.723,14 0.547,15 3.473,16 1.636,17 7.555,18 3,19 4,20 1.701,21 1.691,22 3.786,23 6.396,24 5.281,26 14,27 6.303,28 3.834,29 1.715,30 3.567,31 3.003,32 2.904,33 4.037,34 3.639,35 5.25,36 1.664,37 3.655,38 1.325,39 4.544,40 3.306,41 1,42 3.017,43 1.528,44 0.237,45 1.186,46 5.062,47 5.105,48 3,49 6.097,50 0.779,51 6.501,52 1.904,53 4.284,54 1.391,55 2.158,56 4.74,57 6.238,58 3.614,59 37.279,60 7.771,61 9.051,62 3.743,63 0.393,64 35,65 4.493,66 0.402,68 1.484,69 15.66,70 4.324,71 5}
{0 CHEMBL1967719,1 2,7 36.106,10 1,11 1,12 8.031,14 0.569,15 3.576,16 1.894,17 7.937,18 3,19 11,20 1.673,21 1.914,22 3.92,23 5.434,24 7.217,25 2,26 13,27 3.37,28 3.942,29 1.692,30 3.274,31 3.282,32 1.255,33 1.338,34 3.891,35 1.422,36 1.627,37 3.872,38 1.387,39 4.506,40 2.117,41 2,42 3.28,43 1.517,44 0.218,45 1.181,46 5.802,47 5.484,48 3,49 6.593,50 0.643,51 1.51,52 1.992,53 4.211,54 1.271,55 1.961,56 4.824,57 6.797,58 3.651,59 38.539,60 1.599,61 1.69,62 3.749,63 -0.354,64 37,65 4.504,66 0.567,68 1.565,69 21.019,70 4.337,71 5.5}
{0 CHEMBL1967720,1 2,6 6,7 106.441,10 6,11 6,12 16.048,14 1.04,15 4.195,16 1.853,17 12.585,18 5,19 8,20 1.959,21 1.88,22 3.947,23 10.88,24 17.091,25 2,26 24,27 10.45,28 3.992,29 1.969,30 5.907,31 3.723,32 3.395,33 4.472,34 3.833,35 5.634,36 1.936,37 3.838,38 1.742,39 5.153,40 3.388,41 4,42 3.724,43 1.569,44 0.511,45 1.417,46 13.156,47 9.22,48 6,49 11.103,50 1.052,51 6.847,52 1.989,53 4.869,54 1.59,55 3.355,56 15.144,57 11.501,58 4.247,59 69.903,60 8.094,61 9.362,62 4.366,63 3.025,64 66,65 5.335,66 0.971,67 2,68 1.879,69 37.939,70 4.986,71 6.8}
{0 CHEMBL1967878,1 1,3 1,4 -0.382,6 1,7 84.761,8 4,10 4,11 4,12 20.444,14 1.112,15 4.395,16 1.779,17 18.448,18 5,19 4,20 1.922,21 1.82,22 3.98,23 13.708,24 18.934,25 1,26 30,27 13.931,28 4.022,29 1.916,30 7.629,31 3.555,32 2.914,33 3.983,34 3.888,35 5.165,36 1.923,37 3.89,38 1.668,39 5.361,40 3.272,41 4,42 3.562,43 1.56,44 0.742,45 1.549,46 17.471,47 9.07,48 6,49 11.019,50 1.163,51 6.391,52 1.982,53 5.032,54 1.694,55 3.784,56 12.189,57 11.288,58 4.249,59 72.02,60 7.638,61 8.895,62 4.391,63 1.573,64 67,65 5.471,66 1.071,68 1.772,69 42.678,70 5.133,71 7.3}
{0 CHEMBL1967887,1 2,7 85.322,10 3,11 3,12 8.627,14 0.731,15 3.628,16 1.708,17 8.152,18 2,20 1.761,21 1.735,22 3.85,23 6.673,24 8.215,25 2,26 16,27 7.412,28 3.887,29 1.772,30 4.022,31 3.231,32 0.739,33 0.593,34 3.718,35 0.469,36 1.758,37 3.734,38 1.473,39 4.546,40 1.72,41 2,42 3.23,43 1.502,44 0.206,45 1.149,46 7.168,47 5.203,48 4,49 6.243,50 0.892,51 0.366,52 1.875,53 4.355,54 1.284,55 2.053,56 6.052,57 6.412,58 3.697,59 40.694,60 0.283,61 0.217,62 3.827,63 1.103,64 38,65 4.58,66 0.594,67 1,68 1.695,69 16.934,70 4.35,71 7.3}
{0 CHEMBL1967992,1 2,7 51.26,10 1,11 1,12 9.685,14 0.656,15 3.894,16 1.871,17 9.254,18 3,19 10,20 1.842,21 1.901,22 3.893,23 6.442,24 9.462,25 2,26 15,27 6.459,28 3.926,29 1.843,30 3.941,31 3.096,32 3.574,33 4.963,34 3.836,35 6.378,36 1.828,37 3.828,38 1.255,39 4.585,40 4.069,41 3,42 3.094,43 1.562,44 0.218,45 1.181,46 7.897,47 5.748,48 4,49 6.87,50 0.859,51 7.797,52 1.999,53 4.288,54 1.235,55 2.128,56 6.967,57 7.045,58 3.691,59 40.986,60 9.217,61 10.638,62 3.805,63 -0.399,64 39,65 4.634,66 0.793,67 1,68 1.512,69 16.988,70 4.386,71 5.9}
{0 CHEMBL1967998,1 2,6 3,7 95.156,10 3,11 3,12 17.049,14 0.915,15 4.283,16 1.886,17 14.174,18 6,19 8,20 1.94,21 1.922,22 3.976,23 10.624,24 17.437,25 2,26 25,27 11.198,28 4.025,29 1.945,30 6.201,31 3.577,32 0.705,33 0.443,34 3.866,35 0.293,36 1.932,37 3.871,38 1.682,39 5.164,40 1.2,41 4,42 3.581,43 1.499,44 0.761,45 1.513,46 13.661,47 8.573,48 6,49 10.376,50 1.07,51 0.195,52 2.034,53 4.886,54 1.664,55 3.523,56 10.761,57 10.622,58 4.162,59 64.667,60 0.129,61 0.084,62 4.3,63 0.884,64 61,65 5.226,66 1.021,67 1,68 1.746,69 33.702,70 4.937,71 6.6}
{0 CHEMBL1968070,7 68.919,9 1,10 4,11 4,12 3.889,14 0.268,15 2.88,16 1.751,17 4.007,18 5,19 2,20 1.52,21 1.778,22 3.789,23 3.213,24 4.707,26 8,27 2.399,28 3.818,29 1.568,30 1.526,31 2.991,32 1.687,33 1.721,34 3.683,35 1.766,36 1.403,37 3.694,38 1.093,39 4.373,40 2.117,41 1,42 3.012,43 1.616,45 0.925,46 3.767,47 4.473,48 1,49 5.434,50 0.282,51 1.817,52 1.91,53 4.05,54 1.204,55 1.46,56 1.486,57 5.535,58 3.512,59 31.685,60 1.874,61 1.935,62 3.62,63 2.076,64 30,65 4.439,66 0.151,67 2,68 1.266,69 8.429,70 4.241,71 5}
{0 CHEMBL1968127,1 1,7 46.711,10 1,11 1,12 17.082,14 0.851,15 4.177,16 1.772,17 13.746,18 1,19 1,20 1.908,21 1.825,22 3.86,23 10.504,24 14.425,25 1,26 25,27 11.355,28 3.924,29 1.92,30 6.282,31 3.556,32 0.413,33 0.246,34 3.751,35 0.157,36 1.852,37 3.762,38 1.48,39 5.038,40 1.2,41 3,42 3.581,43 1.528,44 0.531,45 1.417,46 16.462,47 7.745,48 7,49 9.189,50 0.913,51 0.102,52 1.994,53 4.85,54 1.665,55 3.102,56 11.737,57 9.573,58 4.112,59 62.691,60 0.067,61 0.043,62 4.242,63 -0.316,64 58,65 5.381,66 0.955,67 1,68 1.755,69 39.601,70 4.845,71 5}
{0 CHEMBL1968151,1 2,7 41.14,10 1,11 1,12 2.273,14 0.218,15 2.857,16 1.669,17 3.561,18 2,20 1.517,21 1.702,22 3.836,23 2.656,24 2.414,25 2,26 7,27 2.08,28 3.869,29 1.499,30 1.528,31 2.884,32 2.344,33 3.143,34 3.773,35 4.023,36 1.416,37 3.758,38 1.137,39 4.179,40 2.86,41 2,42 2.946,43 1.584,44 0.007,45 0.857,46 1.825,47 4.46,48 1,49 5.425,50 0.588,51 4.946,52 1.866,53 4.035,54 1.107,55 1.458,56 3.22,57 5.573,58 3.466,59 29.036,60 5.892,61 6.852,62 3.559,63 -0.146,64 29,65 4.137,66 0.272,68 1.181,69 7.379,70 4.035,71 5.4}
{0 CHEMBL1968245,1 3,3 1,4 -0.165,6 2,7 83.952,8 1,9 1,10 3,11 3,12 14.033,14 0.907,15 4.086,16 1.884,17 12.675,18 4,19 7,20 1.92,21 1.91,22 3.952,23 8.986,24 12.494,25 3,26 21,27 8.957,28 3.981,29 1.926,30 5.346,31 3.482,32 0.739,33 0.593,34 3.869,35 0.469,36 1.896,37 3.872,38 1.679,39 4.938,40 1.72,41 3,42 3.478,43 1.503,44 0.43,45 1.401,46 11.816,47 7.523,48 7,49 9.062,50 1.059,51 0.366,52 2.012,53 4.645,54 1.616,55 2.813,56 9.574,57 9.293,58 4.012,59 55.883,60 0.283,61 0.217,62 4.127,63 0.857,64 53,65 5.013,66 0.821,68 1.836,69 29.4,70 4.743,71 6.9}
{0 CHEMBL1968380,1 1,3 3,4 0.261,6 6,7 83.995,8 3,10 2,11 2,12 24.541,14 1.112,15 4.742,16 1.827,17 22.827,18 4,19 3,20 1.976,21 1.871,22 3.938,23 17.074,24 24.678,25 1,26 39,27 18.11,28 3.976,29 1.976,30 9.87,31 3.649,32 3.28,33 4.354,34 3.82,35 5.607,36 1.967,37 3.83,38 1.579,39 5.562,40 3.465,41 4,42 3.649,43 1.547,44 0.876,45 1.758,46 24.641,47 10.943,48 7,49 13.164,50 1.211,51 6.929,52 2.046,53 5.248,54 1.78,55 5.044,56 21.436,57 13.54,58 4.432,59 87.76,60 8.278,61 9.639,62 4.57,63 0.175,64 81,65 5.678,66 1.19,67 1,68 1.86,69 53.861,70 5.327,71 5}
{0 CHEMBL1968406,7 61.386,10 4,11 4,12 14.474,14 0.87,15 4.076,16 1.895,17 13.129,18 5,19 12,20 1.896,21 1.924,22 3.942,23 10.283,24 13.234,25 1,26 21,27 9.587,28 3.976,29 1.915,30 5.413,31 3.34,32 2.415,33 3.244,34 3.871,35 4.156,36 1.787,37 3.867,38 1.543,39 4.974,40 2.912,41 2,42 3.347,43 1.541,44 0.486,45 1.372,46 11.604,47 7.958,48 3,49 9.613,50 0.938,51 5.111,52 2.029,53 4.707,54 1.658,55 3.192,56 9.781,57 9.924,58 4.048,59 56.943,60 6.091,61 7.083,62 4.166,63 1.598,64 55,65 5.034,66 0.839,68 1.739,69 29.7,70 4.792,71 6.5}
{0 CHEMBL1968590,1 1,7 38.957,10 3,11 3,12 9.178,14 0.73,15 3.684,16 1.842,17 8.469,18 2,19 3,20 1.764,21 1.856,22 3.979,23 7.455,24 10.329,25 1,26 16,27 6.727,28 3.992,29 1.781,30 4.049,31 3.348,32 1.255,33 1.338,34 3.988,35 1.422,36 1.722,37 3.932,38 1.481,39 4.606,40 2.117,41 2,42 3.324,43 1.555,44 0.496,45 1.317,46 9.062,47 6.353,48 3,49 7.638,50 0.802,51 1.51,52 1.938,53 4.462,54 1.531,55 2.349,56 7.968,57 8.065,58 3.856,59 46.534,60 1.599,61 1.69,62 3.957,63 0.974,64 45,65 4.675,66 0.833,67 1,68 1.672,69 20.967,70 4.464,71 5}
{0 CHEMBL1968606,7 79.398,10 3,11 3,12 8.783,14 0.408,15 3.592,16 1.854,17 7.858,18 5,19 8,20 1.85,21 1.878,22 3.897,23 6.534,24 6.92,26 15,27 5.798,28 3.926,29 1.859,30 3.619,31 3.14,32 2.567,33 3.31,34 3.833,35 4.182,36 1.837,37 3.828,38 1.265,39 4.663,40 2.912,41 3,42 3.191,43 1.55,44 0.218,45 1.181,46 8.304,47 6.031,48 3,49 7.23,50 0.914,51 5.121,52 1.978,53 4.392,54 1.423,55 2.184,56 4.903,57 7.453,58 3.802,59 44.847,60 6.094,61 7.085,62 3.915,63 1.005,64 42,65 4.713,66 0.821,68 1.421,69 19.845,70 4.496,71 5.6}
{0 CHEMBL1968705,1 1,6 4,7 96.873,10 3,11 3,12 19.361,14 1.147,15 4.681,16 1.898,17 19.252,18 8,19 15,20 1.976,21 1.922,22 4.044,23 14.906,24 17.806,25 1,26 33,27 15.222,28 4.08,29 1.975,30 8.593,31 3.683,32 2.988,33 4.056,34 3.946,35 5.254,36 1.977,37 3.956,38 1.661,39 5.416,40 3.306,41 4,42 3.682,43 1.506,44 1.066,45 1.83,46 17.77,47 11.17,48 10,49 13.475,50 1.179,51 6.502,52 2.011,53 5.116,54 1.84,55 4.749,56 21.394,57 13.744,58 4.394,59 82.305,60 7.771,61 9.051,62 4.522,63 0.731,64 78,65 5.421,66 1.229,67 1,68 1.918,69 40.219,70 5.19,71 6.8}
{0 CHEMBL1968791,3 1,4 1.234,6 9,7 45.23,8 2,10 2,11 2,12 22.296,14 1.124,15 4.691,16 1.901,17 20.057,18 1,19 12,20 1.988,21 1.948,22 3.923,23 15.296,24 22.245,25 1,26 33,27 15.424,28 3.967,29 1.978,30 8.832,31 3.708,32 1.603,33 1.778,34 3.849,35 1.991,36 2.005,37 3.844,38 1.729,39 5.359,40 2.302,41 5,42 3.713,43 1.504,44 0.864,45 1.747,46 24.063,47 10.19,48 7,49 12.341,50 1.171,51 2.225,52 2.038,53 5.069,54 1.793,55 4.346,56 19.7,57 12.645,58 4.315,59 76.514,60 2.473,61 2.73,62 4.445,63 0.105,64 73,65 5.453,66 1.137,67 1,68 1.86,69 41.519,70 5.131,71 6.3}
{0 CHEMBL1968850,7 36.022,9 1,10 2,11 2,12 3.556,14 0.238,15 2.738,16 1.751,17 3.833,18 4,19 2,20 1.381,21 1.778,22 3.765,23 2.74,24 3.961,26 7,27 1.98,28 3.798,29 1.426,30 1.469,31 2.861,32 1.27,33 1.34,34 3.669,35 1.423,36 1.274,37 3.676,38 1.005,39 4.247,40 2.117,41 1,42 2.88,43 1.577,45 0.71,46 2.328,47 3.961,49 4.801,50 0.278,51 1.51,52 1.91,53 3.91,54 1.007,55 1.322,56 1.229,57 4.899,58 3.36,59 26.977,60 1.599,61 1.69,62 3.463,63 0.526,64 26,65 4.246,68 1.193,69 8.434,70 4.092,71 5}
{0 CHEMBL1968868,1 1,7 88.789,10 2,11 2,12 5.648,14 0.301,15 3.308,16 1.802,17 5.162,18 3,19 5,20 1.684,21 1.839,22 3.893,23 4.126,24 4.823,25 1,26 10,27 3,28 3.935,29 1.72,30 2.337,31 3.137,32 5.6,33 8.109,34 3.773,35 10.748,36 1.638,37 3.787,38 1.257,39 4.565,40 5.86,41 2,42 3.188,43 1.594,44 0.084,45 1.157,46 4.595,47 5.807,48 2,49 7.054,50 0.706,51 13.42,52 1.966,53 4.34,54 1.261,55 1.943,56 3.865,57 7.116,58 3.734,59 41.381,60 16.101,61 18.783,62 3.834,63 0.365,64 38,65 4.633,66 0.631,67 1,68 1.378,69 13.222,70 4.401,71 5.4}
{0 CHEMBL1968926,1 2,7 38.679,10 1,11 1,12 6.453,14 0.255,15 3.365,16 1.809,17 6.608,18 1,19 6,20 1.536,21 1.845,22 3.889,23 5.106,24 5.26,25 2,26 12,27 5.208,28 3.922,29 1.586,30 3.08,31 3.088,32 5.44,33 7.807,34 3.803,35 10.177,36 1.42,37 3.81,38 1.205,39 4.297,40 6.545,41 3,42 3.044,43 1.573,44 0.218,45 1.181,46 3.896,47 4.772,48 4,49 5.714,50 0.69,51 12.548,52 1.97,53 4.138,54 1.213,55 1.708,56 3.968,57 5.936,58 3.553,59 34.574,60 14.919,61 17.29,62 3.666,63 -0.249,64 33,65 4.331,66 0.424,68 1.339,69 16.77,70 4.106,71 5}
{0 CHEMBL1968930,1 1,7 86.963,9 1,10 4,11 4,12 12.399,14 0.576,15 3.815,16 1.745,17 10.9,18 4,19 3,20 1.874,21 1.801,22 3.846,23 8.268,24 10.583,25 1,26 19,27 8.381,28 3.907,29 1.887,30 4.62,31 3.217,32 0.05,33 0.008,34 3.692,35 0.001,36 1.79,37 3.698,38 1.383,39 4.802,40 0.8,41 2,42 3.222,43 1.527,44 0.472,45 1.417,46 7.369,47 5.905,48 5,49 7.035,50 0.815,52 1.978,53 4.547,54 1.461,55 2.345,56 8.615,57 7.326,58 3.84,59 47.84,62 3.983,63 1.865,64 44,65 5.073,66 0.804,67 1,68 1.529,69 31.635,70 4.592,71 8.6}
{0 CHEMBL1969042,7 39.758,10 5,11 5,12 10.249,14 0.606,15 3.892,16 1.851,17 9.251,18 10,19 12,20 1.945,21 1.876,22 3.883,23 7.083,24 9.449,26 17,27 7.769,28 3.908,29 1.939,30 4.111,31 3.494,32 0.05,33 0.008,34 3.809,35 0.001,36 1.957,37 3.809,38 1.394,39 4.768,40 0.8,41 4,42 3.52,43 1.497,44 0.218,45 1.181,46 9.37,47 6.713,48 4,49 8.092,50 1.031,52 1.984,53 4.443,54 1.414,55 2.354,56 10.992,57 8.239,58 3.916,59 49.03,62 4.015,63 2.474,64 47,65 4.845,66 0.821,67 1,68 1.493,69 21.17,70 4.603,71 6.3}
{0 CHEMBL1969049,1 2,3 1,4 -0.113,6 3,7 53.756,8 1,10 1,11 1,12 13.882,14 0.828,15 4.171,16 1.891,17 12.045,18 3,19 10,20 1.858,21 1.915,22 3.927,23 9.613,24 15.014,25 2,26 22,27 9.745,28 3.953,29 1.859,30 5.856,31 3.32,32 1.594,33 1.614,34 3.858,35 1.674,36 1.85,37 3.856,38 1.469,39 4.823,40 2.162,41 3,42 3.327,43 1.519,44 0.57,45 1.551,46 13.458,47 6.831,48 5,49 8.114,50 0.883,51 1.758,52 2.019,53 4.606,54 1.518,55 2.772,56 9.974,57 8.45,58 3.941,59 53.567,60 1.859,61 1.973,62 4.055,63 -0.408,64 50,65 4.966,66 0.821,68 1.725,69 25.449,70 4.644,71 7.6}
{0 CHEMBL1969102,1 2,7 79.605,10 5,11 5,12 13.446,14 0.697,15 4.077,16 1.884,17 10.953,18 6,19 10,20 1.933,21 1.913,22 3.937,23 8.992,24 12.42,25 2,26 20,27 8.95,28 3.973,29 1.931,30 4.922,31 3.624,32 2.415,33 3.244,34 3.861,35 4.156,36 1.891,37 3.858,38 1.47,39 4.899,40 2.912,41 4,42 3.629,43 1.528,44 0.522,45 1.428,46 11.158,47 8.012,48 4,49 9.618,50 1.056,51 5.111,52 2.014,53 4.671,54 1.589,55 2.858,56 11.323,57 9.953,58 4.075,59 58.026,60 6.091,61 7.083,62 4.193,63 2.345,64 56,65 5.017,66 1.075,67 1,68 1.574,69 27.589,70 4.732,71 6.8}
{0 CHEMBL1969126,3 1,4 0.133,6 6,7 29.593,8 1,12 8.449,14 0.733,15 3.69,16 1.846,17 8.013,19 2,20 1.862,21 1.868,22 4.034,23 6.806,24 8.149,26 15,27 5.913,28 4.082,29 1.86,30 3.904,31 3.441,34 3.869,36 1.88,37 3.893,38 1.506,39 4.813,41 3,42 3.433,43 1.571,44 0.37,45 1.353,46 9.591,47 6.97,48 3,49 8.434,50 1.017,52 1.966,53 4.583,54 1.558,55 2.661,56 8.008,57 8.621,58 3.925,59 48.872,62 4.03,63 -0.707,64 47,65 4.883,66 0.805,68 1.619,69 20.231,70 4.629,71 5}
{0 CHEMBL1969151,1 1,3 2,4 1.06,6 8,7 45.467,8 2,9 1,10 2,11 2,12 15.891,14 0.825,15 4.087,16 1.827,17 14.141,18 4,19 4,20 1.888,21 1.877,22 3.917,23 10.328,24 15.223,25 1,26 23,27 10.312,28 3.979,29 1.912,30 5.848,31 3.263,32 0.413,33 0.246,34 3.778,35 0.157,36 1.8,37 3.775,38 1.465,39 5.063,40 1.2,41 3,42 3.268,43 1.512,44 0.643,45 1.513,46 12.17,47 7.172,48 4,49 8.63,50 0.929,51 0.102,52 1.997,53 4.765,54 1.593,55 3.02,56 10.048,57 8.909,58 3.995,59 55.671,60 0.067,61 0.043,62 4.134,63 0.289,64 52,65 5.195,66 0.94,67 1,68 1.746,69 34.302,70 4.827,71 8.9}
{0 CHEMBL1969156,1 2,7 23.608,10 2,11 2,12 4.817,14 0.218,15 3.24,16 1.769,17 4.896,20 1.506,21 1.811,22 3.823,23 4.089,24 4.535,25 2,26 10,27 4.477,28 3.859,29 1.524,30 2.361,31 2.869,34 3.742,36 1.432,37 3.743,38 0.941,39 4.208,41 2,42 2.89,43 1.503,44 0.054,45 1.14,46 4.322,47 4.032,48 1,49 4.842,50 0.429,52 1.943,53 3.995,54 1.143,55 1.418,56 2.793,57 4.93,58 3.401,59 29.239,62 3.529,63 0.451,64 28,65 4.21,68 1.192,69 10.485,70 4.008,71 4.3}
{0 CHEMBL1969190,7 36.022,10 4,11 4,12 9.512,14 0.579,15 3.717,16 1.845,17 7.692,18 5,19 4,20 1.88,21 1.87,22 3.932,23 6.806,24 8.855,26 16,27 6.412,28 3.962,29 1.887,30 3.833,31 3.173,32 2.508,33 3.275,34 3.824,35 4.165,36 1.867,37 3.835,38 1.315,39 4.798,40 2.912,41 3,42 3.212,43 1.543,44 0.302,45 1.372,46 8.966,47 7.014,48 4,49 8.473,50 0.975,51 5.114,52 1.98,53 4.553,54 1.513,55 2.426,56 8.162,57 8.619,58 3.978,59 52.207,60 6.092,61 7.084,62 4.077,63 1.664,64 49,65 4.87,66 0.821,68 1.574,69 19.316,70 4.65,71 5.9}
{0 CHEMBL1969264,6 9,7 69.42,10 2,11 2,12 12.995,14 0.685,15 3.899,16 1.887,17 9.893,18 6,19 3,20 1.939,21 1.914,22 3.923,23 8.429,24 7.396,26 18,27 8.099,28 3.95,29 1.926,30 4.699,31 3.348,32 1.255,33 1.338,34 3.852,35 1.422,36 1.962,37 3.854,38 1.523,39 4.82,40 2.117,41 1,42 3.355,43 1.597,44 0.469,45 1.417,46 8.369,47 6.305,48 2,49 7.513,50 1.1,51 1.51,52 2.014,53 4.535,54 1.317,55 2.499,56 7.162,57 7.837,58 3.847,59 47.109,60 1.599,61 1.69,62 3.97,63 0.255,64 45,65 5.008,66 0.804,68 1.607,69 27.135,70 4.628,71 5}
{0 CHEMBL1969301,4 0.093,6 2,7 86.809,8 1,10 1,11 1,12 18.626,14 1.084,15 4.547,16 1.898,17 19.311,18 1,19 12,20 2.002,21 1.919,22 3.929,23 14.632,24 17.701,26 31,27 13.892,28 3.952,29 1.995,30 8.197,31 3.53,32 4.029,33 5.333,34 3.869,35 6.695,36 2.008,37 3.869,38 1.706,39 5.353,40 4.069,41 3,42 3.519,43 1.612,44 0.825,45 1.602,46 18.42,47 9.766,48 7,49 11.683,50 1.124,51 8.078,52 2.028,53 5.007,54 1.697,55 4.463,56 18.809,57 11.986,58 4.245,59 73.308,60 9.472,61 10.869,62 4.375,63 -0.392,64 68,65 5.411,66 1.064,68 1.942,69 41.173,70 5.117,71 5}
{0 CHEMBL1969372,1 3,7 44.255,10 1,11 1,12 8.657,14 0.766,15 3.766,16 1.805,17 8.383,20 1.905,21 1.851,22 3.852,23 6.586,24 8.621,25 3,26 17,27 7.245,28 3.885,29 1.926,30 4.157,31 3.331,32 0.763,33 0.597,34 3.756,35 0.47,36 1.841,37 3.764,38 1.508,39 4.766,40 1.72,41 3,42 3.34,43 1.504,44 0.407,45 1.337,46 9.64,47 6.688,48 6,49 8.075,50 0.981,51 0.367,52 1.982,53 4.583,54 1.487,55 2.472,56 9.015,57 8.223,58 3.919,59 50.03,60 0.283,61 0.217,62 4.036,63 -0.272,64 47,65 4.784,66 0.821,68 1.742,69 19,70 4.566,71 5}
{0 CHEMBL1969483,1 1,7 69.699,10 2,11 2,12 22.434,14 1.024,15 4.731,16 1.888,17 19.087,18 4,19 10,20 2.003,21 1.921,22 3.964,23 14.63,24 22.496,25 1,26 34,27 15.584,28 4.004,29 1.992,30 8.744,31 3.807,32 3.189,33 4.33,34 3.875,35 5.604,36 2.011,37 3.87,38 1.778,39 5.427,40 3.497,41 6,42 3.797,43 1.524,44 0.825,45 1.719,46 23.602,47 12.056,48 9,49 14.563,50 1.146,51 6.928,52 2.045,53 5.191,54 1.837,55 4.656,56 21.218,57 15.014,58 4.494,59 89.723,60 8.273,61 9.631,62 4.613,63 0.105,64 86,65 5.527,66 1.351,67 2,68 1.875,69 42.86,70 5.232,71 5.4}
{0 CHEMBL1969502,4 0.249,7 71.882,8 2,10 3,11 3,12 10.451,14 0.731,15 3.82,16 1.869,17 9.992,18 7,19 9,20 1.741,21 1.896,22 4.024,23 7.376,24 9.776,25 1,26 16,27 7.018,28 4.054,29 1.759,30 4.107,31 3.36,32 3,33 4.068,34 3.959,35 5.259,36 1.687,37 3.953,38 1.399,39 4.821,40 3.306,41 3,42 3.368,43 1.595,44 0.376,45 1.428,46 7.948,47 6.831,48 3,49 8.321,50 0.847,51 6.504,52 1.989,53 4.5,54 1.581,55 2.506,56 5.846,57 8.454,58 3.881,59 46.903,60 7.772,61 9.051,62 3.993,63 0.936,64 46,65 4.872,66 0.821,67 1,68 1.55,69 21.386,70 4.646,71 6.3}
{0 CHEMBL1969506,1 1,2 1,6 9,7 57.416,10 4,11 4,12 15.526,13 1,14 0.946,15 4.055,16 1.93,17 12.282,18 3,19 6,20 1.925,21 1.948,22 4.06,23 10.203,24 10.314,25 1,26 23,27 12.126,28 4.049,29 1.944,30 5.751,31 3.581,32 3.476,33 4.871,34 3.999,35 6.339,36 1.945,37 3.966,38 1.696,39 5.078,40 3.872,41 3,42 3.556,43 1.665,44 0.469,45 1.453,46 10.339,47 8.321,48 8,49 9.989,50 1.117,51 7.84,52 2.043,53 4.829,54 1.707,55 3.151,56 12.975,57 10.461,58 4.183,59 65.405,60 9.359,61 10.891,62 4.28,63 1.605,64 61,65 5.266,66 1.003,67 4,68 1.813,69 37.464,70 4.931,71 6.1}
{0 CHEMBL1969523,1 1,3 1,4 -0.063,6 3,7 106.654,8 1,10 3,11 3,12 16.047,14 0.759,15 4.188,16 1.852,17 12.7,18 2,19 5,20 1.921,21 1.883,22 3.912,23 10.476,24 12.887,25 1,26 25,27 11.427,28 3.945,29 1.92,30 6.315,31 3.557,32 0.451,33 0.178,34 3.818,35 0.066,36 1.866,37 3.828,38 1.64,39 4.961,40 1.2,41 3,42 3.572,43 1.551,44 0.606,45 1.544,46 10.676,47 7.258,48 5,49 8.556,50 0.933,51 0.024,52 2.018,53 4.73,54 1.546,55 3.075,56 10.955,57 9.005,58 4.053,59 60.062,60 0.009,61 0.003,62 4.18,63 0.917,64 55,65 5.247,66 0.804,67 2,68 1.733,69 34.111,70 4.764,71 6.2}
{0 CHEMBL1969537,7 14.881,10 2,12 4.543,14 0.358,15 2.94,16 1.525,17 5.522,20 1.615,21 1.552,22 3.829,23 3.721,24 2.357,26 8,27 3.762,28 3.872,29 1.592,30 2.029,31 3.174,34 3.711,36 1.557,37 3.707,38 1.293,39 4.382,41 1,42 3.116,43 1.708,45 0.77,46 3.058,47 4.888,49 6.03,50 0.928,52 1.756,53 4.205,54 1.317,55 1.763,56 3.344,57 6.248,58 3.563,59 31.165,62 3.648,63 0.557,64 32,65 4.323,66 0.1,68 1.198,69 15.937,70 4.231,71 5}
{0 CHEMBL1969561,1 1,3 1,4 0.066,6 6,7 53.124,8 1,10 1,11 1,12 13.578,14 0.788,15 4.117,16 1.882,17 12.068,18 2,19 17,20 1.926,21 1.912,22 3.966,23 9.515,24 11.626,25 1,26 22,27 10.034,28 4.016,29 1.92,30 5.74,31 3.471,32 1.543,33 1.746,34 3.86,35 1.994,36 1.939,37 3.86,38 1.485,39 4.93,40 2.293,41 3,42 3.476,43 1.552,44 0.494,45 1.465,46 9.824,47 7.37,48 5,49 8.775,50 1.131,51 2.264,52 2.012,53 4.718,54 1.593,55 2.998,56 15.701,57 9.095,58 4.017,59 56.521,60 2.551,61 2.851,62 4.15,63 -0.323,64 53,65 5.117,66 0.848,67 2,68 1.64,69 29.703,70 4.73,71 6.5}
{0 CHEMBL1969588,1 1,7 29.654,9 1,10 2,11 2,12 9.018,14 0.678,15 3.777,16 1.871,17 9.057,18 4,19 10,20 1.911,21 1.899,22 3.921,23 6.369,24 9.356,25 1,26 15,27 6.04,28 3.959,29 1.92,30 3.728,31 3.226,32 0.317,33 0.149,34 3.851,35 0.067,36 1.859,37 3.845,38 1.405,39 4.663,40 1.315,41 3,42 3.231,43 1.501,44 0.276,45 1.181,46 7.918,47 6.174,48 4,49 7.445,50 0.907,51 0.03,52 1.995,53 4.399,54 1.472,55 2.232,56 6.718,57 7.634,58 3.784,59 43.428,60 0.013,61 0.006,62 3.898,63 0.255,64 42,65 4.668,66 0.795,67 1,68 1.57,69 17.988,70 4.468,71 7.6}
{0 CHEMBL1969664,1 1,7 78.275,10 2,11 2,12 12.706,14 0.825,15 3.855,16 1.823,17 10.77,18 4,19 1,20 1.889,21 1.859,22 3.886,23 7.763,24 10.786,25 1,26 18,27 8.155,28 3.934,29 1.897,30 4.579,31 3.354,32 3.62,33 4.973,34 3.77,35 6.38,36 1.869,37 3.775,38 1.432,39 4.842,40 4.069,41 3,42 3.373,43 1.599,44 0.446,45 1.356,46 9.38,47 6.539,48 3,49 7.971,50 1.014,51 7.797,52 1.999,53 4.576,54 1.429,55 2.551,56 5.641,57 8.119,58 3.885,59 48.318,60 9.217,61 10.638,62 3.994,63 0.273,64 46,65 4.954,66 0.757,67 1,68 1.548,69 24.539,70 4.651,71 5.1}
{0 CHEMBL1969735,1 2,7 48.265,9 1,10 2,11 2,12 14.013,14 0.773,15 3.884,16 1.808,17 11.525,18 2,19 1,20 1.97,21 1.85,22 3.854,23 8.575,24 11.135,25 2,26 20,27 8.148,28 3.901,29 1.966,30 4.95,31 3.567,32 0.05,33 0.008,34 3.76,35 0.001,36 1.903,37 3.767,38 1.679,39 4.974,40 0.8,41 3,42 3.577,43 1.557,44 0.469,45 1.415,46 9.77,47 7.427,48 6,49 8.922,50 0.984,52 1.978,53 4.711,54 1.44,55 2.82,56 11.796,57 9.222,58 4.033,59 56.805,62 4.15,63 0.276,64 53,65 5.221,66 0.821,68 1.772,69 37.319,70 4.789,71 5}
{0 CHEMBL1969755,1 2,3 1,4 -0.482,6 2,7 38.64,8 1,10 2,11 2,12 12.156,14 0.847,15 3.932,16 1.893,17 11.546,18 2,19 9,20 1.859,21 1.923,22 3.919,23 8.316,24 11.165,25 2,26 19,27 8.185,28 3.952,29 1.867,30 4.997,31 3.422,32 1.255,33 1.338,34 3.86,35 1.422,36 1.836,37 3.852,38 1.557,39 4.865,40 2.117,41 3,42 3.426,43 1.516,44 0.241,45 1.228,46 10.485,47 6.696,48 6,49 8.073,50 0.964,51 1.51,52 2.026,53 4.521,54 1.318,55 2.547,56 7.351,57 8.231,58 3.894,59 50.492,60 1.599,61 1.69,62 4.001,63 0.213,64 47,65 4.932,66 0.821,68 1.763,69 25.141,70 4.665,71 5.9}
{0 CHEMBL1969843,1 1,4 0.643,6 5,7 46.603,8 1,10 1,11 1,12 10.54,14 0.816,15 3.676,16 1.778,17 10.537,18 2,19 4,20 1.675,21 1.828,22 3.916,23 7.648,24 7.839,25 1,26 17,27 8.027,28 3.981,29 1.705,30 4.466,31 3.107,32 0.739,33 0.593,34 3.734,35 0.469,36 1.612,37 3.745,38 1.31,39 4.784,40 1.72,41 3,42 3.127,43 1.5,44 0.406,45 1.361,46 5.71,47 5.812,48 3,49 7.069,50 0.825,51 0.366,52 2.012,53 4.51,54 1.429,55 2.379,56 5.51,57 7.173,58 3.776,59 43.192,60 0.283,61 0.217,62 3.907,63 -0.244,64 41,65 4.858,66 0.698,67 2,68 1.513,69 22.856,70 4.553,71 6}
{0 CHEMBL1969879,3 1,4 0.606,6 3,7 45.815,8 2,10 2,11 2,12 13.722,14 0.803,15 3.824,16 1.726,17 11.881,18 2,20 1.705,21 1.771,22 3.891,23 8.742,24 14.987,25 1,26 21,27 9.793,28 3.949,29 1.724,30 5.117,31 3.176,32 3.221,33 4.458,34 3.737,35 5.792,36 1.66,37 3.74,38 1.433,39 4.922,40 3.579,41 2,42 3.189,43 1.548,44 0.602,45 1.501,46 13.687,47 5.938,48 3,49 7.158,50 0.813,51 7.166,52 1.93,53 4.649,54 1.563,55 2.56,56 8.738,57 7.365,58 3.867,59 49.232,60 8.56,61 9.966,62 4.005,63 0.393,64 45,65 5.104,66 0.79,67 1,68 1.641,69 29.902,70 4.699,71 5}
{0 CHEMBL1969942,7 54.829,10 3,11 3,12 9.183,14 0.497,15 3.733,16 1.85,17 8.448,18 5,19 6,20 1.883,21 1.879,22 3.927,23 6.453,24 8.096,26 15,27 6.308,28 3.963,29 1.878,30 3.725,31 3.233,32 2.415,33 3.244,34 3.828,35 4.156,36 1.891,37 3.833,38 1.362,39 4.724,40 2.912,41 3,42 3.264,43 1.519,44 0.218,45 1.181,46 6.889,47 6.481,48 3,49 7.813,50 0.996,51 5.111,52 1.989,53 4.424,54 1.515,55 2.275,56 6.806,57 7.944,58 3.843,59 46.034,60 6.091,61 7.083,62 3.958,63 0.936,64 44,65 4.726,66 0.805,68 1.52,69 18.041,70 4.537,71 7.1}
{0 CHEMBL1970006,7 22.506,10 4,11 4,12 9.877,14 0.65,15 3.599,16 1.774,17 8.732,18 4,19 1,20 1.861,21 1.808,22 4.026,23 7.711,24 11.836,26 18,27 10.663,28 4.026,29 1.805,30 4.301,31 3.178,32 0.354,33 0.157,34 3.929,35 0.069,36 1.663,37 3.902,38 1.468,39 4.743,40 1.315,41 2,42 3.207,43 1.567,44 0.599,45 1.493,46 11.653,47 5.735,48 5,49 6.864,50 0.927,51 0.03,52 1.963,53 4.544,54 1.489,55 2.129,56 6.805,57 7.251,58 3.861,59 47.82,60 0.013,61 0.006,62 3.983,63 1.901,64 44,65 4.822,66 0.744,68 1.639,69 22.553,70 4.56,71 5}
{0 CHEMBL1970074,7 71.413,10 3,11 3,12 10.852,14 0.761,15 3.837,16 1.879,17 9.451,18 6,19 8,20 1.885,21 1.905,22 3.949,23 7.72,24 9.674,26 17,27 6.72,28 3.982,29 1.88,30 4.335,31 3.288,32 5.464,33 8.065,34 3.858,35 10.736,36 1.894,37 3.862,38 1.497,39 4.843,40 5.335,41 3,42 3.294,43 1.537,44 0.279,45 1.228,46 10.147,47 7.266,48 3,49 8.784,50 0.997,51 13.417,52 2.008,53 4.622,54 1.536,55 2.624,56 7.789,57 8.951,58 3.979,59 53.543,60 16.1,61 18.783,62 4.092,63 0.9,64 50,65 4.985,66 0.832,68 1.72,69 23.679,70 4.67,71 5.8}
{0 CHEMBL1970083,1 3,7 70.923,10 4,11 4,12 11.387,14 0.827,15 3.913,16 1.882,17 9.657,18 4,19 11,20 1.975,21 1.905,22 3.957,23 7.553,24 12.066,25 3,26 17,27 5.819,28 3.985,29 1.972,30 4.181,31 3.683,32 5.464,33 8.065,34 3.86,35 10.736,36 1.965,37 3.868,38 1.675,39 4.972,40 5.335,41 4,42 3.672,43 1.55,44 0.322,45 1.32,46 10.051,47 8.612,48 4,49 10.486,50 1.082,51 13.417,52 2.009,53 4.735,54 1.566,55 2.921,56 10.851,57 10.703,58 4.133,59 61.301,60 16.1,61 18.783,62 4.231,63 1.525,64 58,65 5.097,66 0.839,68 1.759,69 24.962,70 4.823,71 6.4}
{0 CHEMBL1970104,7 66.54,10 2,11 2,12 13.157,14 0.634,15 3.953,16 1.904,17 10.781,18 2,19 10,20 1.816,21 1.926,22 4.007,23 8.532,24 10.667,26 18,27 8.343,28 4.043,29 1.819,30 4.787,31 3.242,34 3.924,36 1.835,37 3.929,38 1.513,39 4.727,41 2,42 3.247,43 1.562,44 0.469,45 1.417,46 7.235,47 5.951,48 2,49 7.073,50 0.967,52 2.004,53 4.491,54 1.376,55 2.394,56 6.735,57 7.398,58 3.797,59 44.9,62 3.929,63 0.259,64 43,65 4.993,66 0.804,68 1.603,69 25.766,70 4.538,71 6.3}
{0 CHEMBL1970142,1 2,3 1,4 -0.434,6 3,7 91.554,8 1,10 5,11 5,12 16.849,14 1.026,15 4.379,16 1.884,17 14.461,18 5,19 9,20 1.944,21 1.913,22 3.941,23 12.097,24 17.757,25 2,26 27,27 12.264,28 3.984,29 1.95,30 6.799,31 3.698,32 3.423,33 4.513,34 3.861,35 5.693,36 1.904,37 3.858,38 1.685,39 5.165,40 3.416,41 4,42 3.704,43 1.559,44 0.663,45 1.571,46 14.597,47 9.586,48 6,49 11.477,50 1.082,51 6.928,52 2.015,53 4.93,54 1.634,55 3.669,56 14.998,57 11.933,58 4.28,59 72.979,60 8.196,61 9.487,62 4.404,63 2.214,64 69,65 5.296,66 1.183,67 2,68 1.857,69 37.552,70 4.987,71 7}
{0 CHEMBL1970189,4 -0.365,7 89.445,8 1,10 3,11 3,12 7.113,14 0.194,15 3.205,16 1.67,17 6.054,18 3,20 1.726,21 1.692,22 3.826,23 5.074,24 6.97,26 11,27 4.098,28 3.862,29 1.757,30 2.568,31 2.856,32 4.07,33 5.62,34 3.717,35 7.233,36 1.664,37 3.726,38 1.131,39 4.399,40 4.525,41 2,42 2.847,43 1.652,44 0.094,45 1.111,46 5.489,47 4.775,48 1,49 5.766,50 0.716,51 8.862,52 1.816,53 4.171,54 1.25,55 1.727,56 4.47,57 5.955,58 3.576,59 34.807,60 10.494,61 12.128,62 3.682,63 1.152,64 33,65 4.576,66 0.594,68 1.253,69 17.843,70 4.263,71 5}
{0 CHEMBL1970203,7 80.618,10 5,11 5,12 12.663,14 0.719,15 3.962,16 1.869,17 9.878,18 8,19 10,20 1.928,21 1.898,22 3.963,23 8.987,24 10.272,25 1,26 20,27 8.823,28 3.995,29 1.95,30 4.836,31 3.222,32 2.617,33 3.348,34 3.892,35 4.204,36 1.839,37 3.889,38 1.472,39 4.868,40 2.912,41 3,42 3.269,43 1.555,44 0.526,45 1.455,46 11.005,47 7.56,48 4,49 9.025,50 0.949,51 5.132,52 2.006,53 4.657,54 1.557,55 2.761,56 9.369,57 9.4,58 4.046,59 57.235,60 6.1,61 7.087,62 4.165,63 2.413,64 54,65 5.037,66 0.889,67 2,68 1.639,69 29.933,70 4.706,71 5}
{0 CHEMBL1970217,1 2,3 1,4 -0.111,6 3,7 53.756,8 1,10 1,11 1,12 13.615,14 0.828,15 4.171,16 1.891,17 12.049,18 3,19 8,20 1.871,21 1.915,22 3.928,23 9.613,24 14.611,25 2,26 22,27 9.745,28 3.954,29 1.87,30 5.856,31 3.311,32 1.594,33 1.614,34 3.858,35 1.674,36 1.873,37 3.856,38 1.462,39 4.823,40 2.162,41 3,42 3.317,43 1.518,44 0.549,45 1.514,46 13.25,47 6.832,48 5,49 8.114,50 0.945,51 1.758,52 2.02,53 4.606,54 1.515,55 2.772,56 9.17,57 8.45,58 3.941,59 53.567,60 1.859,61 1.973,62 4.055,63 -0.408,64 50,65 4.975,66 0.821,68 1.721,69 25.754,70 4.644,71 7.7}
{0 CHEMBL1970314,1 1,7 44.089,10 4,11 4,12 8.126,14 0.301,15 3.541,16 1.825,17 7.311,18 3,19 1,20 1.632,21 1.854,22 3.862,23 5.713,24 7.832,25 1,26 13,27 5.731,28 3.896,29 1.649,30 3.194,31 3.106,32 1.045,33 1.019,34 3.792,35 0.993,36 1.615,37 3.791,38 1.213,39 4.447,40 1.96,41 2,42 3.132,43 1.541,44 0.156,45 1.079,46 6.897,47 4.997,48 2,49 6.002,50 0.652,51 0.967,52 1.957,53 4.164,54 1.293,55 1.769,56 4.881,57 6.145,58 3.606,59 36.78,60 0.942,61 0.917,62 3.725,63 1.879,64 35,65 4.534,66 0.445,68 1.384,69 15.185,70 4.284,71 5}
{0 CHEMBL1970317,1 2,7 55.893,10 4,11 4,12 12.454,14 0.777,15 3.967,16 1.853,17 9.886,18 5,19 6,20 1.932,21 1.88,22 3.929,23 8.262,24 11.805,25 2,26 19,27 8.018,28 3.97,29 1.929,30 4.664,31 3.655,32 2.415,33 3.244,34 3.833,35 4.156,36 1.893,37 3.836,38 1.508,39 4.919,40 2.912,41 4,42 3.66,43 1.54,44 0.481,45 1.399,46 10.156,47 8.039,48 4,49 9.69,50 1.043,51 5.111,52 1.988,53 4.687,54 1.586,55 2.817,56 11.259,57 9.998,58 4.084,59 58.365,60 6.091,61 7.083,62 4.197,63 1.573,64 56,65 4.997,66 0.839,67 2,68 1.722,69 25.681,70 4.753,71 5.7}
{0 CHEMBL1970340,10 3,11 3,12 5.632,14 0.237,15 3.16,16 1.739,17 5.372,18 3,20 1.56,21 1.76,22 3.83,23 4.295,24 5.024,26 10,27 4.507,28 3.851,29 1.621,30 2.422,31 2.901,34 3.735,36 1.434,37 3.741,38 0.973,39 4.223,41 2,42 2.905,43 1.511,44 0.006,45 1.031,46 4.89,47 4.174,48 1,49 5.034,50 0.359,52 1.864,53 3.962,54 1.131,55 1.453,56 1.74,57 5.124,58 3.451,59 30.076,62 3.544,63 1.193,64 29,65 4.256,66 0.162,67 2,68 1.169,69 11.176,70 4.073,71 6}
{0 CHEMBL1970352,6 3,7 24.142,10 1,11 1,12 10.971,14 0.904,15 3.954,16 1.873,17 10.564,18 2,19 9,20 1.81,21 1.896,22 3.884,23 8.378,24 11.047,26 18,27 4.025,28 3.909,29 1.812,30 4.667,31 3.35,32 2.817,33 3.808,34 3.994,35 4.825,36 1.82,37 3.839,38 1.467,39 4.788,40 3.349,41 2,42 3.294,43 1.574,44 0.374,45 1.259,46 14.627,47 6.924,48 4,49 8.371,50 0.951,51 5.851,52 1.982,53 4.542,54 1.61,55 2.812,56 14.773,57 8.695,58 3.913,59 49.584,60 6.88,61 7.91,62 4.001,63 -0.382,64 48,65 4.855,66 0.821,68 1.756,69 27.497,70 4.636,71 5.4}
{0 CHEMBL1970369,1 1,4 -0.299,6 2,7 73.769,8 1,10 3,11 3,12 10.506,14 0.717,15 3.699,16 1.797,17 10.625,18 3,19 5,20 1.647,21 1.848,22 3.924,23 7.748,24 8.843,25 1,26 17,27 7.628,28 3.969,29 1.683,30 4.285,31 3.176,32 3.042,33 4.057,34 3.754,35 5.198,36 1.587,37 3.769,38 1.314,39 4.868,40 3.272,41 3,42 3.207,43 1.578,44 0.407,45 1.357,46 6.621,47 6.461,48 3,49 7.859,50 0.828,51 6.405,52 2.022,53 4.563,54 1.55,55 2.519,56 5.06,57 7.967,58 3.881,59 47.611,60 7.643,61 8.897,62 3.998,63 1.045,64 45,65 4.965,66 0.745,67 2,68 1.551,69 26.439,70 4.672,71 5}
{0 CHEMBL1970522,7 34.796,10 2,11 2,12 7.08,14 0.555,15 3.501,16 1.854,17 7.052,18 2,19 7,20 1.613,21 1.884,22 3.887,23 5.758,24 7.225,26 14,27 5.92,28 3.914,29 1.653,30 3.489,31 3.026,32 5.8,33 8.334,34 3.818,35 10.885,36 1.586,37 3.815,38 1.266,39 4.473,40 7.134,41 3,42 3.043,43 1.594,44 0.218,45 1.181,46 6.677,47 5.505,48 3,49 6.597,50 0.63,51 13.438,52 1.988,53 4.283,54 1.424,55 1.956,56 4.65,57 6.841,58 3.732,59 41.036,60 15.994,61 18.553,62 3.814,63 0.321,64 39,65 4.466,66 0.723,67 1,68 1.489,69 15.359,70 4.333,71 5.2}
{0 CHEMBL1970709,1 1,7 63.838,10 3,11 3,12 7.689,14 0.408,15 3.374,16 1.88,17 7.562,18 5,19 8,20 1.652,21 1.903,22 3.917,23 5.485,24 6.177,25 1,26 13,27 3.619,28 3.946,29 1.694,30 3.079,31 3.146,32 2.443,33 3.261,34 3.879,35 4.173,36 1.551,37 3.859,38 1.309,39 4.51,40 2.921,41 2,42 3.142,43 1.515,44 0.218,45 1.181,46 4.531,47 5.167,48 3,49 6.227,50 0.686,51 5.131,52 1.992,53 4.255,54 1.309,55 1.84,56 4.411,57 6.396,58 3.651,59 38.12,60 6.114,61 7.11,62 3.771,63 1.109,64 36,65 4.558,66 0.595,67 2,68 1.464,69 24.165,70 4.324,71 6.4}
{0 CHEMBL1970735,6 2,7 73.847,10 3,11 3,12 5.884,14 0.462,15 3.27,16 1.524,17 5.504,18 4,19 1,20 1.7,21 1.593,22 3.595,23 5.486,24 4.641,26 14,27 6.178,28 3.661,29 1.706,30 3.241,31 2.971,32 3.982,33 5.295,34 3.419,35 6.658,36 1.699,37 3.405,38 1.078,39 4.375,40 4.069,41 1,42 2.993,43 1.615,45 1.128,46 5.68,47 4.178,48 4,49 4.918,50 0.711,51 8.039,52 1.832,53 4.178,54 1.274,55 1.879,56 4.973,57 5.095,58 3.514,59 35.488,60 9.429,61 10.824,62 3.646,63 1.309,64 31,65 4.347,66 0.3,68 1.345,69 14.16,70 4.168,71 5}
{0 CHEMBL1970806,1 2,7 51.278,10 1,11 1,12 8.119,14 0.695,15 3.437,16 1.798,17 9.375,18 2,19 5,20 1.838,21 1.835,22 3.884,23 6.546,24 5.34,25 2,26 13,27 5.415,28 3.921,29 1.871,30 3.35,31 3.27,32 2.344,33 3.143,34 3.79,35 4.023,36 1.68,37 3.792,38 1.201,39 4.692,40 2.86,41 2,42 3.23,43 1.594,44 0.295,45 1.209,46 4.822,47 6.095,48 1,49 7.443,50 0.91,51 4.946,52 1.959,53 4.442,54 1.343,55 2.375,56 4.499,57 7.621,58 3.753,59 40.282,60 5.892,61 6.852,62 3.858,63 -0.241,64 40,65 4.656,66 0.658,67 1,68 1.427,69 22.343,70 4.507,71 5}
{0 CHEMBL1970873,7 44.847,10 2,11 2,12 7.691,14 0.332,15 3.39,16 1.85,17 6.999,18 5,19 2,20 1.531,21 1.878,22 3.815,23 5.515,24 6.99,26 12,27 5.343,28 3.844,29 1.532,30 3.086,31 2.978,32 1.27,33 1.34,34 3.762,35 1.423,36 1.55,37 3.756,38 1.149,39 4.42,40 2.117,41 1,42 2.989,43 1.559,44 0.174,45 1.101,46 4.443,47 4.436,49 5.306,50 0.63,51 1.51,52 1.983,53 4.103,54 1.154,55 1.674,56 2.652,57 5.472,58 3.483,59 32.282,60 1.599,61 1.69,62 3.599,63 0.353,64 31,65 4.537,66 0.261,68 1.335,69 16.206,70 4.25,71 4.3}
{0 CHEMBL1970879,3 2,4 0.689,6 8,7 68.412,8 2,10 3,11 3,12 27.59,14 1.14,15 4.852,16 1.907,17 23.28,18 2,19 11,20 2.022,21 1.933,22 4.115,23 17.402,24 30.386,25 1,26 39,27 18.125,28 4.154,29 2.021,30 10.019,31 3.711,32 3.157,33 4.192,34 3.993,35 5.4,36 2.003,37 4.012,38 1.773,39 5.611,40 3.348,41 5,42 3.727,43 1.576,44 0.869,45 1.76,46 27.593,47 12.531,48 6,49 15.208,50 1.153,51 6.675,52 2.031,53 5.317,54 1.882,55 5.222,56 24.702,57 15.592,58 4.553,59 96.341,60 7.978,61 9.292,62 4.684,63 0.712,64 91,65 5.758,66 1.217,67 2,68 1.94,69 56.303,70 5.399,71 6.4}
{0 CHEMBL1970903,1 2,3 1,4 -0.113,6 2,7 102.537,8 1,10 4,11 4,12 15.287,14 0.912,15 4.258,16 1.918,17 13.486,18 6,19 5,20 1.905,21 1.941,22 4.104,23 10.311,24 14.291,25 2,26 23,27 10.661,28 4.14,29 1.907,30 5.951,31 3.482,32 0.739,33 0.593,34 4.019,35 0.469,36 1.893,37 4.026,38 1.669,39 5.012,40 1.72,41 3,42 3.478,43 1.525,44 0.684,45 1.573,46 13.071,47 8.005,48 6,49 9.644,50 1.071,51 0.366,52 2.027,53 4.746,54 1.743,55 3.06,56 11.183,57 9.897,58 4.084,59 59.438,60 0.283,61 0.217,62 4.209,63 1.564,64 57,65 5.142,66 0.948,67 1,68 1.816,69 29.978,70 4.818,71 8.1}
{0 CHEMBL1970913,7 48.901,10 1,11 1,12 7.773,14 0.772,15 3.769,16 1.632,17 9.313,18 2,19 9,20 1.856,21 1.687,22 3.81,23 8.256,24 7.315,26 18,27 7.969,28 3.851,29 1.856,30 4.673,31 3.377,32 3.545,33 4.689,34 3.667,35 5.898,36 1.865,37 3.686,38 1.514,39 4.782,40 3.306,41 1,42 3.371,43 1.57,44 0.353,45 1.338,46 7.693,47 6.248,48 4,49 7.456,50 1.026,51 7.14,52 1.903,53 4.515,54 1.555,55 2.852,56 9.327,57 7.657,58 3.812,59 46.318,60 8.399,61 9.669,62 3.936,63 -0.284,64 43,65 4.713,66 0.766,68 1.65,69 19.98,70 4.564,71 5}
{0 CHEMBL1971017,1 2,7 50.992,10 2,11 2,12 5.37,14 0.263,15 2.994,16 1.704,17 5.088,20 1.68,21 1.727,22 3.838,23 3.961,24 5.297,25 2,26 9,27 3.148,28 3.859,29 1.696,30 2.227,31 2.921,32 1.045,33 1.019,34 3.795,35 0.993,36 1.538,37 3.776,38 0.984,39 4.227,40 1.96,41 2,42 2.905,43 1.558,44 0.011,45 1.079,46 4.33,47 4.456,48 2,49 5.407,50 0.685,51 0.967,52 1.83,53 4.005,54 1.094,55 1.516,56 2.289,57 5.588,58 3.472,59 31.127,60 0.942,61 0.917,62 3.556,63 0.393,64 30,65 4.225,66 0.331,68 1.193,69 11.018,70 4.104,71 5.3}
{0 CHEMBL1971021,7 81.548,10 3,11 3,12 13.827,14 0.719,15 4,16 1.909,17 11.712,18 6,19 12,20 1.876,21 1.936,22 3.95,23 9.536,24 11.435,26 20,27 8.065,28 3.981,29 1.876,30 5.201,31 3.217,32 5.476,33 8.067,34 3.884,35 10.736,36 1.878,37 3.881,38 1.366,39 4.949,40 5.335,41 3,42 3.258,43 1.569,44 0.527,45 1.493,46 13.543,47 7.856,48 3,49 9.483,50 1.016,51 13.417,52 2.035,53 4.746,54 1.572,55 2.961,56 8.248,57 9.739,58 4.065,59 59.085,60 16.1,61 18.783,62 4.175,63 0.853,64 55,65 5.131,66 1.002,68 1.639,69 28.388,70 4.791,71 6.2}
{0 CHEMBL1971029,1 1,2 1,7 83.745,10 3,11 3,12 17.271,14 0.825,15 4.189,16 1.889,17 14.72,18 2,19 3,20 1.931,21 1.919,22 3.981,23 11.723,24 19.48,25 1,26 28,27 12.737,28 4.009,29 1.943,30 6.857,31 3.579,32 3.049,33 4.149,34 3.87,35 5.385,36 1.892,37 3.875,38 1.681,39 5.227,40 3.348,41 4,42 3.591,43 1.545,44 0.738,45 1.656,46 18.726,47 9.084,48 8,49 10.95,50 1.05,51 6.67,52 2.06,53 5.002,54 1.744,55 3.607,56 14.378,57 11.442,58 4.284,59 73.655,60 7.976,61 9.292,62 4.397,63 0.889,64 68,65 5.331,66 1.064,67 2,68 1.714,69 41.675,70 5.047,71 6}
