@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1163125

@attribute molecule_id {CHEMBL1230189,CHEMBL1232461,CHEMBL1738926,CHEMBL1828978,CHEMBL1828979,CHEMBL1828980,CHEMBL1828981,CHEMBL1828982,CHEMBL1828983,CHEMBL1828984,CHEMBL1828985,CHEMBL1828986,CHEMBL1950956,CHEMBL1950957,CHEMBL1957266,CHEMBL1958337,CHEMBL1958347,CHEMBL2017264,CHEMBL2017269,CHEMBL2017273,CHEMBL2017277,CHEMBL2017281,CHEMBL2017282,CHEMBL2017283,CHEMBL2017285,CHEMBL2017286,CHEMBL2017288,CHEMBL2017289,CHEMBL2017291,CHEMBL2153434,CHEMBL2158203,CHEMBL2179378,CHEMBL2179379,CHEMBL2179380,CHEMBL2179381,CHEMBL2179382,CHEMBL2179383,CHEMBL2179384,CHEMBL2179385,CHEMBL2179386,CHEMBL2179387,CHEMBL2179388,CHEMBL2179389,CHEMBL2179390,CHEMBL2179391,CHEMBL2181701,CHEMBL2181702,CHEMBL2181703,CHEMBL2181704,CHEMBL2181705,CHEMBL2181706,CHEMBL2181707,CHEMBL2181708,CHEMBL2181709,CHEMBL2181710,CHEMBL2181711,CHEMBL2181712,CHEMBL2181713,CHEMBL2181714,CHEMBL2181715,CHEMBL2181716,CHEMBL2181717,CHEMBL2181718,CHEMBL2181719,CHEMBL2181720,CHEMBL2181721,CHEMBL2181722,CHEMBL2181723,CHEMBL2181724,CHEMBL2181725,CHEMBL2181726,CHEMBL2181727,CHEMBL2181728,CHEMBL2181729,CHEMBL2181730,CHEMBL2181731,CHEMBL2181732,CHEMBL2181733,CHEMBL2181734,CHEMBL2181735,CHEMBL2181736,CHEMBL2181737,CHEMBL2181738,CHEMBL2181739,CHEMBL2181740,CHEMBL2181741,CHEMBL2181742,CHEMBL2181818,CHEMBL2181819,CHEMBL2181820,CHEMBL2205766,CHEMBL2331593,CHEMBL2335144,CHEMBL2335145,CHEMBL2335146,CHEMBL2335147,CHEMBL2335148,CHEMBL2335149,CHEMBL2335150,CHEMBL2335151,CHEMBL2335152,CHEMBL2335153,CHEMBL2335154,CHEMBL2335155,CHEMBL2346691,CHEMBL2349340,CHEMBL2349341,CHEMBL2349342,CHEMBL2349343,CHEMBL2349344,CHEMBL2349345,CHEMBL2349346,CHEMBL2349347,CHEMBL2349349,CHEMBL2349350,CHEMBL2349351,CHEMBL2349354,CHEMBL2349355,CHEMBL2349356,CHEMBL2349357,CHEMBL2349358,CHEMBL2349359,CHEMBL2349361,CHEMBL2349362,CHEMBL2349363,CHEMBL2349462,CHEMBL661}
@attribute CATS2D_06_LL numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax2_Bh.p. numeric
@attribute Eig05_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.v. numeric
@attribute CATS2D_07_LL numeric
@attribute ATS4s numeric
@attribute piPC07 numeric
@attribute SpMax6_Bh.s. numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_EA.bo. numeric
@attribute piPC06 numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute AMR numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS4i numeric
@attribute ATS4p numeric
@attribute ATS4v numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7p numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATSC1i numeric
@attribute ATSC2i numeric
@attribute ATSC4i numeric
@attribute ATSC7i numeric
@attribute ATSC7p numeric
@attribute ATSC8m numeric
@attribute Chi1_EA.bo. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig13_EA.bo. numeric
@attribute Psi_e_0 numeric
@attribute SM03_EA.ri. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_EA.ri. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMin8_Bh.i. numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_EA numeric
@attribute SM12_EA numeric
@attribute SM13_EA numeric
@attribute SM14_EA numeric
@attribute ATS1p numeric
@attribute pXC50 numeric

@data
{2 3.334,3 4.017,4 3.309,5 1.278,6 1.278,7 3.884,8 3.978,9 3.887,11 5.041,12 4.891,13 3.199,14 4.285,15 3.842,16 4.786,17 3.842,18 6.842,19 4.285,20 3.842,21 46.165,22 4.315,23 2.713,24 3.904,25 4.086,26 4.246,27 2.996,28 2.876,29 1.805,30 2.428,31 1.271,32 0.978,33 1.298,34 1.682,35 0.337,36 0.524,37 0.545,38 0.082,39 0.904,40 0.842,41 5.053,42 2.333,43 -1.779,44 -2.178,45 -3,46 4.412,47 3.118,48 9.659,49 10.788,50 1.471,51 0.928,52 0.963,54 89.353,55 91.353,56 91.353,57 1.732,58 1.732,59 12.151,60 13.272,61 14.33,62 15.435,63 2.724,64 4.409}
{0 CHEMBL1232461,1 9,2 3.797,3 4.147,4 3.799,5 2.906,6 2.906,7 3.994,8 4.106,9 4.006,10 5,11 6.024,12 7.139,13 4.275,14 4.683,15 4.386,16 6.643,17 4.386,18 7.386,19 4.683,20 4.386,21 117.094,22 5.194,23 3.594,24 4.82,25 5.008,26 5.066,27 4.243,28 4.201,29 4.257,30 5.062,31 4.255,32 4.183,33 4.98,34 5.181,35 0.782,36 1.237,37 1.668,38 1.774,39 12.14,40 36.216,41 12.502,42 2.801,43 1.5,44 1.135,45 0.864,46 11.073,47 4.043,48 10.868,49 12.035,50 3.023,51 2.953,52 2.814,53 0.98,54 270.158,55 270.158,56 270.158,57 2.665,58 2.665,59 13.581,60 14.765,61 15.919,62 17.102,63 3.607,64 7.31}
