@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL291

@attribute molecule_id {CHEMBL1221434,CHEMBL1223618,CHEMBL1223619,CHEMBL1223620,CHEMBL1223621,CHEMBL1223684,CHEMBL1223685,CHEMBL1223686,CHEMBL1223687,CHEMBL1224653,CHEMBL1224717,CHEMBL1224718,CHEMBL1224719,CHEMBL1224720,CHEMBL1224721,CHEMBL158286,CHEMBL161115,CHEMBL161465,CHEMBL161602,CHEMBL161714,CHEMBL161740,CHEMBL162188,CHEMBL18701,CHEMBL1916475,CHEMBL19449,CHEMBL196969,CHEMBL197386,CHEMBL197392,CHEMBL197494,CHEMBL198432,CHEMBL198464,CHEMBL198527,CHEMBL198564,CHEMBL198674,CHEMBL198722,CHEMBL198732,CHEMBL198853,CHEMBL199015,CHEMBL200906,CHEMBL204449,CHEMBL204522,CHEMBL206592,CHEMBL206968,CHEMBL207424,CHEMBL207559,CHEMBL207775,CHEMBL207996,CHEMBL208100,CHEMBL208149,CHEMBL208236,CHEMBL208382,CHEMBL209295,CHEMBL210840,CHEMBL2171452,CHEMBL2172707,CHEMBL2172710,CHEMBL2172734,CHEMBL217899,CHEMBL2179105,CHEMBL218103,CHEMBL218653,CHEMBL218793,CHEMBL218990,CHEMBL226630,CHEMBL252387,CHEMBL296435,CHEMBL307646,CHEMBL32442,CHEMBL345360,CHEMBL345812,CHEMBL351500,CHEMBL351613,CHEMBL351900,CHEMBL351915,CHEMBL370220,CHEMBL371037,CHEMBL371089,CHEMBL372575,CHEMBL377709,CHEMBL378681,CHEMBL379768,CHEMBL380321,CHEMBL380933,CHEMBL381681,CHEMBL382168,CHEMBL382545,CHEMBL383225,CHEMBL383762,CHEMBL383837,CHEMBL42126,CHEMBL430893,CHEMBL466068,CHEMBL466280,CHEMBL466481,CHEMBL511115,CHEMBL549560,CHEMBL551052,CHEMBL564209,CHEMBL567470,CHEMBL583914,CHEMBL591501,CHEMBL63,CHEMBL74078,CHEMBL77826,CHEMBL90375,CHEMBL91551,CHEMBL91571}
@attribute SpMax4_Bh.m. numeric
@attribute ATS6p numeric
@attribute ATS6v numeric
@attribute ATS7p numeric
@attribute SM03_AEA.bo. numeric
@attribute SpAD_EA.bo. numeric
@attribute ATSC7p numeric
@attribute ATSC8p numeric
@attribute X2sol numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA.ri. numeric
@attribute piPC01 numeric
@attribute SCBO numeric
@attribute SpMax5_Bh.m. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig11_AEA.bo. numeric
@attribute SM02_AEA.bo. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute ATSC6p numeric
@attribute Eta_F numeric
@attribute ATS5p numeric
@attribute SpMax4_Bh.v. numeric
@attribute Eig09_EA.bo. numeric
@attribute AMR numeric
@attribute Eta_beta numeric
@attribute Eig11_EA.bo. numeric
@attribute Eta_alpha numeric
@attribute SpMax4_Bh.p. numeric
@attribute ATS1m numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_EA.bo. numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute SpMin4_Bh.i. numeric
@attribute ATS5v numeric
@attribute ATS1v numeric
@attribute ATS7v numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig12_EA numeric
@attribute SM02_EA.ri. numeric
@attribute SM06_AEA.dm. numeric
@attribute SpAD_EA.ri. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA.ri. numeric
@attribute X1v numeric
@attribute X2v numeric
@attribute ZM2Mad numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eta_betaP numeric
@attribute SM09_AEA.dm. numeric
@attribute ATSC3p numeric