{0 CHEMBL1971141,7 77.744,10 4,11 4,12 11.785,14 0.615,15 3.993,16 1.884,17 10.424,18 5,19 10,20 1.89,21 1.914,22 3.922,23 8.523,24 10.183,26 19,27 8.361,28 3.954,29 1.889,30 4.806,31 3.179,32 2.567,33 3.31,34 3.855,35 4.182,36 1.893,37 3.851,38 1.313,39 4.773,40 2.912,41 3,42 3.223,43 1.533,44 0.256,45 1.364,46 9.471,47 6.591,48 4,49 7.855,50 0.966,51 5.121,52 2.019,53 4.485,54 1.486,55 2.458,56 8.177,57 8.09,58 3.891,59 50.235,60 6.094,61 7.085,62 4.011,63 1.659,64 47,65 4.872,66 0.821,68 1.56,69 22.656,70 4.594,71 5}
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{0 CHEMBL1971186,1 1,2 1,3 1,4 0.354,7 49.016,8 1,10 2,11 2,12 11.039,13 1,14 0.825,15 3.886,16 1.779,17 11.635,18 4,19 2,20 1.901,21 1.836,22 3.876,23 8.407,24 9.601,25 1,26 19,27 8.466,28 3.943,29 1.915,30 4.737,31 3.545,32 0.097,33 0.016,34 3.752,35 0.003,36 1.845,37 3.763,38 1.47,39 5.007,40 0.8,41 4,42 3.567,43 1.515,44 0.557,45 1.373,46 9.167,47 7.43,48 4,49 9.039,50 0.91,52 1.998,53 4.702,54 1.558,55 2.894,56 10.032,57 9.133,58 3.996,59 53.445,62 4.117,63 0.282,64 51,65 4.972,66 0.973,67 1,68 1.598,69 24.766,70 4.774,71 5}
{0 CHEMBL1971245,1 1,7 81.917,10 3,11 3,12 16.011,14 0.849,15 4.251,16 1.867,17 13.329,18 2,19 1,20 1.935,21 1.907,22 3.967,23 9.922,24 15.215,25 1,26 24,27 11.039,28 4.016,29 1.946,30 5.871,31 3.55,32 1.339,33 1.199,34 3.859,35 1.111,36 1.915,37 3.864,38 1.695,39 5.119,40 1.96,41 4,42 3.555,43 1.522,44 0.641,45 1.533,46 12.9,47 8.359,48 5,49 10.104,50 1.051,51 1.046,52 2.049,53 4.861,54 1.658,55 3.237,56 11.2,57 10.318,58 4.147,59 63.517,60 0.994,61 0.952,62 4.283,63 0.884,64 60,65 5.213,66 0.962,67 3,68 1.822,69 31.338,70 4.905,71 5}
{0 CHEMBL1971289,6 3,7 63.1,10 3,11 3,12 5.578,14 0.216,15 3.093,16 1.467,17 5.726,18 4,20 1.604,21 1.497,22 3.712,23 4.997,24 6.185,26 12,27 5.233,28 3.735,29 1.646,30 2.913,31 2.946,32 5.786,33 8.315,34 3.614,35 10.859,36 1.508,37 3.585,38 1.279,39 4.282,40 7.112,41 2,42 2.951,43 1.643,44 0.112,45 1.015,46 5.593,47 4.267,48 3,49 5.14,50 0.62,51 13.406,52 1.739,53 4.082,54 1.132,55 1.724,56 3.253,57 5.335,58 3.522,59 33.621,60 15.955,61 18.507,62 3.611,63 1.251,64 31,65 4.182,66 0.225,68 1.325,69 10.903,70 4.137,71 5.4}
{0 CHEMBL1971430,1 2,2 1,3 1,4 -0.116,6 2,7 102.378,8 1,10 3,11 3,12 16.859,13 1,14 0.976,15 4.444,16 1.894,17 15.635,18 1,19 5,20 1.947,21 1.925,22 3.923,23 11.937,24 16.301,25 2,26 27,27 12.209,28 3.957,29 1.939,30 7.007,31 3.519,32 2.131,33 2.512,34 3.863,35 2.993,36 1.944,37 3.854,38 1.645,39 5.122,40 2.522,41 4,42 3.544,43 1.52,44 0.63,45 1.552,46 17.042,47 8.552,48 7,49 10.203,50 1.014,51 3.544,52 2.033,53 4.842,54 1.741,55 3.388,56 19.646,57 10.538,58 4.156,59 66.268,60 4.142,61 4.769,62 4.287,63 0.791,64 62,65 5.281,66 0.994,67 2,68 1.829,69 35.107,70 4.917,71 5}
{0 CHEMBL1971519,7 21.135,10 3,11 3,12 5.696,14 0.218,15 3.188,16 1.734,17 5.483,18 2,20 1.693,21 1.761,22 3.841,23 4.387,24 5.508,26 10,27 4.305,28 3.877,29 1.745,30 2.472,31 2.904,34 3.747,36 1.543,37 3.752,38 0.982,39 4.272,41 2,42 2.911,43 1.536,44 0.074,45 1.046,46 5.437,47 4.212,48 1,49 5.087,50 0.45,52 1.86,53 4.008,54 1.107,55 1.476,56 2.006,57 5.175,58 3.439,59 30.495,62 3.561,63 1.193,64 29,65 4.278,66 0.275,68 1.181,69 11.107,70 4.088,71 6.3}
{0 CHEMBL1971534,1 2,7 50.992,10 2,11 2,12 2.887,15 2.306,16 1.539,17 2.868,20 1.246,21 1.535,22 3.486,23 2.507,24 2.285,25 2,26 6,27 2.159,28 3.526,29 1.23,30 1.374,31 2.742,32 1.045,33 1.019,34 3.31,35 0.993,36 1.192,37 3.315,38 0.881,39 3.654,40 1.96,41 1,42 2.755,43 1.549,45 0.416,46 0.691,47 2.725,48 1,49 3.29,50 0.198,51 0.967,52 1.68,53 3.543,54 0.815,55 0.911,56 0.421,57 3.436,58 3.04,59 19.956,60 0.942,61 0.917,62 3.13,63 0.671,64 19,65 3.557,68 1.091,69 8.09,70 3.541,71 5.8}
{0 CHEMBL1971606,1 2,3 1,4 -0.171,6 5,7 60.883,8 1,10 1,11 1,12 13.056,14 0.855,15 4.159,16 1.891,17 12.986,18 3,19 9,20 1.854,21 1.915,22 3.929,23 10.163,24 13.495,25 2,26 23,27 10.017,28 3.955,29 1.859,30 6.127,31 3.426,32 1.594,33 1.614,34 3.858,35 1.674,36 1.895,37 3.857,38 1.598,39 4.97,40 2.162,41 3,42 3.412,43 1.508,44 0.462,45 1.342,46 13.2,47 7.497,48 7,49 8.951,50 1.123,51 1.758,52 2.019,53 4.679,54 1.672,55 3.225,56 11.273,57 9.209,58 4.005,59 57.322,60 1.859,61 1.973,62 4.118,63 -0.394,64 53,65 4.989,66 0.821,68 1.813,69 26.692,70 4.768,71 9.1}
{0 CHEMBL1971649,1 2,7 67.23,10 4,11 4,12 11.047,14 0.59,15 3.931,16 1.881,17 9.554,18 4,19 9,20 1.945,21 1.908,22 3.943,23 7.857,24 10.325,25 2,26 18,27 7.705,28 3.976,29 1.945,30 4.422,31 3.3,32 2.415,33 3.244,34 3.856,35 4.156,36 1.931,37 3.86,38 1.404,39 4.846,40 2.912,41 3,42 3.317,43 1.54,44 0.326,45 1.36,46 10.072,47 7.18,48 3,49 8.622,50 0.998,51 5.111,52 2.016,53 4.568,54 1.519,55 2.595,56 7.343,57 8.834,58 3.966,59 52.947,60 6.091,61 7.083,62 4.086,63 1.629,64 50,65 4.942,66 0.821,68 1.558,69 22.824,70 4.671,71 5.1}
{0 CHEMBL1971694,6 2,7 34.011,10 2,11 2,12 7.161,14 0.474,15 3.224,16 1.636,17 7.698,18 3,19 4,20 1.644,21 1.706,22 3.846,23 6.452,24 6.273,26 15,27 8.266,28 3.871,29 1.646,30 3.663,31 3.017,32 0.097,33 0.016,34 3.772,35 0.003,36 1.628,37 3.73,38 1.322,39 4.581,40 0.8,41 2,42 2.979,43 1.465,44 0.218,45 1.109,46 5.492,47 4.92,48 6,49 5.831,50 0.773,52 1.925,53 4.319,54 1.384,55 2.161,56 5.154,57 6.038,58 3.631,59 38.954,62 3.752,63 0.497,64 35,65 4.519,66 0.406,68 1.382,69 19.641,70 4.328,71 5}
{0 CHEMBL1971801,1 1,7 45.069,10 2,11 2,12 3.969,14 0.258,15 2.919,16 1.75,17 4.311,18 4,20 1.39,21 1.784,22 3.759,23 3.222,24 4.059,25 1,26 8,27 3.311,28 3.799,29 1.435,30 1.826,31 2.853,32 1.27,33 1.34,34 3.655,35 1.423,36 1.287,37 3.664,38 1.016,39 4.249,40 2.117,41 1,42 2.869,43 1.545,45 0.718,46 2.594,47 3.894,49 4.696,50 0.278,51 1.51,52 1.927,53 3.912,54 1.022,55 1.33,56 1.317,57 4.759,58 3.349,59 27.033,60 1.599,61 1.69,62 3.465,63 0.512,64 26,65 4.248,68 1.228,69 10.281,70 4.075,71 5}
{0 CHEMBL1971947,1 3,7 71.989,10 4,11 4,12 13.648,14 0.927,15 4.258,16 1.885,17 11.423,18 5,19 16,20 1.968,21 1.914,22 3.934,23 9.384,24 11.992,25 3,26 21,27 9.105,28 3.968,29 1.964,30 5.201,31 3.753,32 2.415,33 3.244,34 3.861,35 4.156,36 1.957,37 3.857,38 1.779,39 4.953,40 2.912,41 4,42 3.746,43 1.52,44 0.611,45 1.457,46 11.415,47 8.769,48 3,49 10.501,50 1.015,51 5.111,52 2.015,53 4.712,54 1.59,55 3.139,56 12.235,57 10.882,58 4.132,59 61.943,60 6.091,61 7.083,62 4.24,63 1.463,64 60,65 5.029,66 1.074,68 1.844,69 27.515,70 4.788,71 6.5}
{0 CHEMBL1972119,1 1,7 68.369,10 2,11 2,12 10.477,14 0.825,15 3.747,16 1.813,17 9.819,18 3,19 5,20 1.847,21 1.857,22 3.928,23 7.565,24 10.057,25 1,26 18,27 7.166,28 3.977,29 1.856,30 4.441,31 3.41,32 5.471,33 8.066,34 3.779,35 10.736,36 1.831,37 3.796,38 1.499,39 4.959,40 5.335,41 3,42 3.423,43 1.524,44 0.326,45 1.367,46 9.229,47 7.304,48 3,49 8.954,50 0.918,51 13.417,52 2.023,53 4.724,54 1.478,55 2.754,56 6.592,57 9.021,58 4.014,59 55.251,60 16.1,61 18.783,62 4.126,63 0.309,64 51,65 5.007,66 0.793,67 1,68 1.64,69 23.802,70 4.763,71 5}
{0 CHEMBL1972125,1 2,3 1,4 -0.176,6 2,7 74.904,8 1,10 5,11 5,12 17.322,14 1.054,15 4.477,16 1.918,17 15.946,18 6,19 9,20 1.977,21 1.942,22 4.03,23 11.615,24 16.252,25 2,26 26,27 11.734,28 4.052,29 1.971,30 6.728,31 3.635,32 0.739,33 0.593,34 3.968,35 0.469,36 1.99,37 3.971,38 1.724,39 5.151,40 1.72,41 4,42 3.644,43 1.536,44 0.687,45 1.574,46 15.604,47 9.222,48 8,49 11.111,50 1.074,51 0.366,52 2.028,53 4.833,54 1.812,55 3.446,56 15.173,57 11.36,58 4.207,59 67.979,60 0.283,61 0.217,62 4.324,63 2.19,64 65,65 5.26,66 0.992,67 1,68 1.888,69 34.034,70 4.966,71 5}
{0 CHEMBL1972142,1 1,7 47.665,10 2,11 2,12 9.998,14 0.683,15 3.964,16 1.878,17 10.49,18 4,19 11,20 1.876,21 1.908,22 3.934,23 7.498,24 9.721,25 1,26 17,27 7.474,28 3.968,29 1.885,30 4.417,31 3.285,32 1.343,33 1.438,34 3.856,35 1.555,36 1.854,37 3.853,38 1.464,39 4.737,40 2.162,41 3,42 3.301,43 1.527,44 0.348,45 1.22,46 8.426,47 6.581,48 4,49 7.91,50 0.952,51 1.679,52 2.012,53 4.456,54 1.581,55 2.415,56 8.297,57 8.084,58 3.842,59 46.611,60 1.807,61 1.939,62 3.955,63 0.194,64 45,65 4.776,66 0.821,67 1,68 1.639,69 20.432,70 4.546,71 6.1}
{0 CHEMBL1972152,7 10.192,10 1,11 1,12 3.8,14 0.589,15 2.9,16 1.567,17 3.804,18 1,19 1,20 1.581,21 1.591,22 3.847,23 4.277,24 3.655,26 9,27 3.501,28 3.856,29 1.586,30 2.193,31 2.859,32 5.731,33 8.244,34 3.728,35 10.761,36 1.544,37 3.728,38 1.293,39 4.231,40 7.04,41 2,42 2.846,43 1.69,44 0.063,45 1.081,46 3.805,47 4.368,48 1,49 5.356,50 0.793,51 13.277,52 1.707,53 4.096,54 1.321,55 1.514,56 2.219,57 5.554,58 3.498,59 30.079,60 15.794,61 18.311,62 3.575,63 -0.171,64 30,65 4.204,68 1.428,69 10.892,70 4.081,71 5}
{0 CHEMBL1972158,7 27.774,10 3,11 3,12 10.617,14 0.74,15 4.102,16 1.884,17 10.5,18 2,19 19,20 1.962,21 1.912,22 3.989,23 7.903,24 9.494,26 18,27 8.183,28 4.036,29 1.946,30 4.616,31 3.506,32 0.138,33 0.039,34 3.885,35 0.011,36 1.981,37 3.89,38 1.42,39 4.831,40 1.043,41 4,42 3.536,43 1.514,44 0.422,45 1.311,46 10.199,47 7.305,48 4,49 8.791,50 1.071,51 0.003,52 2.005,53 4.569,54 1.623,55 2.63,56 12.238,57 8.97,58 3.959,59 51.481,60 0.001,62 4.087,63 0.882,64 50,65 4.937,66 0.821,67 4,68 1.574,69 22.614,70 4.637,71 7.1}
{0 CHEMBL1972183,1 2,3 1,4 0.549,6 4,7 38.055,8 1,12 14.477,14 1.01,15 4.19,16 1.793,17 13.994,19 2,20 1.834,21 1.822,22 3.88,23 10.52,24 12.091,25 2,26 24,27 10.88,28 3.932,29 1.825,30 6.376,31 3.214,32 0.938,33 0.732,34 3.761,35 0.57,36 1.869,37 3.766,38 1.549,39 4.955,40 1.72,41 3,42 3.205,43 1.46,44 0.581,45 1.451,46 9.565,47 6.503,48 6,49 7.809,50 1.092,51 0.438,52 1.947,53 4.664,54 1.557,55 2.903,56 9.747,57 8.035,58 3.893,59 51.773,60 0.334,61 0.252,62 4.023,63 -0.851,64 48,65 5.029,66 0.801,68 1.811,69 26.409,70 4.717,71 5}
{0 CHEMBL1972220,1 2,4 -2.913,7 68.171,8 1,10 5,11 5,12 13.951,14 1.017,15 4.043,16 1.858,17 11.853,18 5,19 6,20 1.934,21 1.882,22 3.933,23 9.252,24 14.534,25 3,26 22,27 9.135,28 3.973,29 1.933,30 5.343,31 3.671,32 4.213,33 5.912,34 3.835,35 7.754,36 1.895,37 3.838,38 1.59,39 5.068,40 4.131,41 4,42 3.676,43 1.527,44 0.507,45 1.401,46 11.76,47 9.102,48 7,49 11.062,50 1.06,51 9.651,52 1.991,53 4.857,54 1.594,55 3.224,56 13.024,57 11.29,58 4.233,59 67.954,60 11.567,61 13.49,62 4.338,63 2.266,64 64,65 5.147,66 1.021,67 3,68 1.8,69 28.511,70 4.897,71 6.7}
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{0 CHEMBL1972250,1 1,7 64.818,10 1,11 1,12 6.975,14 0.58,15 3.659,16 1.84,17 6.232,18 2,19 3,20 1.642,21 1.868,22 3.874,23 5.025,24 8.091,25 1,26 12,27 4.848,28 3.903,29 1.654,30 2.976,31 3.136,32 3.606,33 4.969,34 3.79,35 6.379,36 1.643,37 3.798,38 1.331,39 4.468,40 4.069,41 2,42 3.143,43 1.63,44 0.267,45 1.288,46 7.055,47 5.864,48 2,49 7.067,50 0.847,51 7.797,52 1.96,53 4.314,54 1.482,55 2.065,56 5.702,57 7.269,58 3.72,59 39.863,60 9.217,61 10.638,62 3.815,63 -0.342,64 39,65 4.626,66 0.722,68 1.565,69 13.82,70 4.338,71 5}
{0 CHEMBL1972258,1 4,7 78.319,10 2,11 2,12 8.329,14 0.49,15 3.69,16 1.748,17 8.745,18 1,19 1,20 1.837,21 1.781,22 3.817,23 6.745,24 7.325,25 4,26 17,27 7.659,28 3.856,29 1.82,30 4.288,31 3.138,32 0.739,33 0.593,34 3.702,35 0.469,36 1.848,37 3.711,38 1.254,39 4.557,40 1.72,41 2,42 3.141,43 1.402,44 0.218,45 1.181,46 6.775,47 5.063,48 6,49 6.036,50 0.909,51 0.366,52 1.924,53 4.306,54 1.355,55 2.058,56 5.838,57 6.161,58 3.658,59 40.611,60 0.283,61 0.217,62 3.787,63 0.341,64 37,65 4.498,66 0.574,67 1,68 1.453,69 16.046,70 4.328,71 6.6}
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{0 CHEMBL1975900,1 2,2 1,7 38.211,10 2,11 2,12 6.87,13 1,14 0.589,15 3.259,16 1.838,17 6.499,18 3,19 4,20 1.847,21 1.86,22 3.892,23 4.197,24 5.968,25 2,26 11,27 2.863,28 3.915,29 1.866,30 2.516,31 3.097,32 0.354,33 0.157,34 3.81,35 0.069,36 1.783,37 3.82,38 1.196,39 4.472,40 1.315,41 3,42 3.089,43 1.612,44 0.163,45 1.085,46 4.419,47 5.375,48 5,49 6.532,50 0.855,51 0.03,52 1.966,53 4.212,54 1.107,55 1.871,56 4.433,57 6.72,58 3.659,59 37.878,60 0.013,61 0.006,62 3.748,63 0.364,64 36,65 4.482,66 0.541,67 1,68 1.406,69 16.993,70 4.321,71 7.1}
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{0 CHEMBL1976220,1 1,7 45.069,10 4,11 4,12 9.443,14 0.64,15 3.644,16 1.858,17 8.442,18 5,19 8,20 1.913,21 1.882,22 3.915,23 6.63,24 9.234,25 1,26 15,27 3.899,28 3.945,29 1.909,30 3.491,31 3.228,32 2.415,33 3.244,34 3.862,35 4.156,36 1.868,37 3.845,38 1.407,39 4.697,40 2.912,41 3,42 3.24,43 1.53,44 0.218,45 1.209,46 7.554,47 6.546,48 3,49 7.908,50 0.989,51 5.111,52 1.977,53 4.417,54 1.422,55 2.263,56 7.886,57 8.209,58 3.861,59 46.455,60 6.091,61 7.083,62 3.964,63 1.698,64 45,65 4.725,66 0.821,68 1.456,69 21.867,70 4.535,71 6.4}
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{0 CHEMBL1976420,1 2,6 6,7 67.75,10 2,11 2,12 12.055,14 0.771,15 3.874,16 1.766,17 10.403,18 5,19 2,20 1.824,21 1.809,22 3.891,23 8.543,24 12.161,25 2,26 19,27 8.697,28 3.922,29 1.812,30 4.971,31 3.295,32 0.521,33 0.336,34 3.801,35 0.21,36 1.813,37 3.807,38 1.469,39 4.725,40 1.529,41 2,42 3.282,43 1.523,44 0.469,45 1.389,46 10.593,47 5.698,48 3,49 6.79,50 0.894,51 0.128,52 1.959,53 4.474,54 1.429,55 2.513,56 6.519,57 7.088,58 3.776,59 45.026,60 0.077,61 0.046,62 3.902,63 0.284,64 42,65 4.854,66 0.804,68 1.743,69 22.684,70 4.534,71 5}
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{0 CHEMBL1976936,1 1,3 2,4 -0.037,6 4,7 37.686,8 2,9 1,10 3,11 3,12 11.386,14 0.776,15 3.718,16 1.813,17 11.659,18 7,19 5,20 1.876,21 1.86,22 3.9,23 8.343,24 9.405,25 1,26 18,27 7.815,28 3.955,29 1.898,30 4.515,31 3.239,32 0.05,33 0.008,34 3.764,35 0.001,36 1.782,37 3.763,38 1.421,39 4.947,40 0.8,41 3,42 3.24,43 1.502,44 0.578,45 1.437,46 8.746,47 6.484,48 3,49 7.892,50 0.859,52 1.991,53 4.575,54 1.427,55 2.62,56 7.854,57 8.035,58 3.866,59 47.551,62 3.988,63 1.039,64 45,65 4.933,66 0.552,67 1,68 1.57,69 27.007,70 4.714,71 7.1}
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{0 CHEMBL1977134,1 2,7 73.733,10 4,11 4,12 11.815,14 0.845,15 4.036,16 1.881,17 10.23,18 5,19 15,20 1.963,21 1.906,22 3.954,23 7.919,24 11.165,25 2,26 19,27 7.239,28 3.986,29 1.96,30 4.549,31 3.689,32 5.496,33 8.07,34 3.866,35 10.736,36 1.968,37 3.87,38 1.702,39 5.051,40 5.335,41 4,42 3.714,43 1.559,44 0.524,45 1.424,46 10.044,47 9.246,48 4,49 11.266,50 1.096,51 13.417,52 2.009,53 4.853,54 1.536,55 3.153,56 9.91,57 11.388,58 4.226,59 65.959,60 16.1,61 18.783,62 4.326,63 1.504,64 63,65 5.192,66 1.039,67 2,68 1.777,69 25.711,70 4.898,71 5.4}
{0 CHEMBL1977135,1 2,7 38.211,10 1,11 1,12 9.369,14 0.677,15 3.861,16 1.877,17 9.701,18 2,19 9,20 1.848,21 1.907,22 3.903,23 6.931,24 9.11,25 2,26 16,27 6.938,28 3.936,29 1.849,30 4.255,31 3.183,32 1.343,33 1.438,34 3.843,35 1.555,36 1.838,37 3.835,38 1.328,39 4.611,40 2.162,41 3,42 3.204,43 1.502,44 0.218,45 1.181,46 7.996,47 5.795,48 4,49 6.935,50 0.866,51 1.679,52 2.01,53 4.323,54 1.171,55 2.168,56 5.192,57 7.102,58 3.718,59 42.112,60 1.807,61 1.939,62 3.83,63 -0.399,64 40,65 4.642,66 0.821,68 1.552,69 18.097,70 4.416,71 6.8}
{0 CHEMBL1977138,1 2,3 1,4 -0.277,6 3,7 70.641,8 1,10 1,11 1,12 8.819,14 0.758,15 3.823,16 1.888,17 8.349,18 2,19 2,20 1.893,21 1.915,22 3.945,23 6.269,24 8.311,25 3,26 15,27 6.085,28 3.979,29 1.91,30 3.714,31 3.312,32 3.574,33 4.963,34 3.865,35 6.378,36 1.825,37 3.866,38 1.442,39 4.773,40 4.069,41 3,42 3.33,43 1.6,44 0.236,45 1.2,46 8.18,47 6.694,48 4,49 8.059,50 0.851,51 7.797,52 2.013,53 4.498,54 1.512,55 2.463,56 6.635,57 8.238,58 3.864,59 47.406,60 9.217,61 10.638,62 3.98,63 -0.309,64 45,65 4.835,66 0.735,68 1.697,69 19.435,70 4.577,71 6.1}
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{0 CHEMBL1978099,1 1,7 78.396,10 5,11 5,12 11.5,14 0.738,15 3.815,16 1.866,17 9.923,18 4,19 4,20 1.868,21 1.892,22 3.946,23 8.723,24 11.747,25 1,26 21,27 11.206,28 3.972,29 1.895,30 4.967,31 3.537,32 3.27,33 4.494,34 3.841,35 5.814,36 1.76,37 3.846,38 1.508,39 4.949,40 3.634,41 3,42 3.469,43 1.56,44 0.592,45 1.478,46 9.046,47 7.401,48 8,49 8.859,50 0.797,51 7.174,52 2.01,53 4.728,54 1.684,55 2.718,56 8.791,57 9.227,58 4.09,59 60.409,60 8.557,61 9.952,62 4.198,63 2.469,64 55,65 5.006,66 0.853,67 2,68 1.734,69 29.477,70 4.787,71 5}
{0 CHEMBL1978166,1 1,6 2,7 106.639,10 6,11 6,12 21.828,14 1.131,15 4.722,16 1.884,17 21.04,18 6,19 20,20 1.994,21 1.913,22 3.935,23 16.516,24 20.313,25 1,26 35,27 16.312,28 3.969,29 1.963,30 9.177,31 3.678,32 2.415,33 3.244,34 3.862,35 4.156,36 2.026,37 3.858,38 1.788,39 5.361,40 2.912,41 3,42 3.658,43 1.487,44 0.894,45 1.658,46 19.044,47 10.67,48 10,49 12.716,50 1.172,51 5.111,52 2.015,53 5.047,54 1.833,55 4.596,56 18.238,57 13.137,58 4.352,59 81.849,60 6.091,61 7.083,62 4.486,63 2.92,64 76,65 5.395,66 1.218,68 1.916,69 43.323,70 5.127,71 6.7}
{0 CHEMBL1978167,1 1,7 31.591,10 1,11 1,12 6.841,14 0.635,15 3.376,16 1.74,17 5.999,18 2,19 1,20 1.833,21 1.779,22 3.993,23 4.429,24 7.081,25 1,26 11,27 2.396,28 4.038,29 1.84,30 2.613,31 3.222,34 3.864,36 1.79,37 3.88,38 1.349,39 4.394,41 2,42 3.205,43 1.559,44 0.236,45 1.118,46 6.197,47 4.995,48 1,49 6.035,50 0.838,52 1.924,53 4.225,54 1.195,55 1.777,56 2.705,57 6.249,58 3.587,59 34.496,62 3.696,63 -0.271,64 34,65 4.43,66 0.582,68 1.573,69 9.929,70 4.226,71 5.5}
{0 CHEMBL1978195,1 2,7 50.992,10 2,11 2,12 5.581,14 0.246,15 2.994,16 1.71,17 5.454,19 1,20 1.68,21 1.73,22 3.831,23 3.808,24 5.541,25 2,26 9,27 0.467,28 3.847,29 1.695,30 2.068,31 2.974,32 1.045,33 1.019,34 3.828,35 0.993,36 1.537,37 3.79,38 0.982,39 4.195,40 1.96,41 2,42 2.934,43 1.563,45 1.064,46 4.579,47 4.455,48 2,49 5.408,50 0.685,51 0.967,52 1.819,53 3.987,54 1.107,55 1.516,56 2.69,57 5.662,58 3.463,59 30.628,60 0.942,61 0.917,62 3.542,63 0.393,64 30,65 4.201,66 0.335,68 1.189,69 16.53,70 4.086,71 5.5}
{0 CHEMBL1978200,1 2,6 6,7 62.382,10 2,11 2,12 13.668,14 0.842,15 4.033,16 1.824,17 11.195,18 4,19 3,20 1.958,21 1.864,22 3.865,23 9.523,24 11.934,25 2,26 22,27 9.554,28 3.895,29 1.957,30 5.531,31 3.566,32 0.05,33 0.008,34 3.762,35 0.001,36 1.945,37 3.775,38 1.69,39 5.053,40 0.8,41 3,42 3.571,43 1.539,44 0.591,45 1.538,46 12.251,47 7.766,48 6,49 9.347,50 1.026,52 1.983,53 4.783,54 1.58,55 3.096,56 12.98,57 9.644,58 4.086,59 60.615,62 4.208,63 0.257,64 56,65 5.192,66 0.804,68 1.813,69 32.35,70 4.86,71 5}
{0 CHEMBL1978267,1 1,7 67.164,10 2,11 2,12 20.395,14 1.024,15 4.662,16 1.886,17 18.018,18 4,19 7,20 1.983,21 1.92,22 3.963,23 13.583,24 21.252,25 1,26 32,27 14.559,28 4.003,29 1.981,30 8.172,31 3.793,32 1.718,33 1.642,34 3.872,35 1.626,36 1.995,37 3.868,38 1.777,39 5.38,40 2.117,41 6,42 3.783,43 1.532,44 0.825,45 1.717,46 22.653,47 11.697,48 8,49 14.127,50 1.07,51 1.645,52 2.044,53 5.15,54 1.837,55 4.468,56 19.766,57 14.557,58 4.461,59 86.308,60 1.689,61 1.749,62 4.578,63 0.115,64 83,65 5.477,66 1.313,67 2,68 1.875,69 40.278,70 5.189,71 5.4}
{0 CHEMBL1978371,4 -1.328,7 33.594,8 2,12 13.656,14 0.94,15 4.151,16 1.879,17 13.198,19 24,20 1.964,21 1.902,22 3.896,23 8.68,24 14.07,26 18,27 6.724,28 3.922,29 1.946,30 4.924,31 3.624,32 3.959,33 5.23,34 3.844,35 6.561,36 1.986,37 3.838,38 1.686,39 4.954,40 4.069,41 4,42 3.623,43 1.656,44 0.399,45 1.297,46 13.823,47 7.764,48 4,49 9.411,50 1.073,51 7.922,52 1.993,53 4.562,54 1.407,55 2.912,56 12.813,57 9.669,58 3.952,59 52.598,60 9.302,61 10.695,62 4.036,63 -0.858,64 51,65 5.033,66 0.821,68 1.802,69 26.212,70 4.795,71 5.8}
{0 CHEMBL1978448,3 1,4 0.128,6 4,7 28.603,8 1,10 1,11 1,12 10.816,14 0.774,15 3.575,16 1.768,17 9.541,18 1,20 1.668,21 1.739,22 4.02,23 7.916,24 12.341,26 17,27 9.976,28 4.031,29 1.665,30 4.489,31 3.643,32 1.356,33 1.379,34 3.932,35 1.439,36 1.661,37 3.871,38 1.431,39 4.779,40 2.117,41 2,42 3.573,43 1.642,44 0.666,45 1.437,46 10.372,47 5.942,48 4,49 7.235,50 0.825,51 1.516,52 1.94,53 4.528,54 1.429,55 2.339,56 6.193,57 7.576,58 3.824,59 44.95,60 1.602,61 1.691,62 3.921,63 -0.241,64 43,65 4.841,66 0.742,68 1.564,69 25.971,70 4.599,71 5.2}
{0 CHEMBL1978562,1 1,7 62.651,10 1,11 1,12 6.267,14 0.634,15 3.401,16 1.74,17 5.231,18 2,19 1,20 1.833,21 1.779,22 3.998,23 3.889,24 6.763,25 1,26 10,27 1.62,28 4.041,29 1.841,30 2.246,31 3.254,32 3.563,33 4.962,34 3.87,35 6.378,36 1.79,37 3.887,38 1.384,39 4.415,40 4.069,41 2,42 3.233,43 1.664,44 0.234,45 1.139,46 5.868,47 5.295,48 1,49 6.4,50 0.838,51 7.797,52 1.924,53 4.237,54 1.206,55 1.834,56 2.523,57 6.625,58 3.62,59 35.579,60 9.217,61 10.638,62 3.723,63 -0.265,64 35,65 4.488,66 0.583,67 1,68 1.573,69 8.418,70 4.262,71 5.4}
{0 CHEMBL1978567,1 2,3 1,4 -0.131,6 3,7 57.442,8 1,10 1,11 1,12 11.485,14 0.816,15 3.822,16 1.811,17 9.509,18 2,19 8,20 1.776,21 1.84,22 3.917,23 8.239,24 11.185,25 2,26 19,27 8.503,28 3.942,29 1.78,30 4.988,31 3.299,32 1.594,33 1.614,34 3.855,35 1.674,36 1.761,37 3.847,38 1.432,39 4.694,40 2.162,41 3,42 3.299,43 1.535,44 0.417,45 1.291,46 10.285,47 6.294,48 5,49 7.498,50 0.875,51 1.758,52 1.954,53 4.529,54 1.515,55 2.511,56 10.271,57 7.874,58 3.874,59 49.155,60 1.859,61 1.973,62 3.98,63 -0.317,64 46,65 4.791,66 0.821,68 1.706,69 27.305,70 4.522,71 7.5}
{0 CHEMBL1978656,1 2,7 47.81,10 2,11 2,12 8.708,14 0.619,15 3.82,16 1.884,17 8.446,18 5,19 4,20 1.863,21 1.907,22 3.928,23 6.79,24 9.9,25 2,26 16,27 6.97,28 3.954,29 1.867,30 4.013,31 3.303,32 1.255,33 1.338,34 3.85,35 1.422,36 1.821,37 3.852,38 1.479,39 4.707,40 2.117,41 3,42 3.313,43 1.556,44 0.218,45 1.198,46 7.974,47 6.525,48 3,49 7.838,50 0.883,51 1.51,52 2.013,53 4.457,54 1.469,55 2.38,56 5.637,57 8.032,58 3.864,59 46.903,60 1.599,61 1.69,62 3.971,63 0.251,64 45,65 4.806,66 0.821,68 1.574,69 19.861,70 4.541,71 5}
{0 CHEMBL1979057,7 58.956,10 3,11 3,12 9.722,14 0.715,15 3.91,16 1.881,17 9.69,18 5,19 6,20 1.877,21 1.91,22 4.036,23 7.294,24 9.646,26 16,27 7.081,28 4.062,29 1.876,30 4.009,31 3.231,32 1.356,33 1.44,34 3.95,35 1.555,36 1.883,37 3.96,38 1.393,39 4.78,40 2.162,41 3,42 3.253,43 1.554,44 0.283,45 1.2,46 9.443,47 6.824,48 3,49 8.265,50 0.997,51 1.679,52 2.01,53 4.499,54 1.607,55 2.461,56 5.987,57 8.419,58 3.874,59 46.694,60 1.807,61 1.939,62 3.987,63 0.898,64 46,65 4.779,66 0.86,68 1.575,69 18.972,70 4.592,71 6.7}
{0 CHEMBL1979093,7 44.847,10 4,11 4,12 11.162,14 0.615,15 3.91,16 1.879,17 9.435,18 5,19 8,20 1.882,21 1.906,22 3.944,23 8.31,24 10.952,26 19,27 8.236,28 3.975,29 1.89,30 4.689,31 3.179,32 2.508,33 3.275,34 3.857,35 4.165,36 1.868,37 3.861,38 1.324,39 4.837,40 2.912,41 3,42 3.225,43 1.553,44 0.342,45 1.408,46 10.403,47 7.275,48 4,49 8.726,50 0.976,51 5.114,52 2.011,53 4.623,54 1.553,55 2.647,56 9.252,57 8.961,58 4.021,59 55.283,60 6.092,61 7.084,62 4.128,63 1.631,64 52,65 4.98,66 0.902,68 1.576,69 24.282,70 4.687,71 6.5}
{0 CHEMBL1979176,1 2,7 64.02,10 2,11 2,12 6.964,14 0.548,15 3.394,16 1.81,17 5.897,18 3,19 5,20 1.681,21 1.843,22 3.913,23 5.217,24 7.083,25 2,26 13,27 4.617,28 3.951,29 1.705,30 3.12,31 3.116,32 5.469,33 8.066,34 3.784,35 10.736,36 1.655,37 3.8,38 1.249,39 4.599,40 5.335,41 2,42 3.175,43 1.518,44 0.222,45 1.169,46 5.706,47 5.871,48 3,49 7.11,50 0.677,51 13.417,52 1.975,53 4.45,54 1.444,55 2.028,56 5.323,57 7.209,58 3.81,59 44.922,60 16.1,61 18.783,62 3.912,63 0.365,64 41,65 4.71,66 0.724,68 1.521,69 16.005,70 4.445,71 5}
{0 CHEMBL1979252,1 2,2 1,7 45.971,10 2,11 2,12 7.347,13 1,14 0.632,15 3.352,16 1.845,17 7.008,18 3,19 4,20 1.856,21 1.869,22 3.912,23 4.808,24 6.222,25 2,26 12,27 4.093,28 3.939,29 1.878,30 2.997,31 3.131,32 5.422,33 8.058,34 3.809,35 10.734,36 1.794,37 3.823,38 1.25,39 4.569,40 5.335,41 3,42 3.162,43 1.565,44 0.218,45 1.181,46 4.959,47 5.777,48 5,49 7.037,50 0.863,51 13.416,52 1.988,53 4.371,54 1.295,55 2.018,56 4.652,57 7.106,58 3.751,59 42.424,60 16.1,61 18.783,62 3.85,63 0.352,64 39,65 4.687,66 0.567,67 1,68 1.462,69 17.954,70 4.402,71 7}
{0 CHEMBL1979318,4 -0.24,7 89.445,8 1,10 3,11 3,12 7.907,14 0.201,15 3.205,16 1.671,17 6.381,18 3,20 1.726,21 1.694,22 3.822,23 5.118,24 7.526,26 11,27 0.735,28 3.859,29 1.757,30 2.499,31 3.339,32 4.07,33 5.62,34 3.795,35 7.233,36 1.663,37 3.735,38 1.131,39 4.388,40 4.525,41 2,42 2.874,43 1.648,44 0.114,45 1.102,46 5.435,47 4.775,48 1,49 5.766,50 0.716,51 8.862,52 1.814,53 4.164,54 1.249,55 1.727,56 4.676,57 5.991,58 3.568,59 34.584,60 10.494,61 12.128,62 3.677,63 1.152,64 33,65 4.561,66 0.597,68 1.253,69 34.409,70 4.249,71 5}
{0 CHEMBL1979357,1 4,4 0.109,6 1,7 73.092,8 1,10 2,11 2,12 15.197,14 0.854,15 4.289,16 1.88,17 13.525,18 1,19 7,20 1.946,21 1.909,22 3.942,23 9.582,24 15.081,25 4,26 22,27 9.979,28 3.977,29 1.946,30 5.797,31 3.401,32 0.356,33 0.18,34 3.865,35 0.087,36 1.936,37 3.866,38 1.611,39 4.893,40 1.36,41 3,42 3.395,43 1.488,44 0.438,45 1.425,46 15.643,47 7.266,48 5,49 8.694,50 1.03,51 0.041,52 2.013,53 4.639,54 1.647,55 2.792,56 12.712,57 8.952,58 3.976,59 54.73,60 0.019,61 0.009,62 4.104,63 0.157,64 52,65 5.036,66 0.821,68 1.774,69 26.323,70 4.695,71 6.5}
{0 CHEMBL1979516,1 1,6 3,7 74.011,10 5,11 5,12 11.506,14 0.964,15 3.925,16 1.851,17 10.8,18 7,19 7,20 1.938,21 1.879,22 3.922,23 9.061,24 11.306,25 1,26 20,27 8.544,28 3.955,29 1.939,30 4.911,31 3.405,32 2.617,33 3.348,34 3.83,35 4.204,36 1.894,37 3.833,38 1.539,39 4.954,40 2.912,41 3,42 3.409,43 1.542,44 0.308,45 1.35,46 10.894,47 7.896,48 5,49 9.5,50 1.036,51 5.132,52 1.989,53 4.675,54 1.565,55 3.007,56 10.914,57 9.783,58 4.065,59 58.492,60 6.1,61 7.087,62 4.179,63 2.376,64 55,65 4.976,66 0.839,68 1.808,69 27.448,70 4.773,71 5.2}
{0 CHEMBL1979554,1 1,2 1,7 45.827,10 3,11 3,12 7.817,13 1,14 0.605,15 3.423,16 1.884,17 7.239,18 5,19 4,20 1.875,21 1.902,22 3.957,23 4.71,24 6.858,25 1,26 12,27 3.359,28 3.979,29 1.893,30 2.708,31 3.172,32 0.354,33 0.157,34 3.887,35 0.069,36 1.805,37 3.882,38 1.31,39 4.607,40 1.315,41 3,42 3.195,43 1.61,44 0.267,45 1.191,46 5.058,47 6.157,48 5,49 7.507,50 0.917,51 0.03,52 1.988,53 4.354,54 1.437,55 2.119,56 4.83,57 7.703,58 3.79,59 42.376,60 0.013,61 0.006,62 3.885,63 1.012,64 41,65 4.667,66 0.634,68 1.464,69 24.671,70 4.459,71 7.9}
{0 CHEMBL1979577,1 1,6 6,7 104.442,10 6,11 6,12 17.249,14 0.976,15 4.309,16 1.884,17 13.541,18 8,19 14,20 1.947,21 1.913,22 3.934,23 11.646,24 13.091,25 1,26 25,27 11.537,28 3.968,29 1.939,30 6.33,31 3.604,32 2.476,33 3.26,34 3.861,35 4.159,36 1.942,37 3.857,38 1.667,39 5.031,40 2.912,41 3,42 3.594,43 1.543,44 0.611,45 1.448,46 13.261,47 8.346,48 3,49 9.918,50 1.046,51 5.112,52 2.014,53 4.78,54 1.589,55 3.2,56 13.571,57 10.418,58 4.146,59 64.773,60 6.091,61 7.083,62 4.272,63 3.096,64 61,65 5.181,66 0.978,68 1.829,69 35.083,70 4.853,71 6.8}
{0 CHEMBL1979690,1 2,7 84.226,10 3,11 3,12 16.257,14 0.825,15 4.188,16 1.886,17 12.996,18 6,19 6,20 1.93,21 1.921,22 3.974,23 9.595,24 14.94,25 2,26 23,27 10.188,28 4.022,29 1.938,30 5.639,31 3.553,32 0.705,33 0.443,34 3.865,35 0.293,36 1.913,37 3.87,38 1.672,39 5.087,40 1.2,41 4,42 3.558,43 1.505,44 0.64,45 1.513,46 11.71,47 8.098,48 5,49 9.792,50 1.053,51 0.195,52 2.034,53 4.83,54 1.592,55 3.123,56 9.922,57 10.041,58 4.116,59 61.252,60 0.129,61 0.084,62 4.253,63 0.908,64 58,65 5.194,66 1.009,67 1,68 1.729,69 33.021,70 4.872,71 6.6}
{0 CHEMBL1979718,7 66.847,10 2,11 2,12 12.115,14 0.671,15 3.972,16 1.877,17 10.31,18 1,19 5,20 1.83,21 1.903,22 3.883,23 8.474,24 14.222,25 1,26 19,27 8.575,28 3.941,29 1.818,30 4.857,31 3.433,32 1.297,33 1.348,34 3.828,35 1.425,36 1.844,37 3.82,38 1.404,39 4.766,40 2.117,41 3,42 3.45,43 1.546,44 0.371,45 1.473,46 12.911,47 6.738,48 4,49 8.065,50 0.97,51 1.51,52 1.994,53 4.589,54 1.613,55 2.597,56 10.659,57 8.333,58 3.918,59 50.607,60 1.599,61 1.69,62 4.045,63 0.251,64 48,65 4.93,66 0.885,68 1.568,69 23.348,70 4.583,71 6.1}
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{0 CHEMBL1979883,1 1,7 59.124,10 4,11 4,12 17.249,14 0.948,15 4.309,16 1.884,17 13.308,18 5,19 12,20 1.935,21 1.913,22 3.934,23 11.081,24 13.13,25 1,26 25,27 11.463,28 3.968,29 1.932,30 6.358,31 3.506,32 2.573,33 3.315,34 3.861,35 4.186,36 1.903,37 3.857,38 1.596,39 4.968,40 2.912,41 3,42 3.502,43 1.537,44 0.611,45 1.499,46 12.529,47 8.364,48 4,49 9.924,50 1.022,51 5.124,52 2.014,53 4.802,54 1.592,55 3.179,56 14.363,57 10.412,58 4.147,59 64.773,60 6.096,61 7.085,62 4.27,63 1.513,64 61,65 5.181,66 1.074,68 1.815,69 35.083,70 4.8,71 6.7}
{0 CHEMBL1979933,7 48.438,10 3,11 3,12 6.027,14 0.264,15 3.351,16 1.851,17 5.806,18 5,19 4,20 1.812,21 1.879,22 3.901,23 4.729,24 4.489,25 1,26 12,27 4.744,28 3.93,29 1.848,30 2.673,31 3.024,32 2.264,33 2.923,34 3.819,35 3.619,36 1.675,37 3.822,38 1.124,39 4.543,40 2.873,41 3,42 3.066,43 1.496,44 0.182,45 1.158,46 4.667,47 5.577,48 5,49 6.711,50 0.539,51 4.33,52 1.986,53 4.281,54 1.275,55 1.891,56 4.349,57 6.791,58 3.729,59 40.911,60 5.047,61 5.769,62 3.836,63 1.08,64 38,65 4.556,66 0.587,68 1.257,69 14.289,70 4.363,71 7.3}
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{0 CHEMBL1980003,1 1,7 20.874,12 7.179,14 0.549,15 3.512,16 1.737,17 6.645,20 1.582,21 1.775,22 3.851,23 5.301,24 7.419,25 1,26 12,27 5.37,28 3.886,29 1.585,30 3.206,31 3.026,34 3.766,36 1.562,37 3.769,38 1.208,39 4.276,41 2,42 3.002,43 1.491,44 0.139,45 1.1,46 7.178,47 4.298,48 1,49 5.132,50 0.603,52 1.9,53 4.075,54 1.152,55 1.658,56 2.529,57 5.302,58 3.437,59 31.073,62 3.554,63 -0.856,64 30,65 4.308,66 0.241,68 1.552,69 12.273,70 4.081,71 4.2}
{0 CHEMBL1980142,1 1,7 65.489,10 2,11 2,12 5.7,14 0.334,15 3.321,16 1.802,17 5.395,18 3,19 5,20 1.672,21 1.838,22 3.909,23 4.31,24 4.997,25 1,26 10,27 2.325,28 3.95,29 1.707,30 2.474,31 3.128,32 6.134,33 8.755,34 3.773,35 11.428,36 1.641,37 3.79,38 1.25,39 4.642,40 5.335,41 2,42 3.182,43 1.507,44 0.131,45 1.141,46 4.879,47 6.027,48 2,49 7.397,50 0.688,51 14.11,52 1.973,53 4.468,54 1.349,55 2.007,56 3.662,57 7.397,58 3.808,59 44.732,60 16.793,61 19.476,62 3.904,63 0.388,64 40,65 4.735,66 0.61,68 1.376,69 12.648,70 4.483,71 5}
{0 CHEMBL1980144,7 71.793,10 5,11 5,12 10.222,14 0.619,15 3.85,16 1.865,17 8.946,18 8,19 8,20 1.928,21 1.893,22 3.949,23 7.885,24 10.877,25 1,26 18,27 7.777,28 3.983,29 1.948,30 4.243,31 3.216,32 2.617,33 3.348,34 3.87,35 4.204,36 1.839,37 3.867,38 1.471,39 4.818,40 2.912,41 3,42 3.261,43 1.552,44 0.355,45 1.382,46 7.05,47 7.254,48 4,49 8.698,50 0.949,51 5.132,52 1.999,53 4.582,54 1.51,55 2.574,56 8.163,57 8.995,58 3.994,59 53.82,60 6.1,61 7.087,62 4.11,63 2.452,64 51,65 4.932,66 0.821,67 2,68 1.553,69 25.509,70 4.652,71 5.3}
{0 CHEMBL1980163,7 33.366,10 1,11 1,12 9.652,14 0.609,15 3.964,16 1.888,17 9.562,18 3,19 4,20 1.948,21 1.914,22 3.929,23 7.178,24 9.317,25 1,26 17,27 7.496,28 3.955,29 1.937,30 4.425,31 3.238,32 1.517,33 1.732,34 3.857,35 1.968,36 1.962,37 3.854,38 1.355,39 4.715,40 2.302,41 3,42 3.256,43 1.474,44 0.244,45 1.217,46 8.419,47 6.556,48 5,49 7.867,50 1.044,51 2.214,52 2.019,53 4.448,54 1.427,55 2.4,56 8.474,57 8.037,58 3.845,59 46.611,60 2.468,61 2.727,62 3.952,63 -0.396,64 45,65 4.749,66 0.821,68 1.503,69 19.928,70 4.528,71 5}
{0 CHEMBL1980167,7 7.413,10 3,11 3,12 14.034,14 0.83,15 4.064,16 1.941,17 11.981,18 2,19 18,20 2.014,21 1.947,22 4.006,23 9.569,24 13.832,26 22,27 11.692,28 4.009,29 2.014,30 5.53,31 3.594,32 4.162,33 5.949,34 3.939,35 7.794,36 1.984,37 3.921,38 1.646,39 5.019,40 4.612,41 4,42 3.591,43 1.581,44 0.559,45 1.417,46 11.397,47 8.343,48 7,49 9.97,50 1.098,51 9.67,52 2.05,53 4.784,54 1.684,55 3.01,56 12.8,57 10.389,58 4.159,59 64.069,60 11.563,61 13.468,62 4.262,63 0.877,64 60,65 5.198,66 0.821,68 1.762,69 33.275,70 4.864,71 5.4}
{0 CHEMBL1980246,7 63.531,10 4,11 4,12 7.527,14 0.505,15 3.627,16 1.871,17 7.934,18 5,19 8,20 1.77,21 1.895,22 3.902,23 6.117,24 6.969,25 1,26 15,27 6.809,28 3.93,29 1.798,30 3.543,31 3.096,32 0.182,33 0.047,34 3.834,35 0.012,36 1.654,37 3.833,38 1.275,39 4.567,40 1.043,41 3,42 3.098,43 1.473,44 0.211,45 1.168,46 6.059,47 5.492,48 4,49 6.58,50 0.646,51 0.003,52 1.995,53 4.319,54 1.223,55 1.981,56 4.838,57 6.702,58 3.729,59 41.777,60 0.001,62 3.855,63 1.87,64 39,65 4.619,66 0.584,67 4,68 1.548,69 17.267,70 4.372,71 5.4}
{0 CHEMBL1980297,1 2,7 57.999,10 5,11 5,12 13.265,14 1.017,15 4.033,16 1.853,17 11.445,18 5,19 6,20 1.934,21 1.88,22 3.931,23 9.048,24 12.989,25 2,26 21,27 9.078,28 3.973,29 1.931,30 5.133,31 3.671,32 2.415,33 3.244,34 3.833,35 4.156,36 1.895,37 3.836,38 1.59,39 5.037,40 2.912,41 4,42 3.676,43 1.527,44 0.507,45 1.401,46 11.373,47 8.586,48 6,49 10.412,50 1.046,51 5.111,52 1.988,53 4.762,54 1.588,55 3.067,56 12.65,57 10.666,58 4.157,59 62.99,60 6.091,61 7.083,62 4.268,63 2.304,64 60,65 5.076,66 0.933,67 2,68 1.8,69 28.036,70 4.856,71 6.571}
{0 CHEMBL1980329,7 34.796,10 3,11 3,12 8.971,14 0.649,15 3.73,16 1.759,17 8.337,18 8,19 4,20 1.764,21 1.779,22 3.922,23 6.148,24 8.512,26 14,27 6.146,28 3.962,29 1.781,30 3.498,31 3.288,32 1.255,33 1.338,34 3.824,35 1.422,36 1.727,37 3.829,38 1.462,39 4.594,40 2.117,41 3,42 3.299,43 1.55,44 0.238,45 1.181,46 6.95,47 5.881,48 2,49 7.103,50 0.811,51 1.51,52 1.871,53 4.303,54 1.467,55 2.085,56 5.902,57 7.245,58 3.74,59 40.907,60 1.599,61 1.69,62 3.838,63 0.946,64 40,65 4.608,66 0.785,68 1.652,69 16.273,70 4.427,71 5.4}
{0 CHEMBL1980376,7 8.825,10 2,11 2,12 7.349,14 0.355,15 3.39,16 1.767,17 6.612,18 1,20 1.561,21 1.792,22 3.851,23 5.546,24 6.405,26 12,27 5.457,28 3.879,29 1.622,30 3.14,31 3.044,34 3.768,36 1.536,37 3.77,38 1.196,39 4.279,41 2,42 3.025,43 1.511,44 0.055,45 1.044,46 6.245,47 4.393,48 1,49 5.244,50 0.599,52 1.894,53 4.077,54 1.174,55 1.653,56 2.857,57 5.415,58 3.49,59 32.282,62 3.599,63 0.353,64 31,65 4.388,66 0.357,68 1.432,69 13.672,70 4.115,71 5}
{0 CHEMBL1980391,7 65.369,10 2,11 2,12 7.774,14 0.579,15 3.496,16 1.801,17 7.036,18 2,19 1,20 1.735,21 1.821,22 3.857,23 6.073,24 8.694,26 14,27 5.182,28 3.894,29 1.73,30 3.455,31 3.099,32 0.877,33 0.647,34 3.78,35 0.491,36 1.748,37 3.779,38 1.363,39 4.657,40 1.72,41 2,42 3.117,43 1.564,44 0.313,45 1.228,46 9.155,47 6.03,48 2,49 7.276,50 0.858,51 0.375,52 1.922,53 4.436,54 1.534,55 2.188,56 8.511,57 7.517,58 3.81,59 43.978,60 0.286,61 0.218,62 3.915,63 0.312,64 42,65 4.746,66 0.778,68 1.572,69 18.904,70 4.511,71 5.6}
{0 CHEMBL1980407,1 2,3 1,4 -0.117,6 2,7 92.915,8 1,10 4,11 4,12 16.172,14 0.902,15 4.358,16 1.894,17 14.619,18 7,19 10,20 1.859,21 1.924,22 3.931,23 10.681,24 14.366,25 2,26 24,27 10.822,28 3.968,29 1.865,30 6.191,31 3.667,32 1.527,33 1.53,34 3.864,35 1.557,36 1.839,37 3.856,38 1.622,39 5.087,40 2.117,41 4,42 3.681,43 1.529,44 0.649,45 1.652,46 13.681,47 8.718,48 7,49 10.511,50 0.965,51 1.603,52 2.025,53 4.782,54 1.737,55 3.251,56 12.513,57 10.731,58 4.148,59 63.564,60 1.663,61 1.734,62 4.263,63 1.483,64 61,65 5.158,66 0.986,67 1,68 1.768,69 30.551,70 4.895,71 8.4}
{0 CHEMBL1980489,1 2,2 1,7 38.211,10 2,11 2,12 7.148,13 1,14 0.599,15 3.346,16 1.838,17 6.953,18 3,19 4,20 1.85,21 1.862,22 3.887,23 4.675,24 6.182,25 2,26 12,27 4.255,28 3.915,29 1.87,30 2.875,31 3.085,32 0.354,33 0.157,34 3.804,35 0.069,36 1.789,37 3.812,38 1.2,39 4.475,40 1.315,41 3,42 3.077,43 1.586,44 0.218,45 1.181,46 4.715,47 5.314,48 5,49 6.431,50 0.856,51 0.03,52 1.975,53 4.214,54 1.107,55 1.884,56 4.535,57 6.584,58 3.65,59 37.934,60 0.013,61 0.006,62 3.75,63 0.348,64 36,65 4.484,66 0.541,67 1,68 1.425,69 16.638,70 4.302,71 7}
{0 CHEMBL1980540,1 1,7 57.729,10 2,11 2,12 5.512,14 0.328,15 3.142,16 1.802,17 5.245,18 3,19 4,20 1.646,21 1.838,22 3.909,23 4.139,24 4.771,25 1,26 10,27 2.391,28 3.949,29 1.67,30 2.332,31 3.127,32 5.464,33 8.065,34 3.773,35 10.736,36 1.625,37 3.79,38 1.25,39 4.555,40 5.335,41 2,42 3.181,43 1.53,44 0.102,45 1.069,46 4.737,47 5.567,48 2,49 6.79,50 0.662,51 13.417,52 1.973,53 4.327,54 1.316,55 1.873,56 3.66,57 6.875,58 3.712,59 40.242,60 16.1,61 18.783,62 3.809,63 0.391,64 37,65 4.539,66 0.607,68 1.374,69 12.244,70 4.392,71 5}
{0 CHEMBL1980562,1 1,2 1,3 2,4 0.163,6 8,7 58.747,8 2,9 1,10 3,11 3,12 13.925,14 0.825,15 3.772,16 1.857,17 13.083,18 6,19 4,20 1.914,21 1.885,22 4.003,23 10.062,24 12.949,25 1,26 21,27 11.204,28 4.012,29 1.917,30 5.311,31 3.598,32 0.05,33 0.008,34 3.945,35 0.001,36 1.79,37 3.839,38 1.656,39 5.106,40 0.8,41 3,42 3.592,43 1.559,44 0.746,45 1.513,46 11.417,47 7.228,48 5,49 8.765,50 0.988,52 1.999,53 4.749,54 1.602,55 2.901,56 9.2,57 9.151,58 4.015,59 55.594,62 4.129,63 1.023,64 52,65 5.099,66 0.951,67 5,68 1.621,69 35.56,70 4.878,71 7.3}