{0 CHEMBL1738926,1 9,2 3.837,3 4.144,4 3.843,5 2.951,6 2.951,7 3.987,8 4.1,9 3.998,10 6,11 6.055,12 7.044,13 4.435,14 4.674,15 4.37,16 6.558,17 4.37,18 7.37,19 4.674,20 4.37,21 122.273,22 5.25,23 3.664,24 4.827,25 5.014,26 5.106,27 4.194,28 4.17,29 4.188,30 4.934,31 4.12,32 4.059,33 4.841,34 5.053,35 0.791,36 1.275,37 1.719,38 1.644,39 10.73,40 28.614,41 13.238,42 2.781,43 1.889,44 1.5,45 1.5,46 11.811,47 3.988,48 10.819,49 11.993,50 2.998,51 2.816,52 2.789,53 0.918,54 253.315,55 276.07,56 280.825,57 2.634,58 2.634,59 13.543,60 14.73,61 15.879,62 17.062,63 3.669,64 7.671}
{0 CHEMBL1828978,2 3.67,3 4.075,4 3.644,5 2.224,6 2.224,7 3.959,8 4.049,9 3.966,11 5.559,12 6.291,13 3.853,14 4.526,15 4.242,16 5.85,17 4.242,18 7.242,19 4.526,20 4.242,21 72.176,22 4.786,23 3.153,24 4.324,25 4.476,26 4.715,27 3.688,28 3.604,29 3.191,30 3.969,31 3.042,32 2.943,33 3.89,34 4.185,35 0.514,36 0.812,37 0.997,38 0.584,39 3.819,40 12.261,41 7.978,42 2.862,43 -0.243,44 -1.176,45 -1.204,46 6.988,47 3.829,48 10.69,49 11.845,50 2.685,51 2.494,52 2.384,53 0.48,54 156.709,55 156.709,56 156.709,57 2.438,58 2.438,59 13.101,60 14.246,61 15.357,62 16.494,63 3.157,64 5.237}
{0 CHEMBL1828979,1 2,2 3.594,3 4.028,4 3.58,5 1.5,6 1.5,7 3.921,8 4.009,9 3.925,11 4.843,12 5.497,13 3.557,14 4.493,15 4.201,16 5.124,17 4.201,18 7.201,19 4.493,20 4.201,21 52.069,22 4.407,23 2.828,24 3.84,25 4.019,26 4.072,27 3.167,28 3.065,29 2.438,30 3.069,31 1.824,32 1.465,33 1.844,34 2.277,35 0.312,36 0.489,37 0.548,38 0.21,39 1.907,40 1.603,41 4.919,42 2.234,43 -1.5,44 -2.52,45 -2.693,46 4.754,47 3.195,48 10.219,49 11.399,50 1.669,51 1.51,52 1.417,54 89.774,55 92.529,56 92.529,57 1.732,58 1.732,59 12.559,60 13.716,61 14.836,62 15.982,63 2.865,64 4.075}
{0 CHEMBL1828980,1 2,2 3.639,3 4.043,4 3.619,5 1.957,6 1.957,7 3.945,8 4.026,9 3.949,10 2,11 5.255,12 5.955,13 3.773,14 4.511,15 4.225,16 5.544,17 4.225,18 7.225,19 4.511,20 4.225,21 62.472,22 4.629,23 3.003,24 4.06,25 4.207,26 4.317,27 3.45,28 3.368,29 2.979,30 3.704,31 2.695,32 2.583,33 3.47,34 3.739,35 0.375,36 0.589,37 0.707,38 0.413,39 3.253,40 8.469,41 6.093,42 2.766,43 -1.204,44 -1.432,45 -2.023,46 5.869,47 3.627,48 10.542,49 11.7,50 2.305,51 2.109,52 1.937,53 0.319,54 124.617,55 126.617,56 126.617,57 2.07,58 2.07,59 12.788,60 13.929,61 15.04,62 16.175,63 3.033,64 4.609}
{0 CHEMBL1828981,1 4,2 3.605,3 4.032,4 3.585,5 1.801,6 1.801,7 3.923,8 4.016,9 3.93,11 5.115,12 5.794,13 3.719,14 4.504,15 4.217,16 5.443,17 4.217,18 7.217,19 4.504,20 4.217,21 63.28,22 4.623,23 3.015,24 4.126,25 4.307,26 4.298,27 3.445,28 3.362,29 3.032,30 3.806,31 2.795,32 2.622,33 3.503,34 3.784,35 0.405,36 0.622,37 0.701,38 0.433,39 3.558,40 7.805,41 6.313,42 2.431,43 -1.162,44 -1.302,45 -1.962,46 5.865,47 3.374,48 10.303,49 11.475,50 2.393,51 2.038,52 2.032,53 0.324,54 137.315,55 137.315,56 137.315,57 1.941,58 1.941,59 12.67,60 13.82,61 14.933,62 16.075,63 3.044,64 4.635}
{0 CHEMBL1828982,1 2,2 3.637,3 4.044,4 3.619,5 1.865,6 1.865,7 3.945,8 4.026,9 3.949,10 2,11 5.283,12 5.854,13 3.782,14 4.508,15 4.22,16 5.476,17 4.22,18 7.22,19 4.508,20 4.22,21 63.303,22 4.653,23 3.026,24 4.179,25 4.354,26 4.467,27 3.519,28 3.415,29 3.038,30 3.863,31 2.827,32 2.691,33 3.73,34 4.03,35 0.407,36 0.637,37 0.785,38 0.468,39 3.635,40 10.81,41 6.332,42 2.667,43 -1,44 -1.252,45 -1.959,46 5.879,47 3.561,48 10.454,49 11.614,50 2.481,51 2.209,52 2.034,53 0.325,54 139.315,55 139.315,56 139.315,57 2.07,58 2.07,59 12.788,60 13.929,61 15.04,62 16.175,63 3.06,64 5.013}
{0 CHEMBL1828983,1 5,2 3.635,3 4.044,4 3.61,5 2.224,6 2.224,7 3.941,8 4.032,9 3.95,10 2,11 5.602,12 6.268,13 3.925,14 4.53,15 4.25,16 5.854,17 4.25,18 7.25,19 4.53,20 4.25,21 79.555,22 4.912,23 3.242,24 4.404,25 4.573,26 4.572,27 3.715,28 3.685,29 3.617,30 4.495,31 3.519,32 3.468,33 4.429,34 4.646,35 0.517,36 0.78,37 0.909,38 0.842,39 6.608,40 20.921,41 8.468,42 2.768,43 -0.191,44 -0.617,45 -1.081,46 7.738,47 3.713,48 10.587,49 11.745,50 2.749,51 2.494,52 2.407,53 0.481,54 175.858,55 183.858,56 189.858,57 2.357,58 2.357,59 12.938,60 14.081,61 15.19,62 16.327,63 3.253,64 5.114}
