@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5533

@attribute molecule_id {CHEMBL1076209,CHEMBL1077979,CHEMBL1080696,CHEMBL1080697,CHEMBL1094756,CHEMBL1096731,CHEMBL1096732,CHEMBL1096733,CHEMBL109860,CHEMBL1099162,CHEMBL1099228,CHEMBL129857,CHEMBL1651030,CHEMBL1651032,CHEMBL1651033,CHEMBL1651034,CHEMBL1651035,CHEMBL1782238,CHEMBL1782240,CHEMBL1782241,CHEMBL1782242,CHEMBL1782243,CHEMBL1782244,CHEMBL1782245,CHEMBL1782247,CHEMBL1782248,CHEMBL1782582,CHEMBL1782583,CHEMBL1782584,CHEMBL1801948,CHEMBL1801949,CHEMBL1801950,CHEMBL1801951,CHEMBL1950360,CHEMBL1950361,CHEMBL1950362,CHEMBL1950363,CHEMBL1950364,CHEMBL1950365,CHEMBL1950366,CHEMBL1950367,CHEMBL1950368,CHEMBL1950369,CHEMBL1950370,CHEMBL1950371,CHEMBL1950372,CHEMBL1950373,CHEMBL1950374,CHEMBL1950375,CHEMBL1950376,CHEMBL1950377,CHEMBL1950378,CHEMBL1950379,CHEMBL1950380,CHEMBL1950382,CHEMBL1950383,CHEMBL1950384,CHEMBL1950385,CHEMBL1950386,CHEMBL1950387,CHEMBL1950388,CHEMBL1950389,CHEMBL1950390,CHEMBL1950391,CHEMBL1950392,CHEMBL1950393,CHEMBL218163,CHEMBL218282,CHEMBL218434,CHEMBL256042,CHEMBL256061,CHEMBL256062,CHEMBL256204,CHEMBL256244,CHEMBL256403,CHEMBL256609,CHEMBL257234,CHEMBL257286,CHEMBL257446,CHEMBL258314,CHEMBL261706,CHEMBL269941,CHEMBL269942,CHEMBL270584,CHEMBL270605,CHEMBL270799,CHEMBL271233,CHEMBL271669,CHEMBL272552,CHEMBL272553,CHEMBL273147,CHEMBL273148,CHEMBL273149,CHEMBL323197,CHEMBL337665,CHEMBL384590,CHEMBL401504,CHEMBL402638,CHEMBL403183,CHEMBL403333,CHEMBL404128,CHEMBL404588,CHEMBL428064,CHEMBL429586,CHEMBL429599,CHEMBL438139,CHEMBL446072,CHEMBL447723,CHEMBL455091,CHEMBL462879,CHEMBL464524,CHEMBL465553,CHEMBL475118,CHEMBL487992,CHEMBL488606,CHEMBL514875,CHEMBL516519,CHEMBL540966,CHEMBL555196,CHEMBL561643}
@attribute N. numeric
@attribute NssNH numeric
@attribute SssNH numeric
@attribute nSO2N numeric
@attribute nN numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute CATS2D_06_LL numeric
@attribute AAC numeric
@attribute BIC0 numeric
@attribute IC0 numeric
@attribute SIC0 numeric
@attribute P_VSA_i_1 numeric
@attribute C.016 numeric
@attribute NdsCH numeric
@attribute nR.Cs numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SM09_EA.bo. numeric
@attribute SM10_EA.bo. numeric
@attribute SM11_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute nCconj numeric
@attribute C.028 numeric
@attribute N.070 numeric
@attribute NaaaC numeric
@attribute SaaaC numeric
@attribute SaaN numeric
@attribute P_VSA_m_4 numeric
@attribute CIC0 numeric
@attribute CATS2D_02_LL numeric
@attribute SM09_EA.ed. numeric
@attribute SM10_EA.ed. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute CIC1 numeric
@attribute P_VSA_i_4 numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute nPyridines numeric
@attribute CATS2D_04_LL numeric
@attribute P_VSA_s_5 numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute P_VSA_MR_7 numeric
@attribute NdssC numeric
@attribute SsCH3 numeric
@attribute SIC1 numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SM05_EA.ed. numeric
@attribute P_VSA_e_3 numeric
@attribute Eta_epsi_A numeric
@attribute SM14_EA.bo. numeric
@attribute SdsCH numeric
@attribute SM15_EA numeric
@attribute SdssC numeric
@attribute SpMax1_Bh.p. numeric
@attribute P_VSA_LogP_1 numeric
@attribute pXC50 numeric

@data
{6 4.567,7 4.567,8 7.567,9 4.567,10 33,11 1.404,12 0.199,13 1.404,14 0.207,16 3,17 3,18 3,19 3.913,20 5.913,21 3.913,22 14.8,23 16.319,24 17.743,25 19.242,26 20.702,27 2,34 5.391,35 29,36 24.298,37 26.865,38 0.068,39 3.189,41 17.098,42 18.303,43 19.506,45 31,47 0.058,50 28.429,51 5,52 16.828,53 0.531,54 0.203,55 14.166,57 0.61,58 22.195,59 5.449,60 19.894,61 1.35,62 4.08,63 92.368,64 4.699}
{0 CHEMBL1077979,6 4.196,7 4.196,8 7.196,9 4.196,10 12,11 1.45,12 0.25,13 1.45,14 0.26,16 4,17 4,18 4,19 3.731,20 5.731,21 3.731,22 13.023,23 14.517,24 15.846,25 17.306,26 18.686,27 6,34 4.135,35 9,36 21.657,37 24.063,38 0.155,39 1.841,41 14.968,42 16.08,43 17.177,45 7,47 0.138,50 37.905,51 2,52 3.062,53 0.67,54 0.404,55 12.216,57 0.628,58 20.131,59 5.604,60 17.46,61 -1.337,62 3.907,63 19.708,64 6.602}
{0 CHEMBL1080696,6 4.48,7 4.48,8 7.48,9 4.48,10 10,11 1.401,12 0.228,13 1.401,14 0.237,16 1,17 1,18 1,19 3.841,20 5.841,21 3.841,22 14.036,23 15.547,24 16.957,25 18.448,26 19.894,27 1,34 4.506,35 12,36 23.549,37 26.08,38 0.128,39 2.384,41 16.33,42 17.516,43 18.697,45 13,47 0.11,50 9.476,51 2,52 10.431,53 0.596,54 0.364,55 13.52,57 0.603,58 21.378,59 1.958,60 19.23,61 0.776,62 4.011,63 57.067,64 4.699}
{0 CHEMBL1080697,6 4.477,7 4.477,8 7.477,9 4.477,10 10,11 1.414,12 0.232,13 1.414,14 0.242,16 1,17 1,18 1,19 3.839,20 5.839,21 3.839,22 14.028,23 15.539,24 16.948,25 18.438,26 19.884,27 1,34 4.419,35 12,36 23.533,37 26.064,38 0.132,39 2.201,41 16.324,42 17.509,43 18.691,45 13,47 0.113,50 9.476,51 2,52 8.759,53 0.623,54 0.374,55 13.502,57 0.612,58 21.368,59 1.933,60 19.219,61 0.695,62 4.01,63 46.184,64 4.699}