@attribute ATSC5p numeric
@attribute pXC50 numeric

@data
{1 3.577,2 4.245,3 4.173,4 4.164,5 6.361,6 72.172,7 13.319,8 11.272,9 14.474,10 2,11 1,12 3.902,13 48.5,14 3.425,15 3.613,16 2.147,17 3.106,18 2.644,19 5.14,20 7.671,21 3.106,22 12.928,23 35.911,24 4.27,25 3.557,26 2.092,27 127.891,28 43.75,29 1.707,30 15.971,31 3.562,32 3.772,33 2.302,34 1.217,35 1.987,36 0.921,37 4.516,38 5.204,39 1.966,40 3.245,41 2.878,42 1.642,43 4.193,44 3.748,45 4.073,46 2.905,47 1,48 4.571,49 1,50 52.633,51 2.386,52 1.371,53 11.138,54 8.87,55 218.292,56 2.967,57 1.717,58 3.165,59 0.546,60 0.626,61 23,62 0.546,63 12.904,64 13.783,65 6.821}
{0 CHEMBL1223618,1 3.467,2 3.996,3 3.894,4 3.871,5 6.214,6 63.353,7 8.946,8 8.086,9 11.714,10 1.822,11 0.823,12 3.818,13 44.5,14 3.388,15 3.404,16 1.803,17 3.059,18 2.5,19 5.016,20 7.502,21 3.059,22 9.282,23 29.402,24 4.057,25 3.426,26 1.916,27 111.079,28 42.25,29 1.5,30 13.633,31 3.424,32 3.551,33 2.046,34 0.84,35 1.797,36 0.419,37 4.401,38 5.088,39 1.5,40 2.805,41 2.5,42 1.489,43 3.956,44 3.583,45 3.755,46 2.784,47 0.865,48 4.381,49 0.865,50 44.26,51 2,52 1,53 9.351,54 6.675,55 173.152,56 2.675,57 1.211,58 2.574,59 -0.2,60 -0.27,61 25.5,62 -0.2,63 9.475,64 9.714,65 5.704}
{0 CHEMBL1223619,1 3.474,2 4.082,3 4.046,4 3.981,5 6.383,6 71.393,7 10.183,8 9.381,9 12.517,10 2,11 1,12 3.922,13 49.5,14 3.446,15 3.532,16 2.06,17 3.166,18 2.658,19 5.158,20 7.695,21 3.166,22 10.574,23 38.4,24 4.143,25 3.427,26 2.091,27 118.653,28 46.5,29 1.732,30 15.324,31 3.425,32 3.742,33 2.303,34 1.215,35 2.046,36 0.84,37 4.516,38 5.204,39 2.005,40 3.108,41 2.899,42 1.489,43 4.102,44 3.666,45 3.951,46 2.986,47 1,48 4.507,49 1,50 50.197,51 2.379,52 1.366,53 10.237,54 7.385,55 215.537,56 2.839,57 1.797,58 3.089,59 0.303,60 0.419,61 26,62 0.303,63 10.062,64 11.415,65 4.548}
{0 CHEMBL1223620,1 3.468,2 3.992,3 3.918,4 3.866,5 6.257,6 65.189,7 9.015,8 8.22,9 11.714,10 1.827,11 0.827,12 3.839,13 45.5,14 3.39,15 3.519,16 2.034,17 3.068,18 2.5,19 5.048,20 7.553,21 3.068,22 9.347,23 31.287,24 4.055,25 3.426,26 2.005,27 111.296,28 43,29 1.5,30 13.919,31 3.424,32 3.593,33 2.046,34 0.84,35 1.797,36 0.419,37 4.437,38 5.124,39 1.73,40 3.092,41 2.657,42 1.489,43 3.973,44 3.593,45 3.791,46 2.899,47 0.869,48 4.415,49 0.869,50 45.53,51 2.167,52 1.162,53 9.451,54 6.82,55 183.062,56 2.76,57 1.212,58 2.577,59 -0.199,60 -0.27,61 25.5,62 -0.199,63 9.565,64 9.777,65 5.908}
{0 CHEMBL1223621,1 3.468,2 4.164,3 4.064,4 4.064,5 6.283,6 67.656,7 10.867,8 10.05,9 12.897,10 1.937,11 0.927,12 3.882,13 47.5,14 3.392,15 3.526,16 2.058,17 3.072,18 2.5,19 5.086,20 7.575,21 3.072,22 11.567,23 32.98,24 4.213,25 3.427,26 2.005,27 122.29,28 44.75,29 1.5,30 14.967,31 3.425,32 3.66,33 2.131,34 1.101,35 2.046,36 0.84,37 4.46,38 5.147,39 1.753,40 3.103,41 2.674,42 1.49,43 4.111,44 3.675,45 3.967,46 2.899,47 1,48 4.454,49 1,50 47.81,51 2.203,52 1.195,53 10.462,54 7.27,55 192.142,56 2.76,57 1.797,58 2.765,59 0.303,60 0.419,61 26,62 0.303,63 10.857,64 11.748,65 5.953}