{0 CHEMBL1828984,1 4,2 3.632,3 4.042,4 3.608,5 2.224,6 2.224,7 3.94,8 4.029,9 3.949,11 5.492,12 6.209,13 3.925,14 4.529,15 4.249,16 5.808,17 4.249,18 7.249,19 4.529,20 4.249,21 70.038,22 4.859,23 3.125,24 4.244,25 4.392,26 4.454,27 3.587,28 3.555,29 3.394,30 4.231,31 3.185,32 3.157,33 4.138,34 4.38,35 0.442,36 0.671,37 0.806,38 0.631,39 4.804,40 16.858,41 7.493,42 2.75,43 -0.329,44 -1.167,45 -1.204,46 6.984,47 3.713,48 10.568,49 11.726,50 2.596,51 2.461,52 2.343,53 0.48,54 154.709,55 156.709,56 156.709,57 2.306,58 2.306,59 12.904,60 14.047,61 15.157,62 16.294,63 3.122,64 4.291}
{0 CHEMBL1828985,1 4,2 3.644,3 4.047,4 3.621,5 2.224,6 2.224,7 3.947,8 4.033,9 3.954,10 3,11 5.435,12 6.209,13 3.808,14 4.529,15 4.249,16 5.808,17 4.249,18 7.249,19 4.529,20 4.249,21 73.683,22 4.806,23 3.163,24 4.296,25 4.451,26 4.498,27 3.667,28 3.604,29 3.471,30 4.301,31 3.38,32 3.283,33 4.301,34 4.571,35 0.468,36 0.72,37 0.864,38 0.742,39 5.792,40 18.595,41 7.493,42 2.795,43 -0.329,44 -1.167,45 -1.204,46 6.99,47 3.747,48 10.617,49 11.773,50 2.718,51 2.494,52 2.392,53 0.48,54 163.098,55 165.098,56 165.098,57 2.306,58 2.306,59 12.904,60 14.047,61 15.157,62 16.294,63 3.186,64 5.125}
{0 CHEMBL1828986,1 4,2 3.642,3 4.048,4 3.621,5 2.224,6 2.224,7 3.947,8 4.033,9 3.954,10 3,11 5.455,12 6.115,13 3.845,14 4.525,15 4.243,16 5.749,17 4.243,18 7.243,19 4.525,20 4.243,21 74.514,22 4.825,23 3.182,24 4.391,25 4.568,26 4.625,27 3.723,28 3.642,29 3.518,30 4.436,31 3.482,32 3.362,33 4.485,34 4.782,35 0.495,36 0.761,37 0.939,38 0.828,39 6.488,40 22.181,41 7.732,42 2.717,43 -0.329,44 -1,45 -1.167,46 6.999,47 3.689,48 10.535,49 11.693,50 2.721,51 2.494,52 2.392,53 0.48,54 178.402,55 178.402,56 178.402,57 2.306,58 2.306,59 12.904,60 14.047,61 15.157,62 16.294,63 3.209,64 5.32}
{0 CHEMBL1950956,1 5,2 3.701,3 4.198,4 3.697,5 2.08,6 2.08,7 4.055,8 4.163,9 4.07,10 3,11 5.285,12 6.81,13 3.785,14 4.71,15 4.668,16 6.375,17 4.668,18 7.668,19 4.71,20 4.668,21 69.618,22 4.676,23 3.121,24 4.177,25 4.354,26 4.331,27 3.565,28 3.504,29 3.222,30 3.913,31 3.035,32 2.869,33 3.511,34 3.81,35 0.407,36 0.665,37 0.776,38 0.567,39 4.429,40 8.511,41 6.947,42 2.596,43 -0.812,44 -1.286,45 -1.445,46 6.616,47 3.549,48 10.543,49 11.724,50 2.465,51 2.266,52 2.23,53 0.437,54 140.452,55 142.452,56 142.452,57 2.248,58 2.248,59 13.152,60 14.341,61 15.498,62 16.681,63 3.142,64 5.35}
{0 CHEMBL1950957,2 3.68,3 4.111,4 3.709,5 2.23,6 2.23,7 4.088,8 4.117,9 4.014,11 6.072,12 6.132,13 4.121,14 4.937,15 4.767,16 5.752,17 4.767,18 7.767,19 4.937,20 4.767,21 82.485,22 4.84,23 3.296,24 4.651,25 4.805,26 5.042,27 3.945,28 3.859,29 3.451,30 4.27,31 3.399,32 3.296,33 4.324,34 4.567,35 0.644,36 1.021,37 1.273,38 0.751,39 6.518,40 19.526,41 9.913,42 3.001,43 0.511,44 -0.711,45 -0.817,46 8.427,47 4.001,48 10.995,49 12.162,50 2.801,51 2.579,52 2.507,53 0.661,54 186.15,55 186.15,56 186.15,57 2.452,58 2.452,59 14.116,60 15.353,61 16.579,62 17.818,63 3.324,64 4.523}
{0 CHEMBL1957266,1 13,2 3.801,3 4.144,4 3.821,5 3.114,6 3.114,7 4.061,8 4.111,9 4.031,10 6,11 6.114,12 7.118,13 4.402,14 4.759,15 4.5,16 6.645,17 4.5,18 7.5,19 4.759,20 4.5,21 125.829,22 5.202,23 3.665,24 4.909,25 5.063,26 5.265,27 4.39,28 4.29,29 4.342,30 5.172,31 4.367,32 4.246,33 5.106,34 5.358,35 0.817,36 1.35,37 1.966,38 2.065,39 14.831,40 48.927,41 13.172,42 2.934,43 1.681,44 1.288,45 0.914,46 11.493,47 4.387,48 11.182,49 12.326,50 2.996,51 2.965,52 2.798,53 0.968,54 267.663,55 267.663,56 267.663,57 2.972,58 2.972,59 14.051,60 15.239,61 16.411,62 17.601,63 3.718,64 7.222}
{0 CHEMBL1958337,1 8,2 3.783,3 4.134,4 3.786,5 2.722,6 2.722,7 3.978,8 4.088,9 3.988,10 8,11 5.616,12 6.947,13 3.851,14 4.677,15 4.382,16 6.471,17 4.382,18 7.382,19 4.677,20 4.382,21 93.187,22 4.904,23 3.332,24 4.461,25 4.636,26 4.709,27 3.935,28 3.9,29 3.835,30 4.564,31 3.731,32 3.542,33 4.058,34 4.33,35 0.594,36 0.946,37 1.236,38 0.978,39 9.309,40 23.793,41 9.491,42 2.758,43 1.34,44 -0.017,45 -0.629,46 8.421,47 3.799,48 10.698,49 11.872,50 2.808,51 2.673,52 2.629,53 0.725,54 172.485,55 175.24,56 175.24,57 2.572,58 2.572,59 13.494,60 14.683,61 15.843,62 17.029,63 3.345,64 6.194}