{0 CHEMBL1094756,6 4.526,7 4.526,8 7.526,9 4.526,10 26,11 1.371,12 0.215,13 1.371,14 0.225,16 2,17 2,18 3,19 3.843,20 5.843,21 3.843,22 14.264,23 15.782,24 17.207,25 18.707,26 20.168,27 3,34 4.737,35 24,36 23.483,37 26.029,38 0.113,39 2.544,41 16.432,42 17.631,43 18.825,45 20,47 0.096,50 24.196,51 6,52 9.344,53 0.583,54 0.32,55 13.451,57 0.592,58 21.663,59 3.73,60 19.107,61 2.313,62 4.045,63 44.126,64 5.699}
{0 CHEMBL1096731,6 4.511,7 4.511,8 7.511,9 4.511,10 27,11 1.371,12 0.215,13 1.371,14 0.225,16 3,17 3,18 4,19 3.882,20 5.882,21 3.882,22 14.133,23 15.647,24 17.051,25 18.543,26 19.988,27 3,34 4.737,35 20,36 23.233,37 25.768,38 0.113,39 2.611,41 16.169,42 17.355,43 18.537,45 19,47 0.097,50 33.672,51 6,52 11.398,53 0.573,54 0.317,55 13.28,57 0.592,58 21.474,59 5.522,60 18.91,61 2.699,62 4.017,63 52.951,64 5}
{0 CHEMBL1096732,6 4.206,7 4.206,8 7.206,9 4.206,10 7,11 1.37,12 0.243,13 1.37,14 0.259,16 3,17 3,18 4,19 3.709,20 5.709,21 3.709,22 13.458,23 14.965,24 16.269,25 17.73,26 19.087,27 4,34 3.916,35 13,36 22.268,37 24.67,38 0.162,39 1.843,41 15.34,42 16.454,43 17.553,45 14,47 0.143,50 28.429,51 1,52 3.968,53 0.651,54 0.431,55 12.766,57 0.615,58 20.525,59 5.662,60 18.27,61 0.097,62 3.988,63 17.65,64 5}
{0 CHEMBL1096733,6 4.435,7 4.435,8 7.435,9 4.435,10 22,11 1.379,12 0.217,13 1.379,14 0.227,16 2,17 2,18 4,19 3.975,20 5.975,21 3.975,22 14.096,23 15.592,24 16.992,25 18.469,26 19.906,27 9,34 4.688,35 24,36 23.447,37 25.994,38 0.111,39 2.397,41 16.595,42 17.805,43 19.012,45 19,47 0.099,50 24.196,51 12,52 9.115,53 0.605,54 0.322,55 13.434,57 0.601,58 21.377,59 3.541,60 19.092,61 -0.047,62 4.031,63 44.126,64 5}
{0 CHEMBL109860,6 3.937,7 3.937,8 6.937,9 3.937,10 3,11 1.374,12 0.247,13 1.374,14 0.26,16 2,17 2,18 2,19 3.194,20 5.194,21 3.194,22 12.877,23 14.411,24 15.613,25 17.074,26 18.342,27 2,34 3.911,35 11,36 20.215,37 22.464,38 0.179,39 2.296,41 13.839,42 14.881,43 15.859,45 6,47 0.145,50 18.952,52 4.772,53 0.566,54 0.415,55 11.465,57 0.594,58 19.761,59 3.819,60 16.446,62 3.921,63 32.649,64 5}
{0 CHEMBL1099162,6 4.482,7 4.482,8 7.482,9 4.482,10 15,11 1.424,12 0.234,13 1.424,14 0.247,16 2,17 2,18 3,19 3.834,20 5.834,21 3.834,22 14.183,23 15.695,24 17.107,25 18.599,26 20.047,27 5,34 4.331,35 18,36 23.532,37 26.055,38 0.125,39 1.83,41 16.457,42 17.644,43 18.828,45 17,47 0.107,50 24.196,51 4,52 5.455,53 0.682,54 0.354,55 13.566,57 0.636,58 21.531,59 3.585,60 19.218,61 0.511,62 4.04,63 26.476,64 5.432}
{0 CHEMBL1099228,6 4.196,7 4.196,8 7.196,9 4.196,10 12,11 1.436,12 0.246,13 1.436,14 0.254,16 4,17 4,18 4,19 3.73,20 5.73,21 3.73,22 12.974,23 14.477,24 15.812,25 17.278,26 18.664,27 3,34 4.208,35 9,36 21.657,37 24.063,38 0.155,39 2.022,41 14.87,42 15.984,43 17.081,45 7,47 0.138,50 37.905,51 1,52 3.101,53 0.642,54 0.404,55 12.216,57 0.615,58 20.113,59 5.969,60 17.46,61 -0.691,62 3.908,63 19.708,64 4.301}
{0 CHEMBL129857,1 10,2 1,3 2.847,5 4,6 4.596,7 4.596,8 7.596,9 4.596,10 5,11 1.794,12 0.312,13 1.794,14 0.337,15 31.278,16 1,17 1,18 1,19 3.882,20 5.882,21 3.882,22 13.982,23 15.531,24 16.959,25 18.481,26 19.954,27 4,28 1,29 1,30 2,31 1.245,32 9.141,33 31.278,34 3.528,35 6,36 22.277,37 24.704,38 0.158,39 1.319,40 54.461,41 15.361,42 16.487,43 17.603,46 17.888,47 0.134,48 2,49 2,50 60.936,51 3,52 3.14,53 0.752,54 0.391,55 12.676,56 54.461,57 0.664,58 21.468,59 1.288,60 18.075,61 -0.479,62 4.011,63 19.708,64 5.796}
{0 CHEMBL1651030,6 4.467,7 4.467,8 7.467,9 4.467,10 18,11 1.462,12 0.22,13 1.462,14 0.228,19 4.505,20 6.505,21 4.505,22 13.895,23 15.416,24 16.779,25 18.272,26 19.691,34 4.947,35 17,36 26.71,37 29.672,38 0.086,39 2.894,41 18.02,42 19.389,43 20.759,45 16,47 0.087,51 1,52 5.537,53 0.548,54 0.373,55 14.951,57 0.638,58 21.174,60 21.341,61 -0.731,62 4.063,63 43.532,64 4.699}
{0 CHEMBL1651032,6 4.031,7 4.031,8 6.031,9 4.031,10 27,11 1.192,12 0.186,13 1.192,14 0.188,19 4.125,20 6.125,21 4.125,22 13.272,23 14.61,24 15.941,25 17.285,26 18.63,34 5.148,35 37,36 26.229,37 29.061,38 0.109,39 3.948,41 18.472,42 19.824,43 21.179,45 45,47 0.111,51 1,52 15.672,53 0.377,54 0.48,55 15.024,57 0.501,58 19.982,60 21.244,61 0.462,62 4.069,63 61.776,64 4.699}
{0 CHEMBL1651033,6 4.02,7 4.02,8 6.02,9 4.02,10 28,11 1.185,12 0.183,13 1.185,14 0.185,19 4.046,20 6.046,21 4.046,22 13.194,23 14.524,24 15.846,25 17.183,26 18.523,34 5.207,35 40,36 26.195,37 29.028,38 0.106,39 4.109,41 18.382,42 19.734,43 21.089,45 52,47 0.106,51 1,52 18.213,53 0.357,54 0.467,55 14.991,57 0.498,58 19.87,60 21.209,61 -0.004,62 4.07,63 70.602,64 4.699}
{0 CHEMBL1651034,6 4.02,7 4.02,8 6.02,9 4.02,10 28,11 1.185,12 0.183,13 1.185,14 0.185,19 4.046,20 6.046,21 4.046,22 13.194,23 14.524,24 15.846,25 17.183,26 18.523,34 5.207,35 40,36 26.195,37 29.028,38 0.106,39 4.109,41 18.382,42 19.734,43 21.089,45 52,47 0.106,51 1,52 18.213,53 0.357,54 0.467,55 14.991,57 0.498,58 19.87,60 21.209,61 -0.004,62 4.07,63 70.602,64 4.699}
{0 CHEMBL1651035,6 4.093,7 4.093,8 6.856,9 4.093,10 3,11 1.285,12 0.235,13 1.285,14 0.242,16 1,17 1,18 1,19 3.923,20 5.827,21 3.923,22 12.803,23 14.232,24 15.576,25 16.989,26 18.365,27 5,34 4.037,35 17,36 24.112,37 26.796,38 0.215,39 2.337,41 16.711,42 17.985,43 19.258,45 10,47 0.206,50 9.476,51 4,52 6.27,53 0.561,54 0.766,55 13.432,57 0.538,58 19.773,59 2.042,60 19.328,61 2.554,62 3.972,63 26.476,64 4.699}