{0 CHEMBL1223684,1 3.468,2 4.077,3 3.973,4 3.987,5 6.257,6 65.189,7 9.869,8 9.137,9 12.348,10 1.827,11 0.827,12 3.839,13 45.5,14 3.39,15 3.519,16 2.058,17 3.068,18 2.5,19 5.048,20 7.553,21 3.068,22 10.159,23 30.355,24 4.127,25 3.428,26 2.005,27 116.12,28 42.75,29 1.5,30 14.133,31 3.426,32 3.584,33 2.046,34 0.84,35 1.797,36 0.419,37 4.437,38 5.124,39 1.73,40 3.101,41 2.657,42 1.49,43 4.021,44 3.624,45 3.873,46 2.899,47 0.869,48 4.43,49 0.869,50 45.919,51 2.173,52 1.171,53 9.762,54 7.179,55 180.152,56 2.76,57 1.212,58 2.577,59 -0.199,60 -0.27,61 25.5,62 -0.199,63 10.079,64 10.613,65 5.873}
{0 CHEMBL1223685,1 3.469,2 4.084,3 4.03,4 3.984,5 6.318,6 69.457,7 10.129,8 9.323,9 12.517,10 2,11 1,12 3.902,13 48.5,14 3.396,15 3.527,16 2.059,17 3.074,18 2.644,19 5.116,20 7.61,21 3.074,22 10.514,23 36.031,24 4.146,25 3.427,26 2.005,27 117.551,28 45.75,29 1.707,30 15.038,31 3.425,32 3.706,33 2.303,34 1.214,35 2.046,36 0.84,37 4.483,38 5.17,39 1.966,40 3.103,41 2.878,42 1.489,43 4.086,44 3.656,45 3.934,46 2.905,47 1,48 4.473,49 1,50 48.833,51 2.379,52 1.366,53 10.138,54 7.216,55 203.131,56 2.76,57 1.797,58 2.774,59 0.303,60 0.419,61 26,62 0.303,63 10.03,64 11.335,65 6.987}
{0 CHEMBL1223686,1 3.721,2 4.048,3 3.99,4 3.982,5 6.391,6 72.417,7 10.641,8 9.569,9 14.959,10 2,11 1,12 3.902,13 48.5,14 3.417,15 3.604,16 2.146,17 3.433,18 2.644,19 5.14,20 7.738,21 3.433,22 10.588,23 38.146,24 4.107,25 3.532,26 2.089,27 116.418,28 46,29 1.707,30 15.138,31 3.588,32 3.889,33 2.299,34 1.209,35 1.867,36 0.752,37 4.57,38 5.257,39 1.966,40 3.218,41 2.878,42 1.571,43 4.054,44 3.657,45 3.924,46 2.903,47 1,48 4.491,49 1,50 49.334,51 2.382,52 1.368,53 11.544,54 9.173,55 252.463,56 2.963,57 1.21,58 2.796,59 -0.15,60 -0.175,61 26,62 -0.15,63 10.5,64 11.336,65 7.441}
{0 CHEMBL1223687,1 3.459,2 4.047,3 4.005,4 3.969,5 6.306,6 69.723,7 10.228,8 9.219,9 13.004,10 2,11 1,12 3.882,13 47.5,14 3.374,15 3.574,16 2.145,17 3.077,18 2.644,19 5.098,20 7.602,21 3.077,22 10.407,23 36.801,24 4.1,25 3.412,26 2.092,27 113.971,28 44.5,29 1.707,30 14.805,31 3.411,32 3.716,33 2.301,34 1.213,35 1.906,36 0.801,37 4.494,38 5.182,39 1.966,40 3.187,41 2.878,42 1.47,43 4.065,44 3.638,45 3.918,46 2.904,47 1,48 4.497,49 1,50 49.405,51 2.385,52 1.37,53 9.842,54 7.128,55 207.289,56 2.875,57 1.33,58 2.776,59 0.018,60 0.021,61 24.5,62 0.018,63 9.797,64 10.937,65 7.492}
{0 CHEMBL1224653,1 3.403,2 4.117,3 4,4 4.056,5 6.219,6 57.097,7 11.679,8 11.029,9 13.16,10 0.708,11 -0.274,12 3.651,13 37.5,14 3.138,15 3.024,16 1.513,17 3.197,18 1.583,19 4.922,20 7.615,21 3.197,22 11.033,23 26.599,24 4.158,25 3.332,26 1.679,27 99.224,28 34.5,29 0.48,30 12.233,31 3.357,32 3.669,33 1,34 -0.795,35 0.917,36 -0.956,37 4.357,38 5.043,39 1.1,40 2.534,41 2.227,42 1.388,43 4.023,44 3.483,45 3.922,46 2.636,47 -0.279,48 4.321,49 -0.279,50 39.704,51 1.726,52 0.731,53 9.863,54 9.178,55 211.822,56 2.25,57 0.703,58 2.339,59 -0.839,60 -1,61 19.5,62 -0.839,63 11.049,64 12.894,65 7.158}