{0 CHEMBL1958347,1 10,2 3.797,3 4.147,4 3.799,5 2.904,6 2.904,7 3.994,8 4.106,9 4.006,10 3,11 6.027,12 7.133,13 4.256,14 4.684,15 4.388,16 6.65,17 4.388,18 7.388,19 4.684,20 4.388,21 117.094,22 5.194,23 3.594,24 4.82,25 5.008,26 5.066,27 4.243,28 4.2,29 4.263,30 5.06,31 4.263,32 4.178,33 4.987,34 5.206,35 0.782,36 1.237,37 1.668,38 1.786,39 12.474,40 37.369,41 12.502,42 2.797,43 1.5,44 1.134,45 0.901,46 11.073,47 4.043,48 10.867,49 12.034,50 3.016,51 2.925,52 2.818,53 0.968,54 267.403,55 270.158,56 270.158,57 2.678,58 2.678,59 13.581,60 14.765,61 15.919,62 17.102,63 3.607,64 7.301}
{0 CHEMBL2017264,1 9,2 3.818,3 4.146,4 3.814,5 2.801,6 2.801,7 4.048,8 4.123,9 4.056,10 6,11 5.995,12 7.248,13 4.661,14 4.647,15 4.565,16 6.72,17 4.565,18 7.565,19 4.647,20 4.565,21 103.273,22 5.193,23 3.51,24 4.614,25 4.766,26 4.898,27 4.028,28 3.997,29 3.957,30 4.666,31 3.848,32 3.819,33 4.483,34 4.709,35 0.729,36 1.135,37 1.541,38 1.483,39 7.913,40 19.482,41 11.006,42 3.058,43 1.866,44 1.199,45 0.318,46 10.334,47 4.148,48 11.106,49 12.277,50 2.901,51 2.827,52 2.737,53 0.807,54 233.624,55 235.624,56 235.624,57 2.763,58 2.763,59 13.523,60 14.681,61 15.805,62 16.956,63 3.506,64 5.1}
{0 CHEMBL2017269,1 18,2 3.884,3 4.15,4 3.889,5 2.872,6 2.872,7 4.053,8 4.127,9 4.06,10 12,11 6.162,12 7.305,13 4.319,14 4.654,15 4.565,16 6.771,17 4.565,18 7.565,19 4.654,20 4.565,21 119.901,22 5.276,23 3.662,24 4.857,25 5.016,26 5.312,27 4.342,28 4.255,29 4.191,30 4.915,31 4.213,32 4.147,33 4.924,34 5.112,35 0.772,36 1.245,37 1.902,38 1.566,39 11.417,40 29.402,41 12.553,42 3.182,43 1.882,44 1.42,45 1.197,46 11.448,47 4.481,48 11.666,49 12.864,50 3.084,51 2.953,52 2.869,53 0.922,54 280.418,55 282.418,56 282.418,57 3.083,58 3.083,59 14.099,60 15.291,61 16.465,62 17.655,63 3.687,64 5.9}
{0 CHEMBL2017273,1 8,2 3.819,3 4.148,4 3.814,5 3.089,6 3.089,7 4.049,8 4.128,9 4.059,10 4,11 6.083,12 7.359,13 4.672,14 4.691,15 4.61,16 6.838,17 4.61,18 7.61,19 4.691,20 4.61,21 109.736,22 5.276,23 3.567,24 4.675,25 4.813,26 4.98,27 4.129,28 4.114,29 4.157,30 4.942,31 4.076,32 4.04,33 4.816,34 5.064,35 0.78,36 1.202,37 1.661,38 1.823,39 9.947,40 29.821,41 11.83,42 3.066,43 1.867,44 1.2,45 0.671,46 11.078,47 4.221,48 11.203,49 12.377,50 3.026,51 2.856,52 2.778,53 0.887,54 256.856,55 258.856,56 258.856,57 2.767,58 2.767,59 13.665,60 14.832,61 15.97,62 17.133,63 3.555,64 6.2}
{0 CHEMBL2017277,1 9,2 3.763,3 4.148,4 3.755,5 2.737,6 2.737,7 4.047,8 4.127,9 4.057,10 5,11 6.04,12 7.237,13 4.337,14 4.689,15 4.608,16 6.722,17 4.608,18 7.608,19 4.689,20 4.608,21 112.241,22 5.201,23 3.6,24 4.903,25 5.107,26 5.22,27 4.237,28 4.166,29 4.206,30 5.104,31 4.21,32 4.107,33 5.013,34 5.285,35 0.806,36 1.286,37 1.724,38 1.789,39 11.652,40 36.482,41 12.473,42 3.064,43 1.452,44 1,45 0.648,46 10.736,47 4.157,48 11.158,49 12.337,50 3.111,51 2.866,52 2.91,53 1.064,54 274.2,55 279.71,56 279.71,57 2.64,58 2.64,59 13.598,60 14.77,61 15.911,62 17.078,63 3.62,64 5.9}
{0 CHEMBL2017281,1 10,2 3.968,3 4.167,4 3.963,5 3.09,6 3.09,7 4.065,8 4.144,9 4.075,10 7,11 6.103,12 7.603,13 4.628,14 4.694,15 4.614,16 7.075,17 4.614,18 7.614,19 4.694,20 4.614,21 123.441,22 5.335,23 3.684,24 4.777,25 4.918,26 5.085,27 4.279,28 4.248,29 4.266,30 5.02,31 4.264,32 4.217,33 4.965,34 5.189,35 0.799,36 1.242,37 1.728,38 1.839,39 10.892,40 31.197,41 13.075,42 3.076,43 1.953,44 1.784,45 1.33,46 12.138,47 4.321,48 11.346,49 12.522,50 3.137,51 2.953,52 2.965,53 1.012,54 292.499,55 294.499,56 294.499,57 2.99,58 2.99,59 13.795,60 14.964,61 16.1,62 17.263,63 3.681,64 6.1}
{0 CHEMBL2017282,1 6,2 3.831,3 4.169,4 3.823,5 3.083,6 3.083,7 4.056,8 4.145,9 4.069,10 4,11 6.033,12 7.482,13 4.625,14 4.741,15 4.625,16 6.937,17 4.625,18 7.625,19 4.741,20 4.625,21 107.719,22 5.238,23 3.57,24 4.671,25 4.804,26 4.94,27 4.149,28 4.157,29 4.083,30 4.802,31 3.952,32 3.903,33 4.629,34 4.871,35 0.765,36 1.228,37 1.658,38 1.564,39 8.867,40 23.466,41 12.382,42 3.123,43 1.967,44 1.206,45 0.944,46 11.11,47 4.266,48 11.323,49 12.508,50 2.909,51 2.84,52 2.773,53 0.855,54 244.801,55 246.801,56 246.801,57 2.846,58 2.846,59 13.98,60 15.177,61 16.352,62 17.547,63 3.548,64 5.9}