{0 CHEMBL1782238,6 4.394,7 4.394,8 7.394,9 4.394,10 19,11 1.396,12 0.233,13 1.396,14 0.244,16 2,17 2,18 2,19 4.597,20 6.597,21 4.597,22 13.825,23 15.301,24 16.701,25 18.164,26 19.596,27 3,34 4.332,35 15,36 26.686,37 29.643,38 0.133,39 1.959,41 18.068,42 19.436,43 20.806,45 16,47 0.139,50 18.952,51 4,52 7.774,53 0.658,54 0.586,55 14.953,57 0.606,58 21.057,59 3.661,60 21.374,61 0.993,62 4.058,63 35.301,64 5}
{0 CHEMBL1782240,6 4.501,7 4.501,8 7.501,9 4.501,10 18,11 1.36,12 0.228,13 1.36,14 0.239,16 2,17 2,18 2,19 3.779,20 5.779,21 3.779,22 13.868,23 15.393,24 16.798,25 18.299,26 19.748,27 1,34 4.34,35 16,36 22.803,37 25.331,38 0.15,39 2.298,41 15.855,42 17.04,43 18.219,45 13,47 0.126,50 18.952,51 3,52 7.726,53 0.597,54 0.412,55 12.891,57 0.589,58 21.241,59 3.803,60 18.509,61 1.64,62 4.001,63 35.301,64 5.538}
{0 CHEMBL1782241,6 4.501,7 4.501,8 7.501,9 4.501,10 24,11 1.311,12 0.209,13 1.311,14 0.218,16 3,17 3,18 3,19 3.779,20 5.779,21 3.779,22 13.884,23 15.406,24 16.807,25 18.306,26 19.752,27 1,34 4.711,35 22,36 22.804,37 25.332,38 0.129,39 2.685,41 15.865,42 17.048,43 18.225,45 19,47 0.108,50 28.429,51 4,52 10.037,53 0.554,54 0.353,55 12.905,57 0.562,58 21.244,59 6.096,60 18.514,61 3.019,62 4.003,63 44.126,64 5}
{0 CHEMBL1782242,6 4.471,7 4.471,8 7.471,9 4.471,10 13,11 1.398,12 0.226,13 1.398,14 0.236,16 2,17 2,18 2,19 3.794,20 5.794,21 3.794,22 13.992,23 15.508,24 16.915,25 18.408,26 19.853,27 1,34 4.532,35 16,36 22.95,37 25.464,38 0.128,39 2.512,41 15.963,42 17.146,43 18.323,45 15,47 0.108,50 18.952,51 4,52 10.318,53 0.576,54 0.352,55 13.055,57 0.604,58 21.338,59 3.766,60 18.615,61 0.989,62 4.001,63 55.009,64 5}
{0 CHEMBL1782243,6 4.48,7 4.48,8 7.48,9 4.48,10 18,11 1.421,12 0.222,13 1.421,14 0.231,16 2,17 2,18 2,19 3.826,20 5.826,21 3.826,22 14.032,23 15.546,24 16.952,25 18.445,26 19.892,27 1,34 4.729,35 16,36 23.08,37 25.6,38 0.109,39 2.965,41 16,42 17.183,43 18.361,45 18,47 0.093,50 18.952,51 6,52 12.721,53 0.518,54 0.304,55 13.154,57 0.617,58 21.377,59 3.758,60 18.695,61 -0.376,62 4.006,63 72.659,64 5}
{0 CHEMBL1782244,6 4.537,7 4.537,8 7.537,9 4.537,10 13,11 1.347,12 0.216,13 1.347,14 0.224,16 2,17 2,18 2,19 3.813,20 5.813,21 3.813,22 14.128,23 15.651,24 17.08,25 18.583,26 20.047,27 1,34 4.675,35 16,36 23.182,37 25.715,38 0.13,39 2.904,41 16.123,42 17.315,43 18.502,45 14,47 0.109,50 18.952,51 3,52 14.401,53 0.518,54 0.36,55 13.214,57 0.574,58 21.544,59 3.999,60 18.821,61 1.886,62 4.013,63 76.775,64 5}
{0 CHEMBL1782245,6 4.472,7 4.472,8 7.472,9 4.472,10 17,11 1.375,12 0.215,13 1.375,14 0.226,16 2,17 2,18 2,19 3.796,20 5.796,21 3.796,22 14.07,23 15.596,24 16.977,25 18.472,26 19.901,27 2,34 4.712,35 22,36 22.978,37 25.487,38 0.109,39 2.546,41 16.019,42 17.196,43 18.365,45 14,47 0.093,50 18.952,51 4,52 9.094,53 0.582,54 0.301,55 13.127,57 0.602,58 21.384,59 3.764,60 18.656,61 0.932,62 4.005,63 46.184,64 5}
{0 CHEMBL1782247,6 4.476,7 4.476,8 7.476,9 4.476,10 9,11 1.403,12 0.23,13 1.403,14 0.239,19 3.813,20 5.813,21 3.813,22 14.019,23 15.528,24 16.938,25 18.427,26 19.873,27 1,34 4.48,35 14,36 23.326,37 25.821,38 0.132,39 2.548,41 16.289,42 17.459,43 18.626,45 14,47 0.112,51 1,52 8.645,53 0.567,54 0.367,55 13.481,57 0.601,58 21.357,60 19.098,61 -0.325,62 4.009,63 46.184,64 5}
{0 CHEMBL1782248,6 4.509,7 4.509,8 7.509,9 4.509,10 27,11 1.352,12 0.209,13 1.352,14 0.217,16 3,17 3,18 3,19 3.803,20 5.803,21 3.803,22 13.925,23 15.443,24 16.842,25 18.34,26 19.786,27 1,34 4.877,35 22,36 22.908,37 25.438,38 0.11,39 2.952,41 15.898,42 17.081,43 18.257,45 23,47 0.093,50 28.429,51 6,52 12.545,53 0.526,54 0.304,55 12.999,57 0.58,58 21.278,59 6.084,60 18.581,61 1.826,62 4.008,63 61.776,64 5}
{0 CHEMBL1782582,6 4.501,7 4.501,8 7.501,9 4.501,10 24,11 1.301,12 0.206,13 1.301,14 0.214,16 3,17 3,18 3,19 3.78,20 5.78,21 3.78,22 13.891,23 15.412,24 16.812,25 18.311,26 19.757,27 1,34 4.786,35 22,36 22.809,37 25.335,38 0.125,39 2.753,41 15.868,42 17.051,43 18.228,45 19,47 0.105,50 28.429,51 4,52 11.637,53 0.548,54 0.344,55 12.919,57 0.556,58 21.249,59 6.158,60 18.52,61 3.156,62 4.004,63 55.009,64 5}
{0 CHEMBL1782583,6 4.507,7 4.507,8 7.507,9 4.507,10 24,11 1.292,12 0.203,13 1.292,14 0.21,16 3,17 3,18 3,19 3.784,20 5.784,21 3.784,22 13.904,23 15.426,24 16.828,25 18.327,26 19.775,27 1,34 4.858,35 22,36 22.891,37 25.42,38 0.122,39 2.9,41 15.884,42 17.069,43 18.246,45 19,47 0.102,50 28.429,51 4,52 13.441,53 0.528,54 0.337,55 12.975,57 0.551,58 21.268,59 6.389,60 18.556,61 3.366,62 4.006,63 65.892,64 5}
{0 CHEMBL1782584,6 4.501,7 4.501,8 7.501,9 4.501,10 32,11 1.317,12 0.201,13 1.317,14 0.21,16 3,17 3,18 3,19 3.782,20 5.782,21 3.782,22 13.986,23 15.516,24 16.887,25 18.386,26 19.814,27 2,34 4.95,35 28,36 22.842,37 25.361,38 0.102,39 2.826,41 15.936,42 17.112,43 18.279,45 21,47 0.086,50 28.429,51 5,52 10.016,53 0.549,54 0.281,55 13.011,57 0.573,58 21.303,59 6.082,60 18.571,61 2.384,62 4.009,63 44.126,64 5}
