@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1803

@attribute molecule_id {CHEMBL101416,CHEMBL102030,CHEMBL1094115,CHEMBL1094116,CHEMBL1094127,CHEMBL1094128,CHEMBL1094431,CHEMBL1094753,CHEMBL1095137,CHEMBL1095138,CHEMBL1095148,CHEMBL1096039,CHEMBL1096040,CHEMBL1096053,CHEMBL1096088,CHEMBL1097384,CHEMBL1097733,CHEMBL1098071,CHEMBL1098437,CHEMBL1098726,CHEMBL1098727,CHEMBL1098760,CHEMBL1098761,CHEMBL1099103,CHEMBL1221917,CHEMBL1221918,CHEMBL1221969,CHEMBL1221972,CHEMBL1222021,CHEMBL1222022,CHEMBL1222132,CHEMBL1222133,CHEMBL1222288,CHEMBL1222289,CHEMBL1222290,CHEMBL130110,CHEMBL136191,CHEMBL136217,CHEMBL136278,CHEMBL136387,CHEMBL137682,CHEMBL137961,CHEMBL138032,CHEMBL138185,CHEMBL138777,CHEMBL138779,CHEMBL138860,CHEMBL138987,CHEMBL139068,CHEMBL139349,CHEMBL139390,CHEMBL140085,CHEMBL140234,CHEMBL140361,CHEMBL19677,CHEMBL214529,CHEMBL2315999,CHEMBL2316248,CHEMBL275402,CHEMBL336265,CHEMBL336789,CHEMBL337322,CHEMBL337562,CHEMBL337813,CHEMBL341999,CHEMBL342451,CHEMBL342896,CHEMBL343370,CHEMBL343390,CHEMBL343753,CHEMBL344897,CHEMBL387737,CHEMBL423725,CHEMBL443467,CHEMBL444773,CHEMBL446300,CHEMBL450871,CHEMBL452882,CHEMBL455056,CHEMBL458844,CHEMBL472841,CHEMBL475914,CHEMBL477593,CHEMBL478216,CHEMBL478464,CHEMBL479061,CHEMBL480111,CHEMBL485857,CHEMBL486060,CHEMBL487291,CHEMBL487496,CHEMBL487702,CHEMBL487705,CHEMBL488318,CHEMBL489362,CHEMBL491402,CHEMBL492404,CHEMBL495518,CHEMBL495906,CHEMBL496105,CHEMBL496106,CHEMBL496314,CHEMBL496738,CHEMBL496945,CHEMBL497358,CHEMBL497978,CHEMBL499029,CHEMBL500111,CHEMBL500859,CHEMBL501166,CHEMBL501430,CHEMBL501976,CHEMBL501977,CHEMBL502512,CHEMBL502756,CHEMBL502789,CHEMBL503,CHEMBL507237,CHEMBL509676,CHEMBL515393,CHEMBL515964,CHEMBL520731,CHEMBL521080,CHEMBL521385,CHEMBL521708,CHEMBL524292,CHEMBL524347,CHEMBL524354,CHEMBL526179,CHEMBL526564,CHEMBL538164,CHEMBL564629}
@attribute Eig07_EA.dm. numeric
@attribute Eig08_EA.dm. numeric
@attribute nHAcc numeric
@attribute MAXDN numeric
@attribute X. numeric
@attribute SaasC numeric
@attribute Eig02_AEA.dm. numeric
@attribute ATSC2s numeric
@attribute GATS3i numeric
@attribute Psi_e_A numeric
@attribute Psi_i_A numeric
@attribute nX numeric
@attribute Mi numeric
@attribute SsF numeric
@attribute ATSC5e numeric
@attribute ATSC5s numeric
@attribute GATS1i numeric
@attribute GATS3e numeric
@attribute ATSC1s numeric
@attribute ATS2s numeric
@attribute ATSC1i numeric
@attribute ATSC2i numeric
@attribute C.013 numeric
@attribute DELS numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_EA.dm. numeric
@attribute F.083 numeric
@attribute MATS2s numeric
@attribute MATS5e numeric
@attribute MATS5s numeric
@attribute nCRX3 numeric