{0 CHEMBL1224717,1 3.48,2 4.119,3 4.036,4 4.051,5 6.27,6 67.673,7 11.251,8 9.94,9 13.124,10 1.828,11 0.828,12 3.861,13 46.5,14 3.393,15 3.566,16 2.118,17 3.077,18 2.5,19 5.067,20 7.569,21 3.077,22 10.874,23 34.264,24 4.158,25 3.414,26 2.09,27 118.731,28 43.75,29 1.5,30 14.733,31 3.412,32 3.679,33 1.91,34 0.812,35 1.583,36 0.48,37 4.472,38 5.159,39 1.746,40 3.173,41 2.668,42 1.473,43 4.078,44 3.653,45 3.945,46 2.899,47 0.872,48 4.475,49 0.872,50 48.035,51 2.184,52 1.179,53 9.967,54 7.136,55 198.297,56 2.909,57 1.512,58 2.78,59 0.387,60 0.416,61 24.5,62 0.387,63 10.085,64 11.646,65 7.506}
{0 CHEMBL1224718,1 3.429,2 4.01,3 3.914,4 3.944,5 6.165,6 61.223,7 9.731,8 8.236,9 11.881,10 1.532,11 0.555,12 3.75,13 41.5,14 3.293,15 3.017,16 1.513,17 3.064,18 2.299,19 4.954,20 7.469,21 3.064,22 9.153,23 28.477,24 4.023,25 3.403,26 1.976,27 107.459,28 39.75,29 1.209,30 13.281,31 3.405,32 3.587,33 1.583,34 0.48,35 1.245,36 -0.108,37 4.388,38 5.075,39 1.745,40 2.533,41 2.667,42 1.461,43 3.928,44 3.532,45 3.841,46 2.842,47 0.62,48 4.333,49 0.62,50 42.057,51 2.183,52 1.178,53 9.016,54 6.577,55 188.001,56 2.243,57 1.034,58 2.497,59 -0.328,60 -0.436,61 23,62 -0.328,63 8.449,64 9.187,65 6.329}
{0 CHEMBL1224719,1 3.456,2 4.007,3 3.907,4 3.932,5 6.165,6 61.307,7 9.615,8 8.306,9 12.034,10 1.496,11 0.527,12 3.75,13 41.5,14 3.305,15 3.286,16 1.635,17 3.067,18 2.298,19 4.954,20 7.466,21 3.067,22 9.223,23 28.427,24 4.011,25 3.403,26 1.755,27 107.459,28 39.75,29 1.207,30 13.281,31 3.405,32 3.587,33 1.583,34 0.48,35 1.181,36 -0.3,37 4.388,38 5.075,39 1.742,40 2.824,41 2.665,42 1.461,43 3.919,44 3.532,45 3.831,46 2.675,47 0.585,48 4.333,49 0.585,50 42.105,51 2.176,52 1.147,53 9.01,54 6.633,55 184.069,56 2.541,57 0.966,58 2.491,59 -0.398,60 -0.506,61 23,62 -0.398,63 8.461,64 9.07,65 6.991}
{0 CHEMBL1224720,1 3.457,2 3.998,3 3.924,4 3.938,5 6.289,6 66.589,7 9.77,8 9.064,9 11.614,10 1.818,11 0.819,12 3.818,13 44.5,14 3.325,15 3.566,16 2.118,17 3.183,18 2.5,19 5.055,20 7.615,21 3.183,22 9.499,23 34.132,24 4.025,25 3.407,26 2.042,27 108.628,28 41.75,29 1.5,30 13.924,31 3.407,32 3.662,33 1.858,34 0.748,35 1.583,36 0.48,37 4.46,38 5.147,39 1.745,40 3.173,41 2.668,42 1.464,43 3.967,44 3.585,45 3.861,46 2.891,47 0.854,48 4.451,49 0.854,50 46.855,51 2.184,52 1.179,53 9.26,54 6.761,55 205.787,56 2.944,57 1.201,58 2.75,59 -0.184,60 -0.241,61 23,62 -0.184,63 9.236,64 10.176,65 6.662}
{0 CHEMBL1224721,1 3.468,2 4.089,3 3.999,4 3.989,5 6.27,6 66.361,7 10.02,8 9.206,9 12.517,10 1.827,11 0.828,12 3.861,13 46.5,14 3.39,15 3.526,16 2.058,17 3.071,18 2.5,19 5.067,20 7.565,21 3.071,22 10.395,23 32.478,24 4.152,25 3.427,26 2.005,27 117.542,28 44.25,29 1.5,30 14.467,31 3.425,32 3.629,33 2.046,34 0.84,35 1.797,36 0.48,37 4.449,38 5.136,39 1.746,40 3.102,41 2.668,42 1.489,43 4.053,44 3.636,45 3.899,46 2.899,47 0.87,48 4.435,49 0.87,50 46.605,51 2.184,52 1.179,53 9.874,54 7.041,55 187.81,56 2.76,57 1.583,58 2.673,59 0.303,60 0.419,61 26,62 0.303,63 9.967,64 11.175,65 6.383}