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{0 CHEMBL1801950,6 4.196,7 4.196,8 7.196,9 4.196,10 12,11 1.45,12 0.25,13 1.45,14 0.26,16 4,17 4,18 4,19 3.731,20 5.731,21 3.731,22 13.023,23 14.517,24 15.846,25 17.306,26 18.686,27 6,34 4.135,35 9,36 21.657,37 24.063,38 0.155,39 1.841,41 14.968,42 16.08,43 17.177,45 7,47 0.138,50 37.905,51 2,52 3.062,53 0.67,54 0.404,55 12.216,57 0.628,58 20.131,59 5.604,60 17.46,61 -1.337,62 3.907,63 19.708,64 4.939}
{0 CHEMBL1801951,6 4.196,7 4.196,8 7.196,9 4.196,10 12,11 1.436,12 0.246,13 1.436,14 0.254,16 2,17 2,18 2,19 3.807,20 5.807,21 3.807,22 13.006,23 14.497,24 15.833,25 17.293,26 18.677,27 3,34 4.208,35 9,36 21.657,37 24.063,38 0.155,39 2.005,41 14.968,42 16.08,43 17.177,45 7,47 0.141,50 18.952,51 2,52 3.121,53 0.645,54 0.404,55 12.216,57 0.615,58 20.123,59 3.025,60 17.46,61 -1.123,62 3.907,63 19.708,64 4.301}
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{0 CHEMBL1950361,6 3.998,7 3.998,8 6.998,9 3.998,10 16,11 1.418,12 0.25,13 1.418,14 0.27,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 12.993,23 14.563,24 15.713,25 17.196,26 18.429,27 3,33 39.149,34 3.83,35 24,36 20.497,37 22.765,38 0.154,39 2.798,40 14.96,41 14.525,42 15.61,43 16.651,45 16,47 0.134,50 58.101,51 1,53 0.467,54 0.362,55 11.647,57 0.62,58 19.861,59 3.265,60 16.621,61 -0.108,62 3.978,64 4.613}
{0 CHEMBL1950362,6 3.998,7 3.998,8 6.998,9 3.998,10 14,11 1.418,12 0.25,13 1.418,14 0.27,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 13.007,23 14.576,24 15.732,25 17.214,26 18.451,27 3,34 3.83,35 24,36 20.517,37 22.785,38 0.154,39 2.798,40 14.96,41 14.525,42 15.61,43 16.651,45 17,46 45.954,47 0.134,50 18.952,51 1,53 0.467,54 0.362,55 11.659,56 45.954,57 0.604,58 19.883,59 3.328,60 16.643,61 -0.09,62 3.98,64 4.95}
{0 CHEMBL1950363,6 4,7 4,8 7,9 4,10 13,11 1.354,12 0.234,13 1.354,14 0.251,16 2,17 2,18 2,19 3.493,20 5.493,21 3.493,22 13.116,23 14.675,24 15.86,25 17.336,26 18.596,27 3,34 4.038,35 21,36 20.832,37 23.102,38 0.148,39 2.645,40 14.96,41 14.678,42 15.76,43 16.803,45 16,47 0.129,50 18.952,51 1,52 1.594,53 0.51,54 0.349,55 11.883,57 0.601,58 20.025,59 3.249,60 16.852,61 -0.121,62 3.978,63 10.883,64 4.452}
{0 CHEMBL1950364,6 3.998,7 3.998,8 6.998,9 3.998,10 15,11 1.354,12 0.234,13 1.354,14 0.251,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 13.008,23 14.576,24 15.728,25 17.209,26 18.443,27 3,34 4.038,35 22,36 20.522,37 22.786,38 0.148,39 2.645,40 14.96,41 14.559,42 15.641,43 16.68,45 15,47 0.129,50 18.952,51 1,52 1.611,53 0.51,54 0.348,55 11.693,57 0.601,58 19.875,59 3.295,60 16.647,61 -0.103,62 3.978,63 10.883,64 4.301}
{0 CHEMBL1950365,6 4,7 4,8 7,9 4,10 14,11 1.404,12 0.239,13 1.404,14 0.254,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 13.222,23 14.766,24 15.969,25 17.437,26 18.71,27 3,34 4.12,35 20,36 20.899,37 23.172,38 0.138,39 2.558,40 14.96,41 14.702,42 15.781,43 16.821,45 14,47 0.12,50 18.952,51 1,52 3.136,53 0.537,54 0.324,55 11.969,57 0.609,58 20.136,59 3.227,60 16.968,61 -0.136,62 3.978,63 21.766,64 4.476}
{0 CHEMBL1950366,6 4.05,7 4.05,8 7.05,9 4.05,10 12,11 1.404,12 0.239,13 1.404,14 0.254,16 2,17 2,18 2,19 3.494,20 5.494,21 3.494,22 13.32,23 14.862,24 16.098,25 17.57,26 18.871,27 3,34 4.12,35 19,36 21.334,37 23.662,38 0.14,39 2.558,40 14.96,41 14.842,42 15.928,43 16.98,45 15,47 0.12,50 18.952,51 1,52 3.119,53 0.537,54 0.349,55 12.162,57 0.609,58 20.304,59 3.181,60 17.211,61 -0.155,62 3.978,63 21.766,64 4.619}
{0 CHEMBL1950367,6 3.999,7 3.999,8 6.999,9 3.999,10 14,11 1.418,12 0.25,13 1.418,14 0.27,16 2,17 2,18 2,19 3.493,20 5.493,21 3.493,22 13.095,23 14.656,24 15.837,25 17.313,26 18.569,27 3,34 3.83,35 23,36 20.703,37 22.969,38 0.154,39 2.798,40 14.96,41 14.549,42 15.633,43 16.674,45 18,46 45.954,47 0.134,50 18.952,51 1,53 0.467,54 0.362,55 11.799,56 45.954,57 0.604,58 19.998,59 3.325,60 16.788,61 -0.094,62 3.981,64 4.865}
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{0 CHEMBL1950369,6 3.953,7 3.953,8 6.953,9 3.953,10 14,11 1.365,12 0.241,13 1.365,14 0.26,16 2,17 2,18 2,19 3.49,20 5.49,21 3.49,22 12.976,23 14.545,24 15.686,25 17.167,26 18.39,27 3,34 3.883,35 22,36 20.424,37 22.672,38 0.152,39 2.903,40 29.92,41 14.505,42 15.581,43 16.61,45 18,47 0.134,50 18.952,51 1,53 0.447,54 0.353,55 11.63,57 0.631,58 19.82,59 3.162,60 16.556,61 -0.192,62 3.979,64 4.301}
{0 CHEMBL1950370,6 3.953,7 3.953,8 6.953,9 3.953,10 14,11 1.366,12 0.24,13 1.366,14 0.259,16 2,17 2,18 2,19 3.489,20 5.489,21 3.489,22 12.976,23 14.545,24 15.686,25 17.167,26 18.39,27 3,34 3.919,35 22,36 20.424,37 22.672,38 0.152,39 2.726,40 14.96,41 14.514,42 15.59,43 16.619,45 18,47 0.134,50 18.952,51 1,53 0.484,54 0.353,55 11.63,57 0.614,58 19.82,59 3.234,60 16.556,61 -0.137,62 3.978,64 4.906}
{0 CHEMBL1950371,1 2.3,5 1,6 4.118,7 4.118,8 7.118,9 4.118,10 13,11 1.478,12 0.253,13 1.478,14 0.271,16 2,17 2,18 2,19 3.496,20 5.496,21 3.496,22 13.203,23 14.753,24 15.96,25 17.438,26 18.723,27 3,34 3.981,35 19,36 21.028,37 23.357,38 0.147,39 2.339,40 47.857,41 14.825,42 15.926,43 16.997,45 14,47 0.125,50 18.952,51 1,52 1.605,53 0.572,54 0.361,55 11.936,56 32.897,57 0.606,58 20.161,59 3.261,60 17.015,61 -0.135,62 3.981,63 10.883,64 4.301}