{0 CHEMBL1980671,7 44.64,10 4,11 4,12 4.993,14 0.218,15 3.007,16 1.738,17 4.468,18 5,20 1.401,21 1.775,22 3.77,23 3.588,24 4.37,25 1,26 9,27 3.912,28 3.813,29 1.445,30 1.868,31 2.843,32 1.27,33 1.34,34 3.645,35 1.423,36 1.298,37 3.664,38 0.999,39 4.299,40 2.117,41 1,42 2.865,43 1.545,45 1.052,46 3.568,47 4.045,49 4.88,50 0.282,51 1.51,52 1.932,53 4.005,54 1.162,55 1.358,56 1.994,57 4.945,58 3.429,59 29.531,60 1.599,61 1.69,62 3.558,63 2.178,64 28,65 4.378,68 1.233,69 11.535,70 4.133,71 5.1}
{0 CHEMBL1980704,7 19.178,12 9.239,14 0.78,15 3.773,16 1.848,17 8.267,20 1.708,21 1.892,22 4.097,23 6.871,24 8.54,26 15,27 6.491,28 4.148,29 1.689,30 3.905,31 3.397,32 5.44,33 7.807,34 3.946,35 10.177,36 1.716,37 3.967,38 1.524,39 4.665,40 6.545,41 2,42 3.364,43 1.635,44 0.34,45 1.222,46 8.461,47 6.447,48 3,49 7.776,50 0.927,51 12.548,52 2.037,53 4.474,54 1.495,55 2.365,56 4.453,57 8.08,58 3.834,59 44.488,60 14.919,61 17.29,62 3.942,63 -0.751,64 44,65 4.744,66 0.809,68 1.659,69 20.686,70 4.49,71 5}
{0 CHEMBL1980715,6 2,7 185.912,10 8,11 8,12 17.114,14 1.066,15 4.572,16 1.762,17 16.579,18 2,19 6,20 1.918,21 1.823,22 3.813,23 13.926,24 16.727,26 36,27 15.844,28 3.876,29 1.883,30 8.401,31 3.372,32 1.927,33 2.026,34 3.699,35 2.197,36 1.962,37 3.678,38 1.545,39 5.297,40 2.129,41 1,42 3.352,43 1.365,44 0.699,45 1.546,46 16.722,47 8.226,48 15,49 9.676,50 1.15,51 2.419,52 2,53 4.934,54 1.686,55 4.169,56 14.794,57 9.899,58 4.175,59 72.427,60 2.676,61 2.958,62 4.344,63 5.224,64 63,65 5.28,66 0.984,67 2,68 1.839,69 33.119,70 5.004,71 5.6}
{0 CHEMBL1980763,4 0.521,7 74.749,8 1,10 2,11 2,12 15.443,14 0.912,15 4.08,16 1.825,17 13.671,18 4,19 8,20 1.861,21 1.86,22 3.944,23 10.673,24 13.667,26 24,27 10.779,28 3.979,29 1.851,30 6.104,31 3.483,32 0.958,33 0.736,34 3.856,35 0.57,36 1.848,37 3.858,38 1.599,39 5.06,40 1.72,41 3,42 3.495,43 1.52,44 0.603,45 1.513,46 13.336,47 7.417,48 5,49 8.94,50 1.021,51 0.439,52 2,53 4.79,54 1.677,55 3.208,56 10.984,57 9.229,58 4.036,59 57.797,60 0.334,61 0.252,62 4.166,63 0.267,64 54,65 5.11,66 0.824,68 1.772,69 32.823,70 4.834,71 5.9}
{0 CHEMBL1980802,1 1,3 2,4 -2.616,7 88.07,8 2,10 4,11 4,12 8.399,14 0.655,15 3.427,16 1.726,17 7.313,18 1,20 1.831,21 1.762,22 3.86,23 5.273,24 8.387,25 1,26 14,27 5.136,28 3.892,29 1.846,30 2.983,31 3.18,32 3.864,33 5.131,34 3.691,35 6.481,36 1.776,37 3.727,38 1.293,39 4.815,40 4.069,41 1,42 3.23,43 1.616,44 0.147,45 1.154,46 8.987,47 6.104,49 7.468,50 0.757,51 7.863,52 1.917,53 4.471,54 1.436,55 2.137,56 8.433,57 7.566,58 3.873,59 46.559,60 9.26,61 10.666,62 3.958,63 1.844,64 43,65 4.892,66 0.701,67 2,68 1.452,69 23.693,70 4.673,71 5}
{0 CHEMBL1980896,7 30.709,10 3,11 3,12 9.941,14 0.7,15 3.518,16 1.883,17 7.797,18 4,19 10,20 1.884,21 1.904,22 3.931,23 6.164,24 9.475,25 1,26 14,27 2.024,28 3.956,29 1.899,30 3.213,31 3.281,32 3.1,33 4.312,34 3.877,35 5.601,36 1.787,37 3.867,38 1.418,39 4.688,40 3.497,41 3,42 3.3,43 1.546,44 0.218,45 1.181,46 7.791,47 6.659,48 4,49 8.079,50 0.873,51 6.927,52 1.99,53 4.433,54 1.367,55 2.312,56 7.481,57 8.42,58 3.864,59 46.399,60 8.273,61 9.631,62 3.956,63 0.953,64 45,65 4.756,66 0.821,68 1.561,69 19.016,70 4.545,71 5}
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{0 CHEMBL1981045,3 1,4 -0.979,6 2,7 61.137,8 1,10 4,11 4,12 24.345,14 1.074,15 4.838,16 1.903,17 21.432,18 5,19 10,20 2.012,21 1.928,22 3.949,23 15.833,24 26.412,26 37,27 17.065,28 3.98,29 2.01,30 9.543,31 3.693,32 2.128,33 1.991,34 3.865,35 1.904,36 2.009,37 3.866,38 1.769,39 5.51,40 2.117,41 4,42 3.698,43 1.53,44 0.956,45 1.78,46 23.922,47 11.877,48 11,49 14.475,50 1.203,51 1.857,52 2.046,53 5.205,54 1.844,55 4.743,56 19.483,57 14.752,58 4.516,59 92.019,60 1.845,61 1.862,62 4.617,63 1.337,64 87,65 5.58,66 1.18,67 3,68 1.869,69 47.865,70 5.333,71 5}
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{0 CHEMBL1982700,3 1,4 0.039,6 6,7 59.855,8 1,10 1,11 1,12 16.578,14 0.869,15 4.376,16 1.672,17 15.354,18 2,19 5,20 1.91,21 1.728,22 3.738,23 12.294,24 18.092,26 30,27 13.391,28 3.788,29 1.891,30 7.557,31 3.362,32 2.222,33 2.315,34 3.601,35 2.458,36 1.945,37 3.597,38 1.464,39 5.108,40 2.293,41 1,42 3.373,43 1.539,44 0.652,45 1.579,46 17.672,47 7.721,48 9,49 9.084,50 1.15,51 2.641,52 1.926,53 4.873,54 1.638,55 3.933,56 16.332,57 9.452,58 4.097,59 64.647,60 2.858,61 3.101,62 4.224,63 -0.346,64 58,65 5.21,66 1.03,67 1,68 1.725,69 35.238,70 4.889,71 5.4}
{0 CHEMBL1982711,1 1,7 60.445,10 3,11 3,12 5.343,14 0.315,15 3.147,16 1.785,17 5.668,18 3,20 1.647,21 1.813,22 3.864,23 4.217,24 6.326,25 1,26 10,27 3.578,28 3.892,29 1.668,30 2.274,31 3.023,32 1.045,33 1.019,34 3.783,35 0.993,36 1.582,37 3.786,38 1.162,39 4.304,40 1.96,41 2,42 3.06,43 1.567,44 0.09,45 1.17,46 5.377,47 4.553,48 2,49 5.514,50 0.61,51 0.967,52 1.936,53 4.062,54 1.157,55 1.569,56 2.432,57 5.657,58 3.504,59 32.309,60 0.942,61 0.917,62 3.609,63 1.148,64 31,65 4.305,66 0.397,68 1.361,69 12.212,70 4.157,71 6.4}
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{0 CHEMBL1982866,1 1,7 31.654,12 8.31,14 0.574,15 3.53,16 1.729,17 7.674,19 1,20 1.842,21 1.77,22 3.819,23 5.831,24 7.59,25 2,26 15,27 5.999,28 3.853,29 1.854,30 3.808,31 3.212,32 0.739,33 0.593,34 3.723,35 0.469,36 1.805,37 3.728,38 1.285,39 4.53,40 1.72,41 3,42 3.221,43 1.495,44 0.261,45 1.181,46 7.272,47 5.457,48 5,49 6.571,50 0.871,51 0.366,52 1.92,53 4.386,54 1.384,55 2.063,56 8.71,57 6.773,58 3.726,59 41.638,60 0.283,61 0.217,62 3.837,63 -0.717,64 39,65 4.584,66 0.684,68 1.554,69 18.005,70 4.343,71 5}
{0 CHEMBL1982874,4 0.701,6 1,7 17.16,8 1,10 2,11 2,12 10.222,14 0.825,15 3.931,16 1.849,17 10.631,19 1,20 1.799,21 1.873,22 4.053,23 8.426,24 11.26,26 18,27 7.852,28 4.097,29 1.822,30 4.678,31 3.76,34 3.938,36 1.752,37 3.937,38 1.507,39 4.888,41 4,42 3.739,43 1.557,44 0.543,45 1.403,46 13.535,47 7.681,48 4,49 9.374,50 1.023,52 1.967,53 4.654,54 1.466,55 2.894,56 10.256,57 9.611,58 4,59 52.658,62 4.111,63 0.228,64 52,65 4.925,66 1.064,67 1,68 1.612,69 21.72,70 4.691,71 5}
{0 CHEMBL1982880,7 23.218,10 1,11 1,12 8.041,14 0.586,15 3.809,16 1.859,17 7.769,18 2,19 4,20 1.905,21 1.88,22 3.913,23 6.743,24 9.01,26 17,27 7.569,28 3.934,29 1.914,30 4.247,31 3.145,32 1.175,33 0.966,34 3.821,35 0.788,36 1.858,37 3.828,38 1.24,39 4.673,40 1.72,41 3,42 3.172,43 1.506,44 0.375,45 1.288,46 8.662,47 6.433,48 5,49 7.682,50 0.916,51 0.634,52 1.986,53 4.518,54 1.481,55 2.33,56 8.034,57 7.888,58 3.898,59 48.402,60 0.504,61 0.395,62 4.009,63 -0.294,64 46,65 4.745,66 0.821,68 1.592,69 18.636,70 4.501,71 5}
{0 CHEMBL1982924,1 1,7 45.559,10 2,11 2,12 9.539,14 0.601,15 3.918,16 1.877,17 9.297,18 4,19 6,20 1.932,21 1.897,22 3.924,23 7.212,24 10.028,25 1,26 17,27 7.426,28 3.943,29 1.94,30 4.321,31 3.3,32 1.527,33 1.53,34 3.846,35 1.557,36 1.896,37 3.849,38 1.421,39 4.705,40 2.117,41 3,42 3.322,43 1.542,44 0.374,45 1.333,46 8.626,47 6.604,48 4,49 7.918,50 0.971,51 1.603,52 1.995,53 4.479,54 1.543,55 2.388,56 6.95,57 8.117,58 3.876,59 47.82,60 1.663,61 1.734,62 3.982,63 0.213,64 46,65 4.759,66 0.821,67 1,68 1.578,69 19.182,70 4.537,71 5.1}
{0 CHEMBL1982957,1 1,7 60.445,10 3,11 3,12 9.152,14 0.599,15 3.841,16 1.883,17 9.134,18 3,19 10,20 1.869,21 1.907,22 3.918,23 6.663,24 9.78,25 1,26 15,27 6.539,28 3.941,29 1.885,30 3.792,31 3.261,32 1.045,33 1.019,34 3.862,35 0.993,36 1.83,37 3.859,38 1.421,39 4.631,40 1.96,41 3,42 3.273,43 1.545,44 0.247,45 1.213,46 8.212,47 6.17,48 3,49 7.427,50 0.912,51 0.967,52 1.995,53 4.355,54 1.487,55 2.2,56 7.047,57 7.592,58 3.777,59 43.196,60 0.942,61 0.917,62 3.888,63 0.915,64 42,65 4.678,66 0.683,67 1,68 1.576,69 17,70 4.462,71 6.9}
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{0 CHEMBL1982992,7 26.946,10 2,11 2,12 4.346,14 0.228,15 2.761,16 1.733,17 3.891,18 5,19 2,20 1.456,21 1.756,22 3.871,23 3.047,24 3.564,25 1,26 8,27 2.09,28 3.892,29 1.396,30 1.748,31 2.857,32 0.05,33 0.008,34 3.807,35 0.001,36 1.308,37 3.801,38 0.969,39 4.147,40 0.8,41 2,42 2.87,43 1.511,44 0.016,45 0.89,46 3.81,47 4.137,48 2,49 5.011,50 0.559,52 1.866,53 3.937,54 1.129,55 1.368,56 2.625,57 5.219,58 3.424,59 28.814,62 3.503,63 0.483,64 28,65 4.148,68 1.179,69 11.548,70 4.011,71 5}
{0 CHEMBL1983006,1 2,7 87.932,10 3,11 3,12 4.556,14 0.329,15 3.122,16 1.715,17 3.692,18 2,20 1.554,21 1.762,22 3.853,23 3.514,24 5.136,25 2,26 10,27 2.959,28 3.898,29 1.617,30 1.952,31 3.048,32 4.009,33 5.225,34 3.681,35 6.534,36 1.566,37 3.713,38 1.208,39 4.385,40 4.069,41 2,42 3.088,43 1.628,44 0.069,45 1.046,46 4.852,47 5.054,48 4,49 6.072,50 0.573,51 7.891,52 1.921,53 4.202,54 1.308,55 1.661,56 4.036,57 6.225,58 3.673,59 38.519,60 9.275,61 10.674,62 3.758,63 1.162,64 35,65 4.456,66 0.561,68 1.404,69 12.932,70 4.266,71 5}
{0 CHEMBL1983025,1 1,6 4,7 109.511,10 6,11 6,12 19.065,14 1.001,15 4.486,16 1.885,17 16.566,18 8,19 16,20 1.974,21 1.914,22 3.934,23 13.631,24 18.529,25 1,26 29,27 13.484,28 3.968,29 1.958,30 7.486,31 3.676,32 2.476,33 3.26,34 3.861,35 4.159,36 1.997,37 3.857,38 1.738,39 5.173,40 2.912,41 3,42 3.664,43 1.514,44 0.647,45 1.561,46 15.62,47 9.288,48 5,49 11.051,50 1.131,51 5.112,52 2.016,53 4.895,54 1.638,55 3.95,56 16.851,57 11.539,58 4.234,59 71.603,60 6.091,61 7.083,62 4.363,63 3.021,64 67,65 5.293,66 1.087,68 1.851,69 38.588,70 4.975,71 6.3}
{0 CHEMBL1983111,1 1,3 3,4 -0.135,6 8,7 81.455,8 3,10 3,11 3,12 14.609,14 0.957,15 4.109,16 1.839,17 14.773,18 6,19 7,20 1.887,21 1.891,22 3.946,23 11.846,24 14.286,25 1,26 25,27 10.785,28 4,29 1.907,30 6.425,31 3.508,32 5.58,33 8.098,34 3.794,35 10.744,36 1.807,37 3.805,38 1.614,39 5.255,40 5.335,41 3,42 3.522,43 1.552,44 0.794,45 1.63,46 13.544,47 8.984,48 6,49 11.019,50 0.985,51 13.419,52 2.034,53 4.982,54 1.679,55 3.722,56 12.418,57 11.163,58 4.206,59 67.995,60 16.1,61 18.783,62 4.332,63 0.899,64 63,65 5.268,66 0.989,67 1,68 1.797,69 34.812,70 5.031,71 6.6}
{0 CHEMBL1983195,6 6,7 52.799,10 1,11 1,12 9.483,14 0.826,15 3.988,16 1.62,17 9.885,18 2,19 1,20 1.717,21 1.674,22 3.86,23 8.408,24 10.797,26 20,27 8.872,28 3.879,29 1.727,30 5.052,31 3.502,32 2.511,33 3.388,34 3.735,35 4.358,36 1.725,37 3.75,38 1.464,39 4.877,40 2.972,41 3,42 3.518,43 1.509,44 0.537,45 1.545,46 11.485,47 7.32,48 5,49 8.794,50 0.869,51 5.372,52 1.913,53 4.656,54 1.604,55 3.117,56 12.047,57 8.998,58 3.99,59 53.943,60 6.409,61 7.458,62 4.097,63 -0.323,64 51,65 4.849,66 1.09,67 1,68 1.712,69 21.585,70 4.673,71 5}
{0 CHEMBL1983268,3 1,4 0.223,7 67.481,8 1,10 3,11 3,12 24.784,14 1.073,15 4.614,16 1.914,17 20.85,18 7,19 9,20 1.989,21 1.945,22 3.987,23 15.295,24 22.522,26 34,27 15.458,28 4.029,29 1.984,30 8.879,31 3.628,32 1.792,33 1.68,34 3.89,35 1.644,36 1.988,37 3.896,38 1.771,39 5.499,40 2.117,41 5,42 3.63,43 1.53,44 0.825,45 1.557,46 20.294,47 11.131,48 7,49 13.57,50 1.264,51 1.653,52 2.059,53 5.18,54 1.885,55 4.585,56 21.014,57 13.829,58 4.426,59 85.316,60 1.692,61 1.751,62 4.554,63 0.74,64 80,65 5.615,66 1.103,67 2,68 1.916,69 49.415,70 5.282,71 5.9}
{0 CHEMBL1983309,7 20.656,10 1,11 1,12 6.384,14 0.566,15 3.302,16 1.878,17 5.929,18 2,19 6,20 1.607,21 1.891,22 3.927,23 5.31,24 6.896,26 13,27 4.341,28 3.937,29 1.631,30 3.201,31 3.081,32 1.74,33 1.692,34 3.845,35 1.676,36 1.591,37 3.852,38 1.223,39 4.392,40 2.117,41 2,42 3.094,43 1.554,44 0.213,45 1.128,46 5.67,47 5.292,48 4,49 6.361,50 0.587,51 1.688,52 1.96,53 4.305,54 1.468,55 1.879,56 5.378,57 6.672,58 3.716,59 39.98,60 1.723,61 1.776,62 3.79,63 -0.241,64 38,65 4.458,66 0.736,68 1.554,69 18.221,70 4.286,71 5}
{0 CHEMBL1983348,6 2,7 94.889,10 2,11 2,12 12.083,14 1.041,15 4.151,16 1.903,17 12.948,18 2,19 7,20 1.929,21 1.925,22 4.003,23 10.024,24 12.776,26 22,27 9.866,28 4.038,29 1.911,30 5.689,31 3.417,32 4.116,33 5.731,34 3.911,35 7.39,36 1.964,37 3.919,38 1.566,39 5.019,40 4.616,41 2,42 3.408,43 1.606,44 0.642,45 1.542,46 13.305,47 7.899,48 7,49 9.484,50 1.126,51 9.059,52 2.003,53 4.736,54 1.743,55 3.361,56 11.271,57 9.692,58 4.031,59 57.521,60 10.731,61 12.404,62 4.16,63 0.228,64 54,65 5.064,66 0.959,68 1.808,69 27.959,70 4.792,71 6}
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{0 CHEMBL1983449,1 2,7 71.422,10 2,11 2,12 9.936,14 0.735,15 3.783,16 1.844,17 8.342,19 4,20 1.838,21 1.872,22 3.91,23 6.997,24 9.543,25 2,26 17,27 7.614,28 3.94,29 1.855,30 4.359,31 3.187,32 0.722,33 0.469,34 3.814,35 0.302,36 1.785,37 3.828,38 1.328,39 4.545,40 1.59,41 3,42 3.177,43 1.523,44 0.373,45 1.271,46 7.035,47 5.813,48 3,49 6.939,50 0.871,51 0.194,52 1.989,53 4.388,54 1.476,55 2.254,56 6.871,57 7.206,58 3.79,59 44.82,60 0.124,61 0.079,62 3.896,63 0.278,64 42,65 4.701,66 0.666,67 1,68 1.585,69 19.087,70 4.379,71 6.3}
{0 CHEMBL1983534,1 2,7 22.845,10 1,11 1,12 9.529,14 0.709,15 3.791,16 1.879,17 9.374,18 2,19 9,20 1.828,21 1.91,22 3.904,23 6.504,24 8.764,25 2,26 15,27 6.625,28 3.937,29 1.826,30 3.959,31 3.279,32 0.317,33 0.149,34 3.845,35 0.067,36 1.81,37 3.837,38 1.41,39 4.594,40 1.315,41 3,42 3.252,43 1.487,44 0.218,45 1.181,46 7.693,47 6.023,48 4,49 7.247,50 0.867,51 0.03,52 2.015,53 4.349,54 1.241,55 2.199,56 4.492,57 7.491,58 3.747,59 41.906,60 0.013,61 0.006,62 3.851,63 -0.369,64 41,65 4.603,66 0.821,68 1.559,69 20.268,70 4.405,71 7.1}
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{0 CHEMBL1983589,1 1,3 2,4 0.708,6 8,7 70.584,8 2,9 1,10 4,11 4,12 12.251,14 0.825,15 3.854,16 1.818,17 12.249,18 7,19 4,20 1.88,21 1.867,22 3.906,23 8.839,24 10.621,25 1,26 19,27 8.41,28 3.965,29 1.903,30 4.733,31 3.24,32 0.05,33 0.008,34 3.771,35 0.001,36 1.783,37 3.769,38 1.423,39 4.978,40 0.8,41 3,42 3.241,43 1.512,44 0.575,45 1.467,46 8.599,47 6.563,48 3,49 7.961,50 0.843,52 1.992,53 4.605,54 1.49,55 2.665,56 7.864,57 8.117,58 3.882,59 48.84,62 4.02,63 1.819,64 46,65 4.994,66 0.589,67 2,68 1.574,69 28.461,70 4.73,71 8.2}
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{0 CHEMBL1983640,1 1,7 72.52,10 4,11 4,12 17.143,14 0.972,15 4.336,16 1.879,17 14.255,18 4,19 11,20 1.976,21 1.906,22 3.945,23 11.213,24 14.814,25 1,26 26,27 11.532,28 3.976,29 1.978,30 6.504,31 3.592,32 2.653,33 3.344,34 3.858,35 4.195,36 1.955,37 3.861,38 1.717,39 5.169,40 2.912,41 4,42 3.607,43 1.548,44 0.692,45 1.531,46 11.401,47 9.429,48 4,49 11.419,50 1.122,51 5.126,52 2.009,53 4.935,54 1.612,55 3.633,56 13.376,57 11.67,58 4.26,59 71.027,60 6.096,61 7.085,62 4.373,63 1.471,64 67,65 5.271,66 1.064,67 1,68 1.875,69 33.878,70 4.988,71 6.2}
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{0 CHEMBL1983923,7 55.046,10 2,11 2,12 15.345,14 0.829,15 4.302,16 1.778,17 13.043,18 4,19 4,20 1.87,21 1.833,22 3.903,23 10.278,24 12.457,26 25,27 11.686,28 3.953,29 1.884,30 6.267,31 3.523,32 0.679,33 0.438,34 3.769,35 0.292,36 1.823,37 3.787,38 1.582,39 5.04,40 1.2,41 4,42 3.535,43 1.464,44 0.641,45 1.519,46 10.72,47 7.59,48 5,49 9.087,50 0.9,51 0.195,52 2.001,53 4.806,54 1.577,55 3.11,56 13.157,57 9.361,58 4.068,59 60.225,60 0.129,61 0.084,62 4.214,63 0.247,64 56,65 5.148,66 1.022,67 3,68 1.778,69 30.143,70 4.802,71 5.5}
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{0 CHEMBL1983963,7 57.873,10 4,11 4,12 10.593,14 0.615,15 3.853,16 1.882,17 8.701,18 5,19 10,20 1.898,21 1.911,22 3.934,23 7.339,24 8.744,25 1,26 17,27 7.505,28 3.968,29 1.93,30 4.06,31 3.181,32 2.415,33 3.244,34 3.856,35 4.156,36 1.8,37 3.854,38 1.368,39 4.728,40 2.912,41 3,42 3.225,43 1.528,44 0.285,45 1.333,46 7.899,47 6.688,48 3,49 8.009,50 0.855,51 5.111,52 2.009,53 4.51,54 1.489,55 2.4,56 7.895,57 8.208,58 3.913,59 49.402,60 6.091,61 7.083,62 4.029,63 1.698,64 47,65 4.849,66 0.82,67 1,68 1.561,69 21.067,70 4.559,71 6.1}
{0 CHEMBL1983980,6 2,7 30.659,10 3,11 3,12 15.515,14 0.9,15 4.179,16 1.911,17 14.343,18 3,19 18,20 1.979,21 1.929,22 4.016,23 9.91,24 14.629,26 22,27 9.159,28 4.035,29 1.964,30 5.599,31 3.685,32 2.615,33 3.113,34 3.994,35 3.719,36 1.98,37 3.958,38 1.534,39 5.108,40 2.873,41 4,42 3.654,43 1.571,44 0.683,45 1.456,46 11.51,47 9.522,48 6,49 11.599,50 1.1,51 4.382,52 2.011,53 4.845,54 1.607,55 3.482,56 14.307,57 11.972,58 4.227,59 66.408,60 5.075,61 5.784,62 4.312,63 0.791,64 65,65 5.209,66 1.088,67 1,68 1.704,69 40.349,70 4.953,71 6}
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{0 CHEMBL1984162,3 2,4 0.483,6 8,7 76.587,8 2,10 3,11 3,12 20.87,14 0.993,15 4.608,16 1.914,17 18.295,18 3,19 14,20 2.024,21 1.939,22 4.082,23 14.783,24 19.761,25 1,26 33,27 15.427,28 4.103,29 2.024,30 8.49,31 3.668,32 1.175,33 0.966,34 3.958,35 0.788,36 2.019,37 3.976,38 1.736,39 5.372,40 1.72,41 4,42 3.672,43 1.522,44 0.825,45 1.641,46 19.602,47 10.57,48 8,49 12.773,50 1.138,51 0.634,52 2.034,53 5.128,54 1.767,55 4.401,56 21.493,57 13.122,58 4.391,59 81.514,60 0.504,61 0.395,62 4.514,63 0.773,64 77,65 5.516,66 1.135,67 1,68 1.812,69 44.77,70 5.171,71 6.5}
{0 CHEMBL1984191,1 2,7 46.133,10 1,11 1,12 4.278,14 0.251,15 3.041,16 1.722,17 4.314,18 2,19 1,20 1.543,21 1.76,22 3.817,23 2.669,24 4.17,25 3,26 8,27 1.582,28 3.849,29 1.598,30 1.759,31 2.811,34 3.72,36 1.408,37 3.726,38 1.223,39 4.169,41 3,42 2.786,43 1.539,44 0.019,45 1.051,46 3.945,47 4.402,48 2,49 5.332,50 0.491,52 1.896,53 4.001,54 1.057,55 1.473,56 2.758,57 5.501,58 3.451,59 30.127,62 3.547,63 -0.198,64 29,65 4.181,66 0.28,68 1.363,69 10.406,70 4.034,71 5}
{0 CHEMBL1984206,1 2,6 3,7 85.445,10 3,11 3,12 7,14 0.562,15 3.536,16 1.801,17 7.146,18 3,19 2,20 1.735,21 1.833,22 3.865,23 5.935,24 6.562,25 2,26 15,27 6.484,28 3.904,29 1.711,30 3.542,31 3.208,32 3.669,33 4.99,34 3.761,35 6.385,36 1.782,37 3.768,38 1.334,39 4.548,40 4.069,41 2,42 3.223,43 1.621,44 0.171,45 1.181,46 6.085,47 5.342,48 5,49 6.39,50 0.901,51 7.799,52 1.955,53 4.337,54 1.252,55 2.151,56 6.48,57 6.541,58 3.71,59 41.986,60 9.218,61 10.638,62 3.831,63 1.114,64 38,65 4.564,66 0.623,67 1,68 1.509,69 16.142,70 4.36,71 5}
{0 CHEMBL1984236,7 35.902,10 2,11 2,12 9.41,14 0.544,15 3.478,16 1.632,17 7.565,18 5,19 4,20 1.718,21 1.659,22 3.898,23 6.448,24 9.609,26 15,27 4.353,28 3.931,29 1.721,30 3.736,31 3.209,32 0.413,33 0.246,34 3.844,35 0.157,36 1.713,37 3.829,38 1.311,39 4.474,40 1.2,41 3,42 3.212,43 1.495,44 0.459,45 1.228,46 6.471,47 5.149,48 4,49 6.127,50 0.783,51 0.102,52 1.77,53 4.338,54 1.355,55 1.905,56 5.465,57 6.5,58 3.694,59 40.246,60 0.067,61 0.043,62 3.816,63 0.378,64 38,65 4.639,66 0.804,68 1.428,69 21.975,70 4.29,71 5.4}
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{0 CHEMBL1984363,7 46.033,10 4,11 4,12 12.315,14 0.707,15 3.975,16 1.882,17 10.574,18 6,19 9,20 1.912,21 1.908,22 3.95,23 8.77,24 11.372,26 19,27 8.332,28 3.983,29 1.905,30 4.875,31 3.292,32 3.1,33 4.312,34 3.862,35 5.601,36 1.924,37 3.866,38 1.405,39 4.851,40 3.497,41 3,42 3.316,43 1.555,44 0.354,45 1.464,46 11.048,47 7.118,48 4,49 8.564,50 1.073,51 6.927,52 2.014,53 4.581,54 1.586,55 2.65,56 9.162,57 8.793,58 3.959,59 52.864,60 8.273,61 9.631,62 4.081,63 1.627,64 50,65 4.984,66 0.857,68 1.592,69 25.069,70 4.677,71 6.3}
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{0 CHEMBL1984633,1 3,3 1,4 -0.126,6 3,7 54.908,8 1,10 1,11 1,12 9.922,14 0.623,15 3.69,16 1.811,17 8.847,18 2,19 7,20 1.746,21 1.84,22 3.913,23 7.177,24 10.601,25 3,26 17,27 7.464,28 3.939,29 1.755,30 4.418,31 3.294,32 1.594,33 1.614,34 3.854,35 1.674,36 1.736,37 3.843,38 1.364,39 4.621,40 2.162,41 3,42 3.289,43 1.521,44 0.234,45 1.183,46 8.63,47 5.975,48 5,49 7.136,50 0.839,51 1.758,52 1.954,53 4.444,54 1.505,55 2.299,56 7.073,57 7.446,58 3.812,59 45.74,60 1.859,61 1.973,62 3.914,63 -0.301,64 43,65 4.705,66 0.751,68 1.564,69 22.544,70 4.451,71 7.5}
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{0 CHEMBL1984700,1 2,3 1,4 -0.161,6 12,7 65.916,8 1,10 2,11 2,12 13.897,14 0.969,15 4.098,16 1.809,17 11.893,18 2,19 4,20 1.941,21 1.848,22 3.865,23 10.147,24 11.322,25 2,26 24,27 10.484,28 3.894,29 1.95,30 5.982,31 3.523,32 0.763,33 0.597,34 3.757,35 0.47,36 1.924,37 3.771,38 1.654,39 5.121,40 1.72,41 3,42 3.526,43 1.551,44 0.542,45 1.417,46 12.365,47 8.227,48 7,49 9.87,50 1.061,51 0.367,52 1.977,53 4.859,54 1.797,55 3.36,56 14.501,57 10.208,58 4.159,59 65.24,60 0.283,61 0.217,62 4.278,63 0.252,64 60,65 5.243,66 0.81,68 1.862,69 34.584,70 4.937,71 5}
{0 CHEMBL1984711,1 1,4 0.482,7 67.417,8 1,10 2,11 2,12 15.188,14 0.825,15 4.243,16 1.84,17 14.006,18 4,19 4,20 1.895,21 1.879,22 3.931,23 11.395,24 13.194,25 1,26 27,27 12.595,28 3.956,29 1.924,30 6.75,31 3.48,32 1.478,33 1.237,34 3.813,35 1.029,36 1.823,37 3.821,38 1.434,39 5.11,40 1.72,41 4,42 3.5,43 1.483,44 0.584,45 1.572,46 12.474,47 8.245,48 8,49 9.847,50 0.901,51 0.845,52 2.008,53 4.891,54 1.565,55 3.453,56 10.47,57 10.107,58 4.174,59 65.896,60 0.684,61 0.546,62 4.29,63 0.257,64 61,65 5.183,66 1.07,67 1,68 1.608,69 32.577,70 4.903,71 5}
{0 CHEMBL1984760,6 2,7 85.472,10 3,11 3,12 9.452,14 0.819,15 3.823,16 1.811,17 10.684,18 6,19 6,20 1.864,21 1.844,22 3.927,23 8.941,24 9.236,26 20,27 8.409,28 3.956,29 1.838,30 4.973,31 3.429,32 4.576,33 6.667,34 3.848,35 8.85,36 1.91,37 3.85,38 1.501,39 4.973,40 4.53,41 2,42 3.445,43 1.505,44 0.535,45 1.454,46 9.76,47 7.131,48 7,49 8.62,50 1.083,51 11.055,52 1.967,53 4.708,54 1.645,55 2.995,56 9.445,57 8.741,58 3.981,59 55.457,60 13.264,61 15.474,62 4.11,63 0.988,64 50,65 4.924,66 0.821,68 1.651,69 24.435,70 4.739,71 5.4}
{0 CHEMBL1984788,2 1,4 0.322,6 3,7 81.446,8 1,10 4,11 4,12 12.355,13 1,14 0.785,15 3.722,16 1.908,17 12.302,18 5,19 5,20 1.9,21 1.924,22 3.943,23 8.67,24 11.014,26 18,27 7.408,28 3.98,29 1.898,30 4.563,31 3.247,32 1.063,33 1.022,34 3.869,35 0.993,36 1.899,37 3.867,38 1.364,39 4.949,40 1.96,41 3,42 3.27,43 1.573,44 0.442,45 1.359,46 9.216,47 6.797,48 3,49 8.285,50 1.076,51 0.967,52 2.006,53 4.599,54 1.435,55 2.678,56 6.077,57 8.449,58 3.906,59 49.808,60 0.942,61 0.917,62 4.027,63 1.735,64 47,65 4.996,66 0.865,68 1.513,69 26.813,70 4.745,71 5}
{0 CHEMBL1984842,1 2,4 0.326,6 1,7 70.508,8 1,10 2,11 2,12 17.81,14 0.983,15 4.357,16 1.812,17 16.206,18 2,19 6,20 1.975,21 1.853,22 3.855,23 12.458,24 14.116,25 2,26 29,27 13.152,28 3.901,29 1.967,30 7.354,31 3.578,32 0.763,33 0.597,34 3.758,35 0.47,36 1.972,37 3.766,38 1.704,39 5.223,40 1.72,41 3,42 3.586,43 1.547,44 0.55,45 1.417,46 14.543,47 8.939,48 9,49 10.62,50 1.116,51 0.367,52 1.986,53 4.962,54 1.838,55 3.743,56 18.276,57 11.025,58 4.238,59 71.731,60 0.283,61 0.217,62 4.364,63 0.206,64 66,65 5.478,66 0.88,68 1.901,69 45.221,70 5.021,71 5.2}
{0 CHEMBL1985074,6 2,7 27.552,10 1,11 1,12 6.331,14 0.491,15 3.04,16 1.654,17 6.798,18 1,20 1.51,21 1.688,22 3.717,23 5.591,24 6.08,26 11,27 3.744,28 3.756,29 1.434,30 2.851,31 3.026,32 5.043,33 7.187,34 3.628,35 9.348,36 1.523,37 3.611,38 1.11,39 4.373,40 5.9,41 1,42 3.017,43 1.742,44 0.184,45 1.092,46 4.974,47 4.456,48 1,49 5.421,50 0.679,51 11.511,52 1.845,53 4.148,54 1.272,55 1.705,56 3.362,57 5.736,58 3.493,59 32.146,60 13.675,61 15.838,62 3.583,63 -0.225,64 31,65 4.355,66 0.173,68 1.32,69 17.203,70 4.222,71 5}
{0 CHEMBL1985092,7 34.674,10 4,11 4,12 9.63,14 0.593,15 3.791,16 1.854,17 9.204,18 9,19 14,20 1.944,21 1.879,22 3.883,23 6.704,24 9.049,26 16,27 6.584,28 3.909,29 1.936,30 3.855,31 3.491,32 0.05,33 0.008,34 3.827,35 0.001,36 1.955,37 3.82,38 1.363,39 4.742,40 0.8,41 4,42 3.516,43 1.5,44 0.218,45 1.181,46 8.688,47 6.675,48 4,49 8.058,50 1.033,52 1.978,53 4.427,54 1.487,55 2.34,56 11.503,57 8.25,58 3.89,59 47.764,62 3.988,63 1.661,64 46,65 4.801,66 0.821,67 2,68 1.443,69 21.008,70 4.58,71 6.7}
{0 CHEMBL1985095,1 2,7 75.703,10 5,11 5,12 11.783,14 0.831,15 3.942,16 1.901,17 9.659,18 2,19 4,20 1.971,21 1.917,22 4.071,23 7.419,24 10.856,25 2,26 17,27 7.279,28 4.1,29 1.965,30 3.993,31 3.347,32 2.977,33 4.141,34 4.013,35 5.38,36 1.878,37 4.002,38 1.586,39 4.87,40 3.388,41 3,42 3.34,43 1.571,44 0.462,45 1.411,46 10.341,47 7.911,48 4,49 9.616,50 1.025,51 6.654,52 1.989,53 4.653,54 1.602,55 2.717,56 10.964,57 9.876,58 4.049,59 54.694,60 7.949,61 9.254,62 4.162,63 2.376,64 54,65 4.966,66 0.943,67 2,68 1.698,69 24.596,70 4.719,71 5.8}
{0 CHEMBL1985206,7 26.547,10 1,11 1,12 7.856,14 0.694,15 3.621,16 1.631,17 7.668,18 2,19 5,20 1.699,21 1.644,22 3.84,23 6.432,24 7.83,26 14,27 6.161,28 3.852,29 1.699,30 3.729,31 3.318,32 2.254,33 2.862,34 3.871,35 3.523,36 1.691,37 3.805,38 1.432,39 4.405,40 2.837,41 2,42 3.322,43 1.533,44 0.506,45 1.37,46 7.3,47 5.638,48 2,49 6.8,50 0.728,51 4.205,52 1.715,53 4.34,54 1.532,55 2.079,56 6.21,57 7.093,58 3.709,59 39.617,60 4.897,61 5.592,62 3.801,63 -0.354,64 39,65 4.514,66 0.723,68 1.606,69 15.051,70 4.256,71 5.4}
{0 CHEMBL1985311,7 57.157,10 6,11 6,12 10.973,14 0.562,15 3.849,16 1.878,17 9.829,18 6,19 7,20 1.881,21 1.903,22 3.948,23 7.76,24 10.099,26 18,27 7.948,28 3.979,29 1.879,30 4.292,31 3.218,32 2.474,33 3.259,34 3.857,35 4.159,36 1.885,37 3.862,38 1.396,39 4.86,40 2.912,41 3,42 3.249,43 1.548,44 0.329,45 1.354,46 9.627,47 7.101,48 4,49 8.578,50 0.98,51 5.112,52 2.007,53 4.567,54 1.556,55 2.5,56 7.35,57 8.718,58 3.981,59 53.156,60 6.091,61 7.083,62 4.101,63 3.305,64 50,65 4.952,66 0.83,67 1,68 1.544,69 23.331,70 4.681,71 6.1}
{0 CHEMBL1985367,1 1,7 47.465,10 1,11 1,12 8.583,14 0.528,15 3.824,16 1.819,17 7.624,18 2,19 8,20 1.849,21 1.857,22 3.876,23 6.947,24 6.261,25 1,26 16,27 7.134,28 3.915,29 1.841,30 4.132,31 2.997,32 0.05,33 0.008,34 3.782,35 0.001,36 1.848,37 3.786,38 1.189,39 4.548,40 0.8,41 3,42 3.001,43 1.46,44 0.256,45 1.182,46 7.642,47 5.483,48 3,49 6.495,50 0.906,52 1.98,53 4.345,54 1.378,55 2.143,56 8.138,57 6.751,58 3.701,59 41.484,62 3.829,63 -0.338,64 39,65 4.597,66 0.741,68 1.5,69 16.972,70 4.341,71 5.4}
{0 CHEMBL1985406,7 53.04,10 2,11 2,12 7.754,14 0.586,15 3.549,16 1.747,17 8.446,18 3,19 5,20 1.849,21 1.771,22 3.879,23 6.985,24 6.81,26 15,27 6.201,28 3.91,29 1.844,30 3.908,31 3.211,32 2.904,33 4.037,34 3.773,35 5.25,36 1.855,37 3.785,38 1.399,39 4.702,40 3.306,41 2,42 3.226,43 1.56,44 0.26,45 1.138,46 6.977,47 5.887,48 4,49 7.075,50 0.957,51 6.501,52 1.909,53 4.406,54 1.396,55 2.421,56 6.138,57 7.21,58 3.753,59 43.29,60 7.771,61 9.051,62 3.87,63 0.321,64 40,65 4.677,66 0.676,68 1.562,69 18.418,70 4.502,71 5}
{0 CHEMBL1985566,6 2,7 90.138,10 2,11 2,12 22.466,14 1.047,15 4.716,16 1.903,17 19.133,18 5,19 11,20 2.013,21 1.929,22 3.951,23 14.302,24 25.156,26 32,27 14.394,28 3.981,29 2.011,30 8.433,31 3.721,32 4.472,33 6.244,34 3.874,35 8.079,36 2.01,37 3.874,38 1.802,39 5.39,40 5.034,41 4,42 3.72,43 1.584,44 0.868,45 1.649,46 21.728,47 11.158,48 8,49 13.559,50 1.22,51 9.923,52 2.047,53 5.098,54 1.844,55 4.418,56 16.312,57 13.864,58 4.407,59 82.644,60 11.769,61 13.615,62 4.512,63 0.078,64 79,65 5.485,66 1.147,67 2,68 1.899,69 41.68,70 5.212,71 5}
{0 CHEMBL1985580,1 4,3 1,4 -0.66,6 2,7 89.632,8 1,10 3,11 3,12 14.449,14 0.92,15 4.273,16 1.887,17 13.464,18 2,19 7,20 1.928,21 1.918,22 3.954,23 9.648,24 13.756,25 4,26 22,27 9.738,28 3.99,29 1.935,30 5.725,31 3.507,32 3.019,33 4.198,34 3.87,35 5.456,36 1.899,37 3.873,38 1.615,39 4.981,40 3.416,41 3,42 3.511,43 1.498,44 0.483,45 1.458,46 13.064,47 7.879,48 6,49 9.455,50 1.007,51 6.751,52 2.026,53 4.654,54 1.6,55 2.933,56 9.923,57 9.675,58 4.036,59 57.939,60 8.066,61 9.392,62 4.157,63 0.801,64 55,65 5.062,66 0.821,68 1.792,69 27.439,70 4.783,71 7}
{0 CHEMBL1985681,3 1,4 -0.96,6 2,7 62.187,8 2,10 2,11 2,12 10.289,14 0.688,15 3.695,16 1.858,17 10.303,18 5,19 5,20 1.747,21 1.883,22 3.919,23 7.539,24 8.94,26 15,27 6.538,28 3.951,29 1.747,30 3.955,31 3.231,32 4.16,33 5.544,34 3.837,35 6.977,36 1.753,37 3.838,38 1.299,39 4.82,40 4.18,41 2,42 3.243,43 1.666,44 0.227,45 1.216,46 7.789,47 6.134,48 1,49 7.5,50 0.914,51 8.429,52 1.969,53 4.438,54 1.378,55 2.418,56 6.369,57 7.628,58 3.762,59 42.405,60 9.891,61 11.36,62 3.863,63 0.278,64 41,65 4.83,66 0.681,68 1.466,69 21.179,70 4.63,71 5.7}
{0 CHEMBL1985723,1 1,7 82.307,9 1,10 4,11 4,12 13.879,14 0.586,15 3.896,16 1.763,17 11.845,18 5,19 3,20 1.896,21 1.811,22 3.86,23 8.83,24 12.173,25 1,26 20,27 8.886,28 3.915,29 1.896,30 4.985,31 3.219,32 0.05,33 0.008,34 3.726,35 0.001,36 1.853,37 3.734,38 1.392,39 4.832,40 0.8,41 2,42 3.223,43 1.527,44 0.477,45 1.417,46 9.198,47 6.014,48 5,49 7.162,50 0.906,52 1.978,53 4.559,54 1.461,55 2.412,56 9.045,57 7.471,58 3.853,59 48.757,62 3.995,63 1.822,64 45,65 5.105,66 0.804,67 1,68 1.544,69 32.001,70 4.624,71 7.6}
{0 CHEMBL1986139,7 26.946,10 1,11 1,12 3.966,14 0.231,15 2.871,16 1.734,17 4.296,18 3,19 2,20 1.456,21 1.759,22 3.863,23 3.136,24 3.743,25 1,26 8,27 2.058,28 3.892,29 1.396,30 1.835,31 2.855,32 0.05,33 0.008,34 3.81,35 0.001,36 1.309,37 3.798,38 0.971,39 4.108,40 0.8,41 2,42 2.863,43 1.505,44 0.016,45 0.89,46 3.334,47 4.048,48 2,49 4.885,50 0.559,52 1.87,53 3.913,54 1.107,55 1.373,56 2.949,57 5.1,58 3.369,59 27.605,62 3.458,63 -0.198,64 27,65 4.06,68 1.181,69 10.805,70 3.948,71 5}
{0 CHEMBL1986143,1 2,3 1,4 -0.21,7 38.64,8 1,10 2,11 2,12 12.251,14 0.862,15 4.059,16 1.894,17 12.25,18 4,19 10,20 1.85,21 1.923,22 3.92,23 8.778,24 12.748,25 2,26 20,27 8.865,28 3.953,29 1.851,30 5.287,31 3.405,32 1.343,33 1.438,34 3.86,35 1.555,36 1.841,37 3.853,38 1.548,39 4.853,40 2.162,41 3,42 3.402,43 1.498,44 0.218,45 1.181,46 12.129,47 6.661,48 6,49 8.01,50 0.965,51 1.679,52 2.024,53 4.513,54 1.435,55 2.601,56 8.89,57 8.178,58 3.883,59 50.152,60 1.807,61 1.939,62 3.995,63 0.194,64 47,65 4.894,66 0.821,68 1.786,69 23.698,70 4.643,71 8.2}
{0 CHEMBL1986177,7 54.682,10 3,11 3,12 8.326,14 0.628,15 3.516,16 1.775,17 7.865,18 4,19 5,20 1.785,21 1.81,22 3.924,23 6.491,24 7.269,25 1,26 15,27 4.9,28 3.953,29 1.782,30 3.48,31 3.302,32 2.419,33 3.244,34 3.861,35 4.156,36 1.766,37 3.843,38 1.408,39 4.731,40 2.912,41 3,42 3.292,43 1.497,44 0.389,45 1.269,46 7.513,47 6.691,48 6,49 8.108,50 0.9,51 5.111,52 1.956,53 4.501,54 1.514,55 2.376,56 6.338,57 8.442,58 3.9,59 48.059,60 6.091,61 7.083,62 4.002,63 1.023,64 46,65 4.686,66 0.824,68 1.455,69 21.945,70 4.544,71 5.4}
{0 CHEMBL1986186,1 2,3 1,4 -0.004,6 3,7 86.967,8 1,10 2,11 2,12 12.005,14 0.721,15 3.745,16 1.756,17 9.518,19 6,20 1.808,21 1.804,22 3.813,23 7.613,24 9.846,25 2,26 19,27 8.617,28 3.864,29 1.82,30 4.806,31 3.032,32 0.418,33 0.171,34 3.7,35 0.065,36 1.762,37 3.7,38 1.256,39 4.648,40 1.2,41 2,42 3.008,43 1.578,44 0.469,45 1.417,46 7.364,47 5.165,48 3,49 6.077,50 0.846,51 0.024,52 1.958,53 4.413,54 1.308,55 2.256,56 7.988,57 6.424,58 3.741,59 44.235,60 0.009,61 0.003,62 3.863,63 0.361,64 40,65 4.955,66 0.667,67 1,68 1.614,69 25.384,70 4.45,71 6.5}
{0 CHEMBL1986263,1 1,6 6,7 54.594,10 1,11 1,12 10.25,14 0.694,15 3.68,16 1.75,17 8.283,18 2,19 4,20 1.813,21 1.783,22 3.869,23 7.566,24 9.852,25 1,26 18,27 8.091,28 3.895,29 1.81,30 4.561,31 3.188,32 6.421,33 9.285,34 3.797,35 12.162,36 1.806,37 3.785,38 1.368,39 4.648,40 8.339,41 3,42 3.156,43 1.635,44 0.275,45 1.229,46 9.013,47 6.019,48 5,49 7.172,50 0.917,51 15.045,52 1.912,53 4.516,54 1.532,55 2.5,56 7.159,57 7.51,58 3.843,59 47.238,60 17.934,61 20.828,62 3.955,63 -0.26,64 44,65 4.704,66 0.722,67 1,68 1.652,69 24.927,70 4.466,71 6}
{0 CHEMBL1986265,4 -0.334,7 21.793,8 1,10 1,11 1,12 11.262,14 0.656,15 3.63,16 1.877,17 10.282,18 1,19 5,20 1.911,21 1.905,22 3.923,23 7.483,24 9.636,26 17,27 6.069,28 3.956,29 1.907,30 4.459,31 3.143,32 5.587,33 8.115,34 3.846,35 10.755,36 1.908,37 3.844,38 1.255,39 4.798,40 5.409,41 3,42 3.175,43 1.511,44 0.325,45 1.204,46 8.607,47 6.487,48 6,49 7.957,50 1.1,51 13.424,52 2.016,53 4.592,54 1.359,55 2.451,56 6.398,57 8.106,58 3.907,59 50.242,60 16.102,61 18.784,62 3.994,63 -0.272,64 46,65 4.992,66 0.809,68 1.468,69 34.203,70 4.641,71 5.4}
{0 CHEMBL1986328,7 30.937,10 1,11 1,12 7.639,14 0.689,15 3.749,16 1.603,17 7.422,18 2,19 1,20 1.7,21 1.628,22 3.859,23 6.327,24 7.381,26 16,27 6.855,28 3.875,29 1.705,30 3.916,31 3.37,32 2.511,33 3.388,34 3.735,35 4.358,36 1.707,37 3.749,38 1.464,39 4.656,40 2.972,41 3,42 3.408,43 1.539,44 0.469,45 1.417,46 7.874,47 6.366,48 3,49 7.625,50 0.816,51 5.372,52 1.835,53 4.508,54 1.581,55 2.317,56 8.641,57 7.837,58 3.877,59 47.113,60 6.409,61 7.458,62 3.977,63 -0.294,64 45,65 4.751,66 0.879,67 1,68 1.644,69 19.699,70 4.495,71 5}
{0 CHEMBL1986499,7 27.774,10 3,11 3,12 10.024,14 0.734,15 3.981,16 1.884,17 9.753,18 2,19 15,20 1.955,21 1.912,22 3.991,23 7.442,24 9.201,26 17,27 7.388,28 4.037,29 1.948,30 4.331,31 3.505,32 0.138,33 0.039,34 3.885,35 0.011,36 1.964,37 3.892,38 1.416,39 4.843,40 1.043,41 4,42 3.54,43 1.528,44 0.412,45 1.293,46 9.851,47 7.353,48 4,49 8.885,50 1.062,51 0.003,52 2.005,53 4.576,54 1.619,55 2.61,56 11.426,57 9.045,58 3.969,59 51.821,60 0.001,62 4.092,63 0.891,64 50,65 4.945,66 0.821,67 4,68 1.566,69 22.234,70 4.656,71 7.1}
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{0 CHEMBL1986530,1 2,7 78.765,10 1,11 1,12 15.845,14 0.825,15 4.201,16 1.856,17 16.153,18 1,19 2,20 1.964,21 1.887,22 3.921,23 11.656,24 15.594,25 2,26 25,27 11.069,28 3.971,29 1.967,30 6.564,31 3.507,32 2.213,33 2.324,34 3.811,35 2.474,36 1.951,37 3.815,38 1.639,39 5.248,40 2.293,41 4,42 3.517,43 1.581,44 0.765,45 1.513,46 15.567,47 8.968,48 4,49 10.951,50 1.17,51 2.655,52 2.039,53 4.931,54 1.659,55 3.744,56 13.328,57 11.116,58 4.175,59 65.9,60 2.864,61 3.098,62 4.299,63 -0.322,64 62,65 5.318,66 1.05,68 1.804,69 36.769,70 5.034,71 5}
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{0 CHEMBL1986597,7 87.08,10 4,11 4,12 13.837,14 1.084,15 4.125,16 1.908,17 13.924,18 6,19 3,20 2.003,21 1.931,22 4.087,23 10.162,24 13.284,26 23,27 12.199,28 4.075,29 2,30 5.746,31 3.643,32 1.871,33 1.856,34 4.016,35 1.863,36 1.975,37 3.986,38 1.705,39 5.145,40 2.117,41 4,42 3.621,43 1.596,44 0.563,45 1.492,46 13.489,47 8.912,48 6,49 10.862,50 1.113,51 1.887,52 2.028,53 4.867,54 1.615,55 3.326,56 12.061,57 11.157,58 4.208,59 66.195,60 1.923,61 1.969,62 4.304,63 1.55,64 63,65 5.252,66 1.064,68 1.89,69 39.384,70 4.986,71 5.8}
{0 CHEMBL1986603,1 1,7 90.404,10 3,11 3,12 11.293,14 0.817,15 3.941,16 1.615,17 9.641,18 4,19 3,20 1.742,21 1.666,22 3.901,23 9.01,24 10.028,25 1,26 21,27 9.25,28 3.934,29 1.749,30 5.147,31 3.532,32 3.348,33 4.398,34 3.746,35 5.535,36 1.76,37 3.732,38 1.519,39 4.938,40 3.306,41 4,42 3.532,43 1.526,44 0.506,45 1.474,46 11.778,47 7.843,48 7,49 9.422,50 0.846,51 6.722,52 1.889,53 4.739,54 1.631,55 2.997,56 8.548,57 9.734,58 4.097,59 59.943,60 7.942,61 9.182,62 4.214,63 0.946,64 56,65 4.938,66 1.094,67 1,68 1.717,69 30.363,70 4.744,71 5}
{0 CHEMBL1986756,1 1,7 69.089,10 2,11 2,12 8.493,14 0.595,15 3.571,16 1.802,17 8.157,18 3,19 5,20 1.788,21 1.838,22 3.909,23 6.716,24 8.008,25 1,26 15,27 5.749,28 3.95,29 1.77,30 3.767,31 3.153,32 5.464,33 8.065,34 3.773,35 10.736,36 1.824,37 3.79,38 1.304,39 4.733,40 5.335,41 2,42 3.203,43 1.511,44 0.247,45 1.185,46 6.575,47 6.287,48 3,49 7.591,50 0.965,51 13.417,52 1.974,53 4.507,54 1.458,55 2.456,56 6.382,57 7.71,58 3.837,59 47.128,60 16.1,61 18.783,62 3.951,63 0.327,64 43,65 4.749,66 0.636,68 1.546,69 17.706,70 4.539,71 5.4}
{0 CHEMBL1986781,1 1,3 1,4 0.196,7 42.955,8 1,10 1,11 1,12 12.668,14 0.825,15 3.997,16 1.792,17 11.994,18 2,19 2,20 1.906,21 1.848,22 3.899,23 9.324,24 13.029,25 1,26 21,27 9.153,28 3.962,29 1.923,30 5.291,31 3.554,32 2.97,33 4.132,34 3.754,35 5.382,36 1.847,37 3.764,38 1.478,39 5.085,40 3.348,41 4,42 3.583,43 1.537,44 0.634,45 1.513,46 11.615,47 8.055,48 4,49 9.801,50 0.911,51 6.67,52 2.002,53 4.803,54 1.639,55 3.186,56 10.952,57 9.967,58 4.088,59 59.07,60 7.976,61 9.292,62 4.204,63 -0.297,64 56,65 5.109,66 1.064,67 1,68 1.686,69 28.142,70 4.871,71 5}
{0 CHEMBL1986869,1 2,7 51.262,10 3,11 3,12 7.693,14 0.678,15 3.453,16 1.689,17 5.907,18 2,19 2,20 1.734,21 1.721,22 3.855,23 5.666,24 6.055,25 2,26 13,27 4.906,28 3.885,29 1.744,30 3.073,31 3.314,32 1.255,33 1.338,34 3.821,35 1.422,36 1.745,37 3.761,38 1.525,39 4.506,40 2.117,41 3,42 3.311,43 1.56,44 0.232,45 1.181,46 6.843,47 5.936,48 3,49 7.154,50 0.831,51 1.51,52 1.842,53 4.349,54 1.421,55 2.076,56 4.765,57 7.506,58 3.779,59 42.202,60 1.599,61 1.69,62 3.877,63 1.045,64 41,65 4.549,66 0.748,68 1.517,69 21.417,70 4.36,71 7}
{0 CHEMBL1986899,1 1,7 22.735,10 1,11 1,12 10.298,14 0.647,15 3.902,16 1.881,17 9.648,18 3,19 4,20 1.862,21 1.911,22 3.912,23 7.55,24 9.663,25 1,26 17,27 7.398,28 3.944,29 1.855,30 4.57,31 3.143,32 0.317,33 0.149,34 3.848,35 0.067,36 1.872,37 3.843,38 1.296,39 4.654,40 1.315,41 3,42 3.145,43 1.477,44 0.218,45 1.181,46 7.475,47 5.81,48 4,49 6.94,50 0.99,51 0.03,52 2.011,53 4.384,54 1.343,55 2.25,56 6.496,57 7.158,58 3.744,59 43.658,60 0.013,61 0.006,62 3.863,63 -0.399,64 41,65 4.745,66 0.73,68 1.567,69 20.274,70 4.453,71 5.8}