{0 CHEMBL158286,1 3.331,2 3.672,3 3.698,4 3.585,5 6.294,6 59.225,7 6.916,8 6.334,9 12.058,10 0.907,11 -0.029,12 3.726,13 40.5,14 3.155,15 3.297,16 1.6,17 3.074,18 2.281,19 4.999,20 7.678,21 3.074,22 6.269,23 33.236,24 3.671,25 3.251,26 1.772,27 84.854,28 39.5,29 0.868,30 11.89,31 3.243,32 3.736,33 1.006,34 -0.551,35 1,36 -0.964,37 4.394,38 5.081,39 1.182,40 2.786,41 2.613,42 1.287,43 3.706,44 3.342,45 3.626,46 2.834,47 -0.031,48 4.298,49 -0.031,50 39.61,51 1.751,52 0.759,53 8.39,54 6.598,55 238.191,56 2.374,57 0.831,58 2.37,59 -0.748,60 -1,61 22.5,62 -0.748,63 5.901,64 5.279,65 5.194}
{0 CHEMBL161115,1 3.397,2 3.913,3 3.837,4 3.88,5 6.202,6 61.953,7 7.014,8 7.438,9 11.963,10 1.714,11 0.721,12 3.75,13 41.5,14 3.309,15 3.168,16 1.623,17 3.344,18 2.5,19 4.968,20 7.519,21 3.344,22 6.254,23 29.167,24 3.888,25 3.293,26 1.735,27 98.914,28 39.75,29 1.5,30 12.681,31 3.28,32 3.538,33 1.223,34 -0.289,35 1,36 -0.501,37 4.413,38 5.1,39 1.596,40 2.647,41 2.607,42 1.329,43 3.833,44 3.463,45 3.78,46 2.669,47 0.752,48 4.361,49 0.752,50 42.359,51 2.076,52 1.063,53 8.349,54 6.261,55 183.605,56 2.451,57 0.906,58 2.333,59 -0.481,60 -0.637,61 23.5,62 -0.481,63 6.861,64 6.505,65 6.721}
{0 CHEMBL161465,1 3.461,2 3.864,3 3.811,4 3.807,5 6.183,6 61.52,7 6.944,8 6.748,9 10.933,10 1.707,11 0.715,12 3.75,13 41.5,14 3.267,15 3.242,16 1.647,17 3.333,18 2.5,19 4.954,20 7.499,21 3.333,22 6.241,23 29.295,24 3.839,25 3.269,26 1.677,27 94.676,28 40.75,29 1.5,30 11.867,31 3.254,32 3.467,33 1.194,34 -0.34,35 1,36 -0.706,37 4.413,38 5.1,39 1.583,40 2.659,41 2.581,42 1.308,43 3.811,44 3.411,45 3.737,46 2.626,47 0.744,48 4.331,49 0.744,50 41.433,51 2,52 1,53 7.783,54 5.605,55 169.343,56 2.586,57 0.949,58 2.322,59 -0.688,60 -1,61 25,62 -0.688,63 6.535,64 5.863,65 5.699}
{0 CHEMBL161602,1 3.466,2 3.939,3 3.916,4 3.93,5 6.229,6 63.11,7 8.072,8 7.842,9 12.414,10 1.923,11 0.912,12 3.773,13 42.5,14 3.401,15 3.246,16 1.764,17 3.333,18 2.39,19 5.012,20 7.546,21 3.333,22 7.404,23 31.62,24 3.948,25 3.34,26 1.918,27 103.963,28 39.5,29 1.286,30 13,31 3.322,32 3.607,33 2,34 0.984,35 1.169,36 -0.249,37 4.394,38 5.081,39 1.586,40 2.837,41 2.588,42 1.381,43 3.928,44 3.501,45 3.893,46 2.812,47 0.93,48 4.423,49 0.93,50 45.439,51 2,52 1,53 9.012,54 6.834,55 195.803,56 2.573,57 1,58 2.5,59 -0.322,60 -0.434,61 20.5,62 -0.322,63 8.656,64 7.92,65 5}
{0 CHEMBL161714,1 3.381,2 3.656,3 3.666,4 3.562,5 6.219,6 56.795,7 7.074,8 6.808,9 12.297,10 0.562,11 -0.253,12 3.651,13 37.5,14 3.249,15 3.295,16 1.6,17 3.032,18 1.345,19 4.922,20 7.609,21 3.032,22 6.278,23 30.096,24 3.645,25 3.24,26 1.729,27 83.921,28 36,29 -0.041,30 11.705,31 3.233,32 3.754,33 1,34 -0.601,35 0.905,36 -0.965,37 4.357,38 5.043,39 1.177,40 2.786,41 2.282,42 1.278,43 3.667,44 3.318,45 3.578,46 2.656,47 -0.368,48 4.239,49 -0.368,50 37.671,51 1.749,52 0.756,53 8.483,54 6.852,55 242.283,56 2.374,57 0.766,58 2.167,59 -0.835,60 -1,61 19.5,62 -0.835,63 6.129,64 5.302,65 5.367}