{0 CHEMBL1950372,1 1.9,2 1,3 2.746,5 1,6 4.133,7 4.133,8 7.133,9 4.133,10 15,11 1.535,12 0.253,13 1.535,14 0.268,16 2,17 2,18 2,19 3.547,20 5.547,21 3.547,22 13.416,23 14.944,24 16.189,25 17.655,26 18.965,27 3,34 4.193,35 17,36 21.425,37 23.767,38 0.125,39 2.316,40 32.971,41 15.004,42 16.104,43 17.176,45 15,46 18.011,47 0.107,50 18.952,51 2,52 4.504,53 0.596,54 0.314,55 12.248,56 18.011,57 0.62,58 20.399,59 3.146,60 17.345,61 -0.455,62 3.986,63 30.591,64 5.577}
{0 CHEMBL1950373,1 2.1,5 1,6 4.118,7 4.118,8 7.118,9 4.118,10 12,11 1.518,12 0.256,13 1.518,14 0.272,16 2,17 2,18 2,19 3.496,20 5.496,21 3.496,22 13.382,23 14.914,24 16.156,25 17.624,26 18.931,27 3,34 4.067,35 17,36 21.271,37 23.593,38 0.137,39 2.286,40 47.857,41 14.936,42 16.033,43 17.102,45 13,47 0.117,50 18.952,51 1,52 3.124,53 0.591,54 0.337,55 12.159,56 32.897,57 0.613,58 20.364,59 3.194,60 17.248,61 -0.168,62 3.982,63 21.766,64 4.301}
{0 CHEMBL1950374,1 2.1,5 1,6 4.119,7 4.119,8 7.119,9 4.119,10 11,11 1.518,12 0.256,13 1.518,14 0.272,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.388,23 14.921,24 16.165,25 17.633,26 18.943,27 3,34 4.067,35 17,36 21.279,37 23.602,38 0.137,39 2.286,40 47.857,41 14.968,42 16.067,43 17.137,45 14,47 0.117,50 18.952,51 1,52 3.135,53 0.591,54 0.337,55 12.16,56 32.897,57 0.613,58 20.377,59 3.166,60 17.253,61 -0.179,62 3.982,63 21.766,64 5.097}
{0 CHEMBL1950375,1 2.1,5 1,6 4.119,7 4.119,8 7.119,9 4.119,10 10,11 1.518,12 0.256,13 1.518,14 0.272,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.388,23 14.921,24 16.166,25 17.635,26 18.945,27 3,34 4.067,35 16,36 21.279,37 23.603,38 0.137,39 2.286,40 47.857,41 14.973,42 16.071,43 17.142,45 14,47 0.117,50 18.952,51 1,52 3.141,53 0.591,54 0.337,55 12.16,56 32.897,57 0.613,58 20.379,59 3.148,60 17.254,61 -0.187,62 3.982,63 21.766,64 4.988}
{0 CHEMBL1950376,1 2.1,5 1,6 4.12,7 4.12,8 7.12,9 4.12,10 10,11 1.518,12 0.256,13 1.518,14 0.272,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.466,23 14.998,24 16.265,25 17.735,26 19.062,27 3,34 4.067,35 16,36 21.591,37 23.94,38 0.137,39 2.286,40 47.857,41 15.049,42 16.149,43 17.224,45 14,47 0.117,50 18.952,51 1,52 3.105,53 0.591,54 0.338,55 12.321,56 32.897,57 0.613,58 20.499,59 3.148,60 17.437,61 -0.187,62 3.982,63 21.766,64 4.86}
{0 CHEMBL1950377,1 2.2,5 1,6 4.118,7 4.118,8 7.118,9 4.118,10 12,11 1.538,12 0.263,13 1.538,14 0.28,16 2,17 2,18 2,19 3.496,20 5.496,21 3.496,22 13.366,23 14.9,24 16.139,25 17.606,26 18.911,27 3,34 3.954,35 17,36 21.188,37 23.511,38 0.142,39 2.111,40 47.857,41 14.922,42 16.02,43 17.088,45 13,47 0.121,50 18.952,51 1,52 1.457,53 0.616,54 0.349,55 12.095,56 32.897,57 0.625,58 20.345,59 3.073,60 17.203,61 -0.203,62 3.981,63 10.883,64 5.166}
{0 CHEMBL1950378,1 1.9,5 1,6 4.126,7 4.126,8 7.126,9 4.126,10 11,11 1.544,12 0.256,13 1.544,14 0.271,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.554,23 15.08,24 16.36,25 17.829,26 19.168,27 3,34 4.157,35 16,36 21.655,37 24.012,38 0.129,39 2.334,40 47.857,41 15.077,42 16.177,43 17.25,45 12,47 0.109,50 18.952,51 1,52 4.585,53 0.591,54 0.321,55 12.385,56 32.897,57 0.619,58 20.608,59 3.126,60 17.549,61 -0.202,62 3.982,63 32.649,64 4.935}
{0 CHEMBL1950379,1 2.4,5 1,6 4.118,7 4.118,8 7.118,9 4.118,10 12,11 1.581,12 0.275,13 1.581,14 0.295,16 2,17 2,18 2,19 3.496,20 5.496,21 3.496,22 13.35,23 14.884,24 16.12,25 17.589,26 18.891,27 3,34 3.777,35 17,36 21.115,37 23.442,38 0.147,39 2.25,40 62.817,41 14.89,42 15.988,43 17.057,45 13,47 0.125,50 18.952,51 1,53 0.58,54 0.361,55 12.031,56 32.897,57 0.655,58 20.325,59 2.768,60 17.157,61 -0.29,62 3.981,64 4.301}
{0 CHEMBL1950380,1 2.2,5 1,6 4.12,7 4.12,8 7.12,9 4.12,10 11,11 1.662,12 0.284,13 1.662,14 0.303,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.522,23 15.048,24 16.322,25 17.79,26 19.123,27 3,34 3.83,35 17,36 21.397,37 23.738,38 0.137,39 1.896,40 47.857,41 14.955,42 16.052,43 17.121,45 14,46 45.954,47 0.117,50 18.952,51 1,52 1.45,53 0.655,54 0.337,55 12.237,56 78.851,57 0.635,58 20.561,59 3.057,60 17.435,61 -0.216,62 3.984,63 10.883,64 4.301}
{0 CHEMBL1950382,1 2.1,5 1,6 4.16,7 4.16,8 7.16,9 4.16,10 12,11 1.518,12 0.256,13 1.518,14 0.272,16 2,17 2,18 2,19 3.496,20 5.496,21 3.496,22 13.383,23 14.916,24 16.159,25 17.628,26 18.938,27 3,34 4.067,35 17,36 21.29,37 23.62,38 0.139,39 2.286,40 47.857,41 14.946,42 16.046,43 17.119,45 13,47 0.117,50 18.952,51 1,52 3.129,53 0.591,54 0.341,55 12.16,56 32.897,57 0.613,58 20.375,59 3.103,60 17.269,61 -0.175,62 3.982,63 21.766,64 4.672}
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{0 CHEMBL1950384,1 1.8,5 1,6 4.161,7 4.161,8 7.161,9 4.161,10 9,11 1.454,12 0.238,13 1.454,14 0.25,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.549,23 15.069,24 16.339,25 17.801,26 19.128,27 3,34 4.354,35 14,36 21.499,37 23.821,38 0.126,39 2.6,40 32.897,41 15.088,42 16.185,43 17.257,45 13,47 0.106,50 18.952,51 1,52 6.318,53 0.552,54 0.31,55 12.366,56 32.897,57 0.597,58 20.561,59 3.206,60 17.47,61 -0.161,62 3.983,63 43.532,64 5.496}