{0 CHEMBL1986943,1 1,3 2,4 0.085,6 8,7 42.342,8 2,9 1,10 3,11 3,12 11.248,14 0.825,15 3.718,16 1.81,17 11.743,18 6,19 4,20 1.878,21 1.859,22 3.896,23 8.401,24 9.553,25 1,26 18,27 7.815,28 3.952,29 1.9,30 4.515,31 3.218,32 0.05,33 0.008,34 3.756,35 0.001,36 1.789,37 3.754,38 1.385,39 4.945,40 0.8,41 3,42 3.223,43 1.514,44 0.495,45 1.428,46 7.575,47 6.48,48 3,49 7.893,50 0.825,52 1.993,53 4.576,54 1.438,55 2.62,56 8.105,57 8.035,58 3.866,59 47.551,62 3.988,63 1.039,64 45,65 4.928,66 0.67,67 3,68 1.53,69 26.737,70 4.713,71 8.1}
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{0 CHEMBL1987007,3 1,4 0.276,7 47.396,8 1,10 2,11 2,12 13.54,14 0.821,15 3.852,16 1.775,17 12.534,18 4,19 2,20 1.711,21 1.836,22 3.87,23 9.271,24 11.596,26 20,27 9.454,28 3.936,29 1.72,30 5.318,31 3.221,32 1.379,33 1.406,34 3.787,35 1.462,36 1.677,37 3.764,38 1.444,39 4.906,40 2.117,41 3,42 3.249,43 1.543,44 0.606,45 1.351,46 9.002,47 6.568,48 3,49 7.937,50 0.825,51 1.533,52 2.011,53 4.624,54 1.528,55 2.694,56 6.153,57 8.205,58 3.894,59 49.444,60 1.613,61 1.698,62 4.018,63 0.296,64 47,65 5.005,66 0.821,68 1.598,69 29.856,70 4.688,71 5}
{0 CHEMBL1987009,7 37.096,10 2,11 2,12 9.505,14 0.71,15 3.783,16 1.881,17 9.464,18 3,19 4,20 1.73,21 1.905,22 3.923,23 7.393,24 10.108,26 17,27 7.479,28 3.95,29 1.743,30 4.418,31 3.267,32 1.594,33 1.614,34 3.849,35 1.674,36 1.686,37 3.847,38 1.46,39 4.674,40 2.162,41 3,42 3.299,43 1.537,44 0.544,45 1.322,46 8.913,47 6.554,48 5,49 7.876,50 0.821,51 1.758,52 2.008,53 4.491,54 1.528,55 2.392,56 5.89,57 8.154,58 3.88,59 47.74,60 1.859,61 1.973,62 3.98,63 0.251,64 46,65 4.746,66 0.821,68 1.59,69 21.52,70 4.515,71 5}
{0 CHEMBL1987034,1 1,7 82.62,10 4,11 4,12 8.242,14 0.626,15 3.498,16 1.867,17 7.095,18 4,19 5,20 1.853,21 1.892,22 3.941,23 6.158,24 8.759,25 1,26 15,27 5.012,28 3.964,29 1.866,30 3.285,31 3.533,32 4.534,33 6.427,34 3.847,35 8.336,36 1.713,37 3.847,38 1.449,39 4.743,40 5.199,41 3,42 3.461,43 1.615,44 0.261,45 1.208,46 7.454,47 6.522,48 7,49 7.859,50 0.782,51 10.246,52 2.005,53 4.491,54 1.604,55 2.212,56 6.341,57 8.185,58 3.916,59 49.456,60 12.157,61 14.067,62 4.006,63 1.766,64 46,65 4.762,66 0.821,67 2,68 1.572,69 21.065,70 4.591,71 6.1}
{0 CHEMBL1987054,3 2,4 0.465,6 8,7 67.761,8 2,10 3,11 3,12 19.386,14 0.993,15 4.438,16 1.9,17 17.107,18 3,19 13,20 1.998,21 1.915,22 4.074,23 13.507,24 18.188,25 1,26 30,27 13.35,28 4.092,29 1.995,30 7.638,31 3.668,32 1.175,33 0.966,34 3.951,35 0.788,36 1.991,37 3.969,38 1.736,39 5.341,40 1.72,41 4,42 3.672,43 1.528,44 0.825,45 1.527,46 17.455,47 10.318,48 8,49 12.528,50 1.137,51 0.634,52 2.024,53 5.081,54 1.767,55 4.187,56 20.893,57 12.841,58 4.359,59 78.043,60 0.504,61 0.395,62 4.476,63 0.799,64 74,65 5.453,66 1.129,67 1,68 1.812,69 43.234,70 5.145,71 7.2}
{0 CHEMBL1987073,7 45.785,10 2,11 2,12 9.928,14 0.76,15 3.938,16 1.883,17 9.987,18 3,19 16,20 1.973,21 1.912,22 3.95,23 7.181,24 8.336,26 17,27 6.607,28 4.001,29 1.965,30 4.241,31 3.567,32 1.297,33 1.348,34 3.858,35 1.425,36 1.973,37 3.854,38 1.464,39 4.874,40 2.117,41 4,42 3.605,43 1.539,44 0.431,45 1.336,46 7.382,47 7.746,48 5,49 9.357,50 1.07,51 1.51,52 2.012,53 4.609,54 1.67,55 2.731,56 8.126,57 9.566,58 4.008,59 53.634,60 1.599,61 1.69,62 4.121,63 0.225,64 52,65 4.946,66 0.821,67 4,68 1.617,69 24.248,70 4.697,71 7.3}
{0 CHEMBL1987359,2 1,6 2,7 43.452,10 3,11 3,12 14.265,13 1,14 0.923,15 4.158,16 1.631,17 14.679,18 3,19 4,20 1.883,21 1.699,22 3.716,23 11.009,24 14.233,26 25,27 11.374,28 3.785,29 1.866,30 6.417,31 3.407,32 2.042,33 2.4,34 3.545,35 2.838,36 1.876,37 3.539,38 1.494,39 5.087,40 2.549,41 1,42 3.4,43 1.552,44 0.685,45 1.562,46 14.15,47 7.366,48 9,49 8.862,50 1.128,51 3.326,52 1.92,53 4.758,54 1.636,55 3.363,56 11.768,57 9.042,58 4.012,59 57.69,60 3.846,61 4.387,62 4.14,63 0.936,64 53,65 5.089,66 0.761,68 1.675,69 30.311,70 4.852,71 5}
{0 CHEMBL1987430,1 1,7 71.624,10 2,11 2,12 9.9,14 0.691,15 3.703,16 1.802,17 9.621,18 3,19 5,20 1.847,21 1.838,22 3.909,23 7.711,24 9.073,25 1,26 17,27 6.76,28 3.949,29 1.819,30 4.319,31 3.273,32 5.464,33 8.065,34 3.773,35 10.736,36 1.892,37 3.79,38 1.411,39 4.831,40 5.335,41 2,42 3.275,43 1.506,44 0.325,45 1.3,46 8.404,47 6.714,48 4,49 8.079,50 0.967,51 13.417,52 1.974,53 4.585,54 1.49,55 2.706,56 7.023,57 8.21,58 3.898,59 50.543,60 16.1,61 18.783,62 4.015,63 0.304,64 46,65 4.848,66 0.769,68 1.617,69 21.129,70 4.624,71 5.4}
{0 CHEMBL1987448,1 1,7 27.548,9 1,10 3,11 3,12 4.933,14 0.277,15 3.06,16 1.736,17 4.624,18 3,20 1.614,21 1.775,22 3.811,23 3.613,24 5.223,25 1,26 9,27 3.275,28 3.853,29 1.629,30 1.96,31 2.859,34 3.693,36 1.54,37 3.703,38 1.028,39 4.192,41 2,42 2.853,43 1.523,45 0.898,46 4.396,47 4.085,48 1,49 4.938,50 0.527,52 1.921,53 3.979,54 1.135,55 1.391,56 2.111,57 5.065,58 3.412,59 29.183,62 3.53,63 1.251,64 28,65 4.147,66 0.072,67 1,68 1.255,69 9.117,70 4.016,71 8.3}
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{0 CHEMBL1987535,1 1,6 2,7 60.07,10 2,11 2,12 11.553,14 0.696,15 3.892,16 1.734,17 12.412,18 3,19 5,20 1.838,21 1.783,22 3.891,23 9.314,24 12.201,25 1,26 20,27 9.326,28 3.919,29 1.82,30 5.238,31 3.312,32 2.55,33 3.412,34 3.919,35 4.383,36 1.846,37 3.835,38 1.445,39 4.886,40 2.981,41 3,42 3.323,43 1.513,44 0.644,45 1.433,46 11.723,47 6.766,48 4,49 8.221,50 1.014,51 5.402,52 1.953,53 4.621,54 1.577,55 2.721,56 8.072,57 8.458,58 3.913,59 50.444,60 6.444,61 7.499,62 4.035,63 0.273,64 48,65 4.897,66 0.963,68 1.609,69 25.831,70 4.669,71 7.2}
{0 CHEMBL1987648,1 2,7 59.847,10 2,11 2,12 14.647,14 0.83,15 4.107,16 1.825,17 12.575,18 2,19 1,20 1.975,21 1.868,22 3.855,23 9.932,24 13.1,25 2,26 23,27 10.307,28 3.902,29 1.967,30 5.815,31 3.574,32 0.05,33 0.008,34 3.763,35 0.001,36 1.953,37 3.77,38 1.693,39 5.026,40 0.8,41 3,42 3.582,43 1.549,44 0.535,45 1.417,46 11.691,47 7.671,48 6,49 9.169,50 1.032,52 1.991,53 4.778,54 1.525,55 3.034,56 14.715,57 9.503,58 4.077,59 60.276,62 4.203,63 0.243,64 56,65 5.286,66 0.836,68 1.809,69 36.436,70 4.831,71 5}
{0 CHEMBL1987679,1 2,3 1,4 -0.154,6 2,7 92.915,8 1,10 4,11 4,12 13.57,14 0.845,15 4.065,16 1.917,17 12.097,18 5,19 5,20 1.895,21 1.94,22 4.018,23 8.856,24 12.325,25 2,26 20,27 8.985,28 4.038,29 1.895,30 4.987,31 3.477,32 3.523,33 4.911,34 3.934,35 6.388,36 1.886,37 3.941,38 1.653,39 4.962,40 3.889,41 3,42 3.473,43 1.558,44 0.389,45 1.299,46 10.951,47 7.736,48 6,49 9.373,50 1.069,51 7.902,52 2.024,53 4.679,54 1.61,55 2.835,56 9.457,57 9.534,58 4.046,59 55.943,60 9.436,61 10.981,62 4.153,63 1.598,64 54,65 5.042,66 0.885,67 1,68 1.775,69 26.757,70 4.782,71 6.7}
{0 CHEMBL1987756,1 2,2 2,7 58.828,10 2,11 2,12 12.593,13 1,14 0.847,15 3.822,16 1.896,17 13.091,18 1,19 2,20 1.895,21 1.919,22 3.927,23 8.814,24 11.225,25 2,26 20,27 8.776,28 3.953,29 1.877,30 5.186,31 3.469,32 0.317,33 0.149,34 3.896,35 0.067,36 1.851,37 3.877,38 1.537,39 4.894,40 1.315,41 2,42 3.451,43 1.502,44 0.533,45 1.264,46 10.703,47 6.854,48 8,49 8.251,50 1.079,51 0.03,52 2.005,53 4.595,54 1.568,55 2.641,56 9.571,57 8.605,58 3.938,59 52.412,60 0.013,61 0.006,62 4.038,63 0.267,64 49,65 4.918,66 0.821,68 1.649,69 37.305,70 4.699,71 6.7}
{0 CHEMBL1987793,7 19.957,10 1,11 1,12 16.602,14 1.053,15 4.513,16 1.97,17 15.707,19 8,20 2.006,21 1.989,22 4.073,23 11.62,24 18.094,26 25,27 11.13,28 4.09,29 2.005,30 6.811,31 3.468,32 2.362,33 2.965,34 4.028,35 3.635,36 2.005,37 4.026,38 1.663,39 5.098,40 2.873,41 3,42 3.466,43 1.536,44 0.683,45 1.555,46 19.194,47 8.946,48 7,49 10.792,50 1.219,51 4.335,52 2.06,53 4.8,54 1.637,55 3.556,56 17.861,57 11.072,58 4.153,59 64.109,60 5.05,61 5.77,62 4.251,63 -0.472,64 62,65 5.176,66 1.045,67 1,68 1.867,69 30.575,70 4.918,71 5}
{0 CHEMBL1987910,1 1,7 52.828,10 4,11 4,12 9.426,14 0.641,15 3.635,16 1.878,17 8.464,18 5,19 8,20 1.915,21 1.903,22 3.949,23 6.807,24 9.486,25 1,26 15,27 5.456,28 3.979,29 1.915,30 3.674,31 3.226,32 5.464,33 8.065,34 3.861,35 10.736,36 1.869,37 3.864,38 1.407,39 4.776,40 5.335,41 3,42 3.237,43 1.536,44 0.261,45 1.211,46 7.632,47 7.014,48 3,49 8.524,50 0.989,51 13.417,52 2.002,53 4.55,54 1.424,55 2.404,56 7.716,57 8.719,58 3.945,59 51.048,60 16.1,61 18.783,62 4.047,63 1.664,64 48,65 4.89,66 0.821,68 1.459,69 20.386,70 4.618,71 6.1}
{0 CHEMBL1987948,1 1,2 1,3 2,4 -0.011,6 4,7 58.747,8 2,9 1,10 3,11 3,12 14.001,14 0.844,15 3.772,16 1.857,17 13.083,18 6,19 6,20 1.91,21 1.885,22 4.004,23 10.062,24 12.415,25 1,26 21,27 11.204,28 4.013,29 1.914,30 5.311,31 3.599,32 0.05,33 0.008,34 3.946,35 0.001,36 1.79,37 3.84,38 1.658,39 5.106,40 0.8,41 3,42 3.593,43 1.554,44 0.757,45 1.48,46 12.362,47 7.232,48 5,49 8.764,50 0.988,52 1.999,53 4.749,54 1.605,55 2.901,56 10.445,57 9.151,58 4.015,59 55.594,62 4.129,63 1.023,64 52,65 5.099,66 0.951,67 1,68 1.623,69 35.593,70 4.878,71 7.7}
{0 CHEMBL1987982,2 1,6 2,7 41.542,10 2,11 2,12 11.885,13 1,14 0.705,15 3.783,16 1.816,17 11.488,18 5,19 4,20 1.878,21 1.849,22 3.893,23 7.991,24 11.844,26 17,27 7.033,28 3.918,29 1.885,30 4.493,31 3.237,32 5.635,33 8.373,34 3.817,35 11.156,36 1.871,37 3.818,38 1.416,39 4.807,40 5.542,41 3,42 3.25,43 1.519,44 0.359,45 1.23,46 10.265,47 6.663,48 3,49 8.124,50 0.98,51 13.943,52 1.992,53 4.594,54 1.382,55 2.545,56 8.043,57 8.224,58 3.891,59 48.962,60 16.732,61 19.52,62 3.997,63 0.251,64 46,65 4.843,66 0.821,68 1.591,69 20.175,70 4.611,71 5}
{0 CHEMBL1987998,4 -0.248,7 14.034,8 1,10 1,11 1,12 11.254,14 0.643,15 3.777,16 1.862,17 10.594,18 1,19 5,20 1.91,21 1.893,22 3.893,23 7.842,24 9.686,26 18,27 7.55,28 3.928,29 1.902,30 4.732,31 3.092,32 3.74,33 5.23,34 3.825,35 6.856,36 1.908,37 3.817,38 1.225,39 4.727,40 3.925,41 3,42 3.105,43 1.504,44 0.325,45 1.181,46 8.738,47 5.976,48 6,49 7.257,50 1.095,51 8.527,52 2.008,53 4.47,54 1.333,55 2.337,56 6.548,57 7.455,58 3.814,59 45.807,60 10.216,61 11.912,62 3.909,63 -0.326,64 43,65 4.848,66 0.808,68 1.468,69 30.139,70 4.551,71 5.4}
{0 CHEMBL1988075,1 2,7 65.698,10 4,11 4,12 13.202,14 0.911,15 4.079,16 1.879,17 10.646,18 5,19 11,20 1.973,21 1.904,22 3.925,23 9.122,24 13.182,25 2,26 20,27 8.439,28 3.959,29 1.967,30 5.001,31 3.712,32 2.415,33 3.244,34 3.834,35 4.156,36 1.976,37 3.837,38 1.71,39 4.966,40 2.912,41 4,42 3.7,43 1.531,44 0.536,45 1.417,46 10.68,47 8.408,48 4,49 10.129,50 1.045,51 5.111,52 2.009,53 4.7,54 1.562,55 3.005,56 12.711,57 10.467,58 4.108,59 60.282,60 6.091,61 7.083,62 4.216,63 1.516,64 58,65 5.042,66 0.839,67 1,68 1.802,69 27.096,70 4.8,71 6}
{0 CHEMBL1988076,1 1,7 62.593,10 2,11 2,12 12.257,14 0.919,15 4.314,16 1.889,17 12.388,18 5,19 7,20 1.974,21 1.919,22 3.941,23 9.621,24 12.711,25 1,26 22,27 9.451,28 3.975,29 1.964,30 5.557,31 3.78,32 1.27,33 1.34,34 3.869,35 1.423,36 1.992,37 3.862,38 1.766,39 5.052,40 2.117,41 5,42 3.764,43 1.534,44 0.603,45 1.552,46 12.316,47 9.436,48 6,49 11.343,50 1.068,51 1.51,52 2.026,53 4.804,54 1.668,55 3.407,56 14.486,57 11.7,58 4.198,59 65.441,60 1.599,61 1.69,62 4.305,63 0.135,64 64,65 5.118,66 1.129,67 1,68 1.849,69 26.288,70 4.874,71 5.4}
{0 CHEMBL1988141,2 1,7 58.928,10 3,11 3,12 9.421,13 1,14 0.825,15 3.68,16 1.654,17 9.84,18 5,20 1.801,21 1.726,22 3.774,23 7.791,24 8.418,26 19,27 8.65,28 3.844,29 1.785,30 4.631,31 3.023,32 3.083,33 4.117,34 3.571,35 5.283,36 1.841,37 3.583,38 1.153,39 4.798,40 3.306,41 2,42 3.049,43 1.548,44 0.267,45 1.194,46 8.714,47 5.389,48 3,49 6.497,50 0.999,51 6.514,52 1.946,53 4.487,54 1.4,55 2.453,56 5.264,57 6.632,58 3.752,59 44.445,60 7.776,61 9.053,62 3.883,63 1.152,64 40,65 4.766,66 0.586,68 1.513,69 22.648,70 4.568,71 6}
{0 CHEMBL1988153,1 2,7 44.72,12 4.818,14 0.691,15 3.173,16 1.802,17 4.76,19 1,20 1.703,21 1.821,22 3.913,23 4.538,24 4.685,25 2,26 10,27 2.443,28 3.934,29 1.716,30 2.658,31 3.185,32 5.425,33 8.058,34 3.837,35 10.734,36 1.697,37 3.837,38 1.409,39 4.449,40 5.335,41 3,42 3.168,43 1.53,44 0.218,45 1.148,46 4.78,47 5.853,48 3,49 7.145,50 0.751,51 13.416,52 1.91,53 4.372,54 1.328,55 2.019,56 4.444,57 7.326,58 3.767,59 40.929,60 16.1,61 18.783,62 3.834,63 -0.646,64 39,65 4.531,66 0.788,68 1.458,69 12.599,70 4.346,71 5}
{0 CHEMBL1988163,1 1,7 32.572,10 3,11 3,12 8.086,14 0.619,15 3.592,16 1.886,17 8.132,18 2,19 6,20 1.9,21 1.917,22 4.045,23 6.451,24 7.936,25 1,26 15,27 8.513,28 4.029,29 1.904,30 3.584,31 3.549,32 0.05,33 0.008,34 3.986,35 0.001,36 1.837,37 3.947,38 1.459,39 4.721,40 0.8,41 3,42 3.477,43 1.535,44 0.273,45 1.228,46 6.884,47 6.277,48 4,49 7.557,50 0.917,52 2.029,53 4.453,54 1.599,55 2.168,56 5.894,57 7.829,58 3.854,59 45.906,62 3.953,63 1.012,64 44,65 4.747,66 0.742,67 2,68 1.564,69 19.635,70 4.548,71 5.5}
{0 CHEMBL1988173,7 62.612,10 4,11 4,12 12.143,14 0.596,15 3.904,16 1.886,17 12.025,18 4,19 5,20 1.926,21 1.91,22 3.929,23 8.543,24 12.738,26 20,27 7.917,28 3.956,29 1.905,30 4.95,31 3.395,32 4.163,33 5.772,34 3.874,35 7.528,36 1.961,37 3.866,38 1.426,39 4.898,40 4.129,41 3,42 3.366,43 1.554,44 0.352,45 1.3,46 12.197,47 7.143,48 5,49 8.563,50 1.01,51 9.346,52 2.005,53 4.572,54 1.461,55 2.648,56 10.542,57 8.867,58 3.981,59 54.515,60 11.189,61 13.043,62 4.091,63 1.629,64 51,65 5.014,66 0.821,68 1.536,69 28.582,70 4.739,71 5}
{0 CHEMBL1988300,1 1,7 30.305,10 5,11 5,12 10.882,14 0.713,15 3.982,16 1.881,17 9.504,18 5,19 6,20 1.944,21 1.91,22 4.066,23 7.65,24 11.337,25 1,26 17,27 7.664,28 4.092,29 1.939,30 4.131,31 3.447,34 3.97,36 1.912,37 3.98,38 1.546,39 4.764,41 3,42 3.433,43 1.512,44 0.3,45 1.28,46 8.561,47 7.102,48 3,49 8.569,50 1.041,52 2.011,53 4.507,54 1.487,55 2.481,56 9.225,57 8.843,58 3.936,59 49.903,62 4.051,63 2.432,64 49,65 4.84,66 0.876,68 1.655,69 23.863,70 4.591,71 5}
{0 CHEMBL1988370,3 1,4 1.244,6 9,7 36.405,8 2,10 2,11 2,12 20.604,14 1.118,15 4.612,16 1.898,17 19.39,18 1,19 11,20 1.986,21 1.944,22 3.923,23 14.337,24 19.528,25 1,26 31,27 14.508,28 3.966,29 1.977,30 8.283,31 3.705,32 1.603,33 1.778,34 3.848,35 1.991,36 2.002,37 3.844,38 1.729,39 5.323,40 2.302,41 5,42 3.711,43 1.503,44 0.863,45 1.709,46 19.726,47 9.873,48 7,49 11.979,50 1.16,51 2.225,52 2.036,53 5.021,54 1.793,55 4.133,56 17.927,57 12.217,58 4.275,59 73.099,60 2.473,61 2.73,62 4.404,63 0.118,64 70,65 5.396,66 1.129,67 1,68 1.86,69 39.161,70 5.093,71 5.8}
{0 CHEMBL1988387,1 2,4 -2.905,7 66.066,8 1,10 4,11 4,12 13.12,14 0.777,15 3.965,16 1.858,17 10.293,18 5,19 6,20 1.932,21 1.882,22 3.932,23 8.473,24 13.398,25 3,26 20,27 8.063,28 3.969,29 1.93,30 4.884,31 3.655,32 4.213,33 5.912,34 3.835,35 7.754,36 1.893,37 3.838,38 1.508,39 4.954,40 4.131,41 4,42 3.66,43 1.539,44 0.481,45 1.4,46 10.572,47 8.556,48 5,49 10.34,50 1.054,51 9.651,52 1.991,53 4.789,54 1.592,55 2.974,56 11.629,57 10.622,58 4.166,59 63.33,60 11.567,61 13.49,62 4.272,63 1.55,64 60,65 5.074,66 1.021,67 3,68 1.722,69 26.114,70 4.798,71 6.9}
{0 CHEMBL1988437,1 1,7 48.622,10 2,11 2,12 9.532,14 0.691,15 3.938,16 1.86,17 10.629,18 3,19 6,20 1.933,21 1.883,22 3.914,23 7.766,24 10.076,25 1,26 18,27 7.861,28 3.935,29 1.928,30 4.667,31 3.386,32 5.043,33 7.187,34 3.861,35 9.348,36 1.936,37 3.851,38 1.509,39 4.752,40 5.9,41 3,42 3.366,43 1.59,44 0.324,45 1.297,46 10.807,47 7.093,48 5,49 8.494,50 0.976,51 11.511,52 1.983,53 4.525,54 1.683,55 2.606,56 8.636,57 8.792,58 3.933,59 51.029,60 13.675,61 15.838,62 4.041,63 0.212,64 49,65 4.747,66 0.898,68 1.681,69 24.376,70 4.58,71 5.3}
{0 CHEMBL1988537,1 2,7 21.219,12 7.426,14 0.577,15 3.495,16 1.852,17 7.305,19 4,20 1.824,21 1.87,22 3.883,23 5.443,24 7.971,25 2,26 13,27 4.201,28 3.901,29 1.82,30 3.307,31 3.132,32 5.057,33 7.189,34 3.824,35 9.348,36 1.784,37 3.818,38 1.251,39 4.567,40 5.9,41 2,42 3.167,43 1.648,44 0.218,45 1.181,46 8.302,47 6.028,48 2,49 7.286,50 0.884,51 11.511,52 1.962,53 4.354,54 1.326,55 2.125,56 7.2,57 7.583,58 3.771,59 41.771,60 13.675,61 15.838,62 3.845,63 -0.751,64 41,65 4.615,66 0.782,68 1.573,69 18.975,70 4.452,71 5.9}
{0 CHEMBL1988581,5 1,6 3,7 33.965,10 1,11 1,12 9.009,14 0.476,15 3.387,16 1.574,17 7.203,18 1,20 1.658,21 1.624,22 3.661,23 5.797,24 6.401,26 15,27 6.82,28 3.727,29 1.636,30 3.642,31 2.922,32 2.018,33 2.189,34 3.51,35 2.445,36 1.692,37 3.516,38 1.075,39 4.406,40 2.39,41 1,42 2.947,43 1.584,44 0.289,45 1.242,46 6.386,47 4.219,48 2,49 4.977,50 0.77,51 2.759,52 1.842,53 4.288,54 1.308,55 1.719,56 3.853,57 5.236,58 3.566,59 36.405,60 3.115,61 3.501,62 3.692,63 -0.198,64 33,65 4.694,66 0.257,68 1.417,69 20.319,70 4.245,71 6.8}
{0 CHEMBL1988594,7 62.968,10 5,11 5,12 8.831,14 0.619,15 3.732,16 1.848,17 7.978,18 8,19 6,20 1.927,21 1.878,22 3.935,23 6.728,24 8.389,25 1,26 16,27 6.721,28 3.97,29 1.945,30 3.643,31 3.216,32 2.617,33 3.348,34 3.849,35 4.204,36 1.839,37 3.848,38 1.471,39 4.766,40 2.912,41 3,42 3.261,43 1.544,44 0.22,45 1.181,46 6.243,47 6.943,48 4,49 8.352,50 0.949,51 5.132,52 1.985,53 4.501,54 1.508,55 2.372,56 7.368,57 8.578,58 3.939,59 50.405,60 6.1,61 7.087,62 4.052,63 2.494,64 48,65 4.816,66 0.821,67 2,68 1.48,69 22.594,70 4.594,71 5}
{0 CHEMBL1988608,1 1,7 88.223,10 4,11 4,12 9.612,14 0.726,15 3.829,16 1.889,17 8.033,18 5,19 6,20 1.864,21 1.916,22 3.959,23 6.831,24 7.995,25 1,26 17,27 7.509,28 3.992,29 1.89,30 4.092,31 3.301,32 2.96,33 4.048,34 3.873,35 5.252,36 1.795,37 3.875,38 1.453,39 4.726,40 3.306,41 3,42 3.324,43 1.544,44 0.407,45 1.42,46 8.459,47 6.842,48 4,49 8.248,50 0.906,51 6.502,52 2.014,53 4.513,54 1.589,55 2.467,56 8.337,57 8.446,58 3.942,59 50.611,60 7.771,61 9.051,62 4.049,63 1.698,64 48,65 4.801,66 0.828,68 1.705,69 20.233,70 4.56,71 7.5}
{0 CHEMBL1988692,2 1,3 1,4 0.215,5 1,6 6,7 86.998,8 1,10 3,11 3,12 9.133,13 1,14 0.469,15 3.628,16 1.697,17 8.48,18 8,19 2,20 1.793,21 1.734,22 3.845,23 7.082,24 6.932,26 16,27 7.349,28 3.896,29 1.793,30 4.038,31 3.234,32 1.219,33 1.115,34 3.677,35 1.046,36 1.775,37 3.701,38 1.259,39 4.615,40 1.96,41 2,42 3.244,43 1.561,44 0.296,45 1.28,46 6.545,47 5.291,48 3,49 6.287,50 0.89,51 0.996,52 1.912,53 4.366,54 1.432,55 2.163,56 4.694,57 6.498,58 3.693,59 40.694,60 0.957,61 0.926,62 3.829,63 1.103,64 38,65 4.662,66 0.701,68 1.417,69 18.743,70 4.395,71 5.4}
{0 CHEMBL1988717,1 3,7 77.907,10 4,11 4,12 11.715,14 0.79,15 3.991,16 1.877,17 9.659,18 5,19 10,20 1.897,21 1.903,22 3.954,23 7.807,24 10.127,25 3,26 19,27 7.531,28 3.988,29 1.913,30 4.535,31 3.599,32 5.464,33 8.065,34 3.857,35 10.736,36 1.836,37 3.864,38 1.592,39 4.994,40 5.335,41 4,42 3.632,43 1.548,44 0.35,45 1.39,46 9.62,47 8.481,48 4,49 10.263,50 0.968,51 13.417,52 2.008,53 4.807,54 1.676,55 2.936,56 9.215,57 10.427,58 4.158,59 63.121,60 16.1,61 18.783,62 4.281,63 1.578,64 59,65 5.146,66 1.019,67 4,68 1.737,69 25.858,70 4.823,71 5}
{0 CHEMBL1988805,1 1,7 46.55,10 2,11 2,12 2.761,14 0.172,15 2.888,16 1.456,17 2.839,20 1.516,21 1.502,22 3.744,23 2.765,24 2.887,25 1,26 7,27 2.401,28 3.767,29 1.497,30 1.427,31 2.884,32 3.563,33 4.962,34 3.738,35 6.378,36 1.468,37 3.663,38 1.184,39 4.042,40 4.069,41 2,42 2.898,43 1.64,45 0.898,46 3.54,47 3.903,48 1,49 4.713,50 0.51,51 7.797,52 1.717,53 3.89,54 1.186,55 1.278,56 1.222,57 4.88,58 3.349,59 26.827,60 9.217,61 10.638,62 3.454,63 0.526,64 26,65 4.047,66 0.054,67 1,68 1.198,69 6.64,70 3.876,71 5.4}
{0 CHEMBL1988838,1 1,7 93.283,10 6,11 6,12 10.399,14 0.716,15 3.813,16 1.871,17 9.356,18 5,19 6,20 1.902,21 1.897,22 3.95,23 8.416,24 10.748,25 1,26 20,27 11.113,28 3.973,29 1.907,30 4.674,31 3.535,32 3.237,33 4.451,34 3.848,35 5.756,36 1.867,37 3.851,38 1.456,39 4.879,40 3.615,41 3,42 3.465,43 1.543,44 0.398,45 1.276,46 9.309,47 6.981,48 8,49 8.36,50 0.947,51 7.101,52 2.015,53 4.642,54 1.681,55 2.501,56 9.551,57 8.701,58 4.031,59 56.654,60 8.466,61 9.844,62 4.141,63 3.356,64 52,65 4.978,66 0.821,67 2,68 1.635,69 26.912,70 4.719,71 6.3}
{0 CHEMBL1988872,7 34.674,10 5,11 5,12 8.629,14 0.376,15 3.392,16 1.863,17 7.098,18 9,20 1.839,21 1.876,22 4.003,23 6.635,24 8.532,26 15,27 9.127,28 3.999,29 1.78,30 3.571,31 3.209,32 0.05,33 0.008,34 3.947,35 0.001,36 1.606,37 3.873,38 1.351,39 4.633,40 0.8,41 2,42 3.235,43 1.568,44 0.218,45 1.181,46 7.065,47 5.193,48 4,49 6.218,50 0.921,52 1.993,53 4.361,54 1.357,55 1.822,56 3.701,57 6.557,58 3.746,59 41.906,62 3.863,63 2.824,64 39,65 4.648,66 0.639,67 2,68 1.492,69 20.079,70 4.446,71 5.8}
{0 CHEMBL1988995,4 0.117,7 33.636,8 1,12 6.539,14 0.714,15 3.608,16 1.804,17 7.413,19 3,20 1.848,21 1.842,22 4.028,23 6.329,24 5.971,26 14,27 5.319,28 4.082,29 1.833,30 3.553,31 3.45,34 3.83,36 1.858,37 3.861,38 1.501,39 4.783,41 3,42 3.438,43 1.571,44 0.364,45 1.353,46 7.335,47 6.874,48 3,49 8.31,50 0.955,52 1.963,53 4.567,54 1.558,55 2.599,56 7.553,57 8.481,58 3.913,59 47.955,62 4.019,63 -0.671,64 46,65 4.844,66 0.805,68 1.615,69 19.074,70 4.6,71 5}
{0 CHEMBL1989029,3 1,4 -0.014,6 6,7 51.099,8 1,10 2,11 2,12 7.732,14 0.469,15 3.542,16 1.638,17 7.448,18 2,19 2,20 1.735,21 1.665,22 3.871,23 6.462,24 6.424,25 1,26 15,27 6.862,28 3.912,29 1.752,30 3.81,31 3.243,32 0.856,33 0.643,34 3.692,35 0.49,36 1.717,37 3.722,38 1.264,39 4.506,40 1.72,41 2,42 3.252,43 1.542,44 0.174,45 1.267,46 6.552,47 5.147,48 3,49 6.15,50 0.826,51 0.375,52 1.859,53 4.313,54 1.357,55 2.093,56 5.707,57 6.349,58 3.678,59 39.405,60 0.286,61 0.218,62 3.788,63 0.361,64 37,65 4.523,66 0.704,68 1.417,69 16.264,70 4.327,71 5}
{0 CHEMBL1989043,7 30.059,10 3,11 3,12 15.838,14 0.825,15 3.884,16 1.883,17 12.517,18 3,19 2,20 1.909,21 1.898,22 3.929,23 9.128,24 14.496,26 21,27 8.073,28 3.953,29 1.902,30 5.227,31 3.552,32 0.679,33 0.438,34 3.852,35 0.292,36 1.908,37 3.851,38 1.465,39 4.993,40 1.2,41 4,42 3.556,43 1.562,44 0.618,45 1.513,46 11.125,47 7.509,48 5,49 9.117,50 1.052,51 0.195,52 1.964,53 4.733,54 1.515,55 2.912,56 9.446,57 9.489,58 4.043,59 57.246,60 0.129,61 0.084,62 4.158,63 0.933,64 54,65 5.095,66 0.891,68 1.542,69 41.034,70 4.808,71 5.4}
{0 CHEMBL1989265,3 2,4 0.035,6 3,7 49.368,8 2,10 3,11 3,12 13.265,14 0.937,15 3.583,16 1.553,17 11.672,18 2,19 3,20 1.785,21 1.598,22 3.839,23 8.731,24 11.465,26 18,27 7.976,28 3.894,29 1.771,30 4.668,31 3.323,32 5.334,33 7.587,34 3.704,35 9.874,36 1.813,37 3.694,38 1.556,39 4.958,40 6.3,41 2,42 3.338,43 1.744,44 0.456,45 1.286,46 10.111,47 6.411,48 2,49 7.866,50 1.098,51 12.168,52 1.823,53 4.623,54 1.53,55 2.613,56 8.914,57 8.12,58 3.897,59 48.704,60 14.462,61 16.757,62 4.003,63 1.045,64 46,65 5.016,66 0.789,67 1,68 1.66,69 33.361,70 4.764,71 5}
{0 CHEMBL1989267,1 1,7 54.304,10 4,11 4,12 21.24,14 1.048,15 4.573,16 1.907,17 17.422,18 3,19 9,20 1.958,21 1.933,22 4.1,23 13.699,24 20.911,25 1,26 32,27 14.676,28 4.115,29 1.963,30 8.157,31 3.544,32 2.025,33 2.041,34 4.043,35 2.087,36 1.924,37 4.044,38 1.662,39 5.25,40 2.117,41 3,42 3.552,43 1.558,44 0.74,45 1.666,46 18.137,47 10.39,48 9,49 12.413,50 1.127,51 2.152,52 2.026,53 5.069,54 1.803,55 4.007,56 19.442,57 12.945,58 4.386,59 81.936,60 2.229,61 2.315,62 4.505,63 1.411,64 77,65 5.455,66 1.117,67 1,68 1.885,69 45.675,70 5.081,71 6.3}
{0 CHEMBL1989423,1 1,7 28.245,10 1,11 1,12 4.621,14 0.22,15 2.961,16 1.519,17 4.86,18 2,20 1.551,21 1.551,22 3.65,23 3.751,24 3.368,25 1,26 8,27 3.651,28 3.706,29 1.598,30 2.138,31 2.693,32 0.356,33 0.18,34 3.51,35 0.087,36 1.392,37 3.52,38 0.961,39 3.954,40 1.36,41 1,42 2.687,43 1.53,45 0.701,46 1.834,47 3.251,49 3.935,50 0.405,51 0.041,52 1.667,53 3.783,54 1.011,55 1.2,57 4.023,58 3.151,59 22.242,60 0.019,61 0.009,62 3.268,63 -0.244,64 22,65 3.972,68 1.197,69 8.923,70 3.766,71 4.3}
{0 CHEMBL1989471,1 1,4 0.439,7 37.667,8 1,10 1,11 1,12 10.561,14 0.504,15 3.714,16 1.785,17 9.246,18 2,19 4,20 1.731,21 1.818,22 3.817,23 7.547,24 9.219,25 1,26 16,27 7.226,28 3.854,29 1.7,30 4.314,31 2.999,34 3.745,36 1.779,37 3.742,38 1.161,39 4.556,41 1,42 2.997,43 1.531,44 0.346,45 1.277,46 7.229,47 5.153,48 1,49 6.114,50 0.903,52 1.941,53 4.328,54 1.308,55 2.218,56 4.936,57 6.41,58 3.647,59 39.112,62 3.76,63 -0.353,64 37,65 4.722,66 0.5,68 1.473,69 19.97,70 4.38,71 5.4}
{0 CHEMBL1989474,1 1,7 24.956,12 5.731,14 0.452,15 3.312,16 1.725,17 5.346,20 1.763,21 1.767,22 3.821,23 4.253,24 5.152,25 2,26 11,27 4.47,28 3.86,29 1.783,30 2.82,31 2.902,34 3.708,36 1.714,37 3.719,38 1.258,39 4.311,41 3,42 2.897,43 1.519,44 0.122,45 1.069,46 5.565,47 4.631,48 2,49 5.553,50 0.733,52 1.914,53 4.161,54 1.107,55 1.663,56 5.244,57 5.695,58 3.535,59 33.994,62 3.651,63 -0.724,64 32,65 4.324,66 0.434,68 1.371,69 11.557,70 4.128,71 5}
{0 CHEMBL1989518,1 4,7 75.785,10 2,11 2,12 7.312,14 0.445,15 3.535,16 1.746,17 7.532,20 1.766,21 1.779,22 3.816,23 5.777,24 6.468,25 4,26 15,27 6.745,28 3.854,29 1.756,30 3.742,31 3.119,32 0.739,33 0.593,34 3.701,35 0.469,36 1.767,37 3.71,38 1.241,39 4.427,40 1.72,41 2,42 3.119,43 1.421,44 0.114,45 1.14,46 6.039,47 4.647,48 5,49 5.546,50 0.894,51 0.366,52 1.916,53 4.203,54 1.163,55 1.808,56 4.578,57 5.661,58 3.58,59 37.196,60 0.283,61 0.217,62 3.706,63 0.374,64 34,65 4.346,66 0.466,68 1.437,69 13.587,70 4.212,71 6.2}
{0 CHEMBL1989646,7 32.127,10 3,11 3,12 8.962,14 0.626,15 3.82,16 1.882,17 8.429,18 3,19 9,20 1.756,21 1.912,22 3.958,23 7.042,24 8.787,26 16,27 7.422,28 4.011,29 1.76,30 4.054,31 3.158,32 0.138,33 0.039,34 3.859,35 0.011,36 1.752,37 3.858,38 1.351,39 4.638,40 1.043,41 3,42 3.177,43 1.522,44 0.342,45 1.26,46 7.788,47 5.931,48 3,49 7.115,50 0.879,51 0.003,52 2.013,53 4.435,54 1.49,55 2.206,56 6.348,57 7.31,58 3.796,59 44.066,60 0.001,62 3.934,63 1.032,64 42,65 4.8,66 0.7,67 4,68 1.492,69 20.27,70 4.443,71 6.2}
{0 CHEMBL1989708,1 2,3 1,4 -0.485,6 3,7 75.649,8 1,10 5,11 5,12 17.344,14 1.048,15 4.324,16 1.884,17 14.297,18 6,19 12,20 1.94,21 1.913,22 3.939,23 11.71,24 15.289,25 2,26 26,27 11.989,28 3.98,29 1.938,30 6.597,31 3.682,32 2.415,33 3.244,34 3.861,35 4.156,36 1.907,37 3.858,38 1.656,39 5.137,40 2.912,41 4,42 3.686,43 1.53,44 0.614,45 1.548,46 14.49,47 9.181,48 6,49 11.022,50 1.122,51 5.111,52 2.015,53 4.876,54 1.606,55 3.498,56 14.719,57 11.434,58 4.236,59 69.481,60 6.091,61 7.083,62 4.355,63 2.245,64 66,65 5.255,66 1.105,67 2,68 1.867,69 36.834,70 4.955,71 6.8}
{0 CHEMBL1989805,4 -0.878,7 99.978,8 1,10 4,11 4,12 6.488,14 0.593,15 3.438,16 1.635,17 6.044,18 2,19 3,20 1.603,21 1.642,22 3.899,23 5.077,24 8.133,26 12,27 4.374,28 3.904,29 1.597,30 2.625,31 3.375,32 5.556,33 7.712,34 3.765,35 9.943,36 1.63,37 3.779,38 1.414,39 4.596,40 6.301,41 3,42 3.362,43 1.716,44 0.287,45 1.348,46 5.964,47 6.179,48 3,49 7.529,50 0.667,51 12.205,52 1.741,53 4.369,54 1.549,55 2.068,56 6.202,57 7.707,58 3.828,59 43.412,60 14.482,61 16.768,62 3.907,63 1.771,64 42,65 4.699,66 0.876,67 1,68 1.56,69 16.232,70 4.486,71 5}
{0 CHEMBL1989834,7 18.807,10 2,11 2,12 5.626,14 0.237,15 3.205,16 1.738,17 5.838,18 2,20 1.636,21 1.767,22 3.827,23 4.3,24 5.154,26 10,27 4.494,28 3.864,29 1.704,30 2.531,31 2.903,34 3.745,36 1.459,37 3.744,38 0.966,39 4.205,41 2,42 2.897,43 1.508,44 0.106,45 1.096,46 4.839,47 4.103,48 1,49 4.935,50 0.415,52 1.867,53 3.942,54 1.107,55 1.463,56 1.859,57 5.03,58 3.397,59 28.867,62 3.501,63 0.39,64 28,65 4.179,68 1.181,69 10.221,70 4.031,71 4.8}
{0 CHEMBL1989856,7 45.03,10 1,11 1,12 5.086,14 0.265,15 3.164,16 1.838,17 4.441,18 1,20 1.494,21 1.863,22 3.767,23 3.905,24 4.16,25 1,26 9,27 3.492,28 3.791,29 1.486,30 2.141,31 3.085,32 3.563,33 4.962,34 3.703,35 6.378,36 1.508,37 3.702,38 1.206,39 4.267,40 4.069,41 1,42 3.104,43 1.729,44 0.127,45 1.117,46 4.304,47 4.514,48 1,49 5.441,50 0.58,51 7.797,52 1.957,53 4.052,54 1.217,55 1.614,56 3.175,57 5.591,58 3.478,59 31.159,60 9.217,61 10.638,62 3.563,63 -0.249,64 30,65 4.426,66 0.399,68 1.329,69 10.685,70 4.14,71 5}
{0 CHEMBL1989957,1 1,7 11.153,10 2,11 2,12 9.304,14 0.558,15 3.764,16 1.824,17 9.531,18 1,20 1.782,21 1.853,22 3.851,23 6.971,24 8.865,25 1,26 16,27 7.251,28 3.884,29 1.777,30 4.198,31 3.186,32 0.05,33 0.008,34 3.788,35 0.001,36 1.78,37 3.783,38 1.311,39 4.608,40 0.8,41 2,42 3.186,43 1.478,44 0.218,45 1.181,46 7.964,47 5.377,48 4,49 6.469,50 0.988,52 1.955,53 4.303,54 1.224,55 2.085,56 5.879,57 6.608,58 3.676,59 40.112,62 3.791,63 0.262,64 38,65 4.574,66 0.61,68 1.488,69 16.634,70 4.394,71 5}
{0 CHEMBL1990162,7 76.844,10 2,11 2,12 9.914,14 0.76,15 4.065,16 1.892,17 9.904,18 3,19 16,20 1.985,21 1.916,22 3.95,23 7.166,24 8.383,26 17,27 7.096,28 4.002,29 1.979,30 4.245,31 3.567,32 3.636,33 4.982,34 3.868,35 6.383,36 1.996,37 3.868,38 1.467,39 4.888,40 4.069,41 4,42 3.606,43 1.593,44 0.431,45 1.338,46 7.406,47 7.996,48 5,49 9.63,50 1.081,51 7.798,52 2.017,53 4.619,54 1.67,55 2.808,56 8.147,57 9.814,58 4.025,59 54.774,60 9.218,61 10.638,62 4.139,63 0.208,64 53,65 4.982,66 0.821,67 5,68 1.618,69 22.821,70 4.708,71 7.3}
{0 CHEMBL1990212,7 23.218,10 1,11 1,12 7.645,14 0.584,15 3.682,16 1.86,17 7.349,18 2,19 4,20 1.898,21 1.877,22 3.919,23 6.358,24 8.855,26 16,27 6.266,28 3.933,29 1.909,30 3.92,31 3.151,32 1.175,33 0.966,34 3.835,35 0.788,36 1.845,37 3.84,38 1.231,39 4.67,40 1.72,41 3,42 3.179,43 1.526,44 0.372,45 1.287,46 7.722,47 6.494,48 5,49 7.783,50 0.915,51 0.634,52 1.978,53 4.517,54 1.493,55 2.317,56 9.039,57 8.024,58 3.904,59 48.346,60 0.504,61 0.395,62 4.008,63 -0.272,64 46,65 4.743,66 0.821,68 1.587,69 19.158,70 4.516,71 5}
{0 CHEMBL1990223,4 -0.228,7 22.859,8 1,10 1,11 1,12 12.854,14 0.64,15 3.822,16 1.868,17 11.234,18 1,19 6,20 1.93,21 1.887,22 3.904,23 8.519,24 11.6,26 19,27 7.326,28 3.926,29 1.917,30 4.977,31 3.132,32 3.74,33 5.23,34 3.853,35 6.856,36 1.937,37 3.843,38 1.246,39 4.779,40 3.925,41 3,42 3.138,43 1.542,44 0.523,45 1.319,46 10.081,47 6.339,48 6,49 7.697,50 1.123,51 8.527,52 1.985,53 4.552,54 1.423,55 2.519,56 8.114,57 8.001,58 3.882,59 49.167,60 10.216,61 11.912,62 3.974,63 -0.317,64 46,65 4.95,66 0.809,68 1.545,69 31.022,70 4.625,71 5.5}
{0 CHEMBL1990254,1 2,3 1,4 -0.196,7 71.108,8 1,10 3,11 3,12 11.392,14 0.837,15 3.998,16 1.89,17 11.514,18 2,19 9,20 1.849,21 1.919,22 3.918,23 8.256,24 11.862,25 2,26 19,27 8.459,28 3.951,29 1.851,30 4.934,31 3.329,32 1.343,33 1.438,34 3.856,35 1.555,36 1.839,37 3.85,38 1.481,39 4.795,40 2.162,41 3,42 3.335,43 1.498,44 0.218,45 1.181,46 11.006,47 6.35,48 5,49 7.61,50 0.876,51 1.679,52 2.022,53 4.464,54 1.382,55 2.418,56 7.786,57 7.778,58 3.839,59 48.026,60 1.807,61 1.939,62 3.964,63 0.915,64 45,65 4.84,66 0.821,68 1.717,69 22.166,70 4.584,71 8.3}
{0 CHEMBL1990288,1 1,3 1,4 0.039,6 3,7 30.55,8 1,10 1,11 1,12 10.023,14 0.83,15 3.973,16 1.886,17 10.196,18 2,19 4,20 1.913,21 1.912,22 3.936,23 7.782,24 10.514,25 1,26 18,27 7.618,28 3.974,29 1.926,30 4.552,31 3.576,32 0.317,33 0.149,34 3.863,35 0.067,36 1.857,37 3.858,38 1.499,39 4.894,40 1.315,41 4,42 3.609,43 1.517,44 0.323,45 1.351,46 10.48,47 7.648,48 5,49 9.228,50 0.913,51 0.03,52 2.002,53 4.642,54 1.623,55 2.838,56 9.766,57 9.41,58 4.007,59 53.947,60 0.013,61 0.006,62 4.115,63 -0.349,64 52,65 4.912,66 0.821,67 1,68 1.716,69 21.163,70 4.698,71 5}
{0 CHEMBL1990346,7 21.135,10 3,11 3,12 6.069,14 0.228,15 3.188,16 1.742,17 5.957,18 2,19 1,20 1.693,21 1.765,22 3.834,23 4.342,24 5.438,26 10,27 2.283,28 3.864,29 1.745,30 2.348,31 2.984,34 3.781,36 1.543,37 3.766,38 0.985,39 4.241,41 2,42 2.941,43 1.534,44 0.092,45 1.021,46 5.7,47 4.212,48 1,49 5.087,50 0.452,52 1.851,53 3.99,54 1.107,55 1.476,56 2.627,57 5.249,58 3.43,59 29.997,62 3.547,63 1.193,64 29,65 4.254,66 0.275,68 1.181,69 16.607,70 4.07,71 6.1}
{0 CHEMBL1990415,1 2,7 57.241,10 2,11 2,12 5.446,14 0.341,15 3.444,16 1.812,17 5.894,18 3,19 4,20 1.709,21 1.844,22 3.888,23 4.383,24 5.058,25 2,26 11,27 4.523,28 3.922,29 1.748,30 2.597,31 3.008,32 1.255,33 1.338,34 3.779,35 1.422,36 1.657,37 3.788,38 1.327,39 4.471,40 2.117,41 2,42 3.051,43 1.55,44 0.218,45 1.181,46 3.722,47 5.44,48 2,49 6.567,50 0.771,51 1.51,52 1.971,53 4.233,54 1.277,55 1.868,56 4.102,57 6.67,58 3.654,59 36.947,60 1.599,61 1.69,62 3.766,63 0.348,64 36,65 4.476,66 0.682,67 1,68 1.438,69 13.05,70 4.297,71 5}
{0 CHEMBL1990482,1 2,7 72.25,10 3,11 3,12 4.649,14 0.218,15 3.19,16 1.812,17 4.996,18 3,20 1.578,21 1.847,22 3.817,23 4.063,24 4.774,25 2,26 10,27 4.267,28 3.856,29 1.618,30 2.295,31 3.047,32 1.045,33 1.019,34 3.725,35 0.993,36 1.463,37 3.728,38 1.103,39 4.263,40 1.96,41 2,42 3.069,43 1.549,44 0.071,45 1.09,46 4.207,47 4.38,48 2,49 5.28,50 0.416,51 0.967,52 1.969,53 4.042,54 1.128,55 1.511,56 3.17,57 5.372,58 3.476,59 31.448,60 0.942,61 0.917,62 3.594,63 1.197,64 30,65 4.28,66 0.294,68 1.303,69 10.738,70 4.091,71 6.4}
{0 CHEMBL1990496,1 2,2 1,3 1,4 -0.126,6 2,7 93.553,8 1,10 3,11 3,12 17.573,13 1,14 0.978,15 4.53,16 1.895,17 16.646,18 1,19 10,20 1.995,21 1.927,22 3.945,23 12.137,24 17.278,25 2,26 27,27 12.159,28 3.983,29 1.997,30 7.069,31 3.56,32 2.131,33 2.512,34 3.871,35 2.993,36 1.97,37 3.865,38 1.664,39 5.193,40 2.522,41 4,42 3.58,43 1.527,44 0.7,45 1.631,46 17.249,47 9.36,48 7,49 11.235,50 1.058,51 3.544,52 2.04,53 4.883,54 1.757,55 3.589,56 19.997,57 11.532,58 4.217,59 69.268,60 4.142,61 4.769,62 4.341,63 0.735,64 66,65 5.319,66 0.996,67 2,68 1.83,69 35.801,70 4.992,71 5.3}
{0 CHEMBL1990583,7 63.815,10 5,11 5,12 8.719,14 0.702,15 3.741,16 1.843,17 7.656,18 7,19 4,20 1.966,21 1.871,22 3.944,23 6.396,24 7.879,25 1,26 16,27 6.625,28 3.981,29 1.97,30 3.578,31 3.21,32 2.617,33 3.348,34 3.841,35 4.204,36 1.837,37 3.848,38 1.549,39 4.839,40 2.912,41 3,42 3.259,43 1.552,44 0.226,45 1.245,46 6.804,47 7.087,48 4,49 8.548,50 0.911,51 5.132,52 1.99,53 4.555,54 1.534,55 2.41,56 7.393,57 8.655,58 3.974,59 52.323,60 6.1,61 7.087,62 4.098,63 2.485,64 49,65 4.869,66 0.812,67 2,68 1.669,69 19.96,70 4.657,71 7.4}
{0 CHEMBL1990821,6 2,7 61.748,10 2,11 2,12 19.52,14 1.006,15 4.594,16 1.929,17 16.923,18 3,19 12,20 1.925,21 1.95,22 3.965,23 13.698,24 21.028,26 29,27 13.04,28 3.988,29 1.907,30 7.886,31 3.466,32 2.362,33 2.965,34 3.904,35 3.635,36 1.959,37 3.902,38 1.678,39 5.094,40 2.873,41 3,42 3.457,43 1.55,44 0.728,45 1.584,46 20.978,47 8.763,48 7,49 10.456,50 1.197,51 4.335,52 2.048,53 4.871,54 1.648,55 3.751,56 15.85,57 10.921,58 4.181,59 67.939,60 5.05,61 5.77,62 4.291,63 0.084,64 64,65 5.294,66 1.103,67 1,68 1.856,69 36.205,70 4.923,71 5}
{0 CHEMBL1990884,7 75.294,10 5,11 5,12 11.662,14 0.721,15 3.934,16 1.924,17 9.888,18 4,19 9,20 1.89,21 1.943,22 4.007,23 8.758,24 10.774,26 19,27 8.295,28 4.027,29 1.902,30 4.7,31 3.268,32 1.063,33 1.022,34 3.942,35 0.993,36 1.87,37 3.947,38 1.356,39 4.823,40 1.96,41 3,42 3.297,43 1.567,44 0.35,45 1.396,46 11.164,47 7.148,48 4,49 8.575,50 0.954,51 0.967,52 2.034,53 4.601,54 1.505,55 2.657,56 7.402,57 8.845,58 3.99,59 54.073,60 0.942,61 0.917,62 4.105,63 2.425,64 51,65 5.009,66 0.9,68 1.641,69 25.262,70 4.675,71 5.8}
{0 CHEMBL1990885,6 6,7 99.655,10 3,11 3,12 16.456,14 0.919,15 4.223,16 1.705,17 13.974,18 8,19 5,20 1.836,21 1.744,22 3.94,23 11.698,24 16.832,26 27,27 12.112,28 3.971,29 1.84,30 6.881,31 3.343,32 1.868,33 1.93,34 3.839,35 2.01,36 1.845,37 3.85,38 1.637,39 5.08,40 2.117,41 2,42 3.357,43 1.565,44 0.869,45 1.697,46 15.545,47 7.849,48 7,49 9.393,50 1.005,51 2.099,52 1.965,53 4.852,54 1.657,55 3.655,56 12.854,57 9.741,58 4.101,59 63.734,60 2.193,61 2.291,62 4.238,63 0.891,64 58,65 5.196,66 0.935,67 1,68 1.792,69 32.841,70 4.864,71 5.6}
{0 CHEMBL1990904,1 3,4 0.73,6 1,7 44.731,8 1,10 1,11 1,12 8.475,14 0.825,15 3.896,16 1.805,17 9.562,18 1,19 1,20 1.892,21 1.85,22 3.919,23 7.326,24 8.373,25 3,26 17,27 7.338,28 3.977,29 1.915,30 4.341,31 3.583,32 0.05,33 0.008,34 3.805,35 0.001,36 1.82,37 3.795,38 1.454,39 4.831,40 0.8,41 4,42 3.607,43 1.525,44 0.413,45 1.338,46 8.946,47 7.147,48 5,49 8.678,50 0.984,52 1.982,53 4.588,54 1.429,55 2.722,56 9.739,57 8.798,58 3.926,59 49.821,62 4.047,63 -0.309,64 48,65 4.792,66 0.821,68 1.684,69 19.401,70 4.61,71 5}
{0 CHEMBL1990912,1 3,7 29.248,10 2,11 2,12 8.58,14 0.538,15 3.639,16 1.76,17 8.643,18 1,20 1.779,21 1.796,22 3.824,23 6.263,24 8.065,25 3,26 15,27 6.782,28 3.867,29 1.774,30 3.833,31 3.175,32 0.05,33 0.008,34 3.721,35 0.001,36 1.776,37 3.727,38 1.301,39 4.564,40 0.8,41 2,42 3.176,43 1.478,44 0.144,45 1.082,46 7.105,47 5.243,48 4,49 6.314,50 0.928,52 1.925,53 4.288,54 1.222,55 1.996,56 5.308,57 6.441,58 3.66,59 39.196,62 3.777,63 0.311,64 37,65 4.543,66 0.569,68 1.48,69 15.908,70 4.354,71 5}
{0 CHEMBL1991078,7 45.785,10 2,11 2,12 12.077,14 0.76,15 4.187,16 1.883,17 11.168,18 3,19 13,20 1.979,21 1.912,22 3.95,23 9.059,24 12.081,26 22,27 9.734,28 4.001,29 1.981,30 5.574,31 3.567,32 1.766,33 1.699,34 3.857,35 1.678,36 1.969,37 3.854,38 1.465,39 4.958,40 2.117,41 4,42 3.605,43 1.531,44 0.574,45 1.576,46 11.526,47 8.459,48 7,49 10.143,50 1.075,51 1.689,52 2.014,53 4.788,54 1.671,55 3.063,56 9.588,57 10.405,58 4.156,59 62.94,60 1.723,61 1.776,62 4.268,63 0.206,64 60,65 5.1,66 1.115,67 5,68 1.618,69 27.074,70 4.797,71 5.9}