@attribute nF numeric
@attribute NsF numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_LogP_5 numeric
@attribute SM02_EA.dm. numeric
@attribute SM03_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute SM05_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM09_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM13_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SM15_EA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SssssC numeric
@attribute ZM1Kup numeric
@attribute ATSC2e numeric
@attribute ATSC1e numeric
@attribute pXC50 numeric

@data
{3 4,4 1.74,5 6.3,6 4.278,7 3.683,8 17.753,9 0.868,10 7.897,11 2.397,12 3,13 1.111,15 0.586,16 73.523,17 1.252,18 1.113,19 7.751,20 5.627,21 0.622,22 1.066,24 31.99,25 1.94,26 3.598,27 1.2,29 0.078,30 0.025,31 -0.074,35 10.709,36 4.504,38 16.789,39 3.331,40 1.738,41 5.162,42 3.17,43 7.234,44 4.557,45 9.367,46 5.92,47 11.519,48 7.266,49 13.678,50 8.604,51 15.84,52 9.936,53 13.877,54 7.431,55 7.426,56 4.91,57 4.625,58 4.419,59 4.284,61 470.232,62 0.3,63 0.062,64 6.854}
{0 CHEMBL102030,1 0.293,3 9,4 5.831,5 5.4,6 1.109,7 4.388,8 180.239,9 0.82,10 8.316,11 2.816,12 3,13 1.133,14 41.372,15 1.127,16 148.452,17 0.954,18 0.746,19 41.971,20 6.315,21 0.961,22 1.94,23 1,24 67.631,25 2.95,26 3.73,27 2.341,28 3,29 0.349,30 -0.068,31 -0.109,32 1,33 3,34 3,35 13.239,36 6.316,37 44.88,38 86.84,39 3.964,40 4.067,41 6.04,42 6.763,43 8.447,44 9.418,45 10.974,46 12.086,47 13.562,48 14.762,49 16.187,50 17.443,51 18.835,52 20.125,53 24.658,54 8.513,55 7.999,56 7.474,57 7.428,58 6.351,59 4.947,60 -4.581,61 781.931,62 1.165,63 0.254,64 7.301}
{0 CHEMBL1094115,1 0.141,3 9,4 2.769,5 3.6,6 2.428,7 4.057,8 54.515,9 1.217,10 8.121,11 2.621,12 2,13 1.117,15 1.27,16 169.771,17 1.318,18 0.873,19 22.911,20 5.965,21 0.808,22 1.368,24 60.947,25 2.035,26 3.583,27 1.626,29 0.12,30 -0.086,31 -0.111,35 13.812,36 6.322,38 62.546,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.018,59 4.861,60 -1.346,61 673.989,62 0.557,63 0.175,64 7.301}
{0 CHEMBL1094116,1 0.141,3 9,4 2.84,5 3.6,6 2.456,7 4.057,8 54.801,9 1.139,10 8.121,11 2.621,12 2,13 1.117,15 1.202,16 166.942,17 1.318,18 0.828,19 22.911,20 5.964,21 0.808,22 1.365,24 59.939,25 2.035,26 3.583,27 1.626,29 0.119,30 -0.111,31 -0.114,35 13.807,36 6.316,38 64.874,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.018,59 4.844,60 -1.327,61 673.989,62 0.546,63 0.175,64 6.854}
{0 CHEMBL1094127,1 0.141,3 10,4 2.759,5 3.4,6 2.24,7 4.057,8 58.081,9 1.253,10 8.095,11 2.595,12 2,13 1.114,15 1.364,16 174.627,17 1.294,18 0.904,19 25.259,20 6.054,21 0.844,22 1.442,24 66.393,25 2.035,26 3.581,27 1.626,29 0.126,30 -0.155,31 -0.146,35 14.936,36 6.91,38 69.741,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.203,59 5.016,60 -1.368,61 753.724,62 0.672,63 0.222,64 6.398}