{0 CHEMBL1950385,1 1.8,5 1,6 4.161,7 4.161,8 7.161,9 4.161,10 9,11 1.454,12 0.238,13 1.454,14 0.25,16 2,17 2,18 2,19 3.498,20 5.498,21 3.498,22 13.615,23 15.135,24 16.422,25 17.886,26 19.227,27 3,34 4.354,35 14,36 21.756,37 24.101,38 0.126,39 2.6,40 32.897,41 15.156,42 16.255,43 17.33,45 13,47 0.106,50 18.952,51 1,52 6.282,53 0.552,54 0.31,55 12.499,56 32.897,57 0.597,58 20.662,59 3.206,60 17.62,61 -0.161,62 3.983,63 43.532,64 4.924}
{0 CHEMBL1950386,1 1.7,5 1,6 4.161,7 4.161,8 7.161,9 4.161,10 10,11 1.472,12 0.238,13 1.472,14 0.249,16 2,17 2,18 2,19 3.497,20 5.497,21 3.497,22 13.692,23 15.207,24 16.504,25 17.968,26 19.317,27 3,34 4.435,35 14,36 21.81,37 24.162,38 0.119,39 2.711,40 32.897,41 15.182,42 16.279,43 17.354,45 11,47 0.1,50 18.952,51 1,52 7.765,53 0.541,54 0.293,55 12.553,56 32.897,57 0.603,58 20.755,59 3.184,60 17.714,61 -0.175,62 3.983,63 54.415,64 5.264}
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{0 CHEMBL1950388,6 3.932,7 3.932,8 6.932,9 3.932,10 8,11 1.48,12 0.269,13 1.48,14 0.286,16 2,17 2,18 2,19 3.495,20 5.495,21 3.495,22 12.849,23 14.38,24 15.571,25 17.029,26 18.288,27 3,34 3.69,35 12,36 20.404,37 22.657,38 0.179,39 2.047,41 14.161,42 15.222,43 16.237,45 6,46 45.954,47 0.159,50 18.952,51 1,52 3.169,53 0.604,54 0.415,55 11.571,56 45.954,57 0.599,58 19.704,59 3.3,60 16.532,61 -0.05,62 3.923,63 21.766,64 4.301}
{0 CHEMBL1950389,6 3.914,7 3.914,8 6.914,9 3.914,10 8,11 1.503,12 0.279,13 1.503,14 0.298,16 2,17 2,18 2,19 3.495,20 5.495,21 3.495,22 12.821,23 14.353,24 15.538,25 16.996,26 18.249,27 3,34 3.541,35 12,36 20.177,37 22.413,38 0.186,39 1.786,41 14.127,42 15.187,43 16.2,45 6,46 45.954,47 0.166,50 18.952,51 1,52 1.487,53 0.646,54 0.417,55 11.449,56 45.954,57 0.614,58 19.664,59 3.13,60 16.43,61 -0.096,62 3.921,63 10.883,64 4.301}
{0 CHEMBL1950390,6 3.985,7 3.985,8 6.985,9 3.985,10 14,11 1.354,12 0.234,13 1.354,14 0.251,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 12.993,23 14.56,24 15.705,25 17.186,26 18.413,27 3,34 4.038,35 22,36 20.478,37 22.733,38 0.148,39 2.645,40 14.96,41 14.54,42 15.621,43 16.657,45 16,47 0.129,50 18.952,51 1,52 1.614,53 0.51,54 0.346,55 11.679,57 0.601,58 19.843,59 3.317,60 16.607,61 -0.084,62 3.978,63 10.883,64 4.301}
{0 CHEMBL1950391,6 3.988,7 3.988,8 6.988,9 3.988,10 13,11 1.404,12 0.239,13 1.404,14 0.254,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 13.21,23 14.753,24 15.951,25 17.419,26 18.687,27 3,34 4.12,35 20,36 20.869,37 23.136,38 0.138,39 2.558,40 14.96,41 14.686,42 15.763,43 16.802,45 15,47 0.12,50 18.952,51 1,52 3.141,53 0.537,54 0.323,55 11.959,57 0.609,58 20.112,59 3.25,60 16.939,61 -0.117,62 3.978,63 21.766,64 4.301}
{0 CHEMBL1950392,6 4,7 4,8 7,9 4,10 14,11 1.418,12 0.244,13 1.418,14 0.261,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 13.203,23 14.748,24 15.947,25 17.415,26 18.684,27 3,34 4.008,35 20,36 20.766,37 23.033,38 0.143,39 2.393,40 14.96,41 14.683,42 15.761,43 16.801,45 14,47 0.125,50 18.952,51 1,52 1.472,53 0.559,54 0.336,55 11.889,57 0.621,58 20.111,59 3.058,60 16.903,61 -0.182,62 3.977,63 10.883,64 5.018}
{0 CHEMBL1950393,1 2.4,5 1,6 3.987,7 3.987,8 6.987,9 3.987,10 11,11 1.559,12 0.27,13 1.559,14 0.289,16 2,17 2,18 2,19 3.492,20 5.492,21 3.492,22 13.191,23 14.735,24 15.928,25 17.396,26 18.661,27 3,32 3.629,34 3.833,35 16,36 20.732,37 22.993,38 0.142,39 2.102,40 31.746,41 14.643,42 15.718,43 16.756,44 1,45 11,47 0.125,48 1,49 1,50 35.738,51 1,52 1.47,53 0.61,54 0.334,55 11.878,56 16.786,57 0.638,58 20.086,59 3.052,60 16.873,61 -0.183,62 3.96,63 10.883,64 4.301}
{0 CHEMBL218163,1 5.5,2 3,3 9.458,4 1,5 4,6 4.472,7 4.472,8 6.472,9 4.472,10 4,11 1.388,12 0.224,13 1.388,14 0.224,15 5.807,19 4.455,20 6.364,21 4.455,22 13.479,23 14.981,24 16.476,25 17.975,26 19.472,33 5.807,34 4.802,35 7,36 21.467,37 23.858,38 0.172,39 4.025,40 85.324,41 13.925,42 15.011,43 16.069,45 7,46 52.426,47 0.171,50 5.807,52 2.221,53 0.35,54 0.418,55 11.876,56 85.324,57 0.495,58 20.97,60 17.373,62 3.972,63 8.825,64 6.509}
{0 CHEMBL218282,1 4.1,2 3,3 9.525,4 1,5 4,6 4.472,7 4.472,8 6.472,9 4.472,10 12,11 1.303,12 0.197,13 1.303,14 0.197,15 5.807,19 4.455,20 6.426,21 4.455,22 13.479,23 14.981,24 16.476,25 17.975,26 19.472,33 5.807,34 5.297,35 15,36 21.467,37 23.858,38 0.132,39 4.64,40 85.324,41 13.925,42 15.02,43 16.069,45 15,46 52.426,47 0.131,50 5.807,52 2.276,53 0.297,54 0.32,55 11.876,56 85.324,57 0.479,58 20.97,60 17.373,62 3.974,63 8.825,64 5.678}
{0 CHEMBL218434,1 5.1,2 3,3 9.481,4 1,5 4,6 4.472,7 4.472,8 6.472,9 4.472,10 6,11 1.363,12 0.216,13 1.363,14 0.216,15 5.807,19 4.455,20 6.391,21 4.455,22 13.479,23 14.981,24 16.476,25 17.975,26 19.472,33 5.807,34 4.941,35 9,36 21.467,37 23.858,38 0.16,39 4.197,40 85.324,41 13.925,42 15.013,43 16.069,45 9,46 52.426,47 0.159,50 5.807,52 2.243,53 0.334,54 0.388,55 11.876,56 85.324,57 0.49,58 20.97,60 17.373,62 3.972,63 8.825,64 6.469}