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{0 CHEMBL1991188,1 2,3 1,4 -0.232,6 3,7 44.931,8 1,10 1,11 1,12 12.493,14 0.814,15 4.022,16 1.889,17 10.807,18 3,19 7,20 1.844,21 1.913,22 3.926,23 8.75,24 13.783,25 2,26 21,27 9.046,28 3.952,29 1.86,30 5.468,31 3.31,32 1.795,33 1.763,34 3.856,35 1.78,36 1.808,37 3.855,38 1.461,39 4.829,40 2.162,41 3,42 3.316,43 1.529,44 0.57,45 1.563,46 12.107,47 6.966,48 6,49 8.313,50 0.857,51 1.832,52 2.015,53 4.634,54 1.526,55 2.718,56 11.727,57 8.601,58 3.983,59 55.117,60 1.909,61 2.006,62 4.085,63 -0.358,64 51,65 4.957,66 0.804,68 1.718,69 24.72,70 4.668,71 7.7}
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{0 CHEMBL1991285,1 2,4 -0.194,6 1,7 108.954,8 2,10 3,11 3,12 12.742,14 0.755,15 3.85,16 1.715,17 12.274,18 2,19 4,20 1.843,21 1.763,22 3.887,23 9.181,24 9.757,25 2,26 20,27 8.045,28 3.929,29 1.831,30 4.893,31 3.212,32 4.421,33 5.855,34 3.791,35 7.374,36 1.849,37 3.782,38 1.629,39 5.026,40 4.376,41 3,42 3.254,43 1.612,44 0.501,45 1.343,46 9.344,47 7.417,48 6,49 8.966,50 1.128,51 8.941,52 1.925,53 4.693,54 1.585,55 2.932,56 11.661,57 9.193,58 4.022,59 56.595,60 10.541,61 12.165,62 4.126,63 0.966,64 52,65 5.101,66 0.883,68 1.828,69 36.559,70 4.837,71 5}
{0 CHEMBL1991356,7 19.91,10 1,11 1,12 8.394,14 0.615,15 3.677,16 1.892,17 7.815,18 1,19 5,20 1.633,21 1.911,22 3.885,23 6.002,24 9.159,26 14,27 6.097,28 3.908,29 1.646,30 3.599,31 3.039,32 1.527,33 1.53,34 3.816,35 1.557,36 1.61,37 3.816,38 1.382,39 4.56,40 2.117,41 2,42 3.073,43 1.58,44 0.238,45 1.2,46 7.18,47 5.621,48 2,49 6.769,50 0.695,51 1.603,52 1.997,53 4.333,54 1.473,55 2.035,56 5.795,57 6.941,58 3.716,59 39.907,60 1.663,61 1.734,62 3.814,63 -0.354,64 39,65 4.622,66 0.661,68 1.566,69 16.233,70 4.404,71 5}
{0 CHEMBL1991395,1 3,7 57.313,10 2,11 2,12 13.982,14 0.778,15 4,16 1.807,17 11.863,18 2,19 1,20 1.974,21 1.852,22 3.853,23 8.924,24 11.349,25 3,26 21,27 9.333,28 3.901,29 1.966,30 5.258,31 3.562,32 0.05,33 0.008,34 3.757,35 0.001,36 1.926,37 3.764,38 1.681,39 4.976,40 0.8,41 3,42 3.574,43 1.544,44 0.469,45 1.417,46 10.234,47 7.352,48 6,49 8.808,50 0.986,52 1.982,53 4.712,54 1.447,55 2.822,56 11.804,57 9.075,58 4.027,59 56.861,62 4.151,63 0.262,64 53,65 5.223,66 0.821,68 1.79,69 34.477,70 4.78,71 5}
{0 CHEMBL1991410,1 1,7 45.559,9 1,10 2,11 2,12 5.952,14 0.542,15 3.389,16 1.861,17 6.166,18 4,19 8,20 1.908,21 1.88,22 3.946,23 4.475,24 6.02,25 1,26 11,27 3.051,28 3.969,29 1.92,30 2.568,31 3.225,32 1.255,33 1.338,34 3.847,35 1.422,36 1.856,37 3.859,38 1.4,39 4.642,40 2.117,41 3,42 3.233,43 1.572,44 0.259,45 1.149,46 6.024,47 6.285,48 3,49 7.652,50 0.904,51 1.51,52 1.978,53 4.363,54 1.406,55 2.122,56 4.675,57 7.781,58 3.794,59 42.902,60 1.599,61 1.69,62 3.887,63 0.304,64 41,65 4.63,66 0.787,67 1,68 1.54,69 12.283,70 4.489,71 7.1}
{0 CHEMBL1991429,1 1,6 2,7 66.602,10 2,11 2,12 16.282,14 1.09,15 4.521,16 1.882,17 15.882,18 5,19 11,20 1.99,21 1.912,22 3.977,23 12.241,24 15.169,25 1,26 27,27 11.75,28 4.017,29 1.979,30 6.926,31 3.792,32 3.706,33 4.912,34 3.879,35 6.189,36 2,37 3.878,38 1.768,39 5.314,40 3.497,41 6,42 3.777,43 1.54,44 0.71,45 1.594,46 17.576,47 11.224,48 8,49 13.604,50 1.125,51 7.499,52 2.024,53 5.023,54 1.775,55 4.204,56 16.464,57 13.933,58 4.371,59 77.979,60 8.829,61 10.169,62 4.48,63 0.114,64 76,65 5.303,66 1.339,67 1,68 1.85,69 32.952,70 5.119,71 5}
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{0 CHEMBL1991577,1 2,3 1,4 0.687,6 4,7 73.164,8 2,10 2,11 2,12 12.461,14 0.825,15 3.918,16 1.817,17 12.482,19 4,20 1.846,21 1.857,22 3.866,23 9.306,24 11.5,25 2,26 21,27 9.641,28 3.916,29 1.858,30 5.501,31 3.27,32 0.418,33 0.171,34 3.759,35 0.065,36 1.821,37 3.752,38 1.434,39 4.927,40 1.2,41 3,42 3.256,43 1.525,44 0.628,45 1.397,46 9.712,47 6.329,48 3,49 7.613,50 0.959,51 0.024,52 1.99,53 4.56,54 1.429,55 2.867,56 8.824,57 7.785,58 3.85,59 48.651,60 0.009,61 0.003,62 3.971,63 0.304,64 45,65 4.924,66 0.667,67 1,68 1.677,69 24.586,70 4.675,71 6.4}
{0 CHEMBL1991640,3 1,4 -0.001,6 4,7 23.58,8 1,10 2,11 2,12 9.248,14 0.817,15 3.577,16 1.868,17 9.41,18 2,19 6,20 1.648,21 1.894,22 3.906,23 7.111,24 9.965,26 15,27 5.927,28 3.942,29 1.679,30 3.858,31 3.582,32 2.076,33 2.327,34 3.843,35 2.65,36 1.585,37 3.835,38 1.225,39 4.839,40 2.474,41 3,42 3.569,43 1.678,44 0.555,45 1.372,46 8.659,47 7.067,48 4,49 8.668,50 0.825,51 3.019,52 1.985,53 4.555,54 1.429,55 2.641,56 6.648,57 8.844,58 3.918,59 48.42,60 3.42,61 3.844,62 4.011,63 0.282,64 47,65 4.873,66 0.821,68 1.513,69 21.374,70 4.673,71 5}
{0 CHEMBL1991674,1 1,3 2,4 0.128,6 8,7 37.686,8 2,9 1,10 3,11 3,12 11.295,14 0.825,15 3.718,16 1.813,17 11.659,18 7,19 4,20 1.876,21 1.86,22 3.9,23 8.343,24 9.842,25 1,26 18,27 7.815,28 3.955,29 1.898,30 4.515,31 3.239,32 0.05,33 0.008,34 3.764,35 0.001,36 1.78,37 3.763,38 1.42,39 4.947,40 0.8,41 3,42 3.24,43 1.514,44 0.573,45 1.413,46 8.262,47 6.48,48 3,49 7.893,50 0.833,52 1.991,53 4.575,54 1.429,55 2.62,56 7.548,57 8.035,58 3.866,59 47.551,62 3.988,63 1.039,64 45,65 4.933,66 0.56,67 2,68 1.565,69 27.013,70 4.714,71 7.5}
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{0 CHEMBL1991725,1 4,3 1,4 -0.2,6 2,7 83.343,8 1,10 2,11 2,12 20.53,14 0.983,15 4.544,16 1.919,17 17.103,18 4,19 5,20 1.948,21 1.942,22 4.082,23 12.477,24 16.78,25 4,26 29,27 13.145,28 4.107,29 1.96,30 7.563,31 3.545,32 3.108,33 4.234,34 4.023,35 5.484,36 1.917,37 4.025,38 1.707,39 5.211,40 3.43,41 3,42 3.559,43 1.521,44 0.702,45 1.583,46 17.286,47 9.549,48 9,49 11.451,50 1.089,51 6.782,52 2.031,53 4.964,54 1.823,55 3.697,56 18.625,57 11.802,58 4.268,59 72.893,60 8.101,61 9.432,62 4.389,63 0.121,64 69,65 5.396,66 1.071,67 1,68 1.864,69 39.272,70 5.024,71 6.8}
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{0 CHEMBL1992536,1 1,7 61.387,10 3,11 3,12 8.579,14 0.621,15 3.749,16 1.882,17 7.683,18 2,19 6,20 1.857,21 1.905,22 3.95,23 6.137,24 8.385,25 1,26 16,27 7.132,28 3.977,29 1.883,30 3.91,31 3.165,32 1.148,33 0.879,34 3.862,35 0.668,36 1.789,37 3.865,38 1.31,39 4.603,40 1.72,41 3,42 3.188,43 1.532,44 0.407,45 1.375,46 6.573,47 6.359,48 4,49 7.664,50 0.901,51 0.505,52 2.003,53 4.447,54 1.552,55 2.258,56 7.241,57 7.843,58 3.881,59 47.113,60 0.378,61 0.281,62 3.978,63 0.974,64 45,65 4.708,66 0.821,68 1.58,69 18.274,70 4.45,71 6.3}
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{0 CHEMBL1995712,1 1,3 2,4 0.335,6 4,7 65.583,8 2,9 1,10 3,11 3,12 17.194,14 0.846,15 4.18,16 1.823,17 15.514,18 6,19 6,20 1.891,21 1.873,22 3.919,23 11.43,24 13.057,25 1,26 26,27 11.6,28 3.978,29 1.915,30 6.485,31 3.441,32 3.06,33 4.223,34 3.776,35 5.481,36 1.853,37 3.775,38 1.607,39 5.191,40 3.43,41 3,42 3.46,43 1.516,44 0.782,45 1.537,46 14.092,47 8.097,48 6,49 9.734,50 0.996,51 6.781,52 1.996,53 4.891,54 1.613,55 3.366,56 16.033,57 10.029,58 4.126,59 63.794,60 8.101,61 9.432,62 4.265,63 0.933,64 59,65 5.316,66 0.965,67 2,68 1.79,69 39.194,70 4.959,71 7.2}
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{0 CHEMBL1995765,1 1,7 59.833,10 3,11 3,12 3.143,14 0.077,15 2.667,16 1.454,17 3.167,18 2,20 1.48,21 1.488,22 3.693,23 2.893,24 2.862,25 1,26 8,27 3.589,28 3.738,29 1.54,30 1.715,31 2.571,32 1.114,33 1.042,34 3.525,35 1.001,36 1.311,37 3.548,38 0.811,39 3.992,40 1.96,41 2,42 2.629,43 1.536,45 0.772,46 2.845,47 3.037,48 1,49 3.638,50 0.279,51 0.97,52 1.672,53 3.779,54 0.989,55 1.038,56 0.493,57 3.684,58 3.204,59 24.033,60 0.943,61 0.918,62 3.344,63 1.538,64 22,65 3.892,68 1.108,69 7.956,70 3.783,71 4.1}
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{0 CHEMBL1995813,1 2,3 2,4 0.428,6 4,7 84.287,8 2,10 4,11 4,12 11.847,14 0.802,15 3.987,16 1.816,17 12.449,18 4,19 5,20 1.894,21 1.868,22 3.903,23 9.239,24 10.664,25 2,26 20,27 9.431,28 3.965,29 1.913,30 5.044,31 3.213,32 0.05,33 0.008,34 3.764,35 0.001,36 1.827,37 3.76,38 1.389,39 4.978,40 0.8,41 3,42 3.219,43 1.499,44 0.514,45 1.482,46 8.327,47 6.521,48 3,49 7.877,50 0.848,52 1.997,53 4.607,54 1.507,55 2.701,56 8.716,57 7.993,58 3.875,59 48.896,62 4.021,63 1.822,64 46,65 4.993,66 0.688,67 1,68 1.554,69 25.956,70 4.721,71 8.3}
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{0 CHEMBL1996048,7 95.617,10 6,11 6,12 11.817,14 0.747,15 3.942,16 1.91,17 11.109,18 7,19 3,20 1.805,21 1.937,22 3.878,23 8.849,24 11.861,26 20,27 9.238,28 3.908,29 1.801,30 4.992,31 3.323,32 1.063,33 1.022,34 3.825,35 0.993,36 1.798,37 3.819,38 1.458,39 4.782,40 1.96,41 2,42 3.333,43 1.523,44 0.299,45 1.328,46 10.705,47 6.086,48 5,49 7.282,50 0.998,51 0.967,52 2.027,53 4.509,54 1.489,55 2.417,56 9.998,57 7.49,58 3.851,59 48.524,60 0.942,61 0.917,62 3.993,63 3.537,64 45,65 4.87,66 0.821,68 1.64,69 23.006,70 4.574,71 6.6}
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{0 CHEMBL1996111,1 1,7 35.474,10 1,11 1,12 10.546,14 0.744,15 3.893,16 1.882,17 9.775,18 2,19 9,20 1.84,21 1.912,22 3.963,23 7.479,24 7.717,25 1,26 18,27 8.079,28 4.013,29 1.856,30 4.625,31 3.264,32 1.543,33 1.746,34 3.86,35 1.994,36 1.805,37 3.859,38 1.37,39 4.735,40 2.293,41 3,42 3.287,43 1.547,44 0.469,45 1.417,46 8.296,47 6.597,48 4,49 7.871,50 0.878,51 2.264,52 2.012,53 4.579,54 1.593,55 2.465,56 11.461,57 8.123,58 3.907,59 49.69,60 2.551,61 2.851,62 4.036,63 -0.294,64 47,65 4.954,66 0.821,67 2,68 1.585,69 25.023,70 4.559,71 6.7}
{0 CHEMBL1996155,1 4,3 1,4 0.561,7 53.616,8 1,12 12.147,14 0.701,15 3.964,16 1.79,17 11.358,19 1,20 1.911,21 1.843,22 3.873,23 8.727,24 10.387,25 4,26 21,27 9.613,28 3.93,29 1.915,30 5.489,31 3.16,32 0.938,33 0.732,34 3.73,35 0.57,36 1.891,37 3.738,38 1.313,39 4.772,40 1.72,41 3,42 3.158,43 1.454,44 0.578,45 1.375,46 8.272,47 5.95,48 6,49 7.165,50 0.95,51 0.438,52 2.023,53 4.558,54 1.436,55 2.564,56 8.054,57 7.367,58 3.819,59 47.441,60 0.334,61 0.252,62 3.948,63 -0.797,64 44,65 4.853,66 0.701,68 1.566,69 22.545,70 4.546,71 6.2}
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{0 CHEMBL1996208,1 1,7 36.713,10 3,11 3,12 9.685,14 0.814,15 3.78,16 1.752,17 9.596,18 1,19 1,20 1.819,21 1.802,22 3.865,23 7.633,24 9.502,25 1,26 20,27 9.425,28 3.912,29 1.843,30 4.73,31 3.237,32 1.294,33 1.061,34 3.705,35 0.861,36 1.746,37 3.731,38 1.392,39 4.83,40 1.72,41 3,42 3.231,43 1.448,44 0.234,45 1.292,46 7.266,47 6.001,48 6,49 7.299,50 0.825,51 0.69,52 1.982,53 4.606,54 1.429,55 2.463,56 9.381,57 7.386,58 3.882,59 49.315,60 0.544,61 0.424,62 4.018,63 1.118,64 45,65 4.783,66 0.676,67 1,68 1.65,69 21.344,70 4.596,71 5.2}
{0 CHEMBL1996234,1 1,4 0.191,6 7,7 34.214,8 1,10 3,11 3,12 15.394,14 0.976,15 4.325,16 1.906,17 13.729,18 3,19 9,20 1.984,21 1.947,22 4.038,23 10.727,24 14.167,25 1,26 23,27 10.547,28 4.071,29 1.986,30 6.037,31 3.705,34 3.934,36 1.993,37 3.947,38 1.788,39 5.101,41 4,42 3.71,43 1.537,44 0.609,45 1.504,46 13.594,47 8.6,48 3,49 10.433,50 1.08,52 2.098,53 4.787,54 1.601,55 3.29,56 15.269,57 10.704,58 4.13,59 61.438,62 4.246,63 0.791,64 60,65 5.209,66 0.906,67 1,68 1.883,69 31.366,70 4.912,71 6.2}
{0 CHEMBL1996345,7 50.397,10 2,11 2,12 7.926,14 0.589,15 3.48,16 1.787,17 8.516,19 6,20 1.718,21 1.828,22 3.91,23 6.577,24 5.317,26 13,27 5.686,28 3.942,29 1.757,30 3.286,31 3.216,32 3.563,33 4.962,34 3.87,35 6.378,36 1.552,37 3.834,38 1.201,39 4.625,40 4.069,41 2,42 3.187,43 1.64,44 0.168,45 1.188,46 5.306,47 5.54,48 1,49 6.737,50 0.775,51 7.797,52 1.982,53 4.346,54 1.296,55 2.199,56 6.727,57 6.933,58 3.667,59 38.072,60 9.217,61 10.638,62 3.781,63 0.378,64 37,65 4.582,66 0.724,67 1,68 1.442,69 21.673,70 4.416,71 5.4}
{0 CHEMBL1996390,1 2,7 18.095,10 1,11 1,12 5.391,14 0.268,15 3.105,16 1.708,17 5.495,20 1.613,21 1.734,22 3.825,23 3.796,24 5.197,25 2,26 9,27 3.407,28 3.848,29 1.632,30 2.292,31 2.902,32 2.253,33 2.922,34 3.795,35 3.619,36 1.467,37 3.769,38 0.963,39 4.162,40 2.873,41 2,42 2.885,43 1.56,44 0.018,45 0.996,46 4.454,47 4.348,48 2,49 5.255,50 0.671,51 4.33,52 1.836,53 3.939,54 1.107,55 1.503,56 2.09,57 5.443,58 3.431,59 29.498,60 5.047,61 5.769,62 3.495,63 -0.28,64 29,65 4.17,66 0.293,68 1.181,69 10.073,70 4.039,71 5}
{0 CHEMBL1996500,1 2,6 6,7 59.847,10 2,11 2,12 12.016,14 0.826,15 3.924,16 1.824,17 9.818,18 2,20 1.942,21 1.864,22 3.866,23 8.555,24 10.743,25 2,26 20,27 8.556,28 3.895,29 1.95,30 4.98,31 3.523,32 0.05,33 0.008,34 3.762,35 0.001,36 1.935,37 3.775,38 1.655,39 4.975,40 0.8,41 3,42 3.524,43 1.556,44 0.53,45 1.417,46 10.214,47 7.36,48 5,49 8.853,50 1.026,52 1.982,53 4.72,54 1.523,55 2.846,56 12.88,57 9.144,58 4.036,59 57.2,62 4.156,63 0.276,64 53,65 5.135,66 0.804,68 1.802,69 30.476,70 4.794,71 5.5}
{0 CHEMBL1996510,2 1,7 68.03,10 3,11 3,12 12.16,13 1,14 0.849,15 4.115,16 1.91,17 12.832,18 5,19 6,20 1.96,21 1.933,22 4.048,23 9.04,24 11.284,26 20,27 8.814,28 4.083,29 1.955,30 5.013,31 3.579,32 1.868,33 2.051,34 3.961,35 2.313,36 1.949,37 3.969,38 1.64,39 5.073,40 2.4,41 4,42 3.59,43 1.593,44 0.538,45 1.492,46 11.116,47 8.449,48 3,49 10.305,50 1.142,51 2.618,52 2.017,53 4.784,54 1.571,55 3.2,56 14.424,57 10.453,58 4.095,59 58.315,60 2.946,61 3.289,62 4.211,63 0.853,64 57,65 5.075,66 1.064,68 1.72,69 25.56,70 4.876,71 5.7}
{0 CHEMBL1996543,1 2,3 1,4 -0.14,6 2,7 74.904,8 1,10 3,11 3,12 12.994,14 0.832,15 4.028,16 1.917,17 12.049,18 4,19 5,20 1.898,21 1.941,22 3.987,23 8.832,24 11.977,25 2,26 20,27 8.908,28 4.013,29 1.899,30 5.209,31 3.474,32 0.739,33 0.593,34 3.918,35 0.469,36 1.888,37 3.92,38 1.655,39 4.911,40 1.72,41 3,42 3.469,43 1.511,44 0.388,45 1.284,46 11.022,47 7.085,48 6,49 8.557,50 1.069,51 0.366,52 2.026,53 4.597,54 1.61,55 2.669,56 9.054,57 8.727,58 3.955,59 52.781,60 0.283,61 0.217,62 4.071,63 0.872,64 50,65 4.976,66 0.821,68 1.786,69 25.776,70 4.713,71 5.4}
{0 CHEMBL1996576,2 1,6 2,7 54.376,10 2,11 2,12 18.753,13 1,14 1.029,15 4.135,16 1.895,17 16.445,18 6,19 3,20 2,21 1.921,22 3.947,23 11.727,24 20.048,26 24,27 10.401,28 3.973,29 1.997,30 6.386,31 3.411,32 5.712,33 8.392,34 3.864,35 11.16,36 2.006,37 3.865,38 1.588,39 5.227,40 5.546,41 2,42 3.418,43 1.544,44 0.715,45 1.513,46 17.108,47 8.529,48 3,49 10.487,50 1.157,51 13.944,52 2.023,53 4.916,54 1.539,55 3.475,56 13.216,57 10.622,58 4.149,59 63.915,60 16.732,61 19.52,62 4.263,63 0.208,64 60,65 5.374,66 0.988,67 1,68 1.796,69 37.313,70 5.021,71 5.4}
{0 CHEMBL1996587,6 2,7 39.773,10 1,11 1,12 11.709,14 0.971,15 3.924,16 1.813,17 11.619,18 1,19 5,20 1.88,21 1.85,22 4.009,23 9.347,24 9.936,26 20,27 8.665,28 4.062,29 1.874,30 5.227,31 3.531,34 3.84,36 1.87,37 3.867,38 1.564,39 5.056,41 3,42 3.525,43 1.586,44 0.469,45 1.417,46 11.355,47 7.714,48 4,49 9.371,50 1.084,52 1.969,53 4.773,54 1.663,55 3.086,56 12.311,57 9.602,58 4.055,59 57.2,62 4.174,63 -0.283,64 54,65 5.207,66 0.836,68 1.822,69 32.948,70 4.857,71 5}
{0 CHEMBL1996604,7 34.796,10 1,11 1,12 7.97,14 0.574,15 3.645,16 1.854,17 7.632,18 1,19 7,20 1.628,21 1.884,22 3.889,23 6.553,24 8.613,26 16,27 6.874,28 3.916,29 1.661,30 4.105,31 3.056,32 5.803,33 8.334,34 3.818,35 10.885,36 1.599,37 3.816,38 1.268,39 4.509,40 7.134,41 3,42 3.072,43 1.584,44 0.337,45 1.286,46 8.513,47 5.793,48 4,49 6.906,50 0.652,51 13.438,52 1.988,53 4.395,54 1.514,55 2.114,56 5.594,57 7.203,58 3.799,59 44.451,60 15.994,61 18.553,62 3.886,63 -0.301,64 42,65 4.536,66 0.786,67 1,68 1.576,69 16.486,70 4.371,71 5}
{0 CHEMBL1996646,3 1,4 0.422,6 4,7 18.822,8 1,10 2,11 2,12 15.699,14 0.825,15 4.253,16 1.875,17 15.862,18 4,19 11,20 1.991,21 1.891,22 3.923,23 12.158,24 14.958,26 27,27 12.069,28 3.939,29 1.99,30 6.992,31 3.306,32 1.284,33 1.025,34 3.842,35 0.819,36 1.984,37 3.847,38 1.405,39 5.161,40 1.72,41 3,42 3.322,43 1.5,44 0.689,45 1.549,46 14.864,47 8.271,48 7,49 9.939,50 1.13,51 0.65,52 2.036,53 4.876,54 1.565,55 3.527,56 16.658,57 10.231,58 4.137,59 64.338,60 0.511,61 0.399,62 4.257,63 0.21,64 60,65 5.22,66 1.064,68 1.59,69 35.641,70 4.941,71 5.8}
{0 CHEMBL1996649,1 1,6 6,7 94.812,10 5,11 5,12 19.301,14 1.045,15 4.43,16 1.851,17 17.176,18 7,19 9,20 1.974,21 1.879,22 3.923,23 13.812,24 20.914,25 1,26 31,27 14.134,28 3.956,29 1.965,30 7.891,31 3.59,32 2.65,33 3.357,34 3.831,35 4.206,36 1.978,37 3.833,38 1.732,39 5.303,40 2.912,41 3,42 3.589,43 1.511,44 0.869,45 1.725,46 18.245,47 10.02,48 10,49 12.034,50 1.053,51 5.133,52 1.992,53 5.013,54 1.761,55 4.307,56 15.593,57 12.407,58 4.319,59 78.066,60 6.1,61 7.087,62 4.448,63 2.214,64 72,65 5.368,66 1.181,68 1.876,69 43.25,70 5.086,71 5.9}
{0 CHEMBL1996702,7 63.903,10 4,11 4,12 18.596,14 0.953,15 4.4,16 1.886,17 15.983,18 8,19 6,20 1.927,21 1.909,22 3.923,23 11.898,24 18.063,26 28,27 12.742,28 3.943,29 1.916,30 7.077,31 3.529,32 2.031,33 2.042,34 3.85,35 2.087,36 1.935,37 3.854,38 1.691,39 5.173,40 2.117,41 2,42 3.528,43 1.554,44 0.574,45 1.569,46 15.981,47 8.787,48 7,49 10.504,50 1.104,51 2.152,52 2.013,53 4.91,54 1.697,55 3.488,56 13.432,57 10.844,58 4.223,59 69.813,60 2.229,61 2.315,62 4.341,63 1.516,64 65,65 5.373,66 1.075,67 2,68 1.853,69 39.261,70 4.998,71 5.7}
{0 CHEMBL1996780,1 2,6 3,7 43.462,10 1,11 1,12 12.074,14 0.906,15 4.13,16 1.865,17 11.004,18 2,19 10,20 1.876,21 1.888,22 3.897,23 8.78,24 13.738,25 2,26 20,27 8.569,28 3.925,29 1.885,30 5.231,31 3.435,32 2.844,33 3.814,34 3.831,35 4.826,36 1.857,37 3.83,38 1.533,39 4.888,40 3.349,41 3,42 3.453,43 1.577,44 0.587,45 1.536,46 14.126,47 7.626,48 5,49 9.177,50 0.945,51 5.851,52 1.986,53 4.64,54 1.579,55 3.044,56 12.19,57 9.445,58 4.018,59 55.571,60 6.88,61 7.91,62 4.109,63 -0.382,64 53,65 4.987,66 0.875,68 1.801,69 24.543,70 4.738,71 6.8}
{0 CHEMBL1996791,3 2,4 0.135,6 8,7 22.249,8 2,10 3,11 3,12 8.973,14 0.745,15 3.218,16 1.734,17 8.949,18 3,20 1.56,21 1.772,22 3.809,23 6.377,24 8.593,25 1,26 14,27 2.213,28 3.859,29 1.594,30 3.373,31 3.035,34 3.719,36 1.513,37 3.68,38 1.153,39 4.697,41 2,42 2.942,43 1.52,44 0.006,45 0.991,46 6.885,47 4.759,48 1,49 5.823,50 0.825,52 1.917,53 4.339,54 1.259,55 1.98,56 3.924,57 5.958,58 3.604,59 36.498,62 3.737,63 1.306,64 34,65 4.737,66 0.081,67 1,68 1.466,69 27.133,70 4.463,71 5}
{0 CHEMBL1996817,6 2,7 45.606,10 1,11 1,12 8.397,14 0.699,15 3.736,16 1.722,17 9.454,18 2,19 5,20 1.868,21 1.761,22 3.817,23 7.505,24 7.939,25 1,26 17,27 7.744,28 3.853,29 1.849,30 4.42,31 3.096,32 0.739,33 0.593,34 3.723,35 0.469,36 1.798,37 3.727,38 1.419,39 4.624,40 1.72,41 2,42 3.123,43 1.471,44 0.218,45 1.181,46 7.398,47 5.594,48 5,49 6.66,50 0.865,51 0.366,52 1.937,53 4.397,54 1.464,55 2.449,56 7.594,57 6.818,58 3.708,59 41.611,60 0.283,61 0.217,62 3.83,63 -0.32,64 39,65 4.573,66 0.611,68 1.577,69 17.526,70 4.4,71 6.3}
{0 CHEMBL1996831,7 20.108,10 1,11 1,12 10.487,14 0.979,15 3.856,16 1.685,17 11.978,18 1,19 6,20 1.793,21 1.719,22 3.875,23 9.01,24 10.8,26 17,27 7.655,28 3.915,29 1.751,30 4.776,31 3.166,32 2.297,33 2.933,34 3.807,35 3.621,36 1.86,37 3.796,38 1.548,39 4.788,40 2.873,41 2,42 3.187,43 1.583,44 0.276,45 1.214,46 11.283,47 6.085,48 1,49 7.424,50 1.211,51 4.33,52 1.842,53 4.462,54 1.454,55 2.629,56 6.595,57 7.572,58 3.745,59 42.239,60 5.048,61 5.769,62 3.846,63 -0.385,64 41,65 4.726,66 0.673,68 1.721,69 19.684,70 4.575,71 5}
{0 CHEMBL1996837,7 46.573,10 4,11 4,12 5.374,14 0.422,15 2.717,16 1.55,17 3.713,18 1,20 1.63,21 1.572,22 3.521,23 4.251,24 4.384,26 10,27 4.609,28 3.573,29 1.636,30 2.327,31 2.828,32 1.045,33 1.019,34 3.312,35 0.993,36 1.543,37 3.325,38 1.021,39 3.967,40 1.96,41 1,42 2.852,43 1.632,45 0.817,46 4.527,47 3.168,48 1,49 3.781,50 0.597,51 0.967,52 1.782,53 3.954,54 1.127,55 1.194,56 1.781,57 4.029,58 3.319,59 27.368,60 0.942,61 0.917,62 3.455,63 2.451,64 25,65 4.077,68 1.323,69 15.749,70 3.835,71 4.9}
{0 CHEMBL1996923,7 20.829,10 1,11 1,12 1.008,15 1.93,16 1.104,17 1.475,20 0.96,21 1.208,22 3.372,23 0.988,24 1.139,26 3,27 0.828,28 3.429,29 0.959,30 0.604,31 2.204,34 3.149,36 0.971,37 3.176,38 0.7,39 3.428,41 1,42 2.227,43 1.568,46 0.311,47 2.321,49 2.834,52 1.573,53 3.366,54 0.109,55 0.73,57 2.943,58 2.863,59 15.798,62 2.954,63 0.057,64 15,65 3.23,68 0.768,69 5.114,70 3.327,71 5}
{0 CHEMBL1996931,1 2,3 1,4 -0.358,6 2,7 38.64,8 1,10 2,11 2,12 12.58,14 0.857,15 3.932,16 1.894,17 11.977,18 2,19 10,20 1.859,21 1.919,22 3.923,23 8.359,24 11.806,25 2,26 19,27 7.868,28 3.951,29 1.863,30 4.953,31 3.431,32 1.255,33 1.338,34 3.872,35 1.422,36 1.843,37 3.863,38 1.555,39 4.852,40 2.117,41 3,42 3.433,43 1.518,44 0.242,45 1.224,46 11.46,47 6.685,48 6,49 8.065,50 0.96,51 1.51,52 2.016,53 4.512,54 1.318,55 2.54,56 7.747,57 8.28,58 3.89,59 50.096,60 1.599,61 1.69,62 3.994,63 0.213,64 47,65 4.917,66 0.821,68 1.751,69 26.438,70 4.658,71 5.7}
{0 CHEMBL1996979,1 1,7 45.559,10 2,11 2,12 7.415,14 0.6,15 3.623,16 1.867,17 7.704,18 4,19 5,20 1.928,21 1.887,22 3.934,23 5.587,24 6.762,25 1,26 13,27 4.914,28 3.954,29 1.938,30 3.264,31 3.299,32 1.255,33 1.338,34 3.843,35 1.422,36 1.893,37 3.853,38 1.421,39 4.679,40 2.117,41 3,42 3.318,43 1.565,44 0.218,45 1.181,46 6.56,47 6.345,48 3,49 7.686,50 0.968,51 1.51,52 1.986,53 4.379,54 1.425,55 2.209,56 5.615,57 7.797,58 3.801,59 43.875,60 1.599,61 1.69,62 3.901,63 0.251,64 42,65 4.692,66 0.787,67 1,68 1.577,69 16.64,70 4.513,71 6.1}
{0 CHEMBL1996980,1 1,2 1,3 2,4 0.479,6 8,7 80.469,8 2,9 1,10 4,11 4,12 14.744,13 1,14 0.829,15 4.078,16 1.823,17 14.592,18 6,19 4,20 1.887,21 1.873,22 3.916,23 10.735,24 13.11,25 1,26 24,27 10.655,28 3.975,29 1.913,30 5.939,31 3.384,32 3.032,33 4.207,34 3.775,35 5.466,36 1.801,37 3.773,38 1.548,39 5.159,40 3.423,41 3,42 3.407,43 1.512,44 0.769,45 1.513,46 12.478,47 7.838,48 6,49 9.468,50 0.912,51 6.763,52 1.996,53 4.824,54 1.612,55 3.241,56 12.949,57 9.684,58 4.078,59 60.378,60 8.08,61 9.407,62 4.217,63 1.697,64 56,65 5.185,66 0.979,67 4,68 1.781,69 34.086,70 4.916,71 8.4}
{0 CHEMBL1997007,6 2,7 84.003,10 3,11 3,12 9.665,14 0.756,15 3.976,16 1.805,17 10.802,18 6,19 6,20 1.863,21 1.838,22 3.927,23 9.203,24 9.468,26 21,27 9.588,28 3.956,29 1.835,30 5.261,31 3.321,32 1.27,33 1.34,34 3.848,35 1.423,36 1.911,37 3.85,38 1.478,39 4.862,40 2.117,41 2,42 3.315,43 1.498,44 0.535,45 1.454,46 9.885,47 6.642,48 6,49 7.891,50 1.08,51 1.51,52 1.963,53 4.602,54 1.603,55 3.012,56 9.413,57 8.103,58 3.895,59 51.023,60 1.599,61 1.69,62 4.035,63 0.998,64 47,65 4.805,66 0.821,68 1.657,69 22.041,70 4.62,71 5.5}
{0 CHEMBL1997023,1 1,7 27.058,10 2,11 2,12 6.718,14 0.364,15 2.952,16 1.392,17 5.431,18 1,20 1.61,21 1.443,22 3.624,23 4.356,24 6.28,25 1,26 11,27 4.781,28 3.647,29 1.662,30 2.538,31 2.994,32 2.525,33 3.076,34 3.42,35 3.704,36 1.441,37 3.432,38 1.205,39 4.213,40 2.873,41 1,42 2.972,43 1.592,45 1.027,46 6.929,47 4.029,48 3,49 4.794,50 0.469,51 4.376,52 1.71,53 4.107,54 1.308,55 1.454,56 2,57 5.043,58 3.499,59 32.704,60 5.073,61 5.783,62 3.594,63 0.538,64 30,65 4.439,66 0.368,68 1.417,69 15.755,70 4.09,71 5}
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{0 CHEMBL1997051,1 1,7 58.998,10 2,11 2,12 17.266,14 0.924,15 4.395,16 1.893,17 14.139,18 4,19 6,20 1.964,21 1.918,22 3.964,23 11.318,24 15.016,25 1,26 27,27 11.264,28 3.994,29 1.973,30 6.82,31 3.779,32 1.725,33 1.673,34 3.874,35 1.667,36 1.948,37 3.876,38 1.768,39 5.227,40 2.117,41 5,42 3.766,43 1.542,44 0.639,45 1.589,46 19.028,47 10.763,48 9,49 12.926,50 1.038,51 1.688,52 2.025,53 5.04,54 1.784,55 3.909,56 17.46,57 13.366,58 4.386,59 80.074,60 1.729,61 1.786,62 4.494,63 0.149,64 76,65 5.417,66 1.195,67 1,68 1.854,69 38.935,70 5.067,71 5.5}
{0 CHEMBL1997119,1 1,7 12.233,10 2,11 2,12 6.141,14 0.276,15 3.367,16 1.738,17 5.862,20 1.608,21 1.773,22 3.828,23 4.726,24 5.941,25 1,26 11,27 4.995,28 3.864,29 1.641,30 2.725,31 2.922,34 3.75,36 1.497,37 3.749,38 1.055,39 4.265,41 2,42 2.92,43 1.506,44 0.146,45 1.123,46 5.793,47 4.153,48 1,49 4.983,50 0.434,52 1.888,53 4.015,54 1.107,55 1.496,56 2.383,57 5.086,58 3.422,59 30.156,62 3.548,63 0.39,64 29,65 4.264,66 0.233,68 1.272,69 11.442,70 4.062,71 4.5}
{0 CHEMBL1997129,1 1,7 51.241,10 2,11 2,12 10.285,14 0.66,15 3.919,16 1.819,17 10.413,18 6,19 7,20 1.938,21 1.849,22 3.922,23 7.711,24 9.669,25 1,26 17,27 7.553,28 3.953,29 1.937,30 4.453,31 3.268,32 1.255,33 1.338,34 3.858,35 1.422,36 1.923,37 3.854,38 1.436,39 4.766,40 2.117,41 3,42 3.264,43 1.537,44 0.411,45 1.297,46 7.783,47 6.434,48 3,49 7.766,50 1.032,51 1.51,52 1.959,53 4.459,54 1.429,55 2.45,56 7.926,57 7.924,58 3.82,59 45.611,60 1.599,61 1.69,62 3.935,63 0.214,64 44,65 4.748,66 0.804,68 1.581,69 19.804,70 4.56,71 6.6}
{0 CHEMBL1997193,7 57.895,10 2,11 2,12 7.064,14 0.545,15 3.281,16 1.746,17 6.729,18 5,19 6,20 1.718,21 1.756,22 3.869,23 5.108,24 6.325,26 11,27 1.512,28 3.877,29 1.674,30 2.625,31 3.095,32 3.632,33 4.982,34 3.87,35 6.383,36 1.739,37 3.83,38 1.295,39 4.419,40 4.069,41 3,42 3.095,43 1.675,44 0.136,45 1.045,46 6.33,47 5.348,48 2,49 6.467,50 0.882,51 7.798,52 1.837,53 4.178,54 1.274,55 1.9,56 4.147,57 6.791,58 3.645,59 37.253,60 9.218,61 10.638,62 3.715,63 0.321,64 36,65 4.493,66 0.687,68 1.44,69 14.23,70 4.315,71 6}
{0 CHEMBL1997197,1 1,7 65.492,10 3,11 3,12 7.935,14 0.651,15 3.673,16 1.755,17 7.569,19 1,20 1.676,21 1.791,22 3.912,23 7.057,24 9.139,25 1,26 17,27 7.717,28 3.935,29 1.696,30 4.157,31 3.256,32 1.769,33 1.936,34 3.851,35 2.198,36 1.63,37 3.844,38 1.412,39 4.574,40 2.276,41 3,42 3.284,43 1.452,44 0.443,45 1.319,46 8.278,47 5.867,48 6,49 7.009,50 0.665,51 2.525,52 1.934,53 4.435,54 1.532,55 2.131,56 6.681,57 7.278,58 3.822,59 46.112,60 2.897,61 3.299,62 3.941,63 1.039,64 43,65 4.632,66 0.736,68 1.581,69 18.506,70 4.387,71 5.4}
{0 CHEMBL1997275,7 34.796,10 2,11 2,12 8.327,14 0.58,15 3.677,16 1.854,17 7.819,18 6,19 4,20 1.768,21 1.878,22 3.971,23 6.154,24 8.847,26 14,27 6.141,28 3.998,29 1.782,30 3.573,31 3.206,32 1.527,33 1.53,34 3.894,35 1.557,36 1.734,37 3.898,38 1.321,39 4.524,40 2.117,41 2,42 3.229,43 1.578,44 0.248,45 1.206,46 6.33,47 5.621,48 2,49 6.773,50 0.806,51 1.603,52 1.969,53 4.326,54 1.485,55 2.028,56 6.762,57 6.946,58 3.716,59 39.907,60 1.663,61 1.734,62 3.816,63 0.259,64 39,65 4.584,66 0.724,68 1.578,69 15.624,70 4.371,71 5.4}
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{0 CHEMBL1997340,1 1,3 1,4 -0.456,6 4,7 40.872,8 1,10 2,11 2,12 9.696,14 0.71,15 3.609,16 1.761,17 9.993,18 3,19 3,20 1.628,21 1.815,22 3.908,23 7.121,24 7.279,25 1,26 16,27 7.307,28 3.951,29 1.66,30 4.095,31 3.147,32 1.511,33 1.739,34 3.724,35 1.993,36 1.582,37 3.746,38 1.311,39 4.804,40 2.293,41 3,42 3.17,43 1.555,44 0.407,45 1.343,46 5.625,47 6.037,48 2,49 7.357,50 0.778,51 2.264,52 2.013,53 4.498,54 1.427,55 2.378,56 4.8,57 7.45,58 3.815,59 44.113,60 2.551,61 2.851,62 3.922,63 0.364,64 42,65 4.847,66 0.734,67 2,68 1.478,69 23.827,70 4.604,71 5.2}
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{0 CHEMBL1997503,3 2,4 -0.049,6 10,7 30.274,8 3,10 2,11 2,12 14.235,14 1.064,15 4.124,16 1.868,17 14.572,18 5,19 4,20 1.825,21 1.885,22 3.924,23 11.304,24 12.794,26 24,27 10.353,28 3.958,29 1.822,30 6.285,31 3.434,32 3.658,33 5.206,34 3.839,35 6.849,36 1.86,37 3.837,38 1.585,39 5.14,40 3.925,41 4,42 3.449,43 1.543,44 0.469,45 1.417,46 13.896,47 8.197,48 7,49 9.903,50 1.106,51 8.526,52 1.979,53 4.803,54 1.773,55 3.45,56 8.553,57 10.187,58 4.116,59 61.844,60 10.216,61 11.912,62 4.217,63 0.225,64 58,65 5.167,66 0.824,67 1,68 1.85,69 35.297,70 4.94,71 5}
{0 CHEMBL1997534,3 1,4 -0.117,6 3,7 63.906,8 1,10 2,11 2,12 14.956,14 0.837,15 4.132,16 1.894,17 12.366,18 4,19 11,20 1.771,21 1.919,22 3.953,23 10.666,24 15.673,26 23,27 10.579,28 3.981,29 1.772,30 6.165,31 3.329,32 1.594,33 1.614,34 3.88,35 1.674,36 1.79,37 3.873,38 1.509,39 4.886,40 2.162,41 3,42 3.34,43 1.564,44 0.617,45 1.563,46 13.747,47 7.51,48 5,49 8.96,50 0.917,51 1.758,52 2.027,53 4.716,54 1.698,55 3.037,56 12.09,57 9.431,58 4.045,59 57.986,60 1.859,61 1.973,62 4.155,63 0.194,64 55,65 5.049,66 0.966,68 1.727,69 33.697,70 4.722,71 7.7}
{0 CHEMBL1997597,6 3,7 26.388,10 4,11 4,12 8.822,14 0.452,15 3.49,16 1.838,17 8.892,18 5,19 1,20 1.838,21 1.837,22 4.003,23 7.449,24 9.517,26 16,27 9.678,28 3.994,29 1.803,30 4.035,31 3.185,34 3.951,36 1.798,37 3.861,38 1.351,39 4.67,41 2,42 3.201,43 1.557,44 0.285,45 1.181,46 7.881,47 5.47,48 4,49 6.574,50 0.985,52 1.986,53 4.395,54 1.434,55 2.176,56 5.586,57 6.89,58 3.757,59 42.823,62 3.869,63 1.914,64 40,65 4.697,66 0.678,68 1.492,69 21.344,70 4.487,71 5.4}
{0 CHEMBL1997611,6 3,7 74.073,10 2,11 2,12 7.561,14 0.718,15 3.565,16 1.584,17 6.353,18 3,19 2,20 1.77,21 1.614,22 3.869,23 6.497,24 7.367,26 15,27 5.967,28 3.899,29 1.81,30 3.537,31 3.269,32 4.597,33 6.185,34 3.676,35 7.917,36 1.749,37 3.708,38 1.441,39 4.723,40 4.612,41 1,42 3.286,43 1.658,44 0.251,45 1.25,46 7.346,47 6.243,48 5,49 7.528,50 0.867,51 9.732,52 1.816,53 4.536,54 1.654,55 2.513,56 6.627,57 7.734,58 3.887,59 47.824,60 11.595,61 13.483,62 3.987,63 0.414,64 44,65 4.804,66 0.801,67 2,68 1.699,69 17.176,70 4.578,71 5.4}
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{0 CHEMBL1997623,7 64.916,10 5,11 5,12 10.195,14 0.472,15 3.752,16 1.879,17 8.912,18 6,19 8,20 1.889,21 1.905,22 3.951,23 7.047,24 9.01,26 16,27 6.34,28 3.984,29 1.888,30 3.85,31 3.252,32 5.464,33 8.065,34 3.858,35 10.736,36 1.889,37 3.863,38 1.396,39 4.831,40 5.335,41 3,42 3.287,43 1.538,44 0.259,45 1.205,46 7.961,47 7.109,48 3,49 8.621,50 0.997,51 13.417,52 2.007,53 4.587,54 1.533,55 2.45,56 7.086,57 8.724,58 3.97,59 52.626,60 16.1,61 18.783,62 4.088,63 2.452,64 49,65 4.96,66 0.821,68 1.537,69 22.805,70 4.657,71 5}
{0 CHEMBL1997759,1 2,7 38.985,10 1,11 1,12 8.659,14 0.618,15 3.82,16 1.859,17 8.057,18 3,19 4,20 1.862,21 1.884,22 3.908,23 6.464,24 8.841,25 2,26 16,27 6.876,28 3.935,29 1.866,30 4.042,31 3.304,32 1.527,33 1.53,34 3.824,35 1.557,36 1.82,37 3.826,38 1.479,39 4.678,40 2.117,41 3,42 3.314,43 1.542,44 0.231,45 1.213,46 7.975,47 6.497,48 4,49 7.791,50 0.882,51 1.603,52 1.995,53 4.468,54 1.526,55 2.33,56 5.265,57 7.971,58 3.864,59 46.903,60 1.663,61 1.734,62 3.97,63 -0.332,64 45,65 4.734,66 0.821,68 1.588,69 18.163,70 4.509,71 5}
{0 CHEMBL1997764,1 1,7 45.559,10 2,11 2,12 9.503,14 0.601,15 3.918,16 1.877,17 9.297,18 4,19 6,20 1.932,21 1.897,22 3.924,23 7.212,24 10.137,25 1,26 17,27 7.426,28 3.943,29 1.94,30 4.321,31 3.302,32 1.527,33 1.53,34 3.846,35 1.557,36 1.896,37 3.849,38 1.421,39 4.705,40 2.117,41 3,42 3.324,43 1.54,44 0.364,45 1.308,46 8.911,47 6.603,48 4,49 7.918,50 0.971,51 1.603,52 1.995,53 4.479,54 1.549,55 2.388,56 6.429,57 8.117,58 3.876,59 47.82,60 1.663,61 1.734,62 3.982,63 0.213,64 46,65 4.759,66 0.821,67 1,68 1.578,69 19.203,70 4.537,71 5.5}
{0 CHEMBL1997822,1 1,7 34.658,10 3,11 3,12 13.592,14 0.886,15 3.949,16 1.949,17 10.711,18 5,19 9,20 1.903,21 1.96,22 4.081,23 9.533,24 14.283,25 1,26 19,27 10.087,28 4.086,29 1.886,30 5.03,31 3.598,32 5.027,33 7.185,34 4.065,35 9.348,36 1.807,37 4.006,38 1.606,39 4.87,40 5.9,41 3,42 3.533,43 1.618,44 0.645,45 1.403,46 12.406,47 7.436,48 3,49 8.963,50 1.029,51 11.511,52 2.035,53 4.635,54 1.701,55 2.707,56 10.861,57 9.544,58 4.013,59 54.075,60 13.675,61 15.838,62 4.1,63 0.867,64 53,65 4.993,66 0.889,68 1.794,69 27.545,70 4.732,71 5.9}
{0 CHEMBL1997846,1 1,3 1,4 0.479,6 4,7 40.221,8 1,9 1,10 2,11 2,12 11.041,14 0.825,15 3.809,16 1.815,17 11.974,18 5,19 6,20 1.877,21 1.865,22 3.896,23 8.589,24 9.278,25 1,26 18,27 7.805,28 3.955,29 1.897,30 4.63,31 3.239,32 0.05,33 0.008,34 3.765,35 0.001,36 1.784,37 3.76,38 1.421,39 4.919,40 0.8,41 3,42 3.24,43 1.501,44 0.578,45 1.449,46 8.33,47 6.469,48 3,49 7.826,50 0.864,52 1.992,53 4.563,54 1.429,55 2.72,56 7.737,57 7.978,58 3.831,59 46.342,62 3.961,63 0.321,64 44,65 4.872,66 0.552,67 1,68 1.572,69 25.182,70 4.668,71 7}
{0 CHEMBL1997872,1 1,7 44.069,10 1,11 1,12 10.101,14 0.825,15 3.783,16 1.754,17 10.174,18 2,20 1.843,21 1.785,22 3.918,23 7.386,24 9.659,25 1,26 17,27 7.646,28 3.951,29 1.845,30 4.425,31 3.241,32 1.728,33 1.872,34 3.818,35 2.071,36 1.835,37 3.825,38 1.464,39 4.763,40 2.293,41 3,42 3.246,43 1.554,44 0.362,45 1.246,46 9.147,47 6.13,48 2,49 7.474,50 0.946,51 2.309,52 1.953,53 4.51,54 1.429,55 2.408,56 7.494,57 7.601,58 3.812,59 44.82,60 2.576,61 2.865,62 3.923,63 -0.326,64 43,65 4.763,66 0.641,68 1.639,69 20.676,70 4.566,71 5.6}
{0 CHEMBL1997892,7 87.157,10 3,11 3,12 7.903,14 0.407,15 3.414,16 1.871,17 6.823,18 3,19 8,20 1.843,21 1.893,22 3.934,23 5.844,24 6.34,26 13,27 3.482,28 3.961,29 1.855,30 3.134,31 3.161,32 5.472,33 8.066,34 3.847,35 10.736,36 1.822,37 3.854,38 1.283,39 4.753,40 5.335,41 3,42 3.22,43 1.568,44 0.204,45 1.152,46 8.022,47 6.61,48 3,49 8.04,50 0.912,51 13.417,52 1.993,53 4.531,54 1.424,55 2.292,56 4.097,57 8.191,58 3.907,59 49.621,60 16.1,61 18.783,62 4.006,63 0.999,64 45,65 4.89,66 0.824,68 1.423,69 21.857,70 4.613,71 5.4}
{0 CHEMBL1997909,1 1,7 65.128,10 2,11 2,12 14.541,14 0.92,15 4.399,16 1.89,17 13.434,18 5,19 11,20 1.992,21 1.921,22 3.942,23 10.732,24 14.044,25 1,26 24,27 10.5,28 3.977,29 1.979,30 6.156,31 3.792,32 3.102,33 4.312,34 3.872,35 5.601,36 2.007,37 3.864,38 1.768,39 5.116,40 3.497,41 5,42 3.776,43 1.522,44 0.638,45 1.577,46 13.723,47 9.795,48 7,49 11.779,50 1.122,51 6.927,52 2.029,53 4.862,54 1.669,55 3.594,56 15.431,57 12.158,58 4.241,59 68.856,60 8.273,61 9.631,62 4.35,63 0.123,64 67,65 5.189,66 1.13,67 1,68 1.85,69 29.191,70 4.933,71 5.4}
{0 CHEMBL1997924,4 0.647,7 45.892,8 1,10 3,11 3,12 8.992,14 0.825,15 3.893,16 1.769,17 9.712,18 4,19 8,20 1.711,21 1.799,22 3.984,23 8.291,24 8.482,26 18,27 8.365,28 4.024,29 1.729,30 4.612,31 3.459,32 0.354,33 0.157,34 3.882,35 0.069,36 1.687,37 3.877,38 1.413,39 4.788,40 1.315,41 4,42 3.47,43 1.498,44 0.633,45 1.481,46 7.417,47 6.982,48 6,49 8.459,50 0.924,51 0.03,52 1.924,53 4.567,54 1.522,55 2.661,56 8.015,57 8.684,58 3.922,59 49.401,60 0.013,61 0.006,62 4.047,63 0.974,64 48,65 4.774,66 0.821,67 1,68 1.528,69 20.986,70 4.565,71 6.3}
{0 CHEMBL1998110,1 2,3 1,4 -0.131,6 3,7 57.442,8 1,10 1,11 1,12 11.485,14 0.816,15 3.822,16 1.811,17 9.509,18 2,19 8,20 1.776,21 1.84,22 3.917,23 8.239,24 11.185,25 2,26 19,27 8.503,28 3.942,29 1.78,30 4.988,31 3.299,32 1.594,33 1.614,34 3.855,35 1.674,36 1.761,37 3.847,38 1.432,39 4.694,40 2.162,41 3,42 3.299,43 1.535,44 0.417,45 1.291,46 10.285,47 6.294,48 5,49 7.498,50 0.875,51 1.758,52 1.954,53 4.529,54 1.515,55 2.511,56 10.271,57 7.874,58 3.874,59 49.155,60 1.859,61 1.973,62 3.98,63 -0.317,64 46,65 4.791,66 0.821,68 1.706,69 27.305,70 4.522,71 7.9}
{0 CHEMBL1998112,1 1,7 67.613,10 3,11 3,12 9.889,14 0.584,15 3.944,16 1.876,17 8.67,18 3,19 8,20 1.874,21 1.897,22 3.914,23 7.595,24 11.19,25 1,26 19,27 8.389,28 3.94,29 1.897,30 4.56,31 3.172,32 1.626,33 1.481,34 3.843,35 1.36,36 1.799,37 3.844,38 1.396,39 4.777,40 1.96,41 3,42 3.191,43 1.536,44 0.525,45 1.531,46 11.448,47 7.033,48 6,49 8.425,50 0.897,51 1.257,52 1.992,53 4.62,54 1.539,55 2.522,56 10.748,57 8.65,58 4,59 54.026,60 1.169,61 1.094,62 4.11,63 0.926,64 51,65 4.885,66 0.916,67 1,68 1.576,69 20.652,70 4.623,71 5}
{0 CHEMBL1998121,1 1,4 -0.398,6 2,7 81.259,8 1,10 4,11 4,12 10.394,14 0.519,15 3.587,16 1.888,17 10.137,18 6,19 4,20 1.786,21 1.908,22 3.95,23 7.196,24 9.604,25 1,26 16,27 5.96,28 3.972,29 1.769,30 3.9,31 3.212,32 3.1,33 4.312,34 3.9,35 5.601,36 1.787,37 3.892,38 1.312,39 4.757,40 3.497,41 2,42 3.235,43 1.545,44 0.294,45 1.208,46 9.337,47 5.987,48 5,49 7.253,50 0.969,51 6.927,52 1.991,53 4.433,54 1.495,55 2.264,56 9.07,57 7.456,58 3.799,59 44.997,60 8.273,61 9.631,62 3.919,63 1.819,64 42,65 4.809,66 0.703,67 1,68 1.467,69 24.51,70 4.567,71 8.4}
{0 CHEMBL1998159,1 3,3 1,4 -0.477,6 2,7 105.315,8 1,10 3,11 3,12 13.161,14 0.902,15 3.939,16 1.909,17 11.278,18 3,19 5,20 1.862,21 1.935,22 3.964,23 8.692,24 11.542,25 3,26 20,27 8.327,28 3.994,29 1.871,30 5.11,31 3.422,32 5.425,33 8.058,34 3.89,35 10.734,36 1.843,37 3.889,38 1.554,39 4.956,40 5.335,41 3,42 3.427,43 1.524,44 0.507,45 1.308,46 10.862,47 7.621,48 6,49 9.232,50 0.989,51 13.416,52 2.028,53 4.742,54 1.725,55 2.853,56 9.105,57 9.416,58 4.057,59 58.457,60 16.1,61 18.783,62 4.174,63 0.908,64 54,65 5.139,66 0.878,67 1,68 1.763,69 30.787,70 4.774,71 8.1}
{0 CHEMBL1998193,1 4,6 4,7 122.582,10 4,11 4,12 11.441,14 0.943,15 4.052,16 1.782,17 12.399,18 4,19 4,20 1.946,21 1.823,22 3.866,23 9.715,24 9.942,25 4,26 24,27 10.849,28 3.914,29 1.929,30 5.731,31 3.359,32 3.062,33 3.917,34 3.736,35 4.841,36 1.933,37 3.747,38 1.532,39 5.023,40 2.912,41 2,42 3.373,43 1.442,44 0.346,45 1.338,46 9.953,47 7.04,48 9,49 8.381,50 0.946,51 5.802,52 1.971,53 4.691,54 1.579,55 3.003,56 9.839,57 8.5,58 3.985,59 57.145,60 6.783,61 7.776,62 4.132,63 1.773,64 51,65 4.991,66 0.744,68 1.786,69 26.855,70 4.757,71 5}