{0 CHEMBL161740,1 3.377,2 3.925,3 3.864,4 3.894,5 6.278,6 64.383,7 6.942,8 7.126,9 11.724,10 1.716,11 0.723,12 3.818,13 44.5,14 3.204,15 3.211,16 1.623,17 3.344,18 2.598,19 5.042,20 7.594,21 3.344,22 6.315,23 32.274,24 3.908,25 3.297,26 1.778,27 99.847,28 43.25,29 1.5,30 12.867,31 3.284,32 3.515,33 2.243,34 0.867,35 1.223,36 -0.29,37 4.449,38 5.136,39 1.596,40 2.647,41 2.635,42 1.333,43 3.866,44 3.483,45 3.819,46 2.835,47 0.754,48 4.414,49 0.754,50 44.298,51 2.077,52 1.064,53 8.256,54 6.006,55 179.512,56 2.451,57 0.99,58 2.589,59 -0.448,60 -0.608,61 26.5,62 -0.448,63 6.735,64 6.473,65 6.244}
{0 CHEMBL162188,1 3.46,2 3.722,3 3.703,4 3.619,5 6.158,6 59.464,7 5.986,8 5.464,9 10.579,10 1.618,11 0.618,12 3.714,13 40,14 3.238,15 3.24,16 1.646,17 3.333,18 2.186,19 4.924,20 7.478,21 3.333,22 5.616,23 27.556,24 3.729,25 3.249,26 1.586,27 87.066,28 38.75,29 1.031,30 11.2,31 3.228,32 3.451,33 1.164,34 -0.39,35 1,36 -0.795,37 4.385,38 5.072,39 1.358,40 2.659,41 2.404,42 1.352,43 3.728,44 3.339,45 3.59,46 2.588,47 0.618,48 4.305,49 0.618,50 40.073,51 1.895,52 0.896,53 7.267,54 5.216,55 169.053,56 2.583,57 0.926,58 2.295,59 -0.698,60 -1.01,61 23,62 -0.698,63 5.621,64 5.137,65 5}
{0 CHEMBL18701,1 3.163,2 3.603,3 3.486,4 3.503,5 5.592,6 35.321,7 6.582,8 5.872,9 8.123,10 0.35,11 -0.631,12 3.258,13 25,14 2.991,15 2.597,16 1.391,17 2.098,18 0.937,19 4.46,20 6.854,21 2.098,22 6.859,23 13.962,24 3.627,25 3.067,26 0.621,27 76.804,28 21.25,29 -0.218,30 9.3,31 3.046,32 3.266,33 0.453,34 -1.042,35 0.385,36 -1.2,37 3.701,38 4.382,39 -0.075,40 2.415,41 1.115,42 1.232,43 3.525,44 3.23,45 3.379,46 1.662,47 -0.658,48 3.915,49 -0.658,50 28.304,51 0.884,52 -0.062,53 7.067,54 4.943,55 119.941,56 1.604,57 -0.259,58 1.325,59 -1.365,60 -1.528,61 8.5,62 -1.365,63 7.5,64 6.912,65 5.4}
{0 CHEMBL1916475,1 3.499,2 4.138,3 4.108,4 4.171,5 6.214,6 63.799,7 9.043,8 10.097,9 13.938,10 2,11 1,12 3.807,13 44,14 3.379,15 3.436,16 2.005,17 2.871,18 2.5,19 5.05,20 7.5,21 2.871,22 8.888,23 31.112,24 4.155,25 3.452,26 1.781,27 123.064,28 38.25,29 1.5,30 15.233,31 3.457,32 3.778,33 2,34 1,35 1.764,36 0.662,37 4.317,38 5.004,39 1.562,40 3.07,41 2.581,42 1.557,43 4.102,44 3.688,45 4.143,46 2.774,47 1,48 4.492,49 1,50 49.855,51 2.159,52 1.147,53 11.397,54 8.209,55 221.68,56 2.524,57 1.667,58 2.892,59 0.501,60 0.564,61 16,62 0.501,63 10.96,64 9.631,65 5.699}
{0 CHEMBL19449,1 3.077,2 3.636,3 3.459,4 3.407,5 5.7,6 36.403,7 8.108,8 4.995,9 7.532,11 -1,12 3.219,13 24,14 2.853,15 2.455,16 1.146,17 2.31,18 0.23,19 4.46,20 7.033,21 2.31,22 7.047,23 12.163,24 3.612,25 3.074,26 -0.914,27 69.056,28 19.5,29 -1,30 8.133,31 3.084,32 3.078,34 -1.568,35 -0.132,36 -1.81,37 3.855,38 4.538,39 -1,40 2.15,41 0.622,42 1.142,43 3.523,44 3.105,45 3.036,46 0.77,47 -1,48 3.948,49 -1,50 27.361,51 0.098,52 -0.846,53 6.035,54 4.964,55 113.098,56 1.436,57 -0.378,58 1.098,59 -1.832,60 -2.151,61 9.5,62 -1.832,63 6.431,64 5.88,65 6.622}