{0 CHEMBL256042,1 8.1,2 1,3 2.398,4 1,5 3,6 4.781,7 4.781,8 7.781,9 4.781,10 4,11 1.835,12 0.323,13 1.835,14 0.352,15 5.807,19 4.715,20 6.715,21 4.715,22 14.568,23 16.135,24 17.625,25 19.173,26 20.691,28 1,29 1,30 2,31 1.231,32 4.17,33 5.807,34 3.375,35 8,36 23.233,37 25.796,38 0.184,39 1.71,40 38.861,41 15.402,42 16.537,43 17.661,44 1,45 2,46 16.405,47 0.181,48 1,49 1,50 44.668,52 1.658,53 0.672,54 0.502,55 13.087,56 38.861,57 0.682,58 22.235,60 18.778,62 4.105,63 14.495,64 5.678}
{0 CHEMBL256061,1 7.3,2 1,3 2.562,4 1,5 3,6 4.759,7 4.759,8 7.759,9 4.759,10 3,11 1.736,12 0.302,13 1.736,14 0.324,15 5.807,19 4.706,20 6.706,21 4.706,22 14.513,23 16.086,24 17.576,25 19.127,26 20.646,28 1,29 1,30 2,31 1.305,32 4.257,33 5.807,34 3.622,35 7,36 23.139,37 25.692,38 0.183,39 1.656,40 66.088,41 15.355,42 16.488,43 17.61,44 1,45 1,46 16.405,47 0.181,48 1,49 1,50 38.998,52 3.369,53 0.691,54 0.496,55 13.027,56 66.088,57 0.626,58 22.191,60 18.723,62 4.098,63 19.708,64 6}
{0 CHEMBL256062,1 8.8,2 1,3 2.548,4 1,5 3,6 4.753,7 4.753,8 7.753,9 4.753,10 4,11 1.75,12 0.316,13 1.75,14 0.344,15 5.807,19 4.706,20 6.706,21 4.706,22 14.447,23 16.025,24 17.517,25 19.071,26 20.59,28 1,29 1,30 2,31 1.455,32 4.223,33 5.807,34 3.337,35 6,36 23.116,37 25.67,38 0.207,39 2.074,40 66.088,41 15.25,42 16.384,43 17.505,44 1,45 2,46 16.405,47 0.205,48 1,49 1,50 38.998,53 0.592,54 0.561,55 12.977,56 66.088,57 0.635,58 22.135,60 18.667,62 4.093,64 5.699}
{0 CHEMBL256204,1 8.1,2 1,3 2.405,4 1,5 3,6 4.777,7 4.777,8 7.777,9 4.777,10 5,11 1.835,12 0.323,13 1.835,14 0.352,15 5.807,19 4.715,20 6.715,21 4.715,22 14.571,23 16.139,24 17.63,25 19.18,26 20.699,28 2,29 1,30 2,31 1.253,32 4.35,33 5.807,34 3.375,35 7,36 23.232,37 25.794,38 0.184,39 1.833,40 38.861,41 15.389,42 16.525,43 17.649,44 1,45 3,46 16.405,47 0.181,48 1,49 1,50 44.668,52 1.798,53 0.648,54 0.502,55 13.087,56 38.861,57 0.682,58 22.243,60 18.774,62 4.102,63 14.495,64 5.42}
{0 CHEMBL256244,1 4.8,2 1,3 2.629,4 1,5 2,6 4.723,7 4.723,8 7.723,9 4.723,10 4,11 1.657,12 0.287,13 1.657,14 0.307,15 5.807,19 4.686,20 6.686,21 4.686,22 14.476,23 16.046,24 17.531,25 19.078,26 20.591,28 2,29 1,30 2,31 1.396,32 4.46,33 5.807,34 3.735,35 10,36 22.919,37 25.44,38 0.182,39 1.917,40 33.191,41 15.255,42 16.382,43 17.495,44 1,45 2,46 16.405,47 0.18,48 1,49 1,50 38.998,52 5.315,53 0.644,54 0.482,55 12.922,56 33.191,57 0.609,58 22.131,60 18.575,62 4.098,63 28.533,64 5}
{0 CHEMBL256403,1 6.3,2 1,3 2.58,4 1,5 2,6 4.73,7 4.73,8 7.73,9 4.73,10 6,11 1.958,12 0.359,13 1.958,14 0.392,15 37.085,19 4.689,20 6.689,21 4.689,22 14.456,23 16.019,24 17.512,25 19.056,26 20.573,28 2,29 1,30 2,31 1.508,32 4.409,33 76.234,34 3.042,35 9,36 22.913,37 25.437,38 0.206,39 1.439,40 33.191,41 15.041,42 16.158,43 17.262,44 1,45 3,46 16.405,47 0.204,48 1,49 1,50 38.998,52 1.865,53 0.712,54 0.546,55 12.893,56 33.191,57 0.674,58 22.111,60 18.566,62 4.13,63 8.825,64 6}
{0 CHEMBL256609,1 6.3,2 1,3 2.617,4 1,5 2,6 4.73,7 4.73,8 7.73,9 4.73,10 6,11 1.958,12 0.359,13 1.958,14 0.392,15 37.085,19 4.689,20 6.689,21 4.689,22 14.456,23 16.019,24 17.512,25 19.056,26 20.573,28 2,29 1,30 2,31 1.546,32 4.426,33 37.085,34 3.042,35 9,36 22.913,37 25.437,38 0.206,39 1.439,40 33.191,41 15.04,42 16.157,43 17.261,44 1,45 3,46 62.359,47 0.204,48 1,49 1,50 38.998,52 1.876,53 0.712,54 0.546,55 12.893,56 79.145,57 0.654,58 22.111,60 18.566,62 4.135,63 8.825,64 5.854}
{0 CHEMBL257234,1 6.9,2 1,3 2.584,4 1,5 2,6 4.72,7 4.72,8 7.72,9 4.72,10 5,11 1.847,12 0.345,13 1.847,14 0.38,15 37.085,19 4.686,20 6.686,21 4.686,22 14.39,23 15.958,24 17.453,25 18.999,26 20.516,28 1,29 1,30 2,31 1.541,32 4.223,33 37.085,34 3.011,35 6,36 22.886,37 25.409,38 0.225,39 1.73,40 33.191,41 14.988,42 16.104,43 17.207,44 1,45 2,46 16.405,47 0.223,48 1,49 1,50 38.998,53 0.644,54 0.597,55 12.851,56 33.191,57 0.661,58 22.055,60 18.506,62 4.123,64 5.444}
{0 CHEMBL257286,1 6.3,2 1,3 2.587,4 1,5 2,6 4.716,7 4.716,8 7.716,9 4.716,10 6,11 1.699,12 0.31,13 1.699,14 0.34,15 5.807,19 4.686,20 6.686,21 4.686,22 14.378,23 15.957,24 17.443,25 18.994,26 20.507,28 1,29 1,30 2,31 1.523,32 4.232,33 5.807,34 3.301,35 8,36 22.885,37 25.408,38 0.214,39 2.29,40 33.191,41 15.115,42 16.243,43 17.355,44 1,45 2,46 16.405,47 0.213,48 1,49 1,50 38.998,53 0.542,54 0.57,55 12.849,56 33.191,57 0.631,58 22.047,60 18.495,62 4.091,64 5}
{0 CHEMBL257446,1 6.9,2 1,3 2.552,4 1,5 2,6 4.729,7 4.729,8 7.729,9 4.729,10 5,11 2.008,12 0.375,13 2.008,14 0.413,15 37.085,19 4.689,20 6.689,21 4.689,22 14.424,23 15.989,24 17.481,25 19.026,26 20.542,28 1,29 1,30 2,31 1.484,32 4.215,33 76.234,34 2.849,35 8,36 22.902,37 25.427,38 0.215,39 1.574,40 33.191,41 14.992,42 16.108,43 17.211,44 1,45 2,46 16.405,47 0.213,48 1,49 1,50 38.998,53 0.676,54 0.571,55 12.873,56 33.191,57 0.698,58 22.081,60 18.542,62 4.128,64 5.886}
{0 CHEMBL258314,1 8.1,2 1,3 2.575,4 1,5 3,6 4.754,7 4.754,8 7.754,9 4.754,10 5,11 1.713,12 0.304,13 1.713,14 0.329,15 5.807,19 4.706,20 6.706,21 4.706,22 14.479,23 16.055,24 17.547,25 19.1,26 20.619,28 2,29 1,30 2,31 1.479,32 4.418,33 5.807,34 3.496,35 7,36 23.125,37 25.678,38 0.198,39 1.907,40 66.088,41 15.288,42 16.422,43 17.543,44 1,45 3,46 16.405,47 0.196,48 1,49 1,50 38.998,52 1.861,53 0.634,54 0.537,55 12.995,56 66.088,57 0.619,58 22.164,60 18.687,62 4.096,63 8.825,64 5.553}