{0 CHEMBL1998253,10 2,11 2,12 8.521,14 0.469,15 3.512,16 1.481,17 7.365,18 2,20 1.606,21 1.538,22 3.554,23 5.809,24 8.267,26 14,27 6.372,28 3.628,29 1.59,30 3.582,31 2.88,32 0.379,33 0.239,34 3.42,35 0.156,36 1.628,37 3.416,38 1.023,39 4.247,40 1.2,41 1,42 2.867,43 1.485,44 0.059,45 1.084,46 6.864,47 3.723,48 1,49 4.377,50 0.656,51 0.102,52 1.763,53 4.088,54 1.27,55 1.499,56 2.218,57 4.598,58 3.405,59 31.488,60 0.066,61 0.043,62 3.549,63 0.408,64 29,65 4.466,66 0.069,68 1.417,69 15.174,70 4.06,71 5.4}
{0 CHEMBL1998414,6 2,7 48.456,10 2,11 2,12 8.336,14 0.631,15 3.333,16 1.673,17 8.05,18 3,19 7,20 1.733,21 1.702,22 3.924,23 6.539,24 7.798,26 14,27 5.417,28 3.952,29 1.736,30 3.604,31 3.222,32 1.255,33 1.338,34 3.873,35 1.422,36 1.71,37 3.862,38 1.363,39 4.519,40 2.117,41 2,42 3.19,43 1.558,44 0.242,45 1.181,46 5.858,47 5.26,48 4,49 6.351,50 0.885,51 1.51,52 1.843,53 4.312,54 1.47,55 2.045,56 4.711,57 6.641,58 3.669,59 39.06,60 1.599,61 1.69,62 3.776,63 0.378,64 37,65 4.547,66 0.632,68 1.485,69 21.136,70 4.339,71 5}
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{0 CHEMBL1998470,1 1,7 59.453,9 1,10 2,11 2,12 7.911,14 0.571,15 3.53,16 1.745,17 8.36,18 4,19 5,20 1.862,21 1.785,22 3.841,23 6.765,24 7.373,25 1,26 15,27 6.033,28 3.883,29 1.841,30 3.727,31 3.219,32 2.904,33 4.037,34 3.707,35 5.25,36 1.853,37 3.72,38 1.393,39 4.636,40 3.306,41 2,42 3.223,43 1.521,44 0.282,45 1.176,46 7.406,47 5.697,48 4,49 6.825,50 0.905,51 6.501,52 1.94,53 4.378,54 1.452,55 2.35,56 6.135,57 7.02,58 3.721,59 41.638,60 7.771,61 9.051,62 3.84,63 0.348,64 39,65 4.565,66 0.526,67 1,68 1.546,69 17.063,70 4.428,71 7.5}
{0 CHEMBL1998545,1 2,3 1,4 -0.31,6 2,7 38.64,8 1,10 2,11 2,12 12.69,14 0.857,15 4.059,16 1.893,17 12.212,18 2,19 11,20 1.862,21 1.923,22 3.919,23 8.778,24 11.913,25 2,26 20,27 8.865,28 3.951,29 1.867,30 5.287,31 3.422,32 1.255,33 1.338,34 3.86,35 1.422,36 1.847,37 3.852,38 1.557,39 4.854,40 2.117,41 3,42 3.426,43 1.501,44 0.243,45 1.228,46 11.485,47 6.637,48 6,49 7.972,50 0.964,51 1.51,52 2.026,53 4.513,54 1.318,55 2.56,56 7.807,57 8.151,58 3.883,59 50.152,60 1.599,61 1.69,62 3.995,63 0.194,64 47,65 4.918,66 0.821,68 1.769,69 24.575,70 4.646,71 6.5}
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{0 CHEMBL1998611,7 32.897,10 4,11 4,12 3.713,15 2.192,16 1.556,17 3.224,18 1,20 1.38,21 1.555,22 3.528,23 2.725,24 2.396,26 6,27 3.266,28 3.555,29 1.398,30 1.092,31 2.876,32 1.045,33 1.019,34 3.443,35 0.993,36 1.293,37 3.415,38 0.919,39 3.857,40 1.96,41 1,42 2.894,43 1.65,45 0.672,46 3.156,47 3.146,48 1,49 3.849,50 0.267,51 0.967,52 1.7,53 3.671,54 0.896,55 1.016,56 1.067,57 4.095,58 3.198,59 23.157,60 0.942,61 0.917,62 3.276,63 2.35,64 22,65 3.855,68 0.92,69 26.383,70 3.796,71 6.1}
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{0 CHEMBL1998829,1 1,7 45.559,10 2,11 2,12 8.111,14 0.6,15 3.705,16 1.877,17 8.584,18 4,19 7,20 1.928,21 1.897,22 3.917,23 5.954,24 7.631,25 1,26 14,27 5.293,28 3.937,29 1.931,30 3.44,31 3.304,32 1.255,33 1.338,34 3.86,35 1.422,36 1.894,37 3.855,38 1.421,39 4.65,40 2.117,41 3,42 3.323,43 1.553,44 0.218,45 1.181,46 6.98,47 6.276,48 3,49 7.576,50 0.97,51 1.51,52 1.988,53 4.36,54 1.411,55 2.215,56 6.007,57 7.766,58 3.785,59 43.14,60 1.599,61 1.69,62 3.886,63 0.233,64 42,65 4.652,66 0.821,67 1,68 1.577,69 18.214,70 4.482,71 5}
{0 CHEMBL1998953,6 4,7 38.934,10 1,11 1,12 10.897,14 0.825,15 3.911,16 1.789,17 11.576,18 2,19 6,20 1.872,21 1.842,22 3.84,23 8.364,24 10.114,25 1,26 18,27 8.368,28 3.89,29 1.887,30 4.751,31 3.091,32 0.379,33 0.239,34 3.742,35 0.156,36 1.789,37 3.743,38 1.418,39 4.817,40 1.2,41 3,42 3.116,43 1.504,44 0.559,45 1.306,46 9.709,47 6.088,48 2,49 7.351,50 0.889,51 0.102,52 1.992,53 4.514,54 1.429,55 2.574,56 9.032,57 7.479,58 3.774,59 43.9,60 0.066,61 0.043,62 3.906,63 -0.338,64 42,65 4.803,66 0.808,68 1.572,69 21.234,70 4.575,71 5.4}
{0 CHEMBL1999112,4 -0.872,6 3,7 80.498,8 1,10 2,11 2,12 7.272,14 0.666,15 3.668,16 1.635,17 7.765,18 1,19 5,20 1.733,21 1.642,22 3.899,23 6.527,24 8.596,26 15,27 5.724,28 3.904,29 1.729,30 3.62,31 3.375,32 5.608,33 7.731,34 3.765,35 9.948,36 1.722,37 3.779,38 1.454,39 4.721,40 6.301,41 3,42 3.362,43 1.692,44 0.337,45 1.375,46 8.07,47 6.891,48 5,49 8.374,50 0.844,51 12.206,52 1.764,53 4.521,54 1.585,55 2.61,56 8.378,57 8.594,58 3.932,59 48.953,60 14.483,61 16.769,62 4.003,63 0.296,64 47,65 4.768,66 1.067,67 1,68 1.629,69 19.834,70 4.595,71 5}
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{0 CHEMBL1999321,1 2,2 1,6 2,7 40.746,10 2,11 2,12 11.055,13 1,14 0.901,15 4.047,16 1.86,17 10.803,18 3,19 5,20 1.95,21 1.883,22 3.932,23 7.893,24 10.611,25 2,26 19,27 8.16,28 3.953,29 1.935,30 4.87,31 3.667,32 0.787,33 0.602,34 3.821,35 0.471,36 1.955,37 3.838,38 1.736,39 4.87,40 1.72,41 4,42 3.682,43 1.544,44 0.233,45 1.181,46 9.647,47 7.46,48 8,49 8.997,50 1.013,51 0.367,52 2.007,53 4.57,54 1.61,55 2.793,56 8.521,57 9.156,58 3.979,59 53.445,60 0.283,61 0.217,62 4.081,63 0.194,64 51,65 4.843,66 0.821,67 2,68 1.816,69 21.957,70 4.679,71 5}
{0 CHEMBL1999414,1 1,6 6,7 103.637,10 5,11 5,12 21.409,14 1.05,15 4.602,16 1.884,17 18.776,18 7,19 13,20 1.979,21 1.913,22 3.935,23 15.183,24 22.269,25 1,26 34,27 15.83,28 3.969,29 1.968,30 8.728,31 3.59,32 2.65,33 3.357,34 3.861,35 4.206,36 1.984,37 3.858,38 1.732,39 5.327,40 2.912,41 3,42 3.589,43 1.51,44 0.869,45 1.725,46 19.555,47 10.278,48 10,49 12.278,50 1.131,51 5.133,52 2.016,53 5.058,54 1.761,55 4.521,56 16.797,57 12.743,58 4.35,59 81.141,60 6.1,61 7.087,62 4.484,63 2.188,64 75,65 5.432,66 1.222,68 1.876,69 46.556,70 5.11,71 6.4}
{0 CHEMBL1999428,1 2,3 1,4 -0.024,6 3,7 44.931,8 1,10 1,11 1,12 11.065,14 0.821,15 3.988,16 1.889,17 10.777,18 3,19 10,20 1.849,21 1.919,22 3.915,23 8.009,24 11.26,25 2,26 18,27 7.877,28 3.948,29 1.85,30 4.832,31 3.305,32 1.343,33 1.438,34 3.855,35 1.555,36 1.839,37 3.848,38 1.458,39 4.722,40 2.162,41 3,42 3.306,43 1.51,44 0.218,45 1.181,46 10.054,47 6.143,48 4,49 7.333,50 0.871,51 1.679,52 2.02,53 4.415,54 1.315,55 2.418,56 6.623,57 7.552,58 3.786,59 45.528,60 1.807,61 1.939,62 3.901,63 -0.412,64 43,65 4.767,66 0.821,68 1.722,69 20.581,70 4.519,71 7.4}
{0 CHEMBL1999484,1 1,2 1,7 70.23,10 3,11 3,12 13.744,13 1,14 0.825,15 4.088,16 1.752,17 12.175,18 3,19 4,20 1.853,21 1.787,22 3.913,23 9.658,24 12.982,25 1,26 23,27 11.015,28 3.95,29 1.844,30 5.736,31 3.494,32 0.479,33 0.258,34 3.846,35 0.16,36 1.839,37 3.828,38 1.479,39 4.972,40 1.2,41 4,42 3.495,43 1.488,44 0.684,45 1.513,46 12.275,47 7.202,48 5,49 8.655,50 0.953,51 0.103,52 1.946,53 4.751,54 1.631,55 2.963,56 8.863,57 8.972,58 4.019,59 56.73,60 0.067,61 0.043,62 4.159,63 0.981,64 53,65 4.962,66 0.914,67 1,68 1.707,69 31.752,70 4.737,71 7}
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{0 CHEMBL1999556,1 2,7 50.992,10 2,11 2,12 5.894,14 0.269,15 3.162,16 1.708,17 5.816,20 1.68,21 1.734,22 3.827,23 4.401,24 5.775,25 2,26 10,27 4.067,28 3.85,29 1.696,30 2.498,31 2.922,32 1.045,33 1.019,34 3.796,35 0.993,36 1.538,37 3.77,38 0.987,39 4.205,40 1.96,41 2,42 2.902,43 1.546,44 0.02,45 1.132,46 4.824,47 4.406,48 2,49 5.314,50 0.685,51 0.967,52 1.836,53 3.993,54 1.107,55 1.536,56 2.539,57 5.514,58 3.456,59 30.787,60 0.942,61 0.917,62 3.547,63 0.374,64 30,65 4.209,66 0.331,68 1.193,69 11.908,70 4.071,71 5.3}
{0 CHEMBL1999590,7 38.64,10 1,11 1,12 7.761,14 0.734,15 3.815,16 1.707,17 7.211,18 1,20 1.721,21 1.758,22 3.901,23 6.252,24 7.286,25 2,26 16,27 7.009,28 3.919,29 1.733,30 3.962,31 3.515,34 3.74,36 1.755,37 3.763,38 1.536,39 4.655,41 4,42 3.531,43 1.482,44 0.417,45 1.381,46 8.015,47 6.489,48 5,49 7.756,50 0.829,52 1.928,53 4.474,54 1.58,55 2.346,56 7.462,57 7.936,58 3.871,59 47.275,62 3.99,63 -0.294,64 45,65 4.663,66 0.816,68 1.687,69 16.704,70 4.456,71 5}
{0 CHEMBL1999714,7 44.847,10 2,11 2,12 7.709,14 0.336,15 3.39,16 1.862,17 6.999,18 5,19 2,20 1.527,21 1.886,22 3.817,23 5.515,24 6.651,26 12,27 5.343,28 3.845,29 1.528,30 3.086,31 3.004,32 1.27,33 1.34,34 3.768,35 1.423,36 1.546,37 3.761,38 1.167,39 4.42,40 2.117,41 1,42 3.013,43 1.554,44 0.174,45 1.101,46 5.2,47 4.436,49 5.306,50 0.623,51 1.51,52 1.984,53 4.103,54 1.154,55 1.674,56 2.652,57 5.472,58 3.483,59 32.282,60 1.599,61 1.69,62 3.599,63 0.353,64 31,65 4.537,66 0.239,68 1.338,69 16.173,70 4.25,71 5}
{0 CHEMBL1999718,1 2,7 95.079,10 2,11 2,12 5.661,14 0.297,15 3.308,16 1.808,17 5.129,18 3,19 5,20 1.685,21 1.843,22 3.895,23 4.081,24 5.038,25 2,26 10,27 3,28 3.935,29 1.721,30 2.337,31 3.153,32 5.6,33 8.109,34 3.781,35 10.748,36 1.638,37 3.793,38 1.27,39 4.558,40 5.86,41 2,42 3.204,43 1.59,44 0.09,45 1.118,46 4.427,47 5.796,48 2,49 7.04,50 0.706,51 13.42,52 1.967,53 4.341,54 1.254,55 1.932,56 3.807,57 7.105,58 3.734,59 41.381,60 16.101,61 18.783,62 3.834,63 0.365,64 38,65 4.654,66 0.637,68 1.38,69 13.724,70 4.399,71 5}
{0 CHEMBL1999749,4 1.937,6 3,7 38.215,8 3,10 2,11 2,12 21.601,14 1.052,15 4.736,16 1.892,17 19.714,18 4,19 9,20 1.978,21 1.911,22 4.044,23 14.343,24 20.585,25 1,26 32,27 14.716,28 4.085,29 1.974,30 8.556,31 3.792,32 1.434,33 1.203,34 3.947,35 1.011,36 1.979,37 3.945,38 1.813,39 5.357,40 1.776,41 5,42 3.79,43 1.517,44 1.014,45 1.591,46 20.608,47 11.178,48 9,49 13.55,50 1.086,51 0.845,52 2.017,53 5.08,54 1.782,55 4.314,56 17.765,57 13.864,58 4.403,59 81.434,60 0.702,61 0.579,62 4.51,63 0.064,64 79,65 5.46,66 1.189,68 1.921,69 41.849,70 5.168,71 5}
{0 CHEMBL1999774,1 1,4 0.402,6 2,7 59.621,8 1,10 4,11 4,12 11.115,14 0.702,15 3.521,16 1.619,17 10.338,18 4,19 2,20 1.736,21 1.681,22 3.849,23 7.624,24 9.561,25 1,26 17,27 7.263,28 3.906,29 1.751,30 4.115,31 3.025,32 2.301,33 2.937,34 3.708,35 3.623,36 1.702,37 3.708,38 1.377,39 4.802,40 2.873,41 2,42 3.031,43 1.58,44 0.349,45 1.269,46 9.061,47 5.772,48 3,49 7.014,50 0.98,51 4.331,52 1.885,53 4.513,54 1.417,55 2.332,56 7.465,57 7.209,58 3.817,59 45.472,60 5.048,61 5.769,62 3.929,63 1.908,64 42,65 4.948,66 0.649,68 1.627,69 30.176,70 4.617,71 5}
{0 CHEMBL1999811,7 56.85,10 4,11 4,12 5.731,14 0.276,15 3.168,16 1.866,17 4.985,18 5,19 2,20 1.633,21 1.883,22 3.921,23 4.114,24 4.196,25 1,26 11,27 4.937,28 3.94,29 1.69,30 2.234,31 3.16,32 2.344,33 3.143,34 3.84,35 4.023,36 1.476,37 3.845,38 1.138,39 4.442,40 2.86,41 2,42 3.112,43 1.513,44 0.15,45 1.075,46 3.063,47 5.205,48 3,49 6.261,50 0.365,51 4.946,52 1.979,53 4.184,54 1.173,55 1.717,56 2.624,57 6.408,58 3.69,59 38.285,60 5.892,61 6.852,62 3.782,63 1.951,64 36,65 4.49,66 0.573,67 1,68 1.266,69 15.418,70 4.291,71 5.6}
{0 CHEMBL1999918,1 2,7 50.992,10 2,11 2,12 4.305,14 0.227,15 2.748,16 1.704,17 4.26,19 1,20 1.68,21 1.719,22 3.853,23 3.074,24 4.523,25 2,26 7,27 1.759,28 3.863,29 1.695,30 1.646,31 2.974,32 1.045,33 1.019,34 3.826,35 0.993,36 1.537,37 3.799,38 0.977,39 4.239,40 1.96,41 2,42 2.938,43 1.627,45 0.962,46 3.539,47 4.586,48 2,49 5.618,50 0.685,51 0.967,52 1.806,53 4.012,54 1.055,55 1.497,56 2.418,57 5.828,58 3.495,59 31.308,60 0.942,61 0.917,62 3.562,63 0.425,64 30,65 4.243,66 0.33,68 1.189,69 16.821,70 4.157,71 5.7}
{0 CHEMBL1999931,7 45.785,10 2,11 2,12 10.253,14 0.76,15 4.054,16 1.883,17 10.453,18 3,19 16,20 1.984,21 1.913,22 3.95,23 7.699,24 8.587,26 18,27 7.871,28 4.001,29 1.974,30 4.602,31 3.567,32 1.297,33 1.348,34 3.856,35 1.425,36 2,37 3.854,38 1.464,39 4.876,40 2.117,41 4,42 3.605,43 1.527,44 0.432,45 1.337,46 7.709,47 7.697,48 5,49 9.264,50 1.072,51 1.51,52 2.016,53 4.61,54 1.67,55 2.751,56 8.422,57 9.437,58 4.003,59 53.69,60 1.599,61 1.69,62 4.122,63 0.21,64 52,65 4.947,66 0.821,67 4,68 1.618,69 23.17,70 4.685,71 6.5}
{0 CHEMBL2000029,7 32.127,10 3,11 3,12 12.258,14 0.749,15 4.204,16 1.89,17 11.529,18 3,19 21,20 1.983,21 1.917,22 3.998,23 9.033,24 11.72,26 20,27 9.169,28 4.044,29 1.966,30 5.205,31 3.512,32 0.138,33 0.039,34 3.899,35 0.011,36 2,37 3.904,38 1.419,39 4.878,40 1.043,41 4,42 3.544,43 1.516,44 0.49,45 1.492,46 11.668,47 7.616,48 4,49 9.138,50 1.122,51 0.003,52 2.013,53 4.645,54 1.625,55 2.831,56 14.804,57 9.387,58 4.012,59 54.896,60 0.001,62 4.142,63 0.857,64 53,65 5.034,66 0.861,67 4,68 1.577,69 25.252,70 4.691,71 8.4}
{0 CHEMBL2000071,7 31.76,10 3,11 3,12 8.216,14 0.593,15 3.628,16 1.731,17 8.979,18 5,19 2,20 1.817,21 1.777,22 3.819,23 6.783,24 8.07,25 1,26 16,27 7.411,28 3.858,29 1.813,30 3.963,31 3.091,32 0.05,33 0.008,34 3.727,35 0.001,36 1.778,37 3.73,38 1.418,39 4.622,40 0.8,41 2,42 3.117,43 1.47,44 0.218,45 1.181,46 7.701,47 5.34,48 5,49 6.428,50 0.874,52 1.946,53 4.357,54 1.342,55 2.111,56 6.834,57 6.529,58 3.696,59 40.694,62 3.825,63 1.103,64 38,65 4.583,66 0.598,68 1.573,69 17.005,70 4.391,71 5.4}
{0 CHEMBL2000078,1 1,6 3,7 83.116,10 2,11 2,12 19.973,14 1.023,15 4.689,16 1.888,17 18.412,18 4,19 11,20 1.997,21 1.92,22 3.964,23 14.378,24 21.031,25 1,26 33,27 14.973,28 4.004,29 1.991,30 8.516,31 3.794,32 3.215,33 4.337,34 3.874,35 5.606,36 1.993,37 3.869,38 1.772,39 5.425,40 3.497,41 6,42 3.785,43 1.517,44 0.9,45 1.782,46 22.229,47 12.138,48 10,49 14.729,50 1.129,51 6.928,52 2.036,53 5.167,54 1.836,55 4.831,56 19.38,57 15.1,58 4.486,59 88.434,60 8.274,61 9.631,62 4.596,63 0.105,64 85,65 5.435,66 1.367,67 2,68 1.872,69 38.493,70 5.229,71 5.4}
{0 CHEMBL2000104,1 2,6 3,7 60.717,10 2,11 2,12 7.882,14 0.685,15 3.407,16 1.841,17 8.589,19 1,20 1.739,21 1.835,22 4.015,23 6.909,24 8.871,25 2,26 14,27 7.238,28 3.989,29 1.706,30 3.71,31 3.272,32 5.039,33 7.186,34 4.045,35 9.348,36 1.761,37 3.942,38 1.533,39 4.568,40 5.9,41 2,42 3.283,43 1.634,44 0.218,45 1.181,46 8.425,47 5.508,48 4,49 6.665,50 0.893,51 11.511,52 1.944,53 4.33,54 1.347,55 2.161,56 4.123,57 7.076,58 3.725,59 40.956,60 13.675,61 15.838,62 3.798,63 0.364,64 39,65 4.612,66 0.814,68 1.538,69 19.325,70 4.447,71 5.4}
{0 CHEMBL2000114,7 31.76,10 3,11 3,12 6.151,14 0.523,15 3.151,16 1.521,17 6.596,18 4,20 1.679,21 1.585,22 3.639,23 5.856,24 6.452,25 1,26 14,27 6.762,28 3.709,29 1.664,30 3.368,31 2.976,32 5.027,33 7.185,34 3.453,35 9.348,36 1.601,37 3.446,38 1.151,39 4.353,40 5.9,41 1,42 2.949,43 1.613,44 0.037,45 1.037,46 5.756,47 4.046,48 5,49 4.848,50 0.7,51 11.511,52 1.817,53 4.197,54 1.329,55 1.646,56 4.435,57 5.089,58 3.513,59 34.199,60 13.675,61 15.838,62 3.644,63 1.372,64 31,65 4.331,66 0.015,68 1.48,69 16.413,70 4.127,71 5}
{0 CHEMBL2000271,1 2,4 0.26,7 87.857,8 1,10 3,11 3,12 15.6,14 0.91,15 4.271,16 1.901,17 14.199,18 3,19 9,20 1.875,21 1.931,22 3.939,23 10.738,24 14.779,25 2,26 24,27 11.032,28 3.974,29 1.875,30 6.328,31 3.496,32 0.739,33 0.593,34 3.873,35 0.469,36 1.876,37 3.865,38 1.621,39 4.994,40 1.72,41 3,42 3.489,43 1.491,44 0.514,45 1.413,46 13.568,47 7.627,48 7,49 9.142,50 1.023,51 0.366,52 2.036,53 4.717,54 1.741,55 3.039,56 11.946,57 9.401,58 4.041,59 58.355,60 0.283,61 0.217,62 4.168,63 0.847,64 55,65 5.143,66 0.853,67 2,68 1.81,69 30.619,70 4.789,71 8.2}
{0 CHEMBL2000335,7 62.607,10 4,11 4,12 12.688,14 0.631,15 3.927,16 1.906,17 9.86,18 5,19 10,20 1.886,21 1.932,22 3.954,23 8.745,24 12.764,25 1,26 19,27 8.553,28 3.986,29 1.904,30 4.751,31 3.21,32 2.415,33 3.244,34 3.889,35 4.156,36 1.789,37 3.885,38 1.398,39 4.775,40 2.912,41 3,42 3.248,43 1.538,44 0.58,45 1.389,46 8.485,47 6.995,48 3,49 8.356,50 0.872,51 5.111,52 2.02,53 4.577,54 1.476,55 2.601,56 8.334,57 8.732,58 3.959,59 52.527,60 6.091,61 7.083,62 4.078,63 1.662,64 50,65 4.94,66 0.821,68 1.568,69 25.565,70 4.612,71 6.9}
{0 CHEMBL2000345,7 61.142,10 2,11 2,12 8.73,14 0.608,15 3.556,16 1.9,17 7.067,18 3,19 7,20 1.737,21 1.91,22 3.925,23 6.049,24 7.844,26 14,27 3.887,28 3.934,29 1.764,30 3.376,31 3.17,32 3.594,33 4.968,34 3.879,35 6.379,36 1.669,37 3.87,38 1.261,39 4.512,40 4.069,41 2,42 3.18,43 1.638,44 0.242,45 1.226,46 5.973,47 5.7,48 3,49 6.822,50 0.713,51 7.797,52 1.983,53 4.337,54 1.482,55 2.076,56 5.084,57 7.118,58 3.752,59 42.247,60 9.217,61 10.638,62 3.842,63 0.296,64 40,65 4.669,66 0.724,67 1,68 1.56,69 26.818,70 4.384,71 5.3}
{0 CHEMBL2000354,7 34.796,10 2,11 2,12 7.08,14 0.545,15 3.501,16 1.854,17 7.052,18 2,19 7,20 1.62,21 1.884,22 3.887,23 5.758,24 7.212,26 14,27 5.92,28 3.914,29 1.656,30 3.489,31 3.044,32 5.8,33 8.334,34 3.818,35 10.885,36 1.593,37 3.815,38 1.267,39 4.473,40 7.134,41 3,42 3.06,43 1.6,44 0.218,45 1.181,46 6.926,47 5.505,48 3,49 6.597,50 0.64,51 13.438,52 1.988,53 4.283,54 1.407,55 1.956,56 4.513,57 6.841,58 3.732,59 41.036,60 15.994,61 18.553,62 3.814,63 0.321,64 39,65 4.466,66 0.781,67 1,68 1.475,69 15.359,70 4.333,71 5.1}
{0 CHEMBL2000393,1 1,3 1,4 -0.458,7 51.87,8 1,10 1,11 1,12 7.783,14 0.806,15 3.668,16 1.888,17 8.339,19 2,20 1.87,21 1.914,22 4.006,23 6.063,24 8.223,25 2,26 14,27 5.047,28 4.036,29 1.898,30 3.367,31 3.358,32 2.632,33 3.438,34 3.899,35 4.39,36 1.779,37 3.91,38 1.514,39 4.939,40 2.981,41 3,42 3.36,43 1.598,44 0.482,45 1.343,46 8.09,47 7.594,48 2,49 9.338,50 0.919,51 5.404,52 2.017,53 4.663,54 1.556,55 2.696,56 6.179,57 9.405,58 3.998,59 51.164,60 6.445,61 7.499,62 4.095,63 -0.265,64 50,65 4.977,66 0.843,67 1,68 1.724,69 19.242,70 4.774,71 5.3}
{0 CHEMBL2000408,1 1,7 62.382,10 2,11 2,12 15.143,14 0.836,15 4.136,16 1.839,17 12.564,18 2,19 3,20 1.971,21 1.876,22 3.869,23 10.495,24 13.838,25 1,26 24,27 10.538,28 3.904,29 1.968,30 6.087,31 3.582,32 0.05,33 0.008,34 3.769,35 0.001,36 1.957,37 3.78,38 1.697,39 5.084,40 0.8,41 3,42 3.588,43 1.563,44 0.564,45 1.439,46 13.466,47 8.046,48 6,49 9.622,50 1.051,52 1.991,53 4.844,54 1.572,55 3.227,56 15.951,57 10.005,58 4.133,59 64.031,62 4.258,63 0.239,64 59,65 5.355,66 0.95,68 1.813,69 39.647,70 4.896,71 5}
{0 CHEMBL2000429,1 2,3 1,4 -0.158,6 6,7 65.916,8 1,10 2,11 2,12 15.965,14 0.97,15 4.196,16 1.81,17 13.873,18 2,19 5,20 1.971,21 1.849,22 3.865,23 11.101,24 13.093,25 2,26 26,27 11.47,28 3.902,29 1.968,30 6.534,31 3.569,32 0.763,33 0.597,34 3.757,35 0.47,36 1.928,37 3.771,38 1.688,39 5.173,40 1.72,41 3,42 3.581,43 1.554,44 0.549,45 1.417,46 13.223,47 8.597,48 8,49 10.288,50 1.061,51 0.367,52 1.98,53 4.915,54 1.801,55 3.535,56 15.608,57 10.648,58 4.203,59 68.655,60 0.283,61 0.217,62 4.324,63 0.235,64 63,65 5.388,66 0.836,68 1.865,69 41.289,70 4.983,71 5}
{0 CHEMBL2000433,2 1,6 3,7 76.178,10 2,11 2,12 7.981,14 0.597,15 3.68,16 1.83,17 7.62,18 2,19 2,20 1.806,21 1.858,22 3.75,23 6.483,24 6.829,26 15,27 6.842,28 3.788,29 1.79,30 3.753,31 3.097,32 3.563,33 4.962,34 3.683,35 6.378,36 1.834,37 3.68,38 1.235,39 4.58,40 4.069,41 1,42 3.106,43 1.628,44 0.192,45 1.151,46 8.059,47 5.271,48 3,49 6.271,50 0.981,51 7.797,52 1.958,53 4.349,54 1.364,55 2.217,56 7.974,57 6.475,58 3.665,59 39.568,60 9.217,61 10.638,62 3.802,63 0.361,64 37,65 4.623,66 0.59,67 1,68 1.516,69 17.034,70 4.361,71 5}
{0 CHEMBL2000481,2 1,7 106.076,10 5,11 5,12 11.736,14 1.012,15 3.998,16 1.962,17 12.992,18 4,19 4,20 1.94,21 1.966,22 4.019,23 9.303,24 11.306,26 21,27 11.359,28 4.027,29 1.93,30 5.221,31 3.603,32 1.677,33 1.719,34 3.956,35 1.766,36 1.94,37 3.945,38 1.607,39 5.041,40 2.117,41 3,42 3.552,43 1.583,44 0.436,45 1.313,46 12.045,47 8.109,48 7,49 9.78,50 1.039,51 1.817,52 2.065,53 4.726,54 1.593,55 2.975,56 10.261,57 10.074,58 4.106,59 60.571,60 1.874,61 1.935,62 4.209,63 2.371,64 57,65 5.09,66 0.968,68 1.813,69 31.702,70 4.869,71 7}
{0 CHEMBL2000508,1 2,7 22.138,12 5.015,14 0.535,15 3.289,16 1.791,17 5.76,20 1.674,21 1.824,22 3.852,23 3.977,24 5.321,25 2,26 10,27 3.543,28 3.881,29 1.703,30 2.556,31 3.109,34 3.787,36 1.6,37 3.776,38 1.361,39 4.366,41 3,42 3.087,43 1.532,44 0.218,45 1.181,46 6.644,47 5.155,48 2,49 6.252,50 0.673,52 1.938,53 4.162,54 1.258,55 1.776,56 5.343,57 6.443,58 3.588,59 34.415,62 3.676,63 -0.75,64 34,65 4.329,66 0.609,68 1.249,69 9.906,70 4.201,71 5}
{0 CHEMBL2000568,1 1,7 36.373,10 1,11 1,12 6.705,14 0.608,15 3.454,16 1.748,17 6.555,18 2,19 1,20 1.687,21 1.774,22 3.899,23 5.402,24 7.138,25 1,26 12,27 5.169,28 3.926,29 1.693,30 3.15,31 3.139,32 1.845,33 2.271,34 3.818,35 2.72,36 1.65,37 3.822,38 1.377,39 4.335,40 2.555,41 2,42 3.138,43 1.551,44 0.174,45 1.1,46 5.342,47 4.636,48 2,49 5.558,50 0.688,51 3.184,52 1.888,53 4.122,54 1.193,55 1.742,56 4.12,57 5.736,58 3.509,59 33.282,60 3.658,61 4.138,62 3.617,63 -0.334,64 32,65 4.338,66 0.42,68 1.637,69 12.592,70 4.166,71 5.6}
{0 CHEMBL2000685,7 467.804,10 18,11 18,12 20.563,14 0.791,15 4.891,16 1.922,17 16.373,18 6,19 16,20 1.979,21 1.946,22 3.962,23 16.097,24 22.505,26 40,27 18.62,28 3.993,29 1.975,30 8.878,31 3.405,32 2.722,33 2.701,34 3.894,35 2.744,36 1.988,37 3.896,38 1.537,39 5.449,40 2.13,41 3,42 3.431,43 1.522,44 0.677,45 1.635,46 23.327,47 12.128,48 12,49 14.336,50 1.095,51 2.822,52 2.038,53 5.209,54 1.778,55 4.491,56 27.158,57 14.841,58 4.611,59 105.955,60 2.92,61 3.029,62 4.775,63 13.493,64 94,65 5.597,66 1.232,68 1.734,69 46.578,70 5.249,71 6.9}
{0 CHEMBL2000801,1 1,7 52.828,10 2,11 2,12 8.775,14 0.42,15 3.56,16 1.874,17 7.925,18 4,19 6,20 1.873,21 1.896,22 3.956,23 5.863,24 8.058,25 1,26 13,27 4.182,28 3.982,29 1.864,30 3.287,31 3.239,32 5.464,33 8.065,34 3.859,35 10.736,36 1.876,37 3.868,38 1.292,39 4.748,40 5.335,41 3,42 3.238,43 1.54,44 0.271,45 1.205,46 7.631,47 6.925,48 3,49 8.438,50 0.99,51 13.417,52 1.998,53 4.51,54 1.406,55 2.361,56 5.398,57 8.6,58 3.908,59 48.89,60 16.1,61 18.783,62 3.996,63 0.276,64 46,65 4.865,66 0.821,68 1.388,69 19.109,70 4.598,71 5}
{0 CHEMBL2000832,7 56.138,10 4,11 4,12 14.193,14 0.953,15 4.232,16 1.898,17 12.907,18 8,19 9,20 1.978,21 1.923,22 3.937,23 9.605,24 15.377,26 22,27 9.346,28 3.962,29 1.976,30 5.537,31 3.684,32 2.013,33 2.059,34 3.864,35 2.138,36 1.976,37 3.866,38 1.761,39 5.1,40 2.162,41 3,42 3.688,43 1.565,44 0.574,45 1.548,46 13.652,47 8.92,48 5,49 10.779,50 1.097,51 2.233,52 2.028,53 4.785,54 1.599,55 3.204,56 12.488,57 11.012,58 4.183,59 64.824,60 2.339,61 2.452,62 4.28,63 1.467,64 62,65 5.23,66 1.017,67 2,68 1.853,69 30.727,70 4.952,71 5.3}
{0 CHEMBL2000879,1 1,4 0.677,7 33.314,8 1,10 1,11 1,12 9.463,14 0.578,15 3.566,16 1.708,17 9.436,18 2,20 1.597,21 1.746,22 3.847,23 6.892,24 8.387,25 1,26 14,27 6.474,28 3.888,29 1.635,30 3.865,31 2.936,34 3.746,36 1.532,37 3.75,38 1.149,39 4.516,41 2,42 2.914,43 1.488,44 0.179,45 1.181,46 5.997,47 4.42,48 1,49 5.343,50 0.757,52 1.878,53 4.183,54 1.247,55 1.853,56 1.761,57 5.462,58 3.466,59 32.488,62 3.597,63 -0.33,64 31,65 4.593,66 0.062,68 1.347,69 17.05,70 4.281,71 5.1}
{0 CHEMBL2000894,1 2,7 47.933,10 4,11 4,12 11.526,14 0.656,15 3.956,16 1.865,17 10.083,18 3,19 6,20 1.877,21 1.888,22 3.897,23 7.57,24 13.119,25 2,26 18,27 7.854,28 3.925,29 1.887,30 4.439,31 3.428,32 1.195,33 1.112,34 3.831,35 1.054,36 1.855,37 3.83,38 1.507,39 4.827,40 1.96,41 3,42 3.445,43 1.587,44 0.24,45 1.339,46 13.173,47 7.125,48 3,49 8.572,50 0.914,51 1.007,52 1.986,53 4.558,54 1.468,55 2.565,56 10.856,57 8.79,58 3.97,59 52.528,60 0.969,61 0.935,62 4.079,63 1.629,64 50,65 4.97,66 0.821,68 1.618,69 23.083,70 4.683,71 7.3}
{0 CHEMBL2000934,1 1,7 69.089,10 2,11 2,12 8.472,14 0.609,15 3.571,16 1.802,17 8.157,18 3,19 5,20 1.784,21 1.838,22 3.909,23 6.716,24 8.299,25 1,26 15,27 5.749,28 3.949,29 1.766,30 3.767,31 3.181,32 5.464,33 8.065,34 3.773,35 10.736,36 1.82,37 3.79,38 1.329,39 4.733,40 5.335,41 2,42 3.218,43 1.512,44 0.247,45 1.184,46 6.636,47 6.286,48 3,49 7.591,50 0.962,51 13.417,52 1.974,53 4.507,54 1.451,55 2.456,56 6.432,57 7.71,58 3.837,59 47.128,60 16.1,61 18.783,62 3.951,63 0.327,64 43,65 4.749,66 0.619,68 1.557,69 17.769,70 4.539,71 5.4}
{0 CHEMBL2001019,1 3,7 41.523,10 1,11 1,12 9,14 0.819,15 3.834,16 1.782,17 8.63,19 2,20 1.847,21 1.823,22 4.022,23 6.246,24 8.089,25 3,26 16,27 6.993,28 4.06,29 1.868,30 3.952,31 3.399,32 0.138,33 0.039,34 3.87,35 0.011,36 1.798,37 3.901,38 1.537,39 4.814,40 1.043,41 3,42 3.398,43 1.509,44 0.442,45 1.383,46 6.792,47 7.043,48 5,49 8.548,50 0.949,51 0.003,52 1.962,53 4.597,54 1.488,55 2.549,56 5.702,57 8.674,58 3.945,59 49.857,60 0.001,62 4.065,63 -0.252,64 48,65 4.833,66 0.895,67 1,68 1.699,69 19.486,70 4.61,71 5.4}
{0 CHEMBL2001149,7 42.515,10 4,11 4,12 11.024,14 1.056,15 4.064,16 1.879,17 10.652,18 8,19 5,20 1.991,21 1.903,22 4.099,23 7.793,24 10.651,26 18,27 7.819,28 4.138,29 1.984,30 4.354,31 3.744,32 5.027,33 7.185,34 3.982,35 9.348,36 1.978,37 3.999,38 1.858,39 4.922,40 5.9,41 4,42 3.738,43 1.602,44 0.425,45 1.405,46 10.141,47 8.309,48 4,49 10.079,50 1.084,51 11.511,52 2.005,53 4.629,54 1.544,55 2.883,56 8.826,57 10.346,58 4.077,59 56.238,60 13.675,61 15.838,62 4.167,63 1.513,64 56,65 4.959,66 0.907,68 1.955,69 26.427,70 4.768,71 5.9}
{0 CHEMBL2001224,1 2,3 1,4 0.156,6 4,7 106.896,8 1,10 2,11 2,12 10.145,14 0.755,15 3.721,16 1.715,17 10.549,18 1,19 2,20 1.793,21 1.762,22 3.856,23 8.27,24 7.902,25 2,26 18,27 7.287,28 3.907,29 1.751,30 4.467,31 3.209,32 3.841,33 5.126,34 3.711,35 6.48,36 1.829,37 3.713,38 1.547,39 4.89,40 4.069,41 3,42 3.252,43 1.598,44 0.265,45 1.334,46 8.955,47 6.658,48 4,49 8.021,50 1.109,51 7.863,52 1.924,53 4.579,54 1.584,55 2.729,56 10.491,57 8.232,58 3.891,59 49.761,60 9.26,61 10.666,62 4.004,63 0.327,64 46,65 4.822,66 0.804,68 1.789,69 28.143,70 4.685,71 5}
{0 CHEMBL2001228,1 1,7 67.164,10 2,11 2,12 15.594,14 1.022,15 4.315,16 1.885,17 14.581,18 4,19 8,20 1.971,21 1.918,22 3.963,23 10.595,24 15.843,25 1,26 25,27 9.643,28 4.003,29 1.981,30 6.233,31 3.791,32 1.632,33 1.589,34 3.87,35 1.592,36 1.962,37 3.869,38 1.769,39 5.295,40 2.117,41 6,42 3.775,43 1.548,44 0.825,45 1.589,46 16.478,47 11.039,48 7,49 13.465,50 1.054,51 1.624,52 2.024,53 5.022,54 1.834,55 4.048,56 15.05,57 13.782,58 4.373,59 77.263,60 1.676,61 1.742,62 4.474,63 0.149,64 75,65 5.316,66 1.195,67 2,68 1.869,69 35.386,70 5.115,71 5.4}
{0 CHEMBL2001239,7 58.303,10 5,11 5,12 8.703,14 0.489,15 3.423,16 1.755,17 7.593,18 5,19 1,20 1.845,21 1.783,22 3.824,23 5.749,24 8.47,25 1,26 14,27 4.487,28 3.878,29 1.869,30 3.042,31 3.34,32 5.587,33 8.248,34 3.727,35 10.978,36 1.708,37 3.725,38 1.438,39 4.758,40 5.621,41 3,42 3.405,43 1.533,44 0.218,45 1.19,46 8.705,47 6.605,48 5,49 8.041,50 0.701,51 13.72,52 1.91,53 4.55,54 1.368,55 2.228,56 7.751,57 8.147,58 3.935,59 50.863,60 16.464,61 19.208,62 4.043,63 2.551,64 46,65 4.835,66 0.726,67 5,68 1.559,69 19.204,70 4.608,71 5.7}
{0 CHEMBL2001257,1 1,6 6,7 80.986,10 4,11 4,12 18.808,14 1.006,15 4.486,16 1.884,17 15.76,18 5,19 16,20 1.953,21 1.913,22 3.934,23 13.095,24 18.549,25 1,26 29,27 13.426,28 3.968,29 1.944,30 7.5,31 3.564,32 2.573,33 3.315,34 3.861,35 4.186,36 1.95,37 3.857,38 1.682,39 5.134,40 2.912,41 3,42 3.562,43 1.512,44 0.678,45 1.569,46 14.865,47 9.314,48 6,49 11.093,50 1.131,51 5.124,52 2.014,53 4.914,54 1.638,55 3.979,56 16.008,57 11.573,58 4.234,59 71.603,60 6.096,61 7.085,62 4.362,63 1.463,64 67,65 5.245,66 1.206,68 1.862,69 36.831,70 4.934,71 6.4}
{0 CHEMBL2001288,3 3,4 -4.225,7 12.11,8 4,10 5,11 5,12 6.38,14 0.352,15 2.995,16 1.566,17 6.206,18 1,20 1.722,21 1.6,22 3.8,23 4.331,24 6.965,25 1,26 12,27 1.598,28 3.823,29 1.761,30 2.463,31 3.046,32 1.208,33 1.265,34 3.639,35 1.324,36 1.616,37 3.636,38 1.12,39 4.608,40 2.082,41 2,42 2.982,43 1.591,45 0.988,46 5.475,47 4.533,48 2,49 5.63,50 0.831,51 1.383,52 1.806,53 4.307,54 1.204,55 1.591,56 4.125,57 5.708,58 3.658,59 36.711,60 1.444,61 1.506,62 3.759,63 3.065,64 34,65 4.654,66 0.143,67 2,68 1.255,69 17.816,70 4.455,71 5}
{0 CHEMBL2001398,6 2,7 83.163,10 5,11 5,12 16.897,14 0.784,15 4.13,16 1.795,17 13.695,18 4,19 10,20 1.895,21 1.822,22 3.893,23 10.771,24 12.77,26 24,27 11.032,28 3.922,29 1.896,30 6.131,31 3.252,32 1.37,33 1.275,34 3.806,35 1.193,36 1.885,37 3.812,38 1.359,39 4.941,40 1.96,41 2,42 3.279,43 1.559,44 0.469,45 1.417,46 11.186,47 6.825,48 6,49 8.099,50 1.01,51 1.123,52 1.986,53 4.684,54 1.526,55 2.822,56 13.391,57 8.454,58 3.995,59 56.564,60 1.062,61 1.01,62 4.13,63 2.52,64 52,65 5.242,66 0.821,68 1.582,69 34.125,70 4.761,71 6.2}
{0 CHEMBL2001451,6 4,7 99.774,10 3,11 3,12 24.355,14 1.112,15 4.812,16 1.897,17 21.318,18 5,19 13,20 1.953,21 1.923,22 4.039,23 16.555,24 20.047,26 38,27 17.28,28 4.074,29 1.937,30 9.782,31 3.579,32 2.65,33 3.357,34 3.926,35 4.206,36 1.992,37 3.939,38 1.729,39 5.423,40 2.912,41 3,42 3.572,43 1.544,44 0.707,45 1.675,46 19.72,47 10.67,48 10,49 12.621,50 1.211,51 5.133,52 2.033,53 5.149,54 1.765,55 4.572,56 21.572,57 13.156,58 4.409,59 87.052,60 6.1,61 7.087,62 4.549,63 0.722,64 80,65 5.657,66 1.156,67 1,68 1.971,69 51.143,70 5.208,71 5.8}
{0 CHEMBL2001485,1 2,3 1,4 -0.42,6 3,7 76.668,8 1,10 4,11 4,12 18.869,14 1.035,15 4.462,16 1.884,17 15.45,18 5,19 9,20 1.95,21 1.913,22 3.942,23 12.856,24 18.772,25 2,26 29,27 13.235,28 3.986,29 1.961,30 7.387,31 3.702,32 3.461,33 4.573,34 3.861,35 5.784,36 1.91,37 3.858,38 1.704,39 5.199,40 3.451,41 4,42 3.708,43 1.567,44 0.691,45 1.571,46 16.59,47 9.852,48 6,49 11.76,50 1.089,51 7.052,52 2.015,53 4.991,54 1.708,55 3.807,56 15.943,57 12.288,58 4.319,59 76.394,60 8.355,61 9.681,62 4.444,63 1.453,64 72,65 5.393,66 1.216,67 2,68 1.871,69 42.586,70 5.027,71 6.4}
{0 CHEMBL2001539,1 1,7 30.779,10 1,11 1,12 4.398,14 0.376,15 2.726,16 1.404,17 5.363,18 2,20 1.478,21 1.43,22 3.625,23 4.068,24 3.917,25 1,26 8,27 3.578,28 3.66,29 1.436,30 2.17,31 2.444,34 3.559,36 1.371,37 3.52,38 1.032,39 3.978,41 1,42 2.407,43 1.524,45 0.653,46 1.965,47 3.21,49 3.922,50 0.525,52 1.619,53 3.808,54 1.051,55 1.242,57 4.085,58 3.157,59 22.162,62 3.262,63 -0.164,64 22,65 3.949,68 1.244,69 10.758,70 3.794,71 5.8}
{0 CHEMBL2001547,1 2,6 6,7 62.382,10 2,11 2,12 12.594,14 0.902,15 4.033,16 1.833,17 11.302,18 2,19 2,20 1.943,21 1.873,22 3.867,23 9.523,24 11.518,25 2,26 22,27 9.554,28 3.896,29 1.951,30 5.531,31 3.528,32 0.05,33 0.008,34 3.766,35 0.001,36 1.939,37 3.777,38 1.659,39 5.054,40 0.8,41 3,42 3.528,43 1.544,44 0.54,45 1.417,46 12.069,47 7.836,48 6,49 9.418,50 1.084,52 1.987,53 4.783,54 1.672,55 3.221,56 14.154,57 9.704,58 4.086,59 60.615,62 4.208,63 0.257,64 56,65 5.179,66 0.805,68 1.822,69 31.783,70 4.86,71 5}
{0 CHEMBL2001584,1 1,7 73.179,10 3,11 3,12 25.822,14 0.985,15 4.802,16 1.927,17 21.913,18 6,19 14,20 2.006,21 1.951,22 3.953,23 16.249,24 24.565,25 1,26 37,27 16.686,28 3.982,29 2.015,30 9.569,31 3.629,32 2.518,33 2.668,34 3.893,35 2.871,36 1.969,37 3.889,38 1.719,39 5.461,40 2.293,41 5,42 3.646,43 1.596,44 0.9,45 1.804,46 23.709,47 11.494,48 8,49 13.803,50 1.2,51 3.107,52 2.049,53 5.196,54 1.841,55 4.693,56 19.272,57 14.295,58 4.481,59 91.182,60 3.367,61 3.646,62 4.599,63 0.696,64 85,65 5.681,66 1.138,68 1.881,69 53.647,70 5.283,71 5.4}
{0 CHEMBL2001613,7 18.807,10 2,11 2,12 2.143,15 2.079,16 1.278,17 2.675,18 2,20 1.081,21 1.344,22 3.404,23 1.858,24 1.588,26 5,27 1.348,28 3.454,29 1.091,30 1.026,31 2.285,34 3.257,36 1.039,37 3.248,38 0.731,39 3.635,41 1,42 2.273,43 1.534,45 0.273,46 1.113,47 2.473,49 3.004,50 0.126,52 1.641,53 3.451,54 0.641,55 0.818,57 3.101,58 2.962,59 17.878,62 3.052,63 0.748,64 17,65 3.511,68 0.955,69 10.48,70 3.5,71 4.8}
{0 CHEMBL2001641,1 1,6 6,7 47.894,10 2,11 2,12 7.537,14 0.469,15 3.314,16 1.651,17 6.344,18 4,20 1.608,21 1.692,22 3.879,23 5.446,24 5.023,25 1,26 13,27 6.083,28 3.94,29 1.663,30 3.236,31 3.024,32 0.521,33 0.336,34 3.685,35 0.21,36 1.469,37 3.712,38 1.269,39 4.444,40 1.529,41 2,42 3.033,43 1.537,44 0.202,45 1.153,46 3.444,47 4.462,48 2,49 5.332,50 0.523,51 0.128,52 1.876,53 4.232,54 1.308,55 1.712,56 5.314,57 5.529,58 3.58,59 35.362,60 0.077,61 0.046,62 3.713,63 0.483,64 33,65 4.637,66 0.489,67 1,68 1.421,69 18.507,70 4.266,71 6.1}
{0 CHEMBL2001668,7 24.995,10 1,11 1,12 4.348,14 0.218,15 2.871,16 1.685,17 4.643,19 1,20 1.479,21 1.723,22 3.816,23 3.122,24 3.713,26 8,27 2.313,28 3.852,29 1.479,30 1.74,31 2.986,32 2.344,33 3.143,34 3.826,35 4.023,36 1.445,37 3.723,38 0.911,39 4.179,40 2.86,41 2,42 2.894,43 1.597,45 0.886,46 2.835,47 4.065,48 1,49 4.923,50 0.537,51 4.946,52 1.892,53 3.953,54 1.107,55 1.393,56 3.048,57 5.069,58 3.372,59 27.671,60 5.892,61 6.852,62 3.471,63 -0.198,64 27,65 4.085,68 1.181,69 20.278,70 4.017,71 5}
{0 CHEMBL2001751,1 2,3 1,4 -0.167,6 2,7 92.915,8 1,10 4,11 4,12 16.307,14 0.901,15 4.395,16 1.918,17 14.622,18 7,19 8,20 1.899,21 1.941,22 4.062,23 10.635,24 15.582,25 2,26 24,27 10.735,28 4.083,29 1.9,30 6.13,31 3.652,32 1.527,33 1.53,34 3.991,35 1.557,36 1.889,37 3.996,38 1.673,39 5.133,40 2.117,41 4,42 3.668,43 1.549,44 0.687,45 1.578,46 14.252,47 9.395,48 7,49 11.381,50 1.071,51 1.603,52 2.026,53 4.846,54 1.733,55 3.446,56 13.379,57 11.596,58 4.219,59 66.773,60 1.663,61 1.734,62 4.324,63 1.44,64 65,65 5.214,66 1.139,67 1,68 1.802,69 31.308,70 4.955,71 7.5}
{0 CHEMBL2001920,7 36.022,10 2,11 2,12 2.934,14 0.207,15 2.42,16 1.542,17 3.47,18 4,20 1.46,21 1.543,22 3.686,23 2.034,24 3.031,26 5,27 3.922,28 3.693,29 1.492,30 1.044,31 2.889,32 6.566,33 9.499,34 3.68,35 12.447,36 1.255,37 3.605,38 1.046,39 4.009,40 8.638,41 2,42 2.829,43 1.774,45 0.642,46 2.124,47 3.911,49 4.803,50 0.254,51 15.402,52 1.672,53 3.827,54 1.007,55 1.251,56 1.306,57 5.042,58 3.322,59 24.927,60 18.364,61 21.331,62 3.372,63 0.538,64 25,65 3.913,68 1.082,69 16.64,70 3.94,71 5.3}
{0 CHEMBL2001923,1 2,6 2,7 78.644,10 2,11 2,12 24.05,14 1.175,15 4.723,16 1.902,17 20.221,18 5,19 11,20 2.027,21 1.928,22 4.009,23 14.259,24 25.726,25 2,26 32,27 13.557,28 4.042,29 2.031,30 8.424,31 3.82,32 1.85,33 1.749,34 3.914,35 1.709,36 2.008,37 3.921,38 1.894,39 5.543,40 2.117,41 5,42 3.827,43 1.564,44 0.984,45 1.843,46 24.055,47 12.958,48 8,49 15.863,50 1.194,51 1.708,52 2.043,53 5.222,54 1.91,55 4.929,56 17.588,57 16.102,58 4.536,59 92.367,60 1.736,61 1.783,62 4.64,63 0.067,64 89,65 5.626,66 1.356,67 1,68 1.994,69 45.496,70 5.368,71 5.2}
{0 CHEMBL2001957,1 2,7 60.617,10 2,11 2,12 14.208,14 0.799,15 3.994,16 1.81,17 12.106,18 2,19 1,20 1.974,21 1.851,22 3.855,23 9.25,24 12.016,25 2,26 22,27 8.869,28 3.901,29 1.967,30 5.435,31 3.565,32 4.561,33 6.665,34 3.757,35 8.85,36 1.913,37 3.766,38 1.682,39 5.12,40 4.53,41 3,42 3.578,43 1.552,44 0.548,45 1.417,46 11.657,47 8.335,48 8,49 10.091,50 0.989,51 11.055,52 1.981,53 4.884,54 1.654,55 3.141,56 13.402,57 10.307,58 4.175,59 65.919,60 13.264,61 15.474,62 4.287,63 0.276,64 60,65 5.306,66 0.836,68 1.783,69 37.142,70 4.938,71 5}
{0 CHEMBL2001987,1 1,7 57.729,10 2,11 2,12 4.742,14 0.327,15 3.204,16 1.802,17 4.475,18 3,19 3,20 1.646,21 1.837,22 3.909,23 3.798,24 3.833,25 1,26 9,27 2.143,28 3.95,29 1.679,30 2.168,31 3.127,32 5.464,33 8.065,34 3.773,35 10.736,36 1.617,37 3.79,38 1.249,39 4.589,40 5.335,41 2,42 3.182,43 1.549,44 0.049,45 1.022,46 4.196,47 5.626,48 2,49 6.891,50 0.649,51 13.417,52 1.973,53 4.346,54 1.315,55 1.861,56 3.34,57 6.9,58 3.729,59 40.977,60 16.1,61 18.783,62 3.825,63 0.403,64 37,65 4.577,66 0.603,68 1.372,69 10.402,70 4.426,71 5.4}
{0 CHEMBL2001998,1 1,7 106.733,10 2,11 2,12 17.179,14 1.046,15 4.363,16 1.839,17 16.159,18 2,19 1,20 1.958,21 1.866,22 3.876,23 11.881,24 18.194,25 1,26 27,27 12.353,28 3.946,29 1.962,30 6.922,31 3.49,32 3.883,33 5.152,34 3.779,35 6.502,36 1.941,37 3.786,38 1.546,39 5.227,40 4.069,41 3,42 3.51,43 1.597,44 0.825,45 1.635,46 16.685,47 9.157,48 6,49 11.128,50 1.108,51 7.882,52 1.984,53 4.971,54 1.671,55 3.789,56 12.272,57 11.362,58 4.222,59 69.059,60 9.276,61 10.679,62 4.349,63 0.206,64 65,65 5.332,66 1.064,68 1.8,69 37.143,70 5.016,71 5}
{0 CHEMBL2002099,1 1,3 1,4 0.722,6 1,7 84.432,8 2,10 1,11 1,12 11.607,14 0.853,15 3.904,16 1.726,17 11.904,18 2,19 4,20 1.793,21 1.778,22 3.958,23 8.592,24 11.491,25 2,26 18,27 8.241,28 4.016,29 1.751,30 4.712,31 3.327,32 4.057,33 5.715,34 3.825,35 7.386,36 1.86,37 3.825,38 1.473,39 4.912,40 4.616,41 3,42 3.33,43 1.596,44 0.55,45 1.459,46 9.929,47 6.475,48 4,49 7.841,50 1.022,51 9.058,52 1.943,53 4.579,54 1.585,55 2.704,56 6.355,57 7.965,58 3.83,59 46.481,60 10.731,61 12.404,62 3.964,63 -0.284,64 44,65 4.931,66 0.789,68 1.64,69 24.085,70 4.662,71 6.7}
{0 CHEMBL2002105,1 1,7 28.038,10 3,11 3,12 1.933,15 2.195,16 1.269,17 2.156,18 2,20 1.178,21 1.363,22 3.404,23 1.815,24 1.381,25 1,26 5,27 1.097,28 3.469,29 1.188,30 0.863,31 2.361,34 3.265,36 1.06,37 3.247,38 0.603,39 3.607,41 1,42 2.357,43 1.529,46 1.264,47 2.415,49 2.92,50 0.063,52 1.681,53 3.505,54 0.78,55 0.773,57 3.015,58 2.969,59 18.25,62 3.103,63 1.749,64 17,65 3.556,68 0.955,69 5.537,70 3.444,71 4.2}
{0 CHEMBL2002165,1 2,3 1,4 -0.5,6 3,7 66.824,8 1,10 5,11 5,12 15.066,14 1.041,15 4.132,16 1.853,17 12.557,18 6,19 8,20 1.937,21 1.88,22 3.932,23 10.17,24 13.584,25 2,26 23,27 10.126,28 3.975,29 1.935,30 5.721,31 3.681,32 2.415,33 3.244,34 3.833,35 4.156,36 1.907,37 3.836,38 1.656,39 5.108,40 2.912,41 4,42 3.685,43 1.533,44 0.585,45 1.464,46 12.803,47 8.923,48 6,49 10.778,50 1.053,51 5.111,52 1.988,53 4.822,54 1.593,55 3.284,56 13.429,57 11.097,58 4.201,59 66.405,60 6.091,61 7.083,62 4.315,63 2.272,64 63,65 5.178,66 1.105,67 2,68 1.867,69 32.954,70 4.927,71 6.5}