{0 CHEMBL2017283,1 11,2 3.889,3 4.175,4 3.89,5 3.125,6 3.125,7 4.063,8 4.151,9 4.075,10 9,11 6.152,12 7.53,13 4.239,14 4.755,15 4.626,16 6.991,17 4.626,18 7.626,19 4.755,20 4.626,21 126.169,22 5.311,23 3.72,24 4.916,25 5.063,26 5.354,27 4.451,28 4.392,29 4.383,30 5.178,31 4.335,32 4.239,33 5.007,34 5.255,35 0.854,36 1.39,37 2.056,38 2.019,39 13.087,40 33.834,41 13.929,42 3.24,43 2.032,44 1.616,45 1.205,46 12.193,47 4.575,48 11.806,49 13.011,50 3.09,51 2.928,52 2.867,53 1.073,54 297.527,55 299.527,56 299.527,57 3.162,58 3.162,59 14.386,60 15.599,61 16.796,62 18.008,63 3.734,64 6.3}
{0 CHEMBL2017285,1 7,2 3.84,3 4.165,4 3.845,5 3.104,6 3.104,7 4.053,8 4.141,9 4.065,10 6,11 5.941,12 7.388,13 4.2,14 4.719,15 4.618,16 6.846,17 4.618,18 7.618,19 4.719,20 4.618,21 112.338,22 5.211,23 3.602,24 4.718,25 4.863,26 5.042,27 4.187,28 4.15,29 4.113,30 4.845,31 4.054,32 3.985,33 4.729,34 4.972,35 0.734,36 1.189,37 1.578,38 1.486,39 9.342,40 25.219,41 12.452,42 3.097,43 1.842,44 1.317,45 1.112,46 11.06,47 4.214,48 11.239,49 12.423,50 3.006,51 2.876,52 2.8,53 0.913,54 255.173,55 257.928,56 257.928,57 2.732,58 2.732,59 13.827,60 15.017,61 16.179,62 17.365,63 3.599,64 6.4}
{0 CHEMBL2017286,1 4,2 3.787,3 4.164,4 3.775,5 3.104,6 3.104,7 4.051,8 4.14,9 4.063,10 3,11 5.932,12 7.388,13 4.2,14 4.719,15 4.618,16 6.846,17 4.618,18 7.618,19 4.719,20 4.618,21 109.809,22 5.22,23 3.581,24 4.693,25 4.839,26 4.992,27 4.155,28 4.129,29 4.085,30 4.821,31 4.008,32 3.954,33 4.691,34 4.93,35 0.752,36 1.202,37 1.54,38 1.458,39 8.627,40 23.956,41 12.452,42 3.096,43 1.842,44 1.317,45 1.112,46 11.051,47 4.205,48 11.227,49 12.41,50 3.005,51 2.875,52 2.798,53 0.908,54 258.856,55 258.856,56 258.856,57 2.732,58 2.732,59 13.827,60 15.017,61 16.179,62 17.365,63 3.568,64 6}
{0 CHEMBL2017288,1 8,2 3.853,3 4.169,4 3.858,5 3.107,6 3.107,7 4.056,8 4.145,9 4.068,10 7,11 6.039,12 7.416,13 4.217,14 4.731,15 4.62,16 6.876,17 4.62,18 7.62,19 4.731,20 4.62,21 116.756,22 5.245,23 3.643,24 4.795,25 4.951,26 5.121,27 4.304,28 4.263,29 4.213,30 4.971,31 4.144,32 4.061,33 4.809,34 5.052,35 0.774,36 1.26,37 1.734,38 1.668,39 10.769,40 27.924,41 12.935,42 3.125,43 1.843,44 1.457,45 1.164,46 11.442,47 4.291,48 11.35,49 12.533,50 3.061,51 2.903,52 2.827,53 1.016,54 273.805,55 276.56,56 276.56,57 2.839,58 2.839,59 13.968,60 15.163,61 16.336,62 17.529,63 3.646,64 6.6}
{0 CHEMBL2017289,1 8,2 3.853,3 4.169,4 3.858,5 3.107,6 3.107,7 4.056,8 4.145,9 4.068,10 7,11 6.039,12 7.416,13 4.217,14 4.731,15 4.62,16 6.876,17 4.62,18 7.62,19 4.731,20 4.62,21 116.756,22 5.245,23 3.643,24 4.795,25 4.951,26 5.121,27 4.304,28 4.263,29 4.213,30 4.971,31 4.144,32 4.061,33 4.809,34 5.052,35 0.774,36 1.26,37 1.734,38 1.668,39 10.769,40 27.924,41 12.935,42 3.125,43 1.843,44 1.457,45 1.164,46 11.442,47 4.291,48 11.35,49 12.533,50 3.061,51 2.903,52 2.827,53 1.016,54 273.805,55 276.56,56 276.56,57 2.839,58 2.839,59 13.968,60 15.163,61 16.336,62 17.529,63 3.646,64 5.9}
{0 CHEMBL2017291,1 5,2 3.802,3 4.168,4 3.791,5 3.107,6 3.107,7 4.053,8 4.143,9 4.066,10 4,11 6.035,12 7.416,13 4.218,14 4.731,15 4.62,16 6.876,17 4.62,18 7.62,19 4.731,20 4.62,21 114.227,22 5.254,23 3.623,24 4.772,25 4.929,26 5.082,27 4.266,28 4.239,29 4.187,30 4.95,31 4.102,32 4.033,33 4.774,34 5.013,35 0.792,36 1.271,37 1.709,38 1.633,39 10.037,40 26.736,41 12.935,42 3.122,43 1.843,44 1.457,45 1.164,46 11.434,47 4.282,48 11.332,49 12.513,50 3.06,51 2.903,52 2.827,53 1.015,54 277.403,55 277.403,56 277.403,57 2.839,58 2.839,59 13.968,60 15.163,61 16.336,62 17.529,63 3.616,64 6.1}
{0 CHEMBL2153434,1 9,2 3.837,3 4.144,4 3.843,5 2.951,6 2.951,7 3.987,8 4.1,9 3.998,10 6,11 6.055,12 7.044,13 4.435,14 4.674,15 4.37,16 6.558,17 4.37,18 7.37,19 4.674,20 4.37,21 122.273,22 5.25,23 3.664,24 4.827,25 5.014,26 5.106,27 4.194,28 4.17,29 4.188,30 4.934,31 4.12,32 4.059,33 4.841,34 5.053,35 0.791,36 1.275,37 1.719,38 1.644,39 10.73,40 28.614,41 13.238,42 2.781,43 1.889,44 1.5,45 1.5,46 11.811,47 3.988,48 10.819,49 11.993,50 2.998,51 2.816,52 2.789,53 0.918,54 253.315,55 276.07,56 280.825,57 2.634,58 2.634,59 13.543,60 14.73,61 15.879,62 17.062,63 3.669,64 7.766}