{0 CHEMBL196969,1 3.813,2 4.555,3 4.413,4 4.519,5 6.562,6 85.545,7 16.844,8 16.805,9 18.533,10 2.181,11 1.168,12 4.06,13 57,14 3.689,15 3.747,16 2.192,17 3.665,18 2.757,19 5.303,20 7.911,21 3.665,22 15.555,23 42.078,24 4.538,25 3.708,26 2.232,27 149.523,28 52,29 1.84,30 18.133,31 3.757,32 4.019,33 2.5,34 1.5,35 2.481,36 1.476,37 4.743,38 5.432,39 2.133,40 3.206,41 2.936,42 1.632,43 4.408,44 3.857,45 4.355,46 3.012,47 1.204,48 4.679,49 1.204,50 58.448,51 2.461,52 1.444,53 14.477,54 12.026,55 296.313,56 3.19,57 2.24,58 3.412,59 0.738,60 1.057,61 30.5,62 0.738,63 13.476,64 15.687,65 9.155}
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{0 CHEMBL197392,1 3.763,2 4.61,3 4.489,4 4.618,5 6.609,6 89.357,7 18.008,8 18.592,9 18.925,10 2.22,11 1.218,12 4.103,13 59.5,14 3.671,15 3.811,16 2.399,17 3.675,18 2.936,19 5.348,20 7.959,21 3.675,22 15.957,23 46.854,24 4.568,25 3.755,26 2.325,27 155.405,28 55,29 2.133,30 18.8,31 3.759,32 4.001,33 2.5,34 1.5,35 2.5,36 1.5,37 4.787,38 5.476,39 2.226,40 3.421,41 3.011,42 1.793,43 4.457,44 3.912,45 4.473,46 3.093,47 1.227,48 4.757,49 1.227,50 62.286,51 2.52,52 1.506,53 14.524,54 12.015,55 288.828,56 3.191,57 2.482,58 3.414,59 1,60 1.476,61 32.5,62 1,63 14.625,64 16.126,65 9.398}
{0 CHEMBL197494,1 3.709,2 4.404,3 4.321,4 4.375,5 6.418,6 77.794,7 13.595,8 13.409,9 14.616,10 2.139,11 1.138,12 3.97,13 52,14 3.517,15 3.604,16 2.189,17 3.469,18 2.682,19 5.193,20 7.727,21 3.469,22 12.148,23 37.345,24 4.356,25 3.567,26 2.132,27 128.826,28 48.25,29 1.761,30 15.933,31 3.532,32 3.739,33 2.481,34 1.476,35 2.389,36 1.242,37 4.623,38 5.311,39 1.973,40 3.195,41 2.836,42 1.598,43 4.285,44 3.735,45 4.25,46 2.935,47 1.142,48 4.618,49 1.142,50 54.878,51 2.382,52 1.373,53 11.012,54 8.343,55 222.729,56 3.018,57 2.179,58 3.264,59 0.736,60 1.053,61 27.5,62 0.736,63 10.436,64 11.796,65 8.244}
{0 CHEMBL198432,1 3.382,2 3.998,3 3.889,4 3.909,5 6.102,6 57.939,7 9.013,8 7.686,9 10.65,10 1.293,11 0.366,12 3.701,13 39.5,14 3.101,15 3.017,16 1.513,17 3.017,18 2.28,19 4.896,20 7.399,21 3.017,22 8.972,23 26.089,24 4.018,25 3.368,26 1.743,27 99.159,28 38,29 1.176,30 12.133,31 3.371,32 3.461,33 1.385,34 0.066,35 1.05,36 -0.473,37 4.337,38 5.024,39 1.5,40 2.533,41 2.5,42 1.421,43 3.915,44 3.472,45 3.797,46 2.666,47 0.427,48 4.3,49 0.427,50 40.107,51 1.984,52 0.983,53 8.243,54 5.983,55 160.988,56 2.243,57 0.89,58 2.353,59 -0.578,60 -0.824,61 22.5,62 -0.578,63 7.964,64 8.983,65 8.481}
{0 CHEMBL198464,1 3.79,2 4.625,3 4.5,4 4.608,5 6.468,6 81.226,7 18.215,8 17.263,9 15.988,10 2.144,11 1.142,12 4.016,13 54.5,14 3.518,15 3.72,16 2.189,17 3.586,18 2.683,19 5.243,20 7.779,21 3.586,22 16.452,23 39.588,24 4.561,25 3.741,26 2.221,27 142.693,28 50,29 1.764,30 17.348,31 3.75,32 3.816,33 2.5,34 1.5,35 2.481,36 1.476,37 4.673,38 5.361,39 2.131,40 3.28,41 2.935,42 1.778,43 4.439,44 3.824,45 4.46,46 3.001,47 1.148,48 4.668,49 1.148,50 57.225,51 2.461,52 1.444,53 12.277,54 9.735,55 237.749,56 3.111,57 2.199,58 3.414,59 0.875,60 1.113,61 29,62 0.875,63 13.755,64 16.196,65 7.167}