{0 CHEMBL2002240,7 60.652,10 3,11 3,12 8.935,14 0.659,15 3.685,16 1.815,17 7.172,18 4,19 4,20 1.709,21 1.844,22 3.892,23 6.305,24 7.226,26 14,27 5.945,28 3.928,29 1.717,30 3.447,31 3.292,32 3.961,33 5.291,34 3.79,35 6.657,36 1.709,37 3.804,38 1.42,39 4.574,40 4.069,41 2,42 3.308,43 1.637,44 0.172,45 1.204,46 7.325,47 5.669,48 2,49 6.786,50 0.728,51 8.039,52 1.959,53 4.296,54 1.275,55 2.074,56 6.705,57 6.994,58 3.712,59 41.279,60 9.429,61 10.824,62 3.827,63 0.989,64 39,65 4.637,66 0.627,68 1.61,69 16.019,70 4.405,71 5}
{0 CHEMBL2002322,1 2,7 66.511,10 2,11 2,12 6.064,14 0.308,15 3.103,16 1.742,17 5.074,20 1.68,21 1.761,22 3.903,23 3.856,24 5.567,25 2,26 8,27 0.99,28 3.919,29 1.696,30 2.158,31 3.113,32 6.115,33 8.751,34 3.851,35 11.427,36 1.538,37 3.837,38 1.179,39 4.428,40 5.335,41 2,42 3.179,43 1.553,44 0.024,45 1.143,46 4.823,47 5.43,48 2,49 6.713,50 0.685,51 14.11,52 1.856,53 4.344,54 1.261,55 1.764,56 3.133,57 6.817,58 3.702,59 39.655,60 16.793,61 19.476,62 3.774,63 0.403,64 36,65 4.673,66 0.453,68 1.224,69 14.43,70 4.337,71 5}
{0 CHEMBL2002323,7 13.726,10 2,11 2,12 6.48,14 0.304,15 3.247,16 1.744,17 5.572,20 1.566,21 1.783,22 3.883,23 4.934,24 5.698,26 11,27 4.714,28 3.919,29 1.612,30 2.717,31 2.987,34 3.763,36 1.5,37 3.779,38 1.196,39 4.325,41 2,42 2.983,43 1.557,44 0.003,45 1.021,46 4.639,47 4.409,48 1,49 5.288,50 0.572,52 1.916,53 4.126,54 1.168,55 1.606,56 2.909,57 5.431,58 3.509,59 32.994,62 3.636,63 0.429,64 31,65 4.44,66 0.385,68 1.431,69 13.957,70 4.149,71 5}
{0 CHEMBL2002373,1 2,7 36.01,10 1,11 1,12 9.309,14 0.603,15 3.782,16 1.794,17 9.807,18 1,19 1,20 1.863,21 1.83,22 3.83,23 7.123,24 9.381,25 3,26 17,27 7.698,28 3.866,29 1.857,30 4.407,31 3.294,34 3.753,36 1.872,37 3.751,38 1.253,39 4.654,41 3,42 3.296,43 1.474,44 0.218,45 1.181,46 10.791,47 5.657,48 5,49 6.803,50 0.974,52 1.955,53 4.391,54 1.385,55 2.254,56 9.581,57 6.936,58 3.732,59 42.611,62 3.851,63 -0.338,64 40,65 4.666,66 0.639,68 1.467,69 18.503,70 4.43,71 5}
{0 CHEMBL2002407,7 78.782,10 4,11 4,12 5.745,14 0.364,15 3.28,16 1.639,17 4.859,18 4,20 1.642,21 1.66,22 3.872,23 4.197,24 5.961,26 11,27 4.637,28 3.901,29 1.691,30 2.39,31 2.962,32 4.258,33 5.655,34 3.74,35 7.07,36 1.57,37 3.762,38 1.198,39 4.28,40 4.069,41 2,42 2.973,43 1.715,44 0.113,45 1.088,46 4.844,47 4.678,48 3,49 5.573,50 0.574,51 8.49,52 1.764,53 4.112,54 1.348,55 1.59,56 2.775,57 5.722,58 3.59,59 36.156,60 9.911,61 11.331,62 3.697,63 1.968,64 33,65 4.445,66 0.644,67 1,68 1.496,69 12.204,70 4.151,71 5}
{0 CHEMBL2002446,4 0.786,6 1,7 52.985,8 1,10 1,11 1,12 20.69,14 1.007,15 4.501,16 1.68,17 18.126,18 2,19 11,20 1.775,21 1.752,22 3.911,23 13.948,24 18.396,26 30,27 14.408,28 3.958,29 1.776,30 8.214,31 3.645,32 2.393,33 2.916,34 3.904,35 3.544,36 1.775,37 3.848,38 1.591,39 5.201,40 2.837,41 4,42 3.652,43 1.525,44 0.825,45 1.581,46 17.067,47 9.478,48 6,49 11.525,50 1.041,51 4.214,52 1.946,53 5.012,54 1.621,55 4.008,56 15.198,57 11.925,58 4.246,59 70.52,60 4.9,61 5.593,62 4.367,63 -0.412,64 68,65 5.373,66 1.064,67 1,68 1.723,69 40.384,70 4.989,71 5}
{0 CHEMBL2002470,7 47.97,10 1,11 1,12 10.838,14 0.789,15 3.516,16 1.793,17 11.114,18 2,19 5,20 1.725,21 1.829,22 3.863,23 7.78,24 8.558,26 15,27 5.879,28 3.887,29 1.753,30 4.07,31 3.224,32 3.05,33 4.221,34 3.829,35 5.481,36 1.655,37 3.808,38 1.474,39 4.755,40 3.434,41 2,42 3.188,43 1.563,44 0.514,45 1.177,46 9.765,47 5.943,48 1,49 7.267,50 0.837,51 6.78,52 1.958,53 4.427,54 1.33,55 2.429,56 8.703,57 7.526,58 3.73,59 40.976,60 8.098,61 9.428,62 3.825,63 -0.31,64 40,65 4.704,66 0.767,68 1.545,69 25.695,70 4.576,71 5.1}
{0 CHEMBL2002479,7 86.992,10 4,11 4,12 12.138,14 0.993,15 4.057,16 1.872,17 12.603,18 5,19 8,20 1.901,21 1.887,22 4.034,23 9.485,24 12.346,26 21,27 8.793,28 4.049,29 1.901,30 5.218,31 3.452,32 1.605,33 1.616,34 3.934,35 1.674,36 1.905,37 3.948,38 1.606,39 5.021,40 2.162,41 3,42 3.448,43 1.549,44 0.465,45 1.38,46 11.723,47 8.235,48 7,49 10.016,50 1.065,51 1.758,52 1.971,53 4.749,54 1.628,55 3.136,56 12.727,57 10.21,58 4.101,59 59.302,60 1.859,61 1.973,62 4.205,63 1.57,64 57,65 4.999,66 0.891,68 1.839,69 26.697,70 4.84,71 6.8}
{0 CHEMBL2002553,1 1,7 20.946,10 2,11 2,12 3.001,15 2.313,16 1.368,17 2.114,18 3,20 1.31,21 1.418,22 3.508,23 2.445,24 1.836,25 1,26 6,27 2.254,28 3.521,29 1.373,30 1.243,31 2.595,32 2.253,33 2.922,34 3.368,35 3.619,36 1.102,37 3.366,38 0.754,39 3.767,40 2.873,41 1,42 2.615,43 1.582,45 0.539,46 1.998,47 2.987,48 1,49 3.603,50 0.225,51 4.33,52 1.633,53 3.663,54 0.873,55 1.029,56 0.629,57 3.775,58 3.18,59 22.375,60 5.047,61 5.769,62 3.233,63 0.686,64 21,65 3.876,68 0.961,69 10.385,70 3.685,71 5}
{0 CHEMBL2002586,3 1,4 0.542,6 4,7 40.519,8 1,10 2,11 2,12 11.762,14 0.825,15 3.803,16 1.757,17 10.943,18 4,19 6,20 1.819,21 1.787,22 3.938,23 8.986,24 12.126,26 20,27 8.637,28 3.971,29 1.816,30 5.135,31 3.484,32 0.977,33 0.74,34 3.864,35 0.571,36 1.787,37 3.858,38 1.414,39 4.942,40 1.72,41 4,42 3.495,43 1.523,44 0.755,45 1.513,46 11.889,47 7.25,48 5,49 8.901,50 0.956,51 0.439,52 1.933,53 4.697,54 1.429,55 2.93,56 9.313,57 9.146,58 3.988,59 52.887,60 0.334,61 0.252,62 4.102,63 0.304,64 51,65 4.86,66 0.978,68 1.517,69 25.303,70 4.722,71 5.9}
{0 CHEMBL2002599,1 4,4 1.222,7 87.751,8 2,10 2,11 2,12 13.642,14 0.755,15 3.966,16 1.682,17 12.291,18 2,20 1.805,21 1.738,22 3.915,23 8.74,24 11.917,25 4,26 20,27 9.087,28 3.957,29 1.778,30 5.02,31 3.376,32 2.545,33 3.285,34 3.777,35 4.168,36 1.837,37 3.78,38 1.566,39 5.026,40 2.912,41 3,42 3.384,43 1.544,44 0.575,45 1.407,46 10.407,47 7.395,48 3,49 9.013,50 1.024,51 5.115,52 1.926,53 4.73,54 1.603,55 2.811,56 9.702,57 9.151,58 4.011,59 54.315,60 6.092,61 7.084,62 4.131,63 0.282,64 52,65 5.083,66 0.876,67 1,68 1.747,69 28.755,70 4.815,71 5.4}
{0 CHEMBL2002649,7 46.172,10 2,11 2,12 5.513,14 0.491,15 3.204,16 1.586,17 5.273,18 3,20 1.651,21 1.614,22 3.85,23 4.391,24 5.939,25 1,26 11,27 4.761,28 3.908,29 1.683,30 2.624,31 2.939,32 1.527,33 1.53,34 3.669,35 1.557,36 1.567,37 3.693,38 1.216,39 4.232,40 2.117,41 2,42 2.944,43 1.558,44 0.136,45 1.082,46 4.051,47 4.368,48 2,49 5.247,50 0.574,51 1.603,52 1.755,53 4.123,54 1.377,55 1.54,56 3.62,57 5.372,58 3.515,59 32.575,60 1.663,61 1.734,62 3.621,63 0.429,64 31,65 4.241,66 0.261,68 1.551,69 10.745,70 4.077,71 5.2}
{0 CHEMBL2002682,6 2,7 108.761,10 4,11 4,12 23.234,14 1.075,15 4.836,16 2.006,17 22.435,18 3,19 14,20 1.932,21 2.022,22 4.073,23 16.981,24 25.065,26 38,27 16.963,28 4.091,29 1.93,30 10,31 3.492,32 1.916,33 1.831,34 4.028,35 1.782,36 1.953,37 4.026,38 1.7,39 5.457,40 2.117,41 3,42 3.496,43 1.512,44 1.002,45 1.785,46 25.977,47 11.73,48 15,49 14.216,50 1.206,51 1.767,52 2.085,53 5.177,54 1.846,55 4.932,56 23.932,57 14.569,58 4.474,59 90.75,60 1.78,61 1.816,62 4.589,63 1.326,64 85,65 5.49,66 1.339,67 1,68 1.866,69 46.831,70 5.257,71 5.5}
{0 CHEMBL2002690,7 38.666,10 3,11 3,12 8.491,14 0.488,15 3.702,16 1.877,17 8.778,18 4,19 5,20 1.874,21 1.889,22 3.994,23 6.489,24 7.792,26 15,27 6.407,28 4.015,29 1.862,30 3.68,31 3.336,32 2.415,33 3.244,34 3.95,35 4.156,36 1.897,37 3.942,38 1.423,39 4.677,40 2.912,41 3,42 3.322,43 1.526,44 0.257,45 1.185,46 7.871,47 6.466,48 3,49 7.788,50 0.944,51 5.111,52 1.969,53 4.385,54 1.292,55 2.275,56 5.796,57 8.009,58 3.84,59 45.325,60 6.091,61 7.083,62 3.933,63 0.936,64 44,65 4.668,66 0.821,67 1,68 1.461,69 19.925,70 4.511,71 5.4}
{0 CHEMBL2002702,7 52.447,10 2,11 2,12 8.613,14 0.614,15 3.56,16 1.652,17 7.318,18 7,19 4,20 1.795,21 1.683,22 3.912,23 6.566,24 7.059,26 14,27 6.295,28 3.951,29 1.771,30 3.668,31 3.023,32 1.255,33 1.338,34 3.813,35 1.422,36 1.794,37 3.818,38 1.345,39 4.403,40 2.117,41 2,42 3.001,43 1.586,44 0.195,45 1.139,46 6.61,47 4.744,48 1,49 5.653,50 0.87,51 1.51,52 1.825,53 4.221,54 1.29,55 1.875,56 5.601,57 5.889,58 3.568,59 35.697,60 1.599,61 1.69,62 3.688,63 0.32,64 34,65 4.54,66 0.59,68 1.545,69 16.34,70 4.226,71 5.3}
{0 CHEMBL2002726,1 2,3 1,4 -0.069,6 2,7 85.751,8 1,10 3,11 3,12 14.244,14 0.899,15 4.168,16 1.894,17 12.615,18 3,19 7,20 1.866,21 1.924,22 3.932,23 9.74,24 12.626,25 2,26 22,27 10.103,28 3.967,29 1.87,30 5.765,31 3.407,32 0.739,33 0.593,34 3.866,35 0.469,36 1.849,37 3.858,38 1.544,39 4.921,40 1.72,41 3,42 3.407,43 1.497,44 0.496,45 1.306,46 11.871,47 7.231,48 6,49 8.673,50 0.967,51 0.366,52 2.03,53 4.649,54 1.733,55 2.817,56 9.772,57 8.921,58 3.988,59 54.939,60 0.283,61 0.217,62 4.113,63 0.872,64 52,65 5.045,66 0.821,67 1,68 1.765,69 27.58,70 4.722,71 7.7}
{0 CHEMBL2002736,3 1,4 -0.019,6 6,7 43.498,8 1,10 3,11 3,12 7.556,14 0.455,15 3.508,16 1.556,17 7.255,18 3,19 1,20 1.698,21 1.606,22 3.672,23 6.594,24 7.881,26 17,27 7.966,28 3.717,29 1.7,30 4.118,31 3.176,32 1.159,33 0.963,34 3.458,35 0.787,36 1.76,37 3.466,38 1.342,39 4.514,40 1.72,41 1,42 3.181,43 1.484,44 0.274,45 1.249,46 8.226,47 4.522,48 5,49 5.414,50 0.919,51 0.634,52 1.849,53 4.331,54 1.297,55 2.086,56 5.298,57 5.58,58 3.627,59 38.82,60 0.504,61 0.395,62 3.76,63 1.251,64 35,65 4.494,66 0.268,67 2,68 1.482,69 16.823,70 4.31,71 5.8}
{0 CHEMBL2002802,7 37.012,10 4,11 4,12 3.494,14 0.074,15 2.46,16 1.475,17 2.861,20 1.545,21 1.468,22 3.522,23 3.337,24 4.375,26 8,27 3.456,28 3.567,29 1.556,30 1.687,31 2.687,32 1.045,33 1.019,34 3.311,35 0.993,36 1.387,37 3.327,38 0.923,39 3.825,40 1.96,41 1,42 2.706,43 1.618,45 0.585,46 1.264,47 2.849,48 1,49 3.422,50 0.531,51 0.967,52 1.643,53 3.809,54 1.134,55 0.983,56 1.168,57 3.602,58 3.208,59 23.953,60 0.942,61 0.917,62 3.338,63 2.566,64 22,65 3.901,67 1,68 1.286,69 9.56,70 3.689,71 4.4}
{0 CHEMBL2002992,1 1,3 1,4 0.891,6 4,7 97.42,8 3,10 4,11 4,12 13.981,14 0.825,15 3.956,16 1.824,17 13.595,18 7,19 1,20 1.763,21 1.861,22 3.92,23 10.264,24 12.658,25 1,26 22,27 10.153,28 3.972,29 1.756,30 5.621,31 3.242,32 2.904,33 4.037,34 3.812,35 5.25,36 1.786,37 3.802,38 1.464,39 5.01,40 3.306,41 2,42 3.244,43 1.542,44 0.611,45 1.424,46 10.165,47 6.137,48 3,49 7.385,50 1.012,51 6.501,52 1.985,53 4.61,54 1.429,55 2.749,56 8.142,57 7.558,58 3.845,59 48.939,60 7.771,61 9.051,62 3.993,63 1.874,64 45,65 5.103,66 0.7,67 1,68 1.639,69 29.339,70 4.758,71 6.8}
{0 CHEMBL2003271,7 50.908,10 3,11 3,12 5.43,14 0.254,15 3.069,16 1.869,17 5.449,18 2,19 9,20 1.7,21 1.882,22 3.907,23 3.854,24 4.311,26 9,27 0.573,28 3.924,29 1.715,30 1.908,31 3.113,32 1.677,33 1.719,34 3.857,35 1.766,36 1.561,37 3.85,38 1.177,39 4.41,40 2.117,41 2,42 3.132,43 1.633,44 0.167,45 1.062,46 4.594,47 5.279,48 3,49 6.454,50 0.729,51 1.817,52 1.941,53 4.144,54 1.124,55 1.753,56 4.618,57 6.761,58 3.638,59 36.243,60 1.874,61 1.935,62 3.701,63 1.08,64 35,65 4.405,66 0.591,68 1.311,69 19.811,70 4.327,71 5.9}
{0 CHEMBL2003286,7 18.011,10 2,11 2,12 4.375,14 0.173,15 2.869,16 1.442,17 4.078,18 2,20 1.525,21 1.446,22 3.711,23 3.583,24 4.807,26 9,27 3.354,28 3.716,29 1.522,30 2.119,31 2.897,32 6.422,33 9.282,34 3.607,35 12.158,36 1.487,37 3.582,38 1.178,39 4.034,40 8.335,41 2,42 2.906,43 1.68,45 0.892,46 3.84,47 3.744,48 2,49 4.5,50 0.555,51 15.039,52 1.615,53 3.925,54 1.045,55 1.286,56 1.834,57 4.688,58 3.403,59 28.917,60 17.926,61 20.819,62 3.464,63 0.526,64 27,65 4.069,67 1,68 1.239,69 8.913,70 3.951,71 5}
{0 CHEMBL2003341,1 2,3 1,4 -0.599,7 36.106,8 1,10 2,11 2,12 10.284,14 0.809,15 3.725,16 1.89,17 10.212,18 2,19 9,20 1.845,21 1.908,22 3.925,23 6.757,24 10.869,25 2,26 16,27 5.607,28 3.946,29 1.845,30 4.004,31 3.321,32 1.343,33 1.438,34 3.88,35 1.555,36 1.835,37 3.871,38 1.439,39 4.753,40 2.162,41 3,42 3.33,43 1.527,44 0.218,45 1.181,46 9.947,47 6.355,48 5,49 7.703,50 0.869,51 1.679,52 1.994,53 4.427,54 1.318,55 2.312,56 6.687,57 7.937,58 3.836,59 46.625,60 1.807,61 1.939,62 3.928,63 0.251,64 44,65 4.8,66 0.821,68 1.627,69 24.228,70 4.587,71 6.6}
{0 CHEMBL2003420,1 4,6 4,7 126.794,10 4,11 4,12 13.315,14 1.061,15 4.26,16 1.813,17 14.722,18 4,19 6,20 1.964,21 1.853,22 3.878,23 11.368,24 12.212,25 4,26 28,27 12.631,28 3.923,29 1.943,30 6.778,31 3.378,32 3.092,33 3.935,34 3.768,35 4.858,36 1.975,37 3.772,38 1.549,39 5.137,40 2.921,41 2,42 3.399,43 1.441,44 0.617,45 1.533,46 11.322,47 7.762,48 11,49 9.253,50 1.081,51 5.822,52 1.991,53 4.824,54 1.655,55 3.378,56 11.312,57 9.407,58 4.087,59 63.976,60 6.806,61 7.802,62 4.236,63 1.698,64 57,65 5.17,66 0.887,68 1.793,69 32.093,70 4.873,71 5}
{0 CHEMBL2003456,1 1,7 45.069,10 2,11 2,12 5.083,14 0.22,15 3.052,16 1.654,17 4.984,18 1,20 1.552,21 1.691,22 3.802,23 3.869,24 4.316,25 1,26 9,27 3.836,28 3.842,29 1.625,30 2.127,31 2.735,32 2.415,33 3.244,34 3.674,35 4.156,36 1.366,37 3.687,38 0.974,39 4.192,40 2.912,41 2,42 2.715,43 1.558,45 0.959,46 3.067,47 4.001,48 1,49 4.819,50 0.265,51 5.111,52 1.818,53 3.951,54 1.107,55 1.394,56 1.758,57 4.899,58 3.37,59 27.95,60 6.091,61 7.083,62 3.482,63 0.451,64 27,65 4.108,68 1.181,69 9.548,70 4.01,71 5}
{0 CHEMBL2003482,7 49.897,10 2,11 2,12 7.302,14 0.698,15 3.375,16 1.582,17 8.41,18 3,19 6,20 1.706,21 1.629,22 3.913,23 6.84,24 5.516,26 14,27 5.779,28 3.939,29 1.699,30 3.628,31 3.076,32 3.1,33 4.312,34 3.85,35 5.601,36 1.684,37 3.846,38 1.372,39 4.59,40 3.497,41 2,42 3.084,43 1.54,44 0.218,45 1.181,46 5.442,47 5.051,48 3,49 6.143,50 0.951,51 6.927,52 1.827,53 4.301,54 1.447,55 2.045,56 5.345,57 6.295,58 3.613,59 37.14,60 8.273,61 9.631,62 3.733,63 0.393,64 35,65 4.514,66 0.236,68 1.542,69 18.474,70 4.376,71 5}
{0 CHEMBL2003514,1 4,3 1,4 -0.164,6 3,7 63.026,8 1,10 1,11 1,12 9.828,14 0.757,15 3.855,16 1.853,17 9.172,18 3,19 2,20 1.83,21 1.886,22 3.914,23 7.299,24 10.584,25 4,26 18,27 7.843,28 3.945,29 1.844,30 4.573,31 3.287,32 1.594,33 1.614,34 3.82,35 1.674,36 1.79,37 3.828,38 1.444,39 4.702,40 2.162,41 3,42 3.291,43 1.516,44 0.243,45 1.201,46 9.314,47 6.279,48 5,49 7.485,50 0.847,51 1.758,52 2.003,53 4.502,54 1.514,55 2.415,56 6.619,57 7.721,58 3.858,59 48.318,60 1.859,61 1.973,62 3.971,63 -0.317,64 45,65 4.811,66 0.75,68 1.699,69 21.311,70 4.521,71 8.4}
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{0 CHEMBL2003638,7 45.785,10 2,11 2,12 9.733,14 0.76,15 3.938,16 1.882,17 9.71,18 3,19 14,20 1.978,21 1.912,22 3.95,23 7.24,24 8.28,26 17,27 7.057,28 4.002,29 1.975,30 4.325,31 3.567,32 1.297,33 1.348,34 3.856,35 1.425,36 1.982,37 3.854,38 1.464,39 4.887,40 2.117,41 4,42 3.605,43 1.533,44 0.431,45 1.337,46 7.276,47 7.747,48 5,49 9.357,50 1.059,51 1.51,52 2.014,53 4.617,54 1.67,55 2.731,56 7.871,57 9.511,58 4.012,59 54.03,60 1.599,61 1.69,62 4.127,63 0.225,64 52,65 4.955,66 0.821,67 4,68 1.618,69 22.739,70 4.703,71 5.9}
{0 CHEMBL2003657,3 1,4 -0.663,6 6,7 26.03,8 1,10 2,11 2,12 10.203,14 0.748,15 3.733,16 1.878,17 10.496,20 1.933,21 1.89,22 4.099,23 8.697,24 10.287,26 18,27 9.167,28 4.118,29 1.916,30 4.574,31 3.77,34 4.025,36 1.886,37 3.977,38 1.515,39 4.931,41 3,42 3.704,43 1.593,44 0.539,45 1.417,46 13.352,47 7.54,48 4,49 9.127,50 1.054,52 2.001,53 4.692,54 1.652,55 2.855,56 10.65,57 9.585,58 4.037,59 54.996,62 4.128,63 0.289,64 53,65 5.071,66 0.949,67 1,68 1.615,69 29.314,70 4.781,71 5}
{0 CHEMBL2003689,7 58.475,10 2,11 2,12 17.685,14 1.015,15 4.434,16 1.871,17 15.117,18 2,19 14,20 1.946,21 1.897,22 4.034,23 12.243,24 15.134,26 27,27 11.836,28 4.071,29 1.919,30 7.09,31 3.465,32 3.72,33 5.221,34 3.909,35 6.852,36 1.99,37 3.925,38 1.567,39 5.186,40 3.925,41 3,42 3.48,43 1.594,44 0.646,45 1.576,46 14.061,47 9.182,48 9,49 11.002,50 1.101,51 8.526,52 2.013,53 4.89,54 1.712,55 3.664,56 15.452,57 11.38,58 4.234,59 70.524,60 10.216,61 11.912,62 4.338,63 0.148,64 66,65 5.355,66 1.015,67 1,68 1.777,69 38.477,70 5.016,71 5.4}
{0 CHEMBL2003768,1 2,7 53.772,10 2,11 2,12 8.329,14 0.619,15 3.745,16 1.832,17 7.123,19 2,20 1.829,21 1.857,22 3.895,23 6.121,24 9.526,25 2,26 17,27 7.535,28 3.918,29 1.85,30 4.155,31 3.091,32 1.446,33 1.168,34 3.796,35 0.936,36 1.768,37 3.808,38 1.26,39 4.53,40 1.72,41 3,42 3.108,43 1.516,44 0.518,45 1.372,46 8.033,47 5.957,48 5,49 7.135,50 0.845,51 0.741,52 1.972,53 4.441,54 1.513,55 2.171,56 8.745,57 7.347,58 3.862,59 47.239,60 0.58,61 0.449,62 3.952,63 0.312,64 44,65 4.646,66 0.735,67 2,68 1.591,69 17.541,70 4.391,71 5.1}
{0 CHEMBL2003785,7 39.988,10 2,11 2,12 4.947,14 0.393,15 3.137,16 1.725,17 5.261,18 1,20 1.641,21 1.771,22 3.908,23 3.873,24 4.445,25 2,26 10,27 4.133,28 3.94,29 1.675,30 2.301,31 2.959,32 0.317,33 0.149,34 3.813,35 0.067,36 1.541,37 3.824,38 1.2,39 4.311,40 1.315,41 2,42 2.982,43 1.483,44 0.009,45 1.015,46 3.806,47 4.37,48 3,49 5.274,50 0.626,51 0.03,52 1.924,53 4.119,54 1.077,55 1.525,56 2.561,57 5.34,58 3.49,59 32.077,60 0.013,61 0.006,62 3.617,63 0.483,64 30,65 4.285,66 0.211,68 1.434,69 11.493,70 4.105,71 5.3}
{0 CHEMBL2003817,1 4,7 82.115,10 2,11 2,12 5.435,14 0.299,15 3.182,16 1.683,17 4.781,18 2,20 1.679,21 1.738,22 3.835,23 3.829,24 4.753,25 4,26 10,27 3.155,28 3.894,29 1.715,30 2.305,31 3.078,32 5.464,33 8.065,34 3.638,35 10.736,36 1.636,37 3.669,38 1.219,39 4.495,40 5.335,41 2,42 3.135,43 1.514,44 0.085,45 1.065,46 4.396,47 5.361,48 2,49 6.52,50 0.7,51 13.417,52 1.925,53 4.314,54 1.249,55 1.786,56 3.421,57 6.56,58 3.689,59 39.381,60 16.1,61 18.783,62 3.796,63 0.42,64 36,65 4.559,66 0.457,68 1.364,69 12.926,70 4.327,71 5}
{0 CHEMBL2004025,7 13.3,10 1,11 1,12 12.197,14 0.675,15 4.014,16 1.799,17 9.771,18 2,20 1.81,21 1.796,22 3.922,23 8.802,24 12.71,26 23,27 12.523,28 3.897,29 1.776,30 5.726,31 3.121,32 3.467,33 4.307,34 3.878,35 5.197,36 1.648,37 3.78,38 1.332,39 4.761,40 3.349,41 2,42 3.162,43 1.559,44 0.581,45 1.587,46 14.94,47 6.566,48 11,49 7.778,50 0.896,51 6.123,52 1.948,53 4.726,54 1.633,55 2.472,56 13.668,57 8.279,58 4.056,59 58.661,60 7.076,61 8.049,62 4.128,63 -0.234,64 53,65 4.97,66 0.915,67 2,68 1.634,69 29.083,70 4.641,71 5.7}
{0 CHEMBL2004072,1 2,7 18.095,12 5.335,14 0.558,15 3.127,16 1.704,17 5.362,20 1.683,21 1.727,22 3.838,23 4.335,24 5.705,25 2,26 10,27 3.411,28 3.857,29 1.704,30 2.664,31 2.983,32 2.817,33 3.808,34 3.794,35 4.825,36 1.619,37 3.775,38 1.168,39 4.232,40 3.349,41 2,42 2.974,43 1.571,44 0.135,45 1.08,46 5.391,47 4.686,48 3,49 5.656,50 0.697,51 5.851,52 1.829,53 4.104,54 1.099,55 1.641,56 3.025,57 5.88,58 3.536,59 33.253,60 6.88,61 7.91,62 3.602,63 -0.738,64 32,65 4.296,66 0.547,68 1.407,69 10.484,70 4.122,71 5}
{0 CHEMBL2004118,7 65.923,10 2,11 2,12 11.609,14 0.825,15 3.847,16 1.805,17 10.98,18 4,19 4,20 1.836,21 1.84,22 3.944,23 8.731,24 12.384,26 20,27 8.796,28 3.979,29 1.829,30 5.002,31 3.32,32 0.958,33 0.736,34 3.856,35 0.57,36 1.836,37 3.857,38 1.475,39 4.911,40 1.72,41 3,42 3.313,43 1.508,44 0.603,45 1.513,46 10.825,47 6.724,48 4,49 8.177,50 1.016,51 0.439,52 1.98,53 4.661,54 1.599,55 2.875,56 7.678,57 8.374,58 3.928,59 50.967,60 0.334,61 0.252,62 4.054,63 0.312,64 48,65 4.858,66 0.824,68 1.652,69 24.688,70 4.689,71 6}
{0 CHEMBL2004159,1 4,7 56.306,10 1,11 1,12 8.098,14 0.655,15 3.726,16 1.852,17 8.062,18 2,19 1,20 1.827,21 1.884,22 3.907,23 6.251,24 8.375,25 4,26 16,27 6.864,28 3.937,29 1.842,30 4.008,31 3.146,32 1.594,33 1.614,34 3.817,35 1.674,36 1.78,37 3.824,38 1.308,39 4.588,40 2.162,41 3,42 3.171,43 1.51,44 0.218,45 1.181,46 7.593,47 5.931,48 5,49 7.088,50 0.799,51 1.758,52 1.998,53 4.418,54 1.487,55 2.165,56 4.749,57 7.271,58 3.795,59 44.903,60 1.859,61 1.973,62 3.905,63 -0.301,64 42,65 4.692,66 0.722,68 1.588,69 18.812,70 4.418,71 7.6}
{0 CHEMBL2004290,1 2,6 6,7 75.649,10 5,11 5,12 19.554,14 1.05,15 4.386,16 1.858,17 14.688,18 7,19 10,20 1.951,21 1.883,22 3.934,23 12.318,24 17.068,25 2,26 28,27 12.923,28 3.978,29 1.951,30 7.073,31 3.698,32 2.508,33 3.275,34 3.835,35 4.165,36 1.946,37 3.838,38 1.72,39 5.189,40 2.912,41 4,42 3.7,43 1.542,44 0.608,45 1.562,46 15.624,47 9.488,48 7,49 11.365,50 1.065,51 5.114,52 1.993,53 4.946,54 1.61,55 3.565,56 15.388,57 11.84,58 4.3,59 74.105,60 6.092,61 7.084,62 4.415,63 2.214,64 70,65 5.386,66 1.144,67 3,68 1.884,69 42.751,70 5.025,71 6.4}
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{0 CHEMBL2004355,6 3,7 67.35,10 5,11 5,12 8.472,14 0.788,15 3.56,16 1.835,17 8.638,18 3,19 2,20 1.76,21 1.857,22 3.938,23 7.239,24 8.299,26 17,27 9.514,28 3.959,29 1.738,30 4.003,31 3.273,32 3.669,33 4.99,34 3.816,35 6.385,36 1.782,37 3.834,38 1.46,39 4.729,40 4.069,41 2,42 3.278,43 1.671,44 0.218,45 1.181,46 7.625,47 5.993,48 6,49 7.189,50 0.907,51 7.799,52 1.978,53 4.489,54 1.518,55 2.338,56 7.66,57 7.492,58 3.869,59 48.74,60 9.218,61 10.638,62 3.97,63 2.672,64 44,65 4.788,66 0.789,67 3,68 1.547,69 21.554,70 4.57,71 5}
{0 CHEMBL2004365,4 -0.797,6 3,7 82.336,8 1,10 4,11 4,12 8.696,14 0.674,15 3.69,16 1.646,17 9.674,18 2,19 5,20 1.728,21 1.649,22 3.867,23 8.203,24 10.285,26 17,27 6.256,28 3.87,29 1.713,30 4.196,31 3.417,32 5.407,33 7.608,34 3.92,35 9.881,36 1.718,37 3.835,38 1.454,39 4.763,40 6.301,41 3,42 3.406,43 1.65,44 0.514,45 1.422,46 10.529,47 7.096,48 6,49 8.632,50 0.874,51 12.17,52 1.757,53 4.565,54 1.569,55 2.685,56 13.63,57 9.061,58 3.98,59 51.999,60 14.464,61 16.759,62 4.06,63 1.697,64 50,65 4.851,66 1.101,68 1.621,69 22.728,70 4.643,71 5}
{0 CHEMBL2004419,4 0.324,6 1,7 29.742,8 1,10 2,11 2,12 12.37,14 0.748,15 3.927,16 1.849,17 11.088,19 1,20 1.907,21 1.874,22 4.045,23 8.946,24 11.599,26 19,27 8.044,28 4.087,29 1.9,30 4.916,31 3.547,34 3.925,36 1.921,37 3.929,38 1.513,39 4.949,41 3,42 3.529,43 1.577,44 0.539,45 1.417,46 13.267,47 7.635,48 4,49 9.198,50 1.05,52 1.979,53 4.702,54 1.642,55 2.964,56 9.541,57 9.53,58 4.026,59 55.413,62 4.14,63 0.243,64 53,65 5.083,66 0.827,67 1,68 1.611,69 27.673,70 4.76,71 5}
{0 CHEMBL2004438,1 2,7 66.164,10 4,11 4,12 9.85,14 0.537,15 3.797,16 1.88,17 8.86,18 5,19 8,20 1.944,21 1.906,22 3.947,23 6.822,24 9.308,25 2,26 16,27 6.123,28 3.978,29 1.945,30 3.867,31 3.3,32 5.464,33 8.065,34 3.856,35 10.736,36 1.93,37 3.861,38 1.403,39 4.85,40 5.335,41 3,42 3.318,43 1.528,44 0.263,45 1.282,46 9.468,47 7.326,48 3,49 8.883,50 0.998,51 13.417,52 2.013,53 4.6,54 1.497,55 2.528,56 6.916,57 8.995,58 3.985,59 53.626,60 16.1,61 18.783,62 4.098,63 1.632,64 50,65 4.96,66 0.821,68 1.553,69 21.509,70 4.68,71 5.3}
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{0 CHEMBL2004513,7 36.022,10 2,11 2,12 9.773,14 0.582,15 3.881,16 1.856,17 9.465,18 5,19 7,20 1.883,21 1.886,22 3.912,23 7.035,24 10.481,26 16,27 6.79,28 3.937,29 1.886,30 4.088,31 3.114,32 2.959,33 3.869,34 3.838,35 4.85,36 1.883,37 3.84,38 1.276,39 4.745,40 3.349,41 2,42 3.153,43 1.582,44 0.306,45 1.253,46 10.265,47 6.542,48 3,49 7.867,50 0.977,51 5.861,52 1.991,53 4.452,54 1.415,55 2.361,56 8.113,57 8.06,58 3.857,59 46.531,60 6.884,61 7.911,62 3.952,63 0.213,64 45,65 4.863,66 0.84,67 2,68 1.596,69 20.937,70 4.595,71 5.6}
{0 CHEMBL2004515,7 36.526,10 1,11 1,12 4.174,14 0.578,15 3.089,16 1.648,17 4.595,18 2,20 1.669,21 1.679,22 3.892,23 3.352,24 5.054,25 1,26 9,27 3.705,28 3.908,29 1.671,30 2.112,31 2.964,32 2.158,33 2.745,34 3.765,35 3.372,36 1.637,37 3.781,38 1.159,39 4.19,40 2.783,41 2,42 2.994,43 1.551,44 0.063,45 1.087,46 4.215,47 4.445,48 1,49 5.408,50 0.602,51 4.015,52 1.818,53 4.1,54 1.121,55 1.518,56 1.828,57 5.481,58 3.493,59 30.159,60 4.667,61 5.323,62 3.578,63 -0.225,64 30,65 4.176,66 0.09,67 1,68 1.438,69 8.963,70 4.042,71 6.4}
{0 CHEMBL2004544,7 8.756,10 3,11 3,12 9.607,14 0.669,15 3.638,16 1.859,17 8.857,18 5,19 4,20 1.735,21 1.878,22 3.957,23 6.362,24 9.891,26 15,27 8.7,28 3.965,29 1.698,30 3.686,31 3.356,32 5.046,33 7.145,34 3.863,35 9.282,36 1.651,37 3.868,38 1.403,39 4.691,40 5.85,41 2,42 3.35,43 1.625,44 0.425,45 1.172,46 9.272,47 6.179,48 4,49 7.517,50 0.738,51 11.426,52 1.972,53 4.464,54 1.485,55 2.167,56 6.486,57 7.762,58 3.876,59 45.581,60 13.572,61 15.719,62 3.929,63 1.012,64 44,65 4.812,66 0.736,68 1.468,69 21.395,70 4.564,71 5}
{0 CHEMBL2004615,1 1,7 46.049,10 4,11 4,12 4.311,14 0.289,15 2.96,16 1.579,17 4.002,18 2,20 1.561,21 1.593,22 3.742,23 4.547,24 4.567,25 1,26 11,27 4.876,28 3.78,29 1.567,30 2.483,31 2.921,32 5.039,33 7.186,34 3.645,35 9.348,36 1.521,37 3.639,38 1.126,39 4.149,40 5.9,41 2,42 2.975,43 1.694,45 1.039,46 5.172,47 3.824,48 3,49 4.558,50 0.589,51 11.511,52 1.743,53 4.036,54 1.216,55 1.328,56 3.36,57 4.808,58 3.463,59 31.867,60 13.675,61 15.838,62 3.596,63 2.236,64 29,65 4.252,66 0.133,68 1.345,69 12.26,70 3.983,71 5.2}
{0 CHEMBL2004647,1 1,2 1,3 1,4 0.412,7 42.629,8 1,10 3,11 3,12 11.434,13 1,14 0.705,15 3.521,16 1.562,17 9.793,18 4,19 1,20 1.735,21 1.632,22 3.838,23 7.415,24 10.531,25 1,26 17,27 5.825,28 3.899,29 1.749,30 4.111,31 3.029,32 2.306,33 2.937,34 3.677,35 3.623,36 1.701,37 3.682,38 1.376,39 4.774,40 2.873,41 2,42 3.03,43 1.576,44 0.372,45 1.27,46 9.561,47 5.729,48 3,49 6.935,50 0.968,51 4.331,52 1.863,53 4.524,54 1.485,55 2.332,56 7.661,57 7.187,58 3.815,59 45.369,60 5.048,61 5.769,62 3.926,63 1.118,64 42,65 4.9,66 0.649,67 1,68 1.627,69 37.441,70 4.591,71 5}
{0 CHEMBL2004692,7 39.085,10 3,11 3,12 4.86,14 0.609,15 3.411,16 1.552,17 6.094,19 2,20 1.703,21 1.585,22 3.862,23 4.737,24 4.115,25 1,26 12,27 4.571,28 3.876,29 1.753,30 2.744,31 3.37,32 1.045,33 1.019,34 3.892,35 0.993,36 1.593,37 3.817,38 1.422,39 4.538,40 1.96,41 4,42 3.428,43 1.533,44 0.218,45 1.182,46 3.918,47 6.204,48 5,49 7.455,50 0.683,51 0.967,52 1.753,53 4.364,54 1.475,55 2.048,56 4.303,57 7.624,58 3.842,59 44.156,60 0.942,61 0.917,62 3.952,63 1.091,64 42,65 4.586,66 0.821,67 3,68 1.502,69 12.465,70 4.371,71 5.3}
{0 CHEMBL2004716,1 1,6 6,7 101.102,10 5,11 5,12 21.68,14 1.048,15 4.626,16 1.884,17 18.571,18 6,19 14,20 1.969,21 1.914,22 3.935,23 15.044,24 22.175,25 1,26 34,27 15.755,28 3.969,29 1.963,30 8.719,31 3.579,32 2.65,33 3.357,34 3.862,35 4.206,36 1.965,37 3.858,38 1.717,39 5.318,40 2.912,41 3,42 3.586,43 1.506,44 0.869,45 1.725,46 18.506,47 10.407,48 10,49 12.427,50 1.131,51 5.133,52 2.016,53 5.055,54 1.747,55 4.486,56 17.315,57 12.904,58 4.363,59 82.141,60 6.1,61 7.087,62 4.495,63 2.161,64 76,65 5.417,66 1.232,68 1.908,69 44.823,70 5.105,71 6.9}
{0 CHEMBL2004771,7 44.863,10 2,11 2,12 8.693,14 0.715,15 3.844,16 1.871,17 9.098,18 4,19 6,20 1.872,21 1.893,22 4.029,23 6.76,24 8.677,26 15,27 6.439,28 4.048,29 1.87,30 3.781,31 3.206,32 1.356,33 1.44,34 3.925,35 1.555,36 1.881,37 3.941,38 1.364,39 4.728,40 2.162,41 3,42 3.23,43 1.554,44 0.247,45 1.197,46 8.5,47 6.738,48 3,49 8.173,50 0.996,51 1.679,52 1.989,53 4.467,54 1.51,55 2.419,56 5.769,57 8.316,58 3.858,59 45.405,60 1.807,61 1.939,62 3.955,63 0.213,64 45,65 4.719,66 0.86,68 1.574,69 17.533,70 4.558,71 7.1}
{0 CHEMBL2004871,1 2,7 36.01,10 1,11 1,12 8.757,14 0.602,15 3.638,16 1.792,17 9.151,18 1,20 1.863,21 1.826,22 3.839,23 6.661,24 9.069,25 3,26 16,27 6.991,28 3.873,29 1.857,30 4.123,31 3.294,34 3.753,36 1.872,37 3.755,38 1.252,39 4.668,41 3,42 3.298,43 1.494,44 0.218,45 1.181,46 10.492,47 5.705,48 5,49 6.897,50 0.969,52 1.949,53 4.4,54 1.374,55 2.234,56 9.132,57 7.01,58 3.744,59 42.95,62 3.858,63 -0.31,64 40,65 4.677,66 0.638,68 1.467,69 18.464,70 4.454,71 5}
{0 CHEMBL2004872,1 1,3 1,4 -0.121,6 3,7 47.259,8 1,10 1,11 1,12 11.086,14 0.741,15 3.952,16 1.886,17 10.214,18 3,19 6,20 1.825,21 1.91,22 3.919,23 7.983,24 11.972,25 2,26 19,27 8.339,28 3.947,29 1.841,30 4.934,31 3.308,32 1.594,33 1.614,34 3.85,35 1.674,36 1.78,37 3.849,38 1.46,39 4.734,40 2.162,41 3,42 3.313,43 1.516,44 0.281,45 1.26,46 10.604,47 6.4,48 5,49 7.627,50 0.834,51 1.758,52 2.011,53 4.515,54 1.515,55 2.493,56 8.546,57 7.877,58 3.871,59 49.235,60 1.859,61 1.973,62 3.983,63 -0.356,64 46,65 4.835,66 0.75,67 1,68 1.716,69 21.883,70 4.552,71 7}
{0 CHEMBL2004892,7 16.663,10 4,11 4,12 8.433,14 0.376,15 3.332,16 1.821,17 7.085,18 5,20 1.807,21 1.825,22 3.989,23 6.444,24 8.632,26 14,27 8.534,28 3.982,29 1.758,30 3.447,31 3.18,34 3.933,36 1.604,37 3.848,38 1.351,39 4.558,41 2,42 3.195,43 1.582,44 0.218,45 1.181,46 7.113,47 4.984,48 3,49 5.978,50 0.907,52 1.967,53 4.301,54 1.284,55 1.76,56 4.243,57 6.324,58 3.688,59 39.408,62 3.795,63 1.968,64 37,65 4.57,66 0.599,68 1.492,69 17.938,70 4.385,71 5.5}
{0 CHEMBL2004934,1 2,3 1,4 -0.236,6 3,7 44.931,8 1,10 1,11 1,12 11.341,14 0.818,15 3.932,16 1.889,17 10.377,18 3,19 7,20 1.847,21 1.914,22 3.925,23 8.17,24 12.181,25 2,26 19,27 8.115,28 3.952,29 1.852,30 5.012,31 3.31,32 1.594,33 1.614,34 3.856,35 1.674,36 1.831,37 3.855,38 1.46,39 4.783,40 2.162,41 3,42 3.316,43 1.527,44 0.276,45 1.253,46 10.481,47 6.579,48 5,49 7.87,50 0.869,51 1.758,52 2.016,53 4.534,54 1.515,55 2.558,56 8.084,57 8.114,58 3.894,59 50.492,60 1.859,61 1.973,62 4.001,63 -0.37,64 47,65 4.876,66 0.804,68 1.718,69 22.727,70 4.606,71 7.8}
{0 CHEMBL2005112,7 59.614,10 1,11 1,12 8.953,14 0.861,15 3.909,16 1.87,17 8.406,18 1,19 9,20 1.945,21 1.895,22 4.022,23 7.295,24 8.857,26 16,27 4.334,28 4.062,29 1.945,30 3.921,31 3.595,32 3.614,33 4.975,34 3.911,35 6.381,36 1.939,37 3.917,38 1.577,39 4.846,40 4.069,41 3,42 3.602,43 1.672,44 0.501,45 1.424,46 9.99,47 7.789,48 2,49 9.412,50 1.06,51 7.798,52 1.992,53 4.614,54 1.537,55 2.84,56 13.153,57 9.744,58 4.007,59 53.243,60 9.218,61 10.638,62 4.1,63 -0.341,64 52,65 4.976,66 0.883,68 1.746,69 21.117,70 4.708,71 5}
{0 CHEMBL2005186,1 1,3 1,4 0.063,6 6,7 86.119,8 1,10 3,11 3,12 14.13,14 1.06,15 4.306,16 1.897,17 12.826,18 7,19 15,20 1.958,21 1.921,22 4.04,23 10.476,24 11.917,25 1,26 24,27 10.778,28 4.077,29 1.957,30 6.113,31 3.519,32 3.268,33 4.494,34 3.945,35 5.814,36 1.967,37 3.954,38 1.67,39 5.099,40 3.634,41 3,42 3.527,43 1.529,44 0.489,45 1.47,46 12.588,47 8.857,48 7,49 10.61,50 1.103,51 7.174,52 2.008,53 4.829,54 1.605,55 3.442,56 15.15,57 10.902,58 4.174,59 65.145,60 8.557,61 9.952,62 4.294,63 0.811,64 62,65 5.155,66 1.034,67 2,68 1.923,69 30.142,70 4.903,71 6.3}
{0 CHEMBL2005216,1 1,2 1,3 2,4 0.206,6 8,7 54.091,8 2,9 1,10 3,11 3,12 13.97,14 0.826,15 3.772,16 1.853,17 12.998,18 7,19 4,20 1.916,21 1.881,22 4.003,23 10.004,24 13.237,25 1,26 21,27 11.204,28 4.013,29 1.917,30 5.311,31 3.598,32 0.05,33 0.008,34 3.945,35 0.001,36 1.783,37 3.841,38 1.65,39 5.108,40 0.8,41 3,42 3.586,43 1.559,44 0.717,45 1.513,46 12.1,47 7.228,48 5,49 8.765,50 0.99,52 1.996,53 4.748,54 1.619,55 2.901,56 8.796,57 9.151,58 4.015,59 55.594,62 4.129,63 1.023,64 52,65 5.103,66 0.972,67 4,68 1.62,69 35.882,70 4.88,71 7.4}
{0 CHEMBL2005375,1 1,3 3,4 0.328,6 10,7 84.263,8 3,10 2,11 2,12 22.955,14 1.112,15 4.724,16 1.83,17 22.963,18 4,19 4,20 1.978,21 1.878,22 3.939,23 17.363,24 23.221,25 1,26 38,27 17.559,28 3.975,29 1.975,30 9.807,31 3.65,32 3.263,33 4.35,34 3.82,35 5.607,36 1.971,37 3.83,38 1.58,39 5.565,40 3.465,41 4,42 3.65,43 1.543,44 0.876,45 1.758,46 24.434,47 10.956,48 7,49 13.176,50 1.211,51 6.929,52 2.054,53 5.212,54 1.779,55 5.144,56 21.496,57 13.496,58 4.402,59 85.261,60 8.278,61 9.639,62 4.538,63 0.162,64 79,65 5.617,66 1.185,67 1,68 1.86,69 50.925,70 5.321,71 5}
{0 CHEMBL2005449,7 52.588,9 1,10 3,11 3,12 7.899,14 0.62,15 3.587,16 1.701,17 7.153,18 4,19 5,20 1.731,21 1.746,22 3.901,23 6.213,24 6.547,26 15,27 6.262,28 3.946,29 1.716,30 3.542,31 3.079,32 0.354,33 0.157,34 3.746,35 0.069,36 1.752,37 3.772,38 1.364,39 4.581,40 1.315,41 3,42 3.08,43 1.465,44 0.218,45 1.181,46 6.226,47 5.465,48 5,49 6.532,50 0.806,51 0.03,52 1.909,53 4.374,54 1.458,55 2.03,56 5.772,57 6.736,58 3.733,59 42.01,60 0.013,61 0.006,62 3.869,63 1.114,64 39,65 4.601,66 0.61,67 1,68 1.541,69 18.987,70 4.361,71 5.4}
{0 CHEMBL2005475,4 0.646,6 1,7 49.769,8 1,10 2,11 2,12 13.436,14 0.825,15 3.949,16 1.839,17 14.569,18 3,19 5,20 1.748,21 1.893,22 3.887,23 10.551,24 11.455,26 21,27 9.927,28 3.946,29 1.756,30 5.771,31 3.281,32 1.255,33 1.338,34 3.788,35 1.422,36 1.713,37 3.768,38 1.469,39 4.985,40 2.117,41 3,42 3.306,43 1.538,44 0.624,45 1.346,46 9.495,47 6.969,48 4,49 8.404,50 0.979,51 1.51,52 2.012,53 4.63,54 1.528,55 3.003,56 7.514,57 8.633,58 3.903,59 50.361,60 1.599,61 1.69,62 4.024,63 0.255,64 48,65 4.997,66 0.821,68 1.622,69 29.704,70 4.747,71 5}
{0 CHEMBL2005478,1 1,7 31.591,10 1,11 1,12 7.916,14 0.644,15 3.432,16 1.74,17 6.293,18 2,19 1,20 1.833,21 1.779,22 3.995,23 5.187,24 9.199,25 1,26 13,27 3.36,28 4.038,29 1.841,30 3.126,31 3.232,32 0.739,33 0.593,34 3.864,35 0.469,36 1.79,37 3.881,38 1.362,39 4.461,40 1.72,41 2,42 3.218,43 1.564,44 0.309,45 1.23,46 7.38,47 5.371,48 2,49 6.47,50 0.838,51 0.366,52 1.924,53 4.358,54 1.483,55 1.93,56 5.086,57 6.73,58 3.705,59 39.12,60 0.283,61 0.217,62 3.81,63 -0.265,64 38,65 4.56,66 0.642,68 1.603,69 11.53,70 4.314,71 5.4}
{0 CHEMBL2005482,1 1,7 69.699,10 2,11 2,12 18.504,14 1.023,15 4.482,16 1.888,17 16.333,18 4,19 14,20 1.992,21 1.92,22 3.963,23 12.171,24 17.817,25 1,26 28,27 11.646,28 4.004,29 1.989,30 7.104,31 3.805,32 3.17,33 4.326,34 3.874,35 5.604,36 1.979,37 3.869,38 1.771,39 5.339,40 3.497,41 6,42 3.788,43 1.531,44 0.825,45 1.592,46 18.259,47 11.33,48 8,49 13.791,50 1.124,51 6.928,52 2.032,53 5.065,54 1.834,55 4.241,56 16.573,57 14.153,58 4.402,59 80.338,60 8.273,61 9.631,62 4.509,63 0.126,64 78,65 5.366,66 1.339,67 2,68 1.868,69 38.015,70 5.15,71 5.4}
{0 CHEMBL2005528,6 5,7 52.854,10 2,11 2,12 6.829,14 0.541,15 3.435,16 1.71,17 8.118,18 4,19 1,20 1.76,21 1.753,22 3.704,23 6.451,24 6.733,26 14,27 6.199,28 3.734,29 1.747,30 3.584,31 3.098,32 2.956,33 3.869,34 3.55,35 4.85,36 1.799,37 3.565,38 1.238,39 4.559,40 3.349,41 1,42 3.102,43 1.614,44 0.149,45 1.124,46 6.374,47 5.006,48 3,49 6.083,50 0.936,51 5.861,52 1.936,53 4.314,54 1.238,55 2.153,56 3.53,57 6.205,58 3.623,59 37.116,60 6.884,61 7.911,62 3.728,63 0.393,64 35,65 4.508,66 0.468,68 1.418,69 16.167,70 4.372,71 5}
{0 CHEMBL2005548,1 1,2 1,6 9,7 57.416,10 2,11 2,12 14.588,13 1,14 0.918,15 3.934,16 1.885,17 10.917,18 3,19 4,20 1.916,21 1.903,22 3.96,23 8.935,24 8.226,25 1,26 20,27 7.081,28 3.981,29 1.917,30 4.99,31 3.556,32 3.476,33 4.871,34 3.888,35 6.339,36 1.945,37 3.883,38 1.696,39 4.98,40 3.872,41 3,42 3.556,43 1.651,44 0.469,45 1.427,46 8.552,47 7.914,48 7,49 9.539,50 1.117,51 7.84,52 1.991,53 4.732,54 1.622,55 3.021,56 11.949,57 9.943,58 4.091,59 59.456,60 9.359,61 10.891,62 4.188,63 0.252,64 56,65 5.152,66 0.824,67 2,68 1.805,69 41.529,70 4.836,71 6.8}
{0 CHEMBL2005631,1 1,7 71.905,10 5,11 5,12 11.97,14 0.692,15 3.925,16 1.879,17 10.523,18 5,19 9,20 1.936,21 1.905,22 3.944,23 9.087,24 12.106,25 1,26 20,27 8.544,28 3.975,29 1.939,30 4.911,31 3.345,32 2.617,33 3.348,34 3.86,35 4.204,36 1.877,37 3.862,38 1.452,39 4.906,40 2.912,41 3,42 3.356,43 1.573,44 0.585,45 1.433,46 10.93,47 7.74,48 4,49 9.282,50 1.022,51 5.132,52 2.008,53 4.678,54 1.582,55 2.833,56 10.33,57 9.634,58 4.065,59 58.492,60 6.1,61 7.087,62 4.179,63 2.376,64 55,65 5.032,66 0.881,68 1.672,69 29.278,70 4.75,71 6.1}
{0 CHEMBL2005699,7 55.94,10 2,11 2,12 17.044,14 0.723,15 4.347,16 1.87,17 13.906,18 1,19 14,20 1.946,21 1.896,22 4.034,23 11.244,24 14.054,26 25,27 10.87,28 4.071,29 1.919,30 6.524,31 3.464,32 3.889,33 5.449,34 3.908,35 7.141,36 1.989,37 3.924,38 1.554,39 5.117,40 4.104,41 3,42 3.478,43 1.604,44 0.636,45 1.556,46 12.456,47 8.785,48 8,49 10.506,50 1.086,51 8.879,52 2.011,53 4.834,54 1.648,55 3.414,56 14.944,57 10.88,58 4.191,59 67.109,60 10.635,61 12.399,62 4.293,63 0.162,64 63,65 5.309,66 0.994,67 1,68 1.685,69 35.962,70 4.959,71 5.4}
{0 CHEMBL2005718,1 1,2 1,7 48.165,9 1,10 3,11 3,12 8.752,14 0.862,15 3.405,16 1.782,17 8.506,18 3,20 1.916,21 1.791,22 3.967,23 7.014,24 9.56,25 1,26 16,27 8.401,28 3.945,29 1.892,30 3.859,31 3.285,32 0.05,33 0.008,34 3.924,35 0.001,36 1.775,37 3.78,38 1.453,39 4.746,40 0.8,41 2,42 3.276,43 1.554,44 0.294,45 1.192,46 8.411,47 5.732,48 6,49 6.919,50 0.92,52 1.981,53 4.487,54 1.573,55 2.134,56 6.203,57 7.288,58 3.816,59 45.266,62 3.921,63 1.121,64 42,65 4.665,66 0.588,67 1,68 1.59,69 20.355,70 4.545,71 7.4}
{0 CHEMBL2005792,1 2,7 48.265,10 2,11 2,12 14.302,14 0.778,15 4.068,16 1.809,17 12.409,18 2,19 1,20 1.974,21 1.85,22 3.854,23 9.57,24 12.304,25 2,26 23,27 10.266,28 3.901,29 1.967,30 5.711,31 3.563,32 0.763,33 0.597,34 3.757,35 0.47,36 1.913,37 3.766,38 1.681,39 5.016,40 1.72,41 3,42 3.576,43 1.548,44 0.544,45 1.417,46 12.108,47 7.752,48 7,49 9.264,50 0.986,51 0.367,52 1.981,53 4.796,54 1.548,55 2.993,56 13.572,57 9.574,58 4.105,59 61.485,60 0.283,61 0.217,62 4.224,63 0.257,64 57,65 5.285,66 0.836,68 1.784,69 36.598,70 4.831,71 5.2}
{0 CHEMBL2005828,7 57.873,10 4,11 4,12 10.565,14 0.622,15 3.853,16 1.882,17 8.701,18 5,19 8,20 1.898,21 1.91,22 3.933,23 7.339,24 9.242,25 1,26 17,27 7.505,28 3.967,29 1.93,30 4.06,31 3.196,32 2.415,33 3.244,34 3.856,35 4.156,36 1.8,37 3.853,38 1.375,39 4.728,40 2.912,41 3,42 3.236,43 1.532,44 0.218,45 1.289,46 6.531,47 6.686,48 3,49 8.009,50 0.855,51 5.111,52 2.009,53 4.51,54 1.493,55 2.4,56 7.13,57 8.208,58 3.913,59 49.402,60 6.091,61 7.083,62 4.029,63 1.698,64 47,65 4.849,66 0.821,67 1,68 1.566,69 21.037,70 4.559,71 6}