{0 CHEMBL2158203,2 3.723,3 4.023,4 3.706,5 2.982,6 2.982,7 3.872,8 3.976,9 3.87,10 3,11 6.865,12 5.271,13 7.42,14 4.121,15 3.615,16 5.252,17 3.615,18 6.615,19 4.121,20 3.615,21 220.228,22 5.94,23 4.222,24 5.755,25 6.006,26 6.141,27 4.882,28 4.78,29 4.94,30 6.091,31 5.121,32 5.04,33 6.215,34 6.476,35 1.725,36 2.496,37 3.174,38 4.021,39 28.604,40 122.528,41 25.243,42 2.775,43 1.906,44 1.748,45 1.688,46 21.545,47 4.364,48 10.617,49 11.699,50 3.594,51 3.442,52 3.397,53 1.485,54 664.391,55 699.22,56 723.975,57 2.789,58 2.789,59 13.042,60 14.126,61 15.13,62 16.195,63 4.254,64 4.301}
{0 CHEMBL2179378,1 8,2 3.856,3 4.093,4 3.861,5 2.68,6 2.68,7 4.074,8 4.1,9 3.998,10 4,11 5.972,12 6.218,13 4.328,14 4.857,15 4.707,16 5.942,17 4.707,18 7.707,19 4.857,20 4.707,21 91.241,22 4.962,23 3.361,24 4.561,25 4.698,26 4.896,27 3.862,28 3.776,29 3.455,30 4.244,31 3.484,32 3.389,33 4.237,34 4.43,35 0.637,36 0.981,37 1.226,38 0.795,39 6.335,40 19.617,41 9.755,42 2.914,43 0.558,44 -0.249,45 -0.575,46 9.105,47 4.018,48 10.725,49 11.866,50 2.854,51 2.687,52 2.715,53 0.821,54 196.15,55 198.15,56 198.15,57 2.533,58 2.533,59 13.733,60 14.932,61 16.112,62 17.312,63 3.384,64 6.056}
{0 CHEMBL2179379,1 8,2 3.855,3 4.091,4 3.861,5 2.657,6 2.657,7 4.074,8 4.097,9 3.996,10 6,11 5.884,12 6.1,13 4.161,14 4.855,15 4.704,16 5.753,17 4.704,18 7.704,19 4.855,20 4.704,21 84.778,22 4.848,23 3.291,24 4.492,25 4.645,26 4.805,27 3.747,28 3.66,29 3.342,30 4.129,31 3.369,32 3.256,33 4.02,34 4.223,35 0.588,36 0.921,37 1.129,38 0.709,39 5.391,40 16.138,41 8.928,42 2.913,43 0.28,44 -0.592,45 -1.032,46 8.357,47 3.928,48 10.682,49 11.83,50 2.765,51 2.641,52 2.573,53 0.655,54 171.24,55 175.995,56 175.995,57 2.51,58 2.51,59 13.706,60 14.908,61 16.092,62 17.294,63 3.325,64 6.056}
{0 CHEMBL2179380,1 8,2 3.863,3 4.095,4 3.865,5 2.688,6 2.688,7 4.08,8 4.102,9 4.005,10 6,11 5.993,12 6.396,13 4.641,14 4.857,15 4.708,16 6.027,17 4.708,18 7.708,19 4.857,20 4.708,21 90.516,22 4.965,23 3.345,24 4.521,25 4.661,26 4.845,27 3.811,28 3.735,29 3.427,30 4.199,31 3.43,32 3.351,33 4.062,34 4.259,35 0.61,36 0.948,37 1.216,38 0.776,39 5.461,40 16.273,41 9.572,42 2.914,43 0.978,44 -0.251,45 -0.588,46 9.093,47 4.04,48 10.753,49 11.892,50 2.854,51 2.687,52 2.715,53 0.821,54 180.666,55 182.666,56 182.666,57 2.533,58 2.533,59 13.733,60 14.932,61 16.112,62 17.312,63 3.369,64 5.638}
{0 CHEMBL2179381,2 3.352,3 4.015,4 3.341,5 1.305,6 1.305,7 3.91,8 3.981,9 3.901,11 5.074,12 5.107,13 3.309,14 4.326,15 3.93,16 5.02,17 3.93,18 6.93,19 4.326,20 3.93,21 53.788,22 4.331,23 2.779,24 3.921,25 4.074,26 4.239,27 3.145,28 2.999,29 2.128,30 2.509,31 1.745,32 1.435,33 1.298,34 1.682,35 0.326,36 0.522,37 0.571,38 0.088,39 2.03,40 2.059,41 5.464,42 2.348,43 -1.606,44 -2.168,45 -2.247,46 4.776,47 3.195,48 9.692,49 10.82,50 1.546,51 1.564,52 1.281,54 91.353,55 91.353,56 91.353,57 2.044,58 2.044,59 12.28,60 13.399,61 14.463,62 15.569,63 2.809,64 4.638}
{0 CHEMBL2179382,1 4,2 3.707,3 4.114,4 3.725,5 2.113,6 2.113,7 4.092,8 4.12,9 4.016,11 5.941,12 5.976,13 4.112,14 4.937,15 4.767,16 5.67,17 4.767,18 7.767,19 4.937,20 4.767,21 76.054,22 4.722,23 3.228,24 4.581,25 4.762,26 4.902,27 3.743,28 3.66,29 3.295,30 4.145,31 3.253,32 3.121,33 4.106,34 4.374,35 0.6,36 0.972,37 1.067,38 0.663,39 5.584,40 15.661,41 8.941,42 2.883,43 0.079,44 -1.117,45 -1.27,46 7.662,47 3.917,48 10.882,49 12.048,50 2.622,51 2.498,52 2.42,53 0.477,54 163.995,55 163.995,56 163.995,57 2.441,58 2.441,59 14.008,60 15.247,61 16.477,62 17.719,63 3.271,64 5.319}
{0 CHEMBL2179383,1 2,2 3.618,3 4.09,4 3.668,5 2.113,6 2.113,7 4.074,8 4.097,9 3.999,11 5.781,12 5.86,13 4.108,14 4.852,15 4.707,16 5.563,17 4.707,18 7.707,19 4.852,20 4.707,21 67.968,22 4.667,23 3.085,24 4.373,25 4.542,26 4.692,27 3.575,28 3.489,29 3.041,30 3.927,31 2.963,32 2.835,33 3.821,34 4.079,35 0.529,36 0.798,37 0.887,38 0.493,39 4.286,40 12.048,41 7.392,42 2.85,43 -0.58,44 -1.278,45 -1.726,46 6.859,47 3.816,48 10.589,49 11.723,50 2.482,51 2.205,52 2.208,53 0.368,54 150.955,55 150.955,56 150.955,57 2.406,58 2.406,59 13.648,60 14.85,61 16.038,62 17.24,63 3.127,64 5.721}