{0 CHEMBL198527,1 3.877,2 4.707,3 4.596,4 4.753,5 6.72,6 93.103,7 21.788,8 23.043,9 22.623,10 2.498,11 1.483,12 4.135,13 61.5,14 3.717,15 3.789,16 2.238,17 3.918,18 2.979,19 5.419,20 8.114,21 3.918,22 19.003,23 53.244,24 4.665,25 3.791,26 2.368,27 163.855,28 55.25,29 2.174,30 20.133,31 3.824,32 4.186,33 2.719,34 1.791,35 2.641,36 1.681,37 4.832,38 5.521,39 2.235,40 3.294,41 3.018,42 1.816,43 4.559,44 3.966,45 4.624,46 3.209,47 1.507,48 4.818,49 1.507,50 65.583,51 2.54,52 1.535,53 16.884,54 15.57,55 353.654,56 3.197,57 2.5,58 3.559,59 1,60 1.5,61 31,62 1,63 18.186,64 19.894,65 7.854}
{0 CHEMBL198564,1 3.518,2 4.502,3 4.354,4 4.393,5 6.318,6 68.574,7 16.512,8 13.797,9 14.247,10 1.984,11 0.983,12 3.839,13 45.5,14 3.498,15 3.569,16 2.194,17 3.19,18 2.5,19 5.086,20 7.641,21 3.19,22 16.81,23 30.537,24 4.507,25 3.521,26 2.067,27 126.944,28 40.25,29 1.5,30 15.133,31 3.532,32 3.652,33 2.179,34 1.056,35 2.03,36 0.948,37 4.472,38 5.159,39 1.753,40 3.196,41 2.674,42 1.598,43 4.375,44 3.727,45 4.213,46 2.907,47 1,48 4.565,49 1,50 50.867,51 2.216,52 1.214,53 10.93,54 9.19,55 200.324,56 2.943,57 1.147,58 2.857,59 -0.271,60 -0.359,61 22,62 -0.271,63 13.862,64 16.976,65 6.975}
{0 CHEMBL198674,1 3.787,2 4.701,3 4.563,4 4.699,5 6.691,6 94.738,7 19.847,8 20.782,9 20.883,10 2.461,11 1.444,12 4.151,13 62.5,14 3.689,15 3.811,16 2.495,17 3.752,18 2.936,19 5.417,20 8.052,21 3.752,22 19.338,23 50.7,24 4.698,25 3.787,26 2.506,27 168.764,28 56.25,29 2.133,30 20.233,31 3.794,32 4.062,33 2.687,34 1.765,35 2.5,36 1.5,37 4.836,38 5.525,39 2.232,40 3.51,41 3.012,42 1.827,43 4.565,44 3.997,45 4.556,46 3.241,47 1.487,48 4.854,49 1.487,50 67.62,51 2.53,52 1.523,53 15.637,54 13.43,55 309.823,56 3.191,57 2.5,58 3.514,59 1,60 1.5,61 32.5,62 1,63 17.428,64 20.1,65 9.301}
{0 CHEMBL198722,1 4.055,2 4.726,3 4.604,4 4.767,5 6.788,6 100.743,7 21.023,8 22.656,9 24.489,10 2.396,11 1.38,12 4.205,13 66,14 3.816,15 4.029,16 2.577,17 4.088,18 3.011,19 5.489,20 8.177,21 4.088,22 18.842,23 54.914,24 4.702,25 3.817,26 2.941,27 174.089,28 59.25,29 2.229,30 21.467,31 3.905,32 4.276,33 2.778,34 1.859,35 2.659,36 1.729,37 4.918,38 5.608,39 2.492,40 3.6,41 3.231,42 1.805,43 4.574,44 4.018,45 4.638,46 3.577,47 1.427,48 4.862,49 1.427,50 69.153,51 2.697,52 1.648,53 18.166,54 16.597,55 396.54,56 3.595,57 2.5,58 3.611,59 1,60 1.5,61 33.5,62 1,63 18.333,64 19.627,65 7.959}
{0 CHEMBL198732,1 3.922,2 4.654,3 4.56,4 4.669,5 6.759,6 97.7,7 18.871,8 19.674,9 22.695,10 2.486,11 1.464,12 4.174,13 64,14 3.75,15 3.888,16 2.35,17 4.039,18 2.979,19 5.455,20 8.153,21 4.039,22 16.969,23 54.352,24 4.626,25 3.796,26 2.697,27 158.564,28 58.75,29 2.174,30 20.033,31 3.829,32 4.206,33 2.72,34 1.796,35 2.642,36 1.682,37 4.896,38 5.585,39 2.242,40 3.418,41 3.02,42 1.814,43 4.529,44 3.948,45 4.56,46 3.367,47 1.512,48 4.84,49 1.512,50 67.107,51 2.535,52 1.527,53 16.544,54 15.089,55 367.895,56 3.46,57 2.5,58 3.581,59 1,60 1.5,61 33.5,62 1,63 16.17,64 18.549,65 7.854}
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