{0 CHEMBL2005886,2 1,3 1,4 -0.792,7 81.606,8 1,10 4,11 4,12 17.385,13 1,14 0.999,15 4.245,16 1.892,17 15.362,18 7,19 4,20 1.946,21 1.915,22 3.934,23 11.367,24 16.904,26 26,27 11.479,28 3.96,29 1.954,30 6.535,31 3.517,32 1.758,33 1.667,34 3.874,35 1.639,36 1.898,37 3.867,38 1.647,39 5.205,40 2.117,41 4,42 3.534,43 1.559,44 0.811,45 1.569,46 16.754,47 8.876,48 6,49 10.823,50 1.098,51 1.651,52 2.02,53 4.916,54 1.643,55 3.515,56 14.557,57 11.08,58 4.213,59 67.631,60 1.691,61 1.75,62 4.329,63 1.546,64 64,65 5.279,66 1.043,67 3,68 1.866,69 35.496,70 5.012,71 6.1}
{0 CHEMBL2005899,1 2,3 1,4 -0.143,6 3,7 82.131,8 1,10 1,11 1,12 14.218,14 0.731,15 3.892,16 1.764,17 10.43,19 9,20 1.826,21 1.811,22 3.827,23 8.613,24 12.863,25 2,26 21,27 9.283,28 3.875,29 1.838,30 5.357,31 3.24,32 2.981,33 4.133,34 3.709,35 5.382,36 1.782,37 3.713,38 1.397,39 4.782,40 3.348,41 2,42 3.261,43 1.641,44 0.469,45 1.417,46 10.233,47 5.853,48 4,49 6.902,50 0.849,51 6.67,52 1.971,53 4.557,54 1.541,55 2.589,56 9.864,57 7.312,58 3.854,59 49.86,60 7.976,61 9.292,62 3.975,63 -0.284,64 45,65 5.085,66 0.804,67 1,68 1.671,69 29.23,70 4.6,71 6.8}
{0 CHEMBL2005936,7 59.679,10 2,11 2,12 13.451,14 1.072,15 4.347,16 1.885,17 14.03,18 3,19 22,20 1.965,21 1.913,22 3.991,23 10.983,24 11.856,26 24,27 10.842,28 4.038,29 1.95,30 6.345,31 3.548,32 2.912,33 4.038,34 3.886,35 5.251,36 1.984,37 3.891,38 1.679,39 5.089,40 3.306,41 4,42 3.563,43 1.515,44 0.595,45 1.56,46 13.778,47 8.918,48 7,49 10.679,50 1.146,51 6.501,52 2.007,53 4.809,54 1.68,55 3.588,56 16.688,57 10.925,58 4.149,59 63.936,60 7.771,61 9.051,62 4.276,63 0.162,64 61,65 5.147,66 1.012,67 4,68 1.931,69 29.429,70 4.879,71 6.5}
{0 CHEMBL2006010,1 1,7 57.729,10 2,11 2,12 5.177,14 0.328,15 3.065,16 1.802,17 4.711,18 3,19 4,20 1.627,21 1.838,22 3.909,23 3.671,24 4.523,25 1,26 9,27 1.038,28 3.949,29 1.659,30 2.011,31 3.129,32 5.464,33 8.065,34 3.773,35 10.736,36 1.579,37 3.79,38 1.25,39 4.553,40 5.335,41 2,42 3.183,43 1.555,44 0.087,45 1.019,46 4.663,47 5.628,48 2,49 6.891,50 0.645,51 13.417,52 1.972,53 4.325,54 1.316,55 1.861,56 3.493,57 7.01,58 3.72,59 40.186,60 16.1,61 18.783,62 3.808,63 0.403,64 37,65 4.537,66 0.608,68 1.374,69 11.145,70 4.409,71 5}
{0 CHEMBL2006156,3 2,4 0.179,6 12,7 66.238,8 2,10 1,11 1,12 13.982,14 0.827,15 4.201,16 1.69,17 12.03,18 2,19 1,20 1.742,21 1.754,22 3.865,23 10.378,24 13.976,26 24,27 10.824,28 3.894,29 1.736,30 6.166,31 3.614,32 2.511,33 3.388,34 3.736,35 4.358,36 1.82,37 3.75,38 1.492,39 5.039,40 2.972,41 3,42 3.621,43 1.542,44 0.537,45 1.545,46 17.222,47 7.918,48 5,49 9.432,50 0.989,51 5.372,52 1.969,53 4.785,54 1.604,55 3.383,56 15.266,57 9.781,58 4.092,59 60.773,60 6.409,61 7.458,62 4.205,63 -0.349,64 57,65 5.112,66 1.108,67 1,68 1.712,69 29.425,70 4.829,71 5}
{0 CHEMBL2006188,1 2,3 1,4 -0.163,6 3,7 84.574,8 1,10 4,11 4,12 16.526,14 0.874,15 4.39,16 1.89,17 15.364,18 7,19 9,20 1.904,21 1.914,22 3.925,23 11.831,24 17.348,25 2,26 28,27 12.691,28 3.952,29 1.897,30 7.148,31 3.453,32 1.605,33 1.616,34 3.857,35 1.674,36 1.911,37 3.855,38 1.613,39 5.099,40 2.162,41 3,42 3.444,43 1.49,44 0.57,45 1.563,46 16.365,47 8.091,48 9,49 9.642,50 1.138,51 1.758,52 2.018,53 4.818,54 1.692,55 3.376,56 17.456,57 9.928,58 4.128,59 65.394,60 1.859,61 1.973,62 4.261,63 1.564,64 60,65 5.167,66 0.999,67 1,68 1.816,69 31.68,70 4.878,71 7.4}
{0 CHEMBL2006237,7 78.329,10 4,11 4,12 16.725,14 0.967,15 4.291,16 1.817,17 15.051,18 4,19 2,20 1.98,21 1.858,22 3.882,23 11.277,24 15.455,26 27,27 12.627,28 3.952,29 1.99,30 6.665,31 3.388,32 1.339,33 1.199,34 3.747,35 1.111,36 1.948,37 3.756,38 1.561,39 5.167,40 1.96,41 3,42 3.382,43 1.509,44 0.671,45 1.513,46 12.598,47 7.979,48 7,49 9.638,50 1.125,51 1.046,52 2.023,53 4.887,54 1.592,55 3.365,56 11.121,57 9.849,58 4.123,59 63.85,60 0.994,61 0.952,62 4.271,63 1.663,64 59,65 5.273,66 1.054,67 2,68 1.819,69 34.646,70 4.926,71 5}
{0 CHEMBL2006263,7 27.452,10 3,11 3,12 9.025,14 0.599,15 3.538,16 1.927,17 7.821,18 4,20 1.771,21 1.936,22 3.995,23 7.233,24 9.105,26 16,27 9.422,28 4.002,29 1.752,30 4.038,31 3.426,34 3.924,36 1.776,37 3.909,38 1.409,39 4.644,41 2,42 3.389,43 1.56,44 0.218,45 1.181,46 7.429,47 5.569,48 3,49 6.652,50 0.883,52 2.04,53 4.414,54 1.461,55 2.11,56 6.151,57 7.032,58 3.777,59 43.823,62 3.881,63 1.075,64 41,65 4.746,66 0.821,68 1.547,69 24.608,70 4.48,71 5}
{0 CHEMBL2006276,1 2,7 72.127,10 3,11 3,12 9.778,14 0.575,15 3.773,16 1.851,17 8.449,18 8,20 1.907,21 1.874,22 3.876,23 6.552,24 10.098,25 2,26 16,27 7.082,28 3.915,29 1.91,30 3.891,31 3.117,32 1.549,33 1.534,34 3.778,35 1.558,36 1.892,37 3.783,38 1.241,39 4.735,40 2.117,41 2,42 3.155,43 1.527,44 0.297,45 1.242,46 10.176,47 6.256,48 3,49 7.515,50 0.927,51 1.603,52 1.985,53 4.452,54 1.418,55 2.231,56 6.705,57 7.686,58 3.846,59 45.903,60 1.663,61 1.734,62 3.958,63 0.966,64 44,65 4.838,66 0.798,67 1,68 1.573,69 20.71,70 4.57,71 5.6}
{0 CHEMBL2006299,1 2,7 38.211,10 1,11 1,12 10.413,14 0.681,15 3.94,16 1.878,17 9.978,18 2,19 7,20 1.848,21 1.902,22 3.914,23 7.573,24 10.814,25 2,26 18,27 7.872,28 3.94,29 1.851,30 4.73,31 3.19,32 1.594,33 1.614,34 3.844,35 1.674,36 1.837,37 3.842,38 1.338,39 4.665,40 2.162,41 3,42 3.214,43 1.51,44 0.218,45 1.181,46 9.469,47 6.172,48 5,49 7.371,50 0.866,51 1.758,52 2.006,53 4.445,54 1.497,55 2.321,56 6.068,57 7.584,58 3.823,59 46.737,60 1.859,61 1.973,62 3.929,63 -0.383,64 44,65 4.749,66 0.821,68 1.596,69 20.189,70 4.49,71 8.5}
{0 CHEMBL2006439,1 1,3 1,4 0.444,6 4,7 44.877,8 1,9 1,10 2,11 2,12 10.995,14 0.825,15 3.809,16 1.812,17 12.059,18 4,19 7,20 1.88,21 1.865,22 3.891,23 8.647,24 8.99,25 1,26 18,27 7.805,28 3.952,29 1.899,30 4.63,31 3.218,32 0.05,33 0.008,34 3.757,35 0.001,36 1.791,37 3.751,38 1.386,39 4.917,40 0.8,41 3,42 3.223,43 1.501,44 0.496,45 1.457,46 7.646,47 6.469,48 3,49 7.826,50 0.847,52 1.994,53 4.564,54 1.441,55 2.72,56 8.26,57 7.978,58 3.831,59 46.342,62 3.961,63 0.321,64 44,65 4.866,66 0.663,67 1,68 1.544,69 24.927,70 4.667,71 7.8}
{0 CHEMBL2006450,1 1,7 61.988,9 1,10 2,11 2,12 9.347,14 0.772,15 3.674,16 1.747,17 9.797,18 4,19 6,20 1.893,21 1.787,22 3.844,23 7.778,24 8.894,25 1,26 17,27 7.05,28 3.887,29 1.874,30 4.301,31 3.227,32 2.904,33 4.037,34 3.709,35 5.25,36 1.859,37 3.722,38 1.409,39 4.743,40 3.306,41 2,42 3.233,43 1.513,44 0.302,45 1.23,46 7.646,47 6.114,48 5,49 7.315,50 0.908,51 6.501,52 1.949,53 4.465,54 1.552,55 2.6,56 6.652,57 7.52,58 3.788,59 45.053,60 7.771,61 9.051,62 3.91,63 0.321,64 42,65 4.68,66 0.639,67 1,68 1.624,69 19.909,70 4.523,71 7.5}
{0 CHEMBL2006481,1 1,6 4,7 43.406,10 1,11 1,12 9.403,14 0.717,15 3.632,16 1.764,17 10.236,18 2,19 5,20 1.629,21 1.824,22 3.905,23 7.369,24 7.104,25 1,26 16,27 7.297,28 3.951,29 1.66,30 4.209,31 3.147,32 1.511,33 1.739,34 3.725,35 1.993,36 1.583,37 3.744,38 1.311,39 4.772,40 2.293,41 3,42 3.169,43 1.555,44 0.407,45 1.347,46 5.331,47 6.016,48 2,49 7.293,50 0.825,51 2.264,52 2.019,53 4.485,54 1.429,55 2.478,56 4.618,57 7.393,58 3.778,59 42.903,60 2.551,61 2.851,62 3.893,63 -0.265,64 41,65 4.777,66 0.734,67 1,68 1.513,69 21.952,70 4.552,71 5}
{0 CHEMBL2006493,6 2,7 15.363,12 5.019,14 0.492,15 3.15,16 1.741,17 6.213,20 1.462,21 1.771,22 3.792,23 4.751,24 3.379,26 9,27 2.614,28 3.822,29 1.524,30 2.537,31 2.881,32 5.459,33 8.062,34 3.692,35 10.735,36 1.388,37 3.693,38 1.033,39 4.484,40 5.335,41 1,42 2.901,43 1.613,44 0.081,45 0.952,46 3.554,47 4.772,49 5.911,50 0.595,51 13.417,52 1.904,53 4.228,54 1.191,55 1.843,56 2.823,57 5.947,58 3.531,59 33.139,60 16.1,61 18.783,62 3.593,63 -0.689,64 31,65 4.5,66 0.124,68 1.318,69 14.082,70 4.352,71 5}
{0 CHEMBL2006564,3 1,4 0.482,6 7,7 73.263,8 1,10 3,11 3,12 10.312,14 0.825,15 3.978,16 1.735,17 9.693,18 4,19 4,20 1.783,21 1.781,22 3.928,23 8.798,24 11.899,25 1,26 21,27 9.734,28 3.967,29 1.774,30 5.126,31 3.409,32 2.973,33 4.132,34 3.824,35 5.382,36 1.797,37 3.832,38 1.339,39 4.885,40 3.348,41 3,42 3.423,43 1.517,44 0.697,45 1.487,46 11.981,47 6.999,48 6,49 8.426,50 0.928,51 6.67,52 1.941,53 4.677,54 1.606,55 2.989,56 7.212,57 8.628,58 3.969,59 53.604,60 7.976,61 9.292,62 4.111,63 1.012,64 50,65 4.838,66 0.933,67 1,68 1.663,69 21.656,70 4.648,71 6.5}
{0 CHEMBL2006567,7 60.652,10 3,11 3,12 5.206,14 0.542,15 3.009,16 1.445,17 3.809,18 4,19 1,20 1.546,21 1.488,22 3.724,23 4.513,24 3.841,26 10,27 4.031,28 3.744,29 1.528,30 2.308,31 2.97,32 3.961,33 5.291,34 3.694,35 6.657,36 1.568,37 3.652,38 1.294,39 4.187,40 4.069,41 2,42 2.992,43 1.624,45 1.081,46 4.851,47 4.095,48 2,49 4.891,50 0.641,51 8.039,52 1.714,53 3.996,54 1.274,55 1.456,56 3.753,57 5.143,58 3.444,59 31.368,60 9.429,61 10.824,62 3.553,63 1.251,64 29,65 4.232,66 0.27,68 1.25,69 10.464,70 4.026,71 5}
{0 CHEMBL2006580,7 26.946,10 2,11 2,12 4.134,14 0.218,15 2.761,16 1.733,17 3.891,18 5,20 1.456,21 1.756,22 3.871,23 3.047,24 4.334,25 1,26 8,27 2.09,28 3.892,29 1.396,30 1.748,31 2.859,32 0.05,33 0.008,34 3.807,35 0.001,36 1.308,37 3.801,38 0.965,39 4.147,40 0.8,41 2,42 2.88,43 1.516,44 0.016,45 0.886,46 3.018,47 4.136,48 2,49 5.011,50 0.559,52 1.866,53 3.937,54 1.107,55 1.368,56 2.735,57 5.219,58 3.424,59 28.814,62 3.503,63 0.483,64 28,65 4.148,67 1,68 1.181,69 11.356,70 4.011,71 5}
{0 CHEMBL2006581,6 3,7 36.291,10 5,11 5,12 8.694,14 0.692,15 3.431,16 1.81,17 8.621,18 2,19 2,20 1.738,21 1.83,22 3.918,23 7.27,24 8.502,26 17,27 8.825,28 3.938,29 1.716,30 4.004,31 3.277,32 1.594,33 1.614,34 3.797,35 1.674,36 1.778,37 3.811,38 1.452,39 4.713,40 2.162,41 2,42 3.283,43 1.607,44 0.165,45 1.192,46 8.408,47 5.754,48 6,49 6.924,50 0.898,51 1.758,52 1.957,53 4.478,54 1.578,55 2.268,56 7.33,57 7.251,58 3.85,59 47.601,60 1.859,61 1.973,62 3.948,63 2.726,64 43,65 4.726,66 0.684,67 1,68 1.549,69 26.241,70 4.558,71 5}
{0 CHEMBL2006631,7 37.54,10 2,11 2,12 12.887,14 0.856,15 3.882,16 1.86,17 11.968,18 5,19 5,20 1.936,21 1.888,22 3.982,23 8.544,24 12.55,26 19,27 10.642,28 3.993,29 1.922,30 4.93,31 3.553,32 1.284,33 1.342,34 3.905,35 1.423,36 1.878,37 3.885,38 1.571,39 4.884,40 2.117,41 2,42 3.508,43 1.59,44 0.415,45 1.333,46 13.069,47 6.954,48 3,49 8.334,50 1.036,51 1.51,52 1.996,53 4.618,54 1.415,55 2.579,56 10.978,57 8.726,58 3.964,59 52.365,60 1.599,61 1.69,62 4.059,63 0.247,64 50,65 5.114,66 0.84,67 3,68 1.75,69 32.343,70 4.749,71 5}
{0 CHEMBL2006674,1 3,3 1,4 0.304,6 4,7 58.059,8 1,10 2,11 2,12 16.567,14 1.062,15 4.287,16 1.85,17 16.127,18 3,19 10,20 1.952,21 1.899,22 4,23 12.227,24 16.708,25 3,26 28,27 13.158,28 4.043,29 1.96,30 7.106,31 3.39,32 0.607,33 0.359,34 3.828,35 0.214,36 1.923,37 3.849,38 1.603,39 5.242,40 1.457,41 3,42 3.386,43 1.501,44 0.724,45 1.488,46 15.896,47 8.298,48 7,49 10.019,50 1.115,51 0.129,52 2.073,53 4.91,54 1.708,55 3.762,56 18.854,57 10.205,58 4.143,59 64.976,60 0.079,61 0.048,62 4.281,63 0.262,64 60,65 5.294,66 0.992,68 1.793,69 35.886,70 4.994,71 5.4}
{0 CHEMBL2006715,1 1,6 2,7 64.067,10 2,11 2,12 12.874,14 1.038,15 4.294,16 1.875,17 13.478,18 5,19 7,20 1.961,21 1.905,22 3.978,23 10.238,24 12.408,25 1,26 23,27 8.916,28 4.017,29 1.967,30 5.778,31 3.779,32 3.091,33 4.176,34 3.875,35 5.396,36 1.948,37 3.878,38 1.765,39 5.277,40 3.348,41 6,42 3.766,43 1.567,44 0.708,45 1.59,46 15.412,47 10.982,48 7,49 13.371,50 1.09,51 6.674,52 2.016,53 4.983,54 1.775,55 3.991,56 14.507,57 13.637,58 4.347,59 75.243,60 7.977,61 9.292,62 4.448,63 0.149,64 73,65 5.262,66 1.288,67 1,68 1.849,69 28.931,70 5.095,71 5}
{0 CHEMBL2006765,6 2,7 79.752,10 4,11 4,12 8.728,14 0.776,15 3.745,16 1.769,17 9.783,18 7,19 3,20 1.862,21 1.806,22 3.926,23 8.09,24 8.414,26 19,27 7.975,28 3.956,29 1.836,30 4.519,31 3.318,32 4.577,33 6.667,34 3.846,35 8.85,36 1.857,37 3.849,38 1.473,39 4.94,40 4.53,41 2,42 3.363,43 1.508,44 0.535,45 1.454,46 8.982,47 6.936,48 7,49 8.367,50 0.988,51 11.055,52 1.948,53 4.688,54 1.637,55 2.807,56 8.601,57 8.47,58 3.972,59 54.54,60 13.264,61 15.474,62 4.106,63 1.768,64 49,65 4.868,66 0.821,68 1.638,69 22.288,70 4.707,71 6.8}
{0 CHEMBL2006778,1 1,7 52.669,10 4,11 4,12 10.818,14 0.74,15 3.726,16 1.848,17 8.964,18 5,19 3,20 1.803,21 1.864,22 4.025,23 7.884,24 10.93,25 1,26 17,27 7.32,28 4.046,29 1.8,30 4.269,31 3.343,32 1.255,33 1.338,34 3.974,35 1.422,36 1.804,37 3.962,38 1.55,39 4.72,40 2.117,41 2,42 3.35,43 1.576,44 0.498,45 1.346,46 8.854,47 6.62,48 3,49 7.955,50 0.884,51 1.51,52 1.952,53 4.528,54 1.539,55 2.444,56 8.543,57 8.294,58 3.905,59 49.369,60 1.599,61 1.69,62 4.018,63 1.698,64 47,65 4.847,66 0.843,68 1.723,69 24.518,70 4.566,71 5.3}
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{0 CHEMBL2006836,7 59.614,10 2,11 2,12 9.4,14 0.861,15 4.023,16 1.89,17 8.554,18 2,19 9,20 1.946,21 1.913,22 4.029,23 7.611,24 9.783,26 17,27 6.838,28 4.068,29 1.946,30 4.134,31 3.597,32 3.821,33 5.089,34 3.908,35 6.44,36 1.94,37 3.922,38 1.577,39 4.901,40 4.069,41 3,42 3.61,43 1.679,44 0.504,45 1.43,46 10.772,47 8.184,48 3,49 9.884,50 1.061,51 7.828,52 2.015,53 4.662,54 1.572,55 2.958,56 12.858,57 10.155,58 4.073,59 56.82,60 9.233,61 10.646,62 4.161,63 0.206,64 55,65 5.062,66 0.973,67 1,68 1.746,69 21.62,70 4.768,71 5}
{0 CHEMBL2006933,1 3,7 29.286,10 1,11 1,12 5.491,14 0.469,15 3.086,16 1.635,17 5.063,18 1,20 1.505,21 1.655,22 3.699,23 4.523,24 5.626,25 3,26 10,27 4.206,28 3.727,29 1.445,30 2.563,31 3.052,32 5.027,33 7.185,34 3.636,35 9.348,36 1.523,37 3.613,38 1.158,39 4.148,40 5.9,41 1,42 2.995,43 1.691,45 0.928,46 5.051,47 4.132,48 1,49 4.97,50 0.624,51 11.511,52 1.775,53 3.992,54 1.057,55 1.46,56 2.537,57 5.253,58 3.429,59 29.787,60 13.675,61 15.838,62 3.513,63 -0.256,64 29,65 4.26,66 0.228,67 1,68 1.43,69 11.185,70 4.033,71 6.3}
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{0 CHEMBL2007044,1 1,6 6,7 91.91,10 1,11 1,12 13.536,14 0.869,15 4.243,16 1.84,17 12.273,18 2,19 8,20 1.915,21 1.868,22 3.873,23 9.569,24 14.045,25 1,26 21,27 9.376,28 3.905,29 1.902,30 5.563,31 3.469,32 3.628,33 4.977,34 3.793,35 6.381,36 1.928,37 3.799,38 1.515,39 4.886,40 4.069,41 2,42 3.476,43 1.588,44 0.667,45 1.547,46 10.516,47 7.617,48 4,49 9.133,50 1.052,51 7.798,52 1.966,53 4.688,54 1.638,55 3.31,56 10.583,57 9.428,58 3.981,59 54.813,60 9.218,61 10.638,62 4.106,63 -0.394,64 52,65 4.98,66 0.963,68 1.725,69 24.466,70 4.681,71 5}
{0 CHEMBL2007064,7 57.516,10 3,11 3,12 11.289,14 0.81,15 3.826,16 1.733,17 9.818,18 8,19 7,20 1.825,21 1.765,22 3.935,23 8.504,24 12.3,26 18,27 8.029,28 3.968,29 1.835,30 4.666,31 3.282,32 3.693,33 5.217,34 3.847,35 6.852,36 1.799,37 3.852,38 1.411,39 4.703,40 3.925,41 2,42 3.297,43 1.59,44 0.266,45 1.254,46 11.249,47 5.958,48 4,49 7.167,50 0.901,51 8.526,52 1.904,53 4.47,54 1.556,55 2.425,56 8.604,57 7.417,58 3.811,59 45.946,60 10.216,61 11.912,62 3.922,63 0.989,64 43,65 4.833,66 0.746,68 1.669,69 21.861,70 4.528,71 5.7}
{0 CHEMBL2007124,7 78.332,10 3,11 3,12 7.502,14 0.356,15 3.448,16 1.874,17 6.982,18 5,19 8,20 1.815,21 1.9,22 3.922,23 5.497,24 6.13,26 13,27 4.609,28 3.952,29 1.84,30 3.145,31 3.159,32 5.472,33 8.066,34 3.844,35 10.736,36 1.76,37 3.846,38 1.28,39 4.685,40 5.335,41 3,42 3.217,43 1.53,44 0.218,45 1.181,46 6.125,47 6.179,48 3,49 7.491,50 0.759,51 13.417,52 1.999,53 4.44,54 1.321,55 2.117,56 4.88,57 7.558,58 3.829,59 45.922,60 16.1,61 18.783,62 3.936,63 1.018,64 42,65 4.753,66 0.713,68 1.395,69 18.428,70 4.516,71 5.4}
{0 CHEMBL2007151,3 2,4 1.176,6 12,7 48.193,8 2,10 2,11 2,12 24.978,14 1.124,15 4.765,16 1.868,17 22.229,18 1,19 13,20 1.988,21 1.917,22 3.92,23 16.536,24 26.812,25 1,26 35,27 16.33,28 3.975,29 1.978,30 9.377,31 3.716,32 1.603,33 1.778,34 3.848,35 1.991,36 2.005,37 3.843,38 1.735,39 5.464,40 2.302,41 5,42 3.721,43 1.517,44 0.866,45 1.749,46 27.525,47 10.63,48 6,49 12.881,50 1.172,51 2.225,52 2.038,53 5.126,54 1.793,55 4.646,56 21.262,57 13.181,58 4.353,59 79.929,60 2.473,61 2.73,62 4.484,63 0.093,64 76,65 5.556,66 1.137,67 1,68 1.86,69 46.151,70 5.23,71 6}
{0 CHEMBL2007266,7 72.641,10 5,11 5,12 16.34,14 0.987,15 4.383,16 1.88,17 15.02,18 5,19 13,20 1.933,21 1.906,22 3.96,23 11.811,24 16.224,26 27,27 12.17,28 4.014,29 1.934,30 6.774,31 3.761,32 2.508,33 3.275,34 3.859,35 4.165,36 1.926,37 3.863,38 1.685,39 5.198,40 2.912,41 4,42 3.767,43 1.525,44 0.681,45 1.538,46 15.303,47 9.553,48 8,49 11.508,50 1.122,51 5.114,52 2.012,53 4.924,54 1.642,55 3.668,56 13.411,57 11.75,58 4.271,59 72.316,60 6.092,61 7.084,62 4.396,63 2.216,64 68,65 5.278,66 1.195,67 1,68 1.859,69 34.477,70 5.003,71 5.4}
{0 CHEMBL2007296,1 2,3 1,4 -0.109,6 5,7 60.883,8 1,10 1,11 1,12 13.69,14 0.87,15 4.276,16 1.892,17 13.539,18 3,19 9,20 1.858,21 1.916,22 3.927,23 10.584,24 14.231,25 2,26 24,27 10.659,28 3.953,29 1.858,30 6.409,31 3.426,32 1.594,33 1.614,34 3.858,35 1.674,36 1.896,37 3.856,38 1.598,39 4.959,40 2.162,41 3,42 3.412,43 1.496,44 0.462,45 1.342,46 13.649,47 7.437,48 7,49 8.85,50 1.123,51 1.758,52 2.02,53 4.673,54 1.672,55 3.237,56 11.334,57 9.129,58 3.996,59 56.983,60 1.859,61 1.973,62 4.113,63 -0.419,64 53,65 4.98,66 0.821,68 1.837,69 26.461,70 4.75,71 7.6}
{0 CHEMBL2007372,1 2,7 48.265,10 3,11 3,12 14.641,14 0.801,15 4.142,16 1.813,17 13.188,18 2,19 1,20 1.975,21 1.858,22 3.855,23 10.053,24 13.03,25 2,26 24,27 10.867,28 3.902,29 1.967,30 5.916,31 3.568,32 0.097,33 0.016,34 3.759,35 0.003,36 1.928,37 3.767,38 1.688,39 5.064,40 0.8,41 3,42 3.579,43 1.541,44 0.546,45 1.417,46 12.759,47 7.885,48 7,49 9.411,50 1.001,52 1.988,53 4.82,54 1.619,55 3.097,56 14.68,57 9.728,58 4.117,59 62.774,62 4.249,63 0.908,64 58,65 5.308,66 0.836,68 1.798,69 37.129,70 4.864,71 5}
{0 CHEMBL2007375,1 1,7 66.555,10 2,11 2,12 6.68,14 0.618,15 3.539,16 1.802,17 6.123,18 3,19 5,20 1.72,21 1.838,22 3.909,23 5.635,24 6.523,25 1,26 13,27 4.577,28 3.949,29 1.717,30 3.172,31 3.235,32 5.464,33 8.065,34 3.773,35 10.736,36 1.744,37 3.79,38 1.357,39 4.616,40 5.335,41 2,42 3.252,43 1.523,44 0.238,45 1.188,46 6.991,47 6.229,48 2,49 7.51,50 0.715,51 13.417,52 1.973,53 4.447,54 1.471,55 2.206,56 4.894,57 7.65,58 3.818,59 45.713,60 16.1,61 18.783,62 3.924,63 0.304,64 42,65 4.637,66 0.673,68 1.583,69 13.77,70 4.449,71 5.4}
{0 CHEMBL2007421,1 2,3 2,4 -0.209,6 9,7 86.228,8 2,10 3,11 3,12 9.705,14 0.757,15 3.692,16 1.702,17 8.457,18 3,19 2,20 1.855,21 1.743,22 3.895,23 7.749,24 8.721,25 2,26 19,27 7.85,28 3.943,29 1.843,30 4.476,31 3.39,32 0.924,33 0.682,34 3.728,35 0.512,36 1.786,37 3.754,38 1.452,39 4.872,40 1.72,41 3,42 3.381,43 1.513,44 0.469,45 1.417,46 9.767,47 6.597,48 7,49 7.896,50 0.817,51 0.387,52 1.9,53 4.634,54 1.595,55 2.692,56 7.681,57 8.163,58 3.951,59 52.888,60 0.293,61 0.221,62 4.082,63 1.055,64 48,65 4.846,66 0.754,67 2,68 1.678,69 23.396,70 4.66,71 5.7}
{0 CHEMBL2007479,6 2,7 16.501,10 3,11 3,12 8.559,14 0.611,15 3.543,16 1.633,17 9.118,18 2,19 3,20 1.641,21 1.703,22 3.799,23 7.552,24 6.926,26 17,27 7.959,28 3.842,29 1.665,30 4.373,31 3.032,32 0.05,33 0.008,34 3.744,35 0.001,36 1.608,37 3.702,38 1.353,39 4.588,40 0.8,41 2,42 3.038,43 1.515,44 0.218,45 1.181,46 6.563,47 5.146,48 6,49 6.095,50 0.77,52 1.925,53 4.328,54 1.316,55 2.294,56 5.755,57 6.333,58 3.657,59 40.531,62 3.786,63 1.148,64 37,65 4.525,66 0.44,68 1.514,69 22.079,70 4.352,71 5.4}
{0 CHEMBL2007559,6 2,7 63.395,10 3,11 3,12 8.507,14 0.779,15 3.619,16 1.762,17 9.469,18 4,19 3,20 1.859,21 1.791,22 3.919,23 8.074,24 8.3,26 18,27 7.232,28 3.943,29 1.835,30 4.477,31 3.334,32 4.577,33 6.667,34 3.855,35 8.85,36 1.824,37 3.85,38 1.458,39 4.893,40 4.53,41 2,42 3.367,43 1.508,44 0.536,45 1.382,46 8.897,47 6.841,48 7,49 8.266,50 0.974,51 11.055,52 1.929,53 4.65,54 1.498,55 2.759,56 8.882,57 8.467,58 3.948,59 52.962,60 13.264,61 15.474,62 4.067,63 1.023,64 48,65 4.809,66 0.821,68 1.62,69 21.76,70 4.672,71 5.4}
{0 CHEMBL2007574,1 1,7 32.204,9 1,10 3,11 3,12 3.478,14 0.272,15 2.947,16 1.686,17 3.672,18 2,20 1.609,21 1.73,22 3.782,23 3.08,24 4.202,25 1,26 8,27 2.688,28 3.834,29 1.627,30 1.602,31 2.775,34 3.622,36 1.523,37 3.642,38 1.024,39 4.135,41 2,42 2.798,43 1.523,45 0.87,46 3.64,47 3.974,48 1,49 4.811,50 0.495,52 1.896,53 3.959,54 1.131,55 1.325,56 1.917,57 4.92,58 3.391,59 28.266,62 3.511,63 1.309,64 27,65 4.041,67 1,68 1.251,69 6.917,70 3.958,71 8.5}
{0 CHEMBL2007592,7 33.183,10 1,11 1,12 8.767,14 0.695,15 3.535,16 1.821,17 10.323,18 2,19 10,20 1.838,21 1.858,22 3.902,23 7.272,24 5.759,26 14,27 6.052,28 3.931,29 1.871,30 3.713,31 3.281,32 2.344,33 3.143,34 3.851,35 4.023,36 1.68,37 3.839,38 1.222,39 4.732,40 2.86,41 2,42 3.239,43 1.594,44 0.318,45 1.211,46 5.225,47 6.23,48 1,49 7.598,50 0.911,51 4.946,52 1.991,53 4.455,54 1.348,55 2.464,56 5.237,57 7.789,58 3.768,59 41.199,60 5.892,61 6.852,62 3.871,63 -0.284,64 41,65 4.682,66 0.79,68 1.427,69 23.364,70 4.542,71 5}
{0 CHEMBL2007603,1 1,7 57.729,10 2,11 2,12 5.337,14 0.328,15 3.235,16 1.802,17 4.947,18 3,19 4,20 1.646,21 1.838,22 3.909,23 4.178,24 4.812,25 1,26 10,27 2.913,28 3.949,29 1.679,30 2.401,31 3.127,32 5.464,33 8.065,34 3.773,35 10.736,36 1.613,37 3.79,38 1.248,39 4.574,40 5.335,41 2,42 3.182,43 1.526,44 0.117,45 1.127,46 4.25,47 5.557,48 2,49 6.782,50 0.647,51 13.417,52 1.973,53 4.337,54 1.316,55 1.866,56 3.521,57 6.813,58 3.717,59 40.637,60 16.1,61 18.783,62 3.818,63 0.391,64 37,65 4.553,66 0.603,68 1.372,69 11.708,70 4.4,71 5.4}
{0 CHEMBL2017214,2 1,4 0.746,6 1,7 66.425,8 1,10 3,11 3,12 13.765,13 1,14 0.934,15 4.258,16 1.828,17 14.258,18 2,20 1.937,21 1.857,22 3.897,23 11.432,24 13.291,25 1,26 26,27 12.52,28 3.95,29 1.934,30 6.603,31 3.562,32 5.031,33 7.185,34 3.826,35 9.348,36 1.894,37 3.811,38 1.463,39 5.128,40 5.9,41 4,42 3.574,43 1.592,44 0.825,45 1.513,46 13.428,47 8.321,48 7,49 10.071,50 1.084,51 11.511,52 1.972,53 4.883,54 1.493,55 3.454,56 15.941,57 10.395,58 4.14,59 63.643,60 13.675,61 15.838,62 4.28,63 0.933,64 60,65 5.136,66 1.064,68 1.694,69 33.319,70 4.885,71 4.398}
{0 CHEMBL2022282,1 4,7 54.2,10 1,11 1,12 3.833,14 0.218,15 2.784,16 1.746,17 3.856,18 3,20 1.392,21 1.781,22 3.815,23 2.801,24 3.065,25 4,26 8,27 2.452,28 3.854,29 1.439,30 1.822,31 2.735,32 1.255,33 1.338,34 3.71,35 1.422,36 1.295,37 3.716,38 0.886,39 4.065,40 2.117,41 2,42 2.715,43 1.516,45 0.808,46 2.324,47 3.687,48 2,49 4.431,50 0.275,51 1.51,52 1.905,53 3.847,54 1.013,55 1.261,56 2.435,57 4.545,58 3.305,59 26.894,60 1.599,61 1.69,62 3.405,63 -0.168,64 25,65 4.013,68 1.181,69 12.525,70 3.904,71 4.14}
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{0 CHEMBL2023149,1 1,6 2,7 51.486,10 2,11 2,12 10.383,14 0.633,15 3.814,16 1.889,17 9.927,18 4,19 6,20 1.804,21 1.919,22 3.924,23 7.689,24 9.277,25 1,26 18,27 8.196,28 3.96,29 1.812,30 4.584,31 3.2,32 2.511,33 3.388,34 3.861,35 4.358,36 1.789,37 3.852,38 1.311,39 4.698,40 2.972,41 2,42 3.217,43 1.502,44 0.334,45 1.292,46 7.769,47 5.799,48 4,49 6.929,50 0.928,51 5.372,52 2.016,53 4.463,54 1.463,55 2.272,56 7.959,57 7.119,58 3.785,59 45.109,60 6.409,61 7.458,62 3.919,63 0.304,64 42,65 4.832,66 0.744,67 2,68 1.524,69 22.678,70 4.489,71 4.668}
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{0 CHEMBL362558,1 1,6 4,7 56.34,10 1,11 1,12 18.108,14 1.101,15 4.301,16 1.863,17 17.249,18 2,19 6,20 2.013,21 1.902,22 4.094,23 11.806,24 17.043,25 1,26 25,27 10.829,28 4.138,29 2.012,30 6.502,31 3.636,32 2.939,33 3.709,34 3.952,35 4.644,36 1.991,37 3.975,38 1.707,39 5.352,40 3.033,41 4,42 3.653,43 1.619,44 0.825,45 1.547,46 18.469,47 10.2,48 2,49 12.5,50 1.149,51 5.666,52 2.036,53 5.033,54 1.754,55 4.077,56 16.926,57 12.666,58 4.286,59 71.11,60 6.733,61 7.823,62 4.399,63 -0.348,64 69,65 5.454,66 1.104,68 1.852,69 39.668,70 5.159,71 5}
{0 CHEMBL363648,1 1,7 50.929,10 1,11 1,12 12.351,14 0.991,15 4.141,16 1.881,17 12.174,18 2,19 8,20 1.93,21 1.906,22 3.919,23 9.845,24 11.207,25 1,26 21,27 9.328,28 3.946,29 1.923,30 5.665,31 3.602,32 1.255,33 1.338,34 3.849,35 1.422,36 1.912,37 3.846,38 1.589,39 4.865,40 2.117,41 4,42 3.573,43 1.523,44 0.434,45 1.356,46 11.523,47 7.674,48 5,49 9.161,50 1.063,51 1.51,52 2.007,53 4.629,54 1.504,55 3.119,56 14.293,57 9.543,58 3.996,59 55.361,60 1.599,61 1.69,62 4.103,63 -0.405,64 53,65 4.898,66 0.914,68 1.837,69 29.167,70 4.681,71 5}
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{0 CHEMBL373419,1 1,6 3,7 29.106,10 4,11 4,12 7.752,14 0.599,15 3.606,16 1.798,17 6.913,18 2,19 2,20 1.814,21 1.832,22 3.895,23 6.11,24 7.192,25 1,26 15,27 6.805,28 3.924,29 1.831,30 3.438,31 3.268,32 0.739,33 0.593,34 3.809,35 0.469,36 1.787,37 3.811,38 1.382,39 4.652,40 1.72,41 3,42 3.268,43 1.51,44 0.192,45 1.262,46 7.643,47 6.113,48 4,49 7.352,50 0.883,51 0.366,52 1.956,53 4.461,54 1.396,55 2.326,56 6.603,57 7.48,58 3.855,59 45.568,60 0.283,61 0.217,62 3.975,63 1.855,64 43,65 4.699,66 0.752,67 1,68 1.555,69 17.136,70 4.466,71 7.745}
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{0 CHEMBL374453,1 1,4 -0.416,6 3,7 73.092,8 1,10 3,11 3,12 11.548,14 0.739,15 3.692,16 1.902,17 9.452,18 8,19 7,20 1.845,21 1.925,22 3.993,23 7.46,24 10.508,25 1,26 16,27 5.467,28 4.017,29 1.841,30 3.905,31 3.242,32 3.068,33 4.097,34 3.928,35 5.275,36 1.823,37 3.925,38 1.315,39 4.838,40 3.31,41 3,42 3.276,43 1.594,44 0.383,45 1.345,46 10.496,47 6.842,48 3,49 8.314,50 0.961,51 6.516,52 2.012,53 4.544,54 1.526,55 2.514,56 10.958,57 8.589,58 3.912,59 49.206,60 7.784,61 9.064,62 4.017,63 0.953,64 47,65 4.952,66 0.824,67 1,68 1.577,69 25.079,70 4.686,71 8.097}
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{0 CHEMBL511410,1 2,3 1,4 -1.153,7 84.563,8 1,10 5,11 5,12 7.263,14 0.582,15 3.559,16 1.831,17 6.517,18 2,19 4,20 1.829,21 1.858,22 3.889,23 5.136,24 6.226,25 2,26 14,27 6.103,28 3.918,29 1.848,30 3.14,31 3.26,32 3.271,33 4.541,34 3.796,35 5.916,36 1.769,37 3.805,38 1.372,39 4.579,40 3.606,41 3,42 3.293,43 1.555,44 0.15,45 1.155,46 6.989,47 5.807,48 4,49 7.029,50 0.843,51 7.331,52 1.973,53 4.3,54 1.17,55 1.986,56 7.001,57 7.134,58 3.803,59 43.907,60 8.765,61 10.209,62 3.897,63 2.647,64 41,65 4.615,66 0.667,67 2,68 1.517,69 16.09,70 4.427,71 7.222}
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{0 CHEMBL519008,1 1,2 1,3 1,4 -0.521,5 1,6 3,7 87.343,8 1,10 3,11 3,12 13.427,13 1,14 0.911,15 4.177,16 1.903,17 11.837,18 8,19 14,20 1.969,21 1.927,22 4.011,23 9.583,24 14.837,25 1,26 22,27 9.539,28 4.045,29 1.964,30 5.613,31 3.606,32 2.179,33 2.256,34 3.92,35 2.4,36 1.979,37 3.927,38 1.677,39 5.03,40 2.274,41 4,42 3.619,43 1.541,44 0.567,45 1.469,46 15.206,47 8.542,48 5,49 10.289,50 1.075,51 2.595,52 2.018,53 4.785,54 1.597,55 3.141,56 15.896,57 10.558,58 4.147,59 62.987,60 2.833,61 3.105,62 4.26,63 0.811,64 60,65 5.163,66 1.043,67 1,68 1.809,69 28.514,70 4.861,71 7.337}
{0 CHEMBL519113,1 1,3 1,4 -0.183,6 3,7 54.2,8 1,10 2,11 2,12 8.653,14 0.774,15 3.892,16 1.849,17 8.768,19 4,20 1.842,21 1.876,22 3.932,23 6.817,24 9.562,25 1,26 17,27 7.451,28 3.958,29 1.863,30 4.281,31 3.541,32 0.722,33 0.469,34 3.841,35 0.302,36 1.795,37 3.845,38 1.455,39 4.717,40 1.59,41 4,42 3.553,43 1.526,44 0.341,45 1.35,46 8.656,47 6.79,48 4,49 8.186,50 0.887,51 0.194,52 1.983,53 4.468,54 1.598,55 2.538,56 8.147,57 8.372,58 3.91,59 49.03,60 0.124,61 0.079,62 4,63 0.231,64 47,65 4.683,66 0.737,67 1,68 1.66,69 17.275,70 4.534,71 4.301}
{0 CHEMBL519680,1 1,2 1,3 1,4 -0.485,5 1,6 3,7 87.343,8 1,10 3,11 3,12 12.379,13 1,14 0.911,15 4.118,16 1.903,17 11.533,18 8,19 16,20 1.971,21 1.928,22 4.009,23 8.92,24 12.582,25 1,26 20,27 8.61,28 4.044,29 1.959,30 5.126,31 3.606,32 2.046,33 2.168,34 3.92,35 2.344,36 1.993,37 3.925,38 1.678,39 4.992,40 2.274,41 4,42 3.617,43 1.54,44 0.408,45 1.461,46 13.55,47 8.167,48 4,49 9.854,50 1.074,51 2.561,52 2.018,53 4.7,54 1.596,55 2.988,56 15.791,57 10.076,58 4.072,59 58.362,60 2.813,61 3.094,62 4.189,63 0.822,64 56,65 5.094,66 0.945,67 1,68 1.811,69 26.539,70 4.811,71 6.979}
{0 CHEMBL519693,1 2,2 1,3 1,4 0.155,7 45.386,8 1,10 3,11 3,12 13.654,13 1,14 0.825,15 3.921,16 1.921,17 13.607,18 2,20 1.996,21 1.916,22 4.002,23 9.828,24 12.919,25 2,26 21,27 12.085,28 3.987,29 1.98,30 5.55,31 3.568,32 0.763,33 0.597,34 3.971,35 0.47,36 1.946,37 3.908,38 1.498,39 5.01,40 1.72,41 3,42 3.506,43 1.543,44 0.52,45 1.3,46 12.918,47 7.107,48 4,49 8.627,50 1.112,51 0.367,52 2.024,53 4.674,54 1.48,55 2.821,56 14.982,57 8.919,58 3.984,59 53.78,60 0.283,61 0.217,62 4.083,63 0.945,64 51,65 5.011,66 0.878,68 1.513,69 29.177,70 4.82,71 5.9}
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{0 CHEMBL519965,1 1,2 1,7 116.494,10 6,11 6,12 11.495,14 0.931,15 3.701,16 1.811,17 10.749,18 4,20 1.853,21 1.813,22 4.025,23 8.47,24 10.296,25 1,26 19,27 11.013,28 4.012,29 1.864,30 4.627,31 3.373,32 3.061,33 4.261,34 3.964,35 5.532,36 1.807,37 3.909,38 1.569,39 4.857,40 3.473,41 2,42 3.381,43 1.555,44 0.328,45 1.239,46 11.015,47 6.375,48 7,49 7.7,50 0.986,51 6.84,52 1.952,53 4.573,54 1.546,55 2.401,56 7.66,57 7.969,58 3.921,59 50.946,60 8.167,61 9.505,62 4.036,63 3.506,64 47,65 4.908,66 0.821,68 1.798,69 28.704,70 4.671,71 5}
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{0 CHEMBL523057,1 1,6 3,7 90.778,10 5,11 5,12 9.752,14 0.667,15 3.871,16 1.606,17 10.102,18 3,19 1,20 1.833,21 1.658,22 3.889,23 8.131,24 10.185,25 1,26 20,27 9.48,28 3.942,29 1.832,30 4.689,31 3.431,32 0.739,33 0.593,34 3.727,35 0.469,36 1.813,37 3.747,38 1.437,39 4.873,40 1.72,41 3,42 3.432,43 1.497,44 0.552,45 1.516,46 11.195,47 6.949,48 7,49 8.37,50 0.956,51 0.366,52 1.859,53 4.672,54 1.617,55 2.861,56 12.246,57 8.494,58 3.996,59 53.896,60 0.283,61 0.217,62 4.131,63 2.621,64 50,65 4.872,66 0.895,67 5,68 1.63,69 22.119,70 4.653,71 6.9}
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{0 CHEMBL523695,1 2,3 1,4 0.017,6 3,7 80.921,8 1,10 4,11 4,12 10.184,14 0.876,15 3.713,16 1.578,17 9.886,18 1,19 1,20 1.822,21 1.634,22 3.857,23 7.615,24 9.083,25 2,26 18,27 8.421,28 3.921,29 1.804,30 4.252,31 3.274,32 1.511,33 1.739,34 3.673,35 1.993,36 1.81,37 3.683,38 1.464,39 4.874,40 2.293,41 3,42 3.277,43 1.574,44 0.209,45 1.262,46 9.58,47 6.416,48 3,49 7.775,50 0.985,51 2.264,52 1.83,53 4.634,54 1.612,55 2.649,56 9.415,57 7.9,58 3.916,59 49.481,60 2.551,61 2.851,62 4.053,63 1.894,64 46,65 4.946,66 0.694,67 3,68 1.667,69 24.955,70 4.652,71 8.301}
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{0 CHEMBL526133,1 1,7 60.507,10 2,11 2,12 7.243,14 0.407,15 3.544,16 1.875,17 7.029,18 4,19 6,20 1.745,21 1.9,22 3.94,23 5.097,24 6.907,25 1,26 12,27 5.077,28 3.973,29 1.774,30 2.956,31 3.129,32 2.509,33 3.375,34 3.867,35 4.328,36 1.675,37 3.866,38 1.309,39 4.501,40 2.985,41 3,42 3.147,43 1.553,44 0.218,45 1.18,46 5.157,47 5.557,48 2,49 6.698,50 0.722,51 5.325,52 1.987,53 4.25,54 1.192,55 1.939,56 4.751,57 6.821,58 3.67,59 37.863,60 6.345,61 7.378,62 3.78,63 0.304,64 37,65 4.529,66 0.664,68 1.463,69 14.13,70 4.326,71 5.8}
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{0 CHEMBL566298,1 2,2 1,3 1,4 0.289,6 4,7 75.84,8 1,10 3,11 3,12 16.527,13 1,14 1.112,15 4.363,16 1.792,17 15.737,18 5,19 8,20 1.916,21 1.837,22 3.919,23 11.633,24 12.631,25 2,26 26,27 12.243,28 3.973,29 1.927,30 6.536,31 3.464,32 0.479,33 0.258,34 3.764,35 0.16,36 1.897,37 3.78,38 1.62,39 5.235,40 1.2,41 4,42 3.49,43 1.464,44 0.528,45 1.552,46 10.205,47 8.455,48 5,49 10.247,50 1.172,51 0.103,52 1.982,53 4.898,54 1.807,55 3.489,56 15.657,57 10.406,58 4.138,59 63.723,60 0.067,61 0.043,62 4.282,63 0.9,64 60,65 5.28,66 0.821,67 1,68 1.852,69 34.568,70 4.984,71 7.865}
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{0 CHEMBL570820,3 1,4 -0.012,6 3,7 72.222,8 1,10 2,11 2,12 12.837,14 0.898,15 3.805,16 1.83,17 11.376,18 4,19 1,20 1.882,21 1.863,22 3.931,23 8.811,24 12.863,25 1,26 20,27 6.879,28 3.966,29 1.894,30 4.908,31 3.175,32 2.548,33 3.397,34 3.859,35 4.36,36 1.852,37 3.85,38 1.549,39 4.993,40 2.972,41 3,42 3.198,43 1.577,44 0.51,45 1.361,46 13.146,47 7.106,48 2,49 8.612,50 1.021,51 5.373,52 1.966,53 4.731,54 1.57,55 2.862,56 13.1,57 8.888,58 3.995,59 54.702,60 6.409,61 7.458,62 4.123,63 0.318,64 51,65 5.13,66 0.83,67 2,68 1.725,69 33.663,70 4.794,71 7.292}
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{0 CHEMBL571948,1 1,3 1,4 -0.04,6 3,7 87.281,8 1,10 4,11 4,12 9.035,14 0.611,15 3.676,16 1.832,17 8.792,18 7,19 1,20 1.719,21 1.862,22 3.944,23 6.98,24 8.943,25 1,26 16,27 7.279,28 3.974,29 1.726,30 3.953,31 3.239,32 1.297,33 1.348,34 3.877,35 1.425,36 1.732,37 3.875,38 1.46,39 4.634,40 2.117,41 2,42 3.239,43 1.544,44 0.266,45 1.222,46 7.113,47 5.423,48 3,49 6.492,50 0.83,51 1.51,52 1.976,53 4.354,54 1.343,55 2.089,56 5.347,57 6.663,58 3.716,59 41.694,60 1.599,61 1.69,62 3.85,63 1.874,64 39,65 4.679,66 0.594,67 1,68 1.639,69 18.757,70 4.428,71 6.102}
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{0 CHEMBL611386,1 3,7 43.552,10 1,11 1,12 14.075,14 0.868,15 4.063,16 1.721,17 12.566,20 1.847,21 1.784,22 3.827,23 9.081,24 12.938,25 3,26 24,27 11.206,28 3.887,29 1.854,30 5.8,31 3.194,32 0.868,33 0.594,34 3.658,35 0.41,36 1.815,37 3.671,38 1.392,39 4.965,40 1.2,41 3,42 3.197,43 1.475,44 0.568,45 1.513,46 13.126,47 6.494,48 5,49 7.814,50 0.947,51 0.28,52 1.973,53 4.752,54 1.581,55 2.797,56 13.441,57 8.049,58 3.963,59 54.936,60 0.188,61 0.124,62 4.108,63 -0.26,64 50,65 5.109,66 0.804,68 1.687,69 29.333,70 4.73,71 5.854}
{0 CHEMBL67352,1 4,7 54.2,10 1,11 1,12 4.056,14 0.218,15 2.972,16 1.746,17 4.283,18 3,20 1.393,21 1.785,22 3.811,23 3.29,24 3.241,25 4,26 9,27 3.725,28 3.855,29 1.439,30 2.166,31 2.735,32 1.255,33 1.338,34 3.702,35 1.422,36 1.296,37 3.708,38 0.886,39 4.069,40 2.117,41 2,42 2.715,43 1.498,45 0.94,46 2.631,47 3.629,48 2,49 4.329,50 0.276,51 1.51,52 1.918,53 3.849,54 1.023,55 1.274,56 2.475,57 4.41,58 3.293,59 26.95,60 1.599,61 1.69,62 3.407,63 -0.2,64 25,65 4.019,68 1.181,69 9.59,70 3.878,71 4.122}
{0 CHEMBL7064,7 18.807,10 1,11 1,12 4.424,14 0.286,15 3.172,16 1.762,17 5.179,18 2,20 1.57,21 1.79,22 3.789,23 3.502,24 3.879,26 8,27 3.207,28 3.82,29 1.607,30 2.043,31 3.077,34 3.727,36 1.461,37 3.723,38 1.081,39 4.232,41 1,42 3.087,43 1.623,45 1.004,46 3.478,47 4.38,49 5.331,50 0.496,52 1.892,53 3.967,54 1.13,55 1.531,56 1.606,57 5.428,58 3.39,59 27.452,62 3.48,63 -0.314,64 28,65 4.248,66 0.148,68 1.223,69 9.351,70 4.091,71 5.7}
{0 CHEMBL91829,3 1,4 0.074,7 38.377,8 1,10 1,11 1,12 22.422,14 1.052,15 4.476,16 1.905,17 17.839,18 2,19 8,20 1.961,21 1.931,22 4.097,23 12.684,24 23.328,26 28,27 12.794,28 4.131,29 1.957,30 7.426,31 3.577,32 2.018,33 2.149,34 4.013,35 2.37,36 1.959,37 4.021,38 1.661,39 5.269,40 2.4,41 1,42 3.581,43 1.592,44 0.837,45 1.674,46 25.88,47 9.521,48 2,49 11.56,50 1.173,51 2.65,52 2.026,53 5.002,54 1.781,55 3.843,56 24.444,57 11.864,58 4.257,59 70.604,60 2.964,61 3.298,62 4.372,63 -0.401,64 68,65 5.47,66 1.128,68 1.823,69 41.743,70 5.087,71 5}
{0 CHEMBL939,7 54.527,10 1,11 1,12 14.647,14 1.031,15 4.016,16 1.835,17 12.9,18 3,19 1,20 1.945,21 1.855,22 3.889,23 9.846,24 15.459,25 1,26 24,27 10.201,28 3.909,29 1.946,30 6.061,31 3.346,32 1.567,33 1.31,34 3.819,35 1.087,36 1.923,37 3.819,38 1.507,39 5.085,40 1.72,41 3,42 3.362,43 1.511,44 0.59,45 1.513,46 13.425,47 7.97,48 8,49 9.718,50 1.069,51 0.89,52 1.991,53 4.851,54 1.604,55 3.258,56 11.646,57 9.925,58 4.125,59 62.472,60 0.718,61 0.571,62 4.233,63 -0.297,64 58,65 5.131,66 0.961,68 1.775,69 32.189,70 4.893,71 5.2}
{0 CHEMBL941,1 3,7 93.422,10 2,11 2,12 21.321,14 1.027,15 4.619,16 1.886,17 17.809,18 5,19 11,20 1.994,21 1.918,22 3.942,23 13.227,24 19.119,25 3,26 31,27 14.153,28 3.983,29 1.995,30 7.967,31 3.604,32 1.605,33 1.567,34 3.852,35 1.582,36 1.979,37 3.855,38 1.752,39 5.286,40 2.117,41 5,42 3.614,43 1.508,44 0.735,45 1.591,46 15.945,47 9.945,48 7,49 11.937,50 1.125,51 1.624,52 2.045,53 5.033,54 1.779,55 3.987,56 15.574,57 12.293,58 4.309,59 76.68,60 1.682,61 1.752,62 4.443,63 0.135,64 72,65 5.466,66 1.064,67 1,68 1.95,69 41.833,70 5.077,71 5.15}
{0 CHEMBL95692,1 1,2 1,3 1,4 0.342,7 56.756,8 1,10 1,11 1,12 11.673,13 1,14 0.825,15 3.886,16 1.791,17 11.685,18 2,20 1.894,21 1.844,22 3.849,23 8.601,24 12.052,25 2,26 20,27 8.968,28 3.89,29 1.916,30 5.096,31 3.38,32 0.763,33 0.597,34 3.741,35 0.47,36 1.83,37 3.747,38 1.309,39 4.941,40 1.72,41 4,42 3.409,43 1.519,44 0.572,45 1.471,46 12.268,47 6.906,48 4,49 8.354,50 0.872,51 0.367,52 1.988,53 4.677,54 1.517,55 2.782,56 13.248,57 8.507,58 3.948,59 52.362,60 0.283,61 0.217,62 4.072,63 -0.294,64 49,65 4.99,66 0.821,67 1,68 1.577,69 25.632,70 4.714,71 5}