{0 CHEMBL2179384,1 8,2 3.805,3 4.102,4 3.808,5 2.31,6 2.31,7 4.085,8 4.109,9 4.012,10 6,11 5.87,12 6.164,13 4.116,14 4.863,15 4.716,16 5.835,17 4.716,18 7.716,19 4.863,20 4.716,21 84.778,22 4.848,23 3.291,24 4.492,25 4.645,26 4.806,27 3.762,28 3.668,29 3.391,30 4.118,31 3.355,32 3.265,33 4.063,34 4.277,35 0.588,36 0.921,37 1.131,38 0.701,39 5.686,40 13.157,41 8.928,42 2.861,43 0.101,44 -0.442,45 -1.118,46 8.372,47 3.928,48 10.679,49 11.827,50 2.851,51 2.687,52 2.677,53 0.768,54 170.485,55 175.995,56 175.995,57 2.469,58 2.469,59 13.712,60 14.917,61 16.105,62 17.31,63 3.325,64 5.357}
{0 CHEMBL2179385,1 8,2 3.86,3 4.093,4 3.864,5 2.686,6 2.686,7 4.081,8 4.102,9 4.004,10 6,11 6.151,12 6.146,13 4.744,14 4.891,15 4.748,16 5.963,17 4.748,18 7.748,19 4.891,20 4.748,21 89.799,22 4.949,23 3.335,24 4.529,25 4.657,26 4.811,27 3.808,28 3.757,29 3.426,30 4.164,31 3.445,32 3.351,33 4.055,34 4.231,35 0.643,36 1.004,37 1.133,38 0.741,39 5.732,40 17.539,41 9.73,42 2.916,43 0.293,44 -0.281,45 -0.61,46 9.198,47 4.05,48 10.75,49 11.893,50 2.782,51 2.68,52 2.585,53 0.65,54 181.995,55 183.995,56 183.995,57 2.589,58 2.589,59 13.855,60 15.065,61 16.26,62 17.473,63 3.353,64 6.745}
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{0 CHEMBL2181721,1 12,2 3.774,3 4.114,4 3.791,5 2.456,6 2.456,7 4.1,8 4.122,9 4.034,10 12,11 5.904,12 6.365,13 3.935,14 4.894,15 4.751,16 5.897,17 4.751,18 7.751,19 4.894,20 4.751,21 90.577,22 4.878,23 3.411,24 4.713,25 4.916,26 4.991,27 4.014,28 3.89,29 3.732,30 4.588,31 3.798,32 3.673,33 4.667,34 4.932,35 0.661,36 1.074,37 1.358,38 1.101,39 9.386,40 26.347,41 9.706,42 3.051,43 0.618,44 -0.34,45 -0.494,46 8.774,47 4.071,48 11.032,49 12.193,50 2.869,51 2.583,52 2.635,53 0.682,54 210.869,55 210.869,56 210.869,57 2.539,58 2.539,59 13.929,60 15.143,61 16.346,62 17.562,63 3.478,64 6.301}
{0 CHEMBL2181722,1 6,2 3.774,3 4.106,4 3.79,5 2.459,6 2.459,7 4.087,8 4.117,9 4.022,10 8,11 5.996,12 6.429,13 4.302,14 4.897,15 4.753,16 5.946,17 4.753,18 7.753,19 4.897,20 4.753,21 91.999,22 4.948,23 3.425,24 4.718,25 4.91,26 4.977,27 4.012,28 3.915,29 3.784,30 4.614,31 3.764,32 3.694,33 4.651,34 4.87,35 0.671,36 1.07,37 1.322,38 1.06,39 8.955,40 25.334,41 10.133,42 3.049,43 0.621,44 -0.166,45 -0.358,46 9.157,47 4.05,48 11.012,49 12.173,50 2.869,51 2.606,52 2.635,53 0.752,54 217.819,55 217.819,56 217.819,57 2.564,58 2.564,59 13.947,60 15.162,61 16.365,62 17.582,63 3.475,64 5.658}
{0 CHEMBL2181723,1 12,2 3.77,3 4.114,4 3.787,5 2.434,6 2.434,7 4.099,8 4.121,9 4.034,10 14,11 5.967,12 6.368,13 3.935,14 4.894,15 4.751,16 5.903,17 4.751,18 7.751,19 4.894,20 4.751,21 95.178,22 4.917,23 3.46,24 4.802,25 5.011,26 5.121,27 4.107,28 3.967,29 3.806,30 4.674,31 3.873,32 3.753,33 4.737,34 4.995,35 0.7,36 1.139,37 1.513,38 1.178,39 9.991,40 27.712,41 10.206,42 3.05,43 1,44 -0.137,45 -0.463,46 9.16,47 4.071,48 11.023,49 12.192,50 3.088,51 2.866,52 2.895,53 1.017,54 224.304,55 229.814,56 229.814,57 2.526,58 2.526,59 13.926,60 15.142,61 16.344,62 17.561,63 3.531,64 5.959}
{0 CHEMBL2181724,1 12,2 3.821,3 4.112,4 3.826,5 2.626,6 2.626,7 4.103,8 4.122,9 4.038,10 14,11 5.896,12 6.515,13 3.935,14 4.897,15 4.756,16 6.051,17 4.756,18 7.756,19 4.897,20 4.756,21 95.723,22 4.947,23 3.409,24 4.523,25 4.669,26 4.824,27 3.978,28 3.878,29 3.723,30 4.467,31 3.736,32 3.649,33 4.512,34 4.742,35 0.6,36 0.937,37 1.268,38 1.01,39 8.372,40 21.429,41 9.186,42 3.05,43 1.307,44 -0.157,45 -0.467,46 9.097,47 4.071,48 11.023,49 12.192,50 2.854,51 2.687,52 2.715,53 0.802,54 199.458,55 202.213,56 202.213,57 2.526,58 2.526,59 13.926,60 15.142,61 16.344,62 17.561,63 3.462,64 5.745}