{0 CHEMBL261706,6 4.47,7 4.47,8 7.47,9 4.47,10 11,11 1.371,12 0.224,13 1.371,14 0.233,16 2,17 2,18 2,19 3.788,20 5.788,21 3.788,22 13.982,23 15.5,24 16.908,25 18.402,26 19.848,27 1,34 4.512,35 16,36 22.943,37 25.457,38 0.135,39 2.536,41 15.956,42 17.14,43 18.318,45 13,47 0.115,50 18.952,51 3,52 10.753,53 0.569,54 0.374,55 13.044,57 0.588,58 21.333,59 3.891,60 18.603,61 1.752,62 4.001,63 57.067,64 4.917}
{0 CHEMBL269941,1 7.5,2 1,3 2.182,4 1,5 3,6 4.783,7 4.783,8 7.783,9 4.783,10 5,11 2.072,12 0.359,13 2.072,14 0.389,15 5.807,19 4.716,20 6.716,21 4.716,22 14.64,23 16.199,24 17.685,25 19.228,26 20.743,28 2,29 1,30 2,31 0.924,32 4.248,33 5.807,34 3.25,35 7,36 23.523,37 26.066,38 0.159,39 1.588,40 83.741,41 15.582,42 16.712,43 17.833,44 1,45 3,46 16.405,47 0.157,48 1,49 1,50 44.668,52 1.7,53 0.702,54 0.435,55 13.438,56 38.861,57 0.777,58 22.284,60 19.167,62 4.106,63 14.495,64 5.959}
{0 CHEMBL269942,1 7.3,2 1,3 2.392,4 1,5 3,6 4.782,7 4.782,8 7.782,9 4.782,10 3,11 1.834,12 0.317,13 1.834,14 0.342,15 5.807,19 4.715,20 6.715,21 4.715,22 14.603,23 16.169,24 17.659,25 19.208,26 20.727,28 1,29 1,30 2,31 1.078,32 4.19,33 5.807,34 3.523,35 7,36 23.247,37 25.81,38 0.171,39 1.589,40 38.861,41 15.456,42 16.592,43 17.718,44 1,45 1,46 16.405,47 0.168,48 1,49 1,50 44.668,52 3.108,53 0.703,54 0.466,55 13.118,56 38.861,57 0.683,58 22.27,60 18.811,62 4.105,63 25.378,64 5.678}
{0 CHEMBL270584,1 5.9,2 1,3 2.642,4 1,5 2,6 4.822,7 4.822,8 7.822,9 4.822,10 4,11 1.741,12 0.313,13 1.741,14 0.342,15 5.807,19 4.712,20 6.712,21 4.712,22 14.605,23 16.185,24 17.689,25 19.249,26 20.781,28 1,29 1,30 2,31 1.427,32 4.352,33 5.807,34 3.346,35 9,36 23.437,37 26.016,38 0.193,39 1.541,40 33.191,41 15.791,42 16.969,43 18.14,44 1,45 6,46 16.405,47 0.188,48 1,49 1,50 38.998,52 1.57,53 0.697,54 0.531,55 13.236,56 33.191,57 0.658,58 22.336,60 19.036,62 4.165,63 10.883,64 5.602}
{0 CHEMBL270605,1 8.8,2 1,3 2.378,4 1,5 3,6 4.776,7 4.776,8 7.776,9 4.776,10 4,11 1.869,12 0.334,13 1.869,14 0.367,15 5.807,19 4.715,20 6.715,21 4.715,22 14.542,23 16.112,24 17.603,25 19.153,26 20.672,28 1,29 1,30 2,31 1.229,32 4.156,33 5.807,34 3.218,35 6,36 23.224,37 25.787,38 0.191,39 1.993,40 38.861,41 15.355,42 16.49,43 17.614,44 1,45 2,46 16.405,47 0.189,48 1,49 1,50 44.668,53 0.608,54 0.522,55 13.07,56 38.861,57 0.704,58 22.216,60 18.755,62 4.099,63 5.67,64 5.495}
{0 CHEMBL270799,1 6.7,2 1,3 2.542,4 1,5 2,6 4.825,7 4.825,8 7.825,9 4.825,10 4,11 1.869,12 0.343,13 1.869,14 0.381,15 5.807,19 4.712,20 6.712,21 4.712,22 14.599,23 16.178,24 17.681,25 19.241,26 20.772,28 1,29 1,30 2,31 1.368,32 4.235,33 5.807,34 3.038,35 8,36 23.438,37 26.019,38 0.201,39 1.588,40 48.151,41 15.788,42 16.967,43 18.14,44 1,45 6,46 16.405,47 0.196,48 1,49 1,50 38.998,53 0.676,54 0.554,55 13.226,56 33.191,57 0.704,58 22.327,60 19.038,62 4.165,64 5.77}
{0 CHEMBL271233,1 7.3,2 1,3 2.402,4 1,5 3,6 4.782,7 4.782,8 7.782,9 4.782,10 5,11 1.834,12 0.317,13 1.834,14 0.342,15 5.807,19 4.715,20 6.715,21 4.715,22 14.599,23 16.164,24 17.654,25 19.201,26 20.72,28 2,29 1,30 2,31 1.215,32 4.358,33 5.807,34 3.523,35 6,36 23.243,37 25.805,38 0.171,39 1.695,40 38.861,41 15.425,42 16.56,43 17.684,44 1,45 3,46 16.405,47 0.168,48 1,49 1,50 44.668,52 3.134,53 0.684,54 0.466,55 13.114,56 38.861,57 0.683,58 22.263,60 18.801,62 4.102,63 25.378,64 6}
{0 CHEMBL271669,1 6.1,2 1,3 2.665,4 1,5 2,6 4.825,7 4.825,8 7.825,9 4.825,10 6,11 1.68,12 0.303,13 1.68,14 0.333,15 5.807,19 4.712,20 6.712,21 4.712,22 14.599,23 16.178,24 17.681,25 19.241,26 20.772,28 1,29 1,30 2,31 1.584,32 4.328,33 5.807,34 3.364,35 12,36 23.438,37 26.019,38 0.201,39 1.588,40 33.191,41 15.803,42 16.982,43 18.155,44 1,45 8,46 16.405,47 0.196,48 1,49 1,50 38.998,52 1.952,53 0.685,54 0.554,55 13.226,56 33.191,57 0.633,58 22.327,60 19.038,62 4.169,63 8.825,64 6.222}
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{0 CHEMBL401504,1 6.9,2 1,3 2.59,4 1,5 2,6 4.729,7 4.729,8 7.729,9 4.729,10 5,11 2.008,12 0.375,13 2.008,14 0.413,15 37.085,19 4.689,20 6.689,21 4.689,22 14.424,23 15.989,24 17.481,25 19.026,26 20.542,28 1,29 1,30 2,31 1.522,32 4.231,33 37.085,34 2.849,35 8,36 22.902,37 25.427,38 0.215,39 1.574,40 33.191,41 14.991,42 16.107,43 17.21,44 1,45 2,46 62.359,47 0.213,48 1,49 1,50 38.998,53 0.676,54 0.571,55 12.873,56 79.145,57 0.677,58 22.081,60 18.542,62 4.134,64 5.959}
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{0 CHEMBL514875,1 10,2 1,3 2.815,5 4,6 4.669,7 4.669,8 7.669,9 4.669,10 6,11 1.924,12 0.334,13 1.924,14 0.362,15 31.278,16 1,17 1,18 1,19 3.882,20 5.882,21 3.882,22 14.113,23 15.668,24 17.118,25 18.651,26 20.144,27 4,28 1,29 1,30 2,31 0.941,32 9.091,33 70.426,34 3.398,35 5,36 22.455,37 24.905,38 0.156,39 1.125,40 54.461,41 15.408,42 16.538,43 17.657,46 17.888,47 0.129,48 2,49 2,50 100.084,51 3,52 3.089,53 0.789,54 0.388,55 12.784,56 54.461,57 0.691,58 21.673,59 1.267,60 18.227,61 -0.567,62 4.019,63 19.708,64 5.62}
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