{0 CHEMBL2181725,1 6,2 3.821,3 4.104,4 3.824,5 2.668,6 2.668,7 4.09,8 4.118,9 4.026,10 9,11 5.988,12 6.572,13 4.338,14 4.9,15 4.759,16 6.093,17 4.759,18 7.759,19 4.9,20 4.759,21 97.145,22 5.012,23 3.423,24 4.529,25 4.662,26 4.808,27 3.976,28 3.903,29 3.777,30 4.509,31 3.711,32 3.672,33 4.499,34 4.683,35 0.615,36 0.944,37 1.233,38 0.999,39 8.278,40 19.836,41 9.612,42 3.048,43 1.335,44 -0.144,45 -0.172,46 9.484,47 4.05,48 11.004,49 12.172,50 2.854,51 2.687,52 2.715,53 0.802,54 206.31,55 209.065,56 209.065,57 2.554,58 2.554,59 13.943,60 15.16,61 16.363,62 17.581,63 3.459,64 5.252}
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{0 CHEMBL2181727,1 5,2 3.832,3 4.104,4 3.836,5 2.668,6 2.668,7 4.092,8 4.118,9 4.028,10 9,11 6.02,12 6.595,13 4.347,14 4.903,15 4.76,16 6.137,17 4.76,18 7.76,19 4.903,20 4.76,21 101.95,22 5.036,23 3.45,24 4.543,25 4.659,26 4.805,27 4.035,28 3.952,29 3.814,30 4.524,31 3.769,32 3.733,33 4.513,34 4.68,35 0.604,36 0.928,37 1.201,38 0.979,39 8.662,40 20.523,41 9.997,42 3.051,43 1.335,44 0.169,45 -0.167,46 9.873,47 4.091,48 11.029,49 12.195,50 2.864,51 2.753,52 2.724,53 0.803,54 215.065,55 217.065,56 217.065,57 2.757,58 2.757,59 13.994,60 15.206,61 16.406,62 17.62,63 3.486,64 5.119}
{0 CHEMBL2181728,1 10,2 3.832,3 4.112,4 3.838,5 2.633,6 2.633,7 4.103,8 4.123,9 4.038,10 13,11 5.939,12 6.532,13 4.354,14 4.897,15 4.756,16 6.123,17 4.756,18 7.756,19 4.897,20 4.756,21 100.528,22 4.972,23 3.436,24 4.537,25 4.667,26 4.823,27 4.009,28 3.912,29 3.771,30 4.474,31 3.776,32 3.691,33 4.526,34 4.74,35 0.589,36 0.92,37 1.248,38 0.999,39 8.549,40 22.863,41 9.596,42 3.051,43 1.307,44 -0.156,45 -0.463,46 9.472,47 4.111,48 11.034,49 12.201,50 2.864,51 2.746,52 2.724,53 0.803,54 210.213,55 210.213,56 210.213,57 2.63,58 2.63,59 13.945,60 15.158,61 16.358,62 17.572,63 3.488,64 5.481}
{0 CHEMBL2181729,1 12,2 3.832,3 4.112,4 3.838,5 2.673,6 2.673,7 4.103,8 4.123,9 4.038,10 12,11 5.924,12 6.564,13 4.359,14 4.897,15 4.756,16 6.101,17 4.756,18 7.756,19 4.897,20 4.756,21 100.528,22 4.972,23 3.436,24 4.537,25 4.667,26 4.823,27 4.005,28 3.904,29 3.752,30 4.48,31 3.774,32 3.7,33 4.519,34 4.742,35 0.589,36 0.92,37 1.253,38 0.995,39 8.593,40 21.451,41 9.59,42 3.05,43 1.307,44 0.057,45 -0.449,46 9.465,47 4.111,48 11.032,49 12.199,50 2.854,51 2.687,52 2.715,53 0.806,54 202.213,55 202.213,56 202.213,57 2.6,58 2.6,59 13.941,60 15.154,61 16.354,62 17.568,63 3.488,64 5.347}
{0 CHEMBL2181730,1 9,2 3.827,3 4.113,4 3.827,5 2.627,6 2.627,7 4.103,8 4.124,9 4.038,10 12,11 5.988,12 6.567,13 4.39,14 4.9,15 4.758,16 6.135,17 4.758,18 7.758,19 4.9,20 4.758,21 102.186,22 5.052,23 3.472,24 4.591,25 4.72,26 4.915,27 4.077,28 3.994,29 3.858,30 4.64,31 3.846,32 3.785,33 4.634,34 4.838,35 0.654,36 1.009,37 1.388,38 1.137,39 9.402,40 23.336,41 9.997,42 3.056,43 1.307,44 0.089,45 -0.123,46 9.858,47 4.149,48 11.096,49 12.259,50 2.865,51 2.754,52 2.725,53 0.807,54 231.064,55 233.064,56 233.064,57 2.794,58 2.794,59 13.99,60 15.201,61 16.398,62 17.611,63 3.513,64 5.553}
{0 CHEMBL2181731,1 4,2 3.827,3 4.105,4 3.825,5 2.668,6 2.668,7 4.091,8 4.119,9 4.027,10 7,11 6.073,12 6.622,13 4.39,14 4.903,15 4.761,16 6.174,17 4.761,18 7.761,19 4.903,20 4.761,21 103.608,22 5.111,23 3.485,24 4.596,25 4.714,26 4.899,27 4.075,28 4.017,29 3.904,30 4.677,31 3.822,32 3.803,33 4.619,34 4.785,35 0.667,36 1.011,37 1.355,38 1.12,39 9.258,40 21.722,41 10.423,42 3.055,43 1.335,44 0.604,45 -0.112,46 10.248,47 4.13,48 11.078,49 12.241,50 2.865,51 2.754,52 2.725,53 0.807,54 228.046,55 234.046,56 240.046,57 2.799,58 2.799,59 14.006,60 15.218,61 16.417,62 17.63,63 3.51,64 5.086}
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{0 CHEMBL2181733,1 5,2 3.826,3 4.105,4 3.825,5 2.674,6 2.674,7 4.091,8 4.119,9 4.027,10 7,11 6.075,12 6.631,13 4.396,14 4.901,15 4.759,16 6.188,17 4.759,18 7.759,19 4.901,20 4.759,21 103.608,22 5.111,23 3.485,24 4.595,25 4.714,26 4.899,27 4.069,28 4,29 3.873,30 4.641,31 3.822,32 3.785,33 4.644,34 4.808,35 0.667,36 1.011,37 1.344,38 1.124,39 9.778,40 23.115,41 10.446,42 3.049,43 1.335,44 0.482,45 -0.144,46 10.236,47 4.13,48 11.04,49 12.204,50 2.865,51 2.749,52 2.725,53 0.806,54 230.046,55 234.046,56 240.046,57 2.671,58 2.671,59 13.969,60 15.182,61 16.382,62 17.596,63 3.51,64 5.222}
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