{0 CHEMBL1094128,1 0.141,3 9,4 2.721,5 3.4,6 2.757,7 4.057,8 52.274,9 1.16,10 8.053,11 2.553,12 2,13 1.109,15 1.212,16 163.741,17 1.203,18 0.862,19 22.587,20 6.018,21 0.835,22 1.474,24 63.456,25 2.035,26 3.615,27 1.626,29 0.119,30 -0.177,31 -0.141,35 14.949,36 6.911,38 56.143,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.019,59 4.942,60 -1.326,61 724.849,62 0.563,63 0.178,64 7.097}
{0 CHEMBL1094431,1 0.141,3 10,4 2.88,5 3.6,6 1.853,7 4.057,8 59.392,9 1.229,10 8.148,11 2.648,12 2,13 1.12,15 1.325,16 172.995,17 1.383,18 0.834,19 25.883,20 5.979,21 0.828,22 1.389,24 62.639,25 2.035,26 3.583,27 1.626,29 0.124,30 -0.111,31 -0.138,35 13.809,36 6.33,38 62.117,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.019,59 4.955,60 -1.386,61 693.634,62 0.614,63 0.206,64 6.509}
{0 CHEMBL1094753,1 0.141,3 8,4 2.492,5 3.7,6 3.229,7 4.057,8 26.681,9 1.092,10 8.022,11 2.522,12 2,13 1.115,15 0.964,16 150.631,17 1.303,18 0.914,19 14.364,20 5.822,21 0.788,22 1.337,24 50.769,25 2.035,26 4.057,27 2.035,29 0.049,30 -0.216,31 -0.169,35 13.372,36 6.04,38 95.933,39 3.43,40 2.125,41 4.635,42 3.624,43 5.973,44 5.073,45 7.355,46 6.5,47 8.756,48 7.921,49 10.166,50 9.342,51 11.582,52 10.765,53 18.767,54 7.446,55 7.409,56 6.818,57 5.018,58 4.841,59 4.689,60 -1.242,61 621.749,62 0.392,63 0.098,64 6.854}
{0 CHEMBL1095137,1 0.141,3 10,4 2.921,5 3.8,6 1.643,7 4.057,8 64.591,9 1.242,10 8.18,11 2.68,12 2,13 1.119,15 1.351,16 166.596,17 1.383,18 0.819,19 28.114,20 5.967,21 0.78,22 1.307,24 62.738,25 2.035,26 3.587,27 1.626,29 0.124,30 -0.12,31 -0.139,35 13.439,36 6.196,38 67.168,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.128,59 5.016,60 -1.391,61 703.724,62 0.704,63 0.25,64 7.237}
{0 CHEMBL1095138,1 0.141,3 10,4 2.825,5 3.4,6 2.029,7 4.057,8 57.971,9 1.253,10 8.095,11 2.595,12 2,13 1.114,15 1.408,16 176.519,17 1.294,18 0.893,19 25.37,20 6.052,21 0.844,22 1.442,24 67.488,25 2.035,26 3.615,27 1.626,29 0.122,30 -0.181,31 -0.155,35 14.955,36 6.939,38 69.741,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.192,59 5.016,60 -1.393,61 753.724,62 0.672,63 0.222,64 7.155}
{0 CHEMBL1095148,1 0.141,3 10,4 2.765,5 3.4,6 2.229,7 4.057,8 58.081,9 1.253,10 8.095,11 2.595,12 2,13 1.114,15 1.473,16 179.379,17 1.294,18 0.904,19 25.259,20 6.054,21 0.844,22 1.442,24 66.406,25 2.035,26 3.581,27 1.626,29 0.126,30 -0.118,31 -0.136,35 14.936,36 6.911,38 69.741,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.202,59 5.016,60 -1.368,61 753.724,62 0.672,63 0.222,64 6.387}
{0 CHEMBL1096039,1 0.141,3 8,4 2.504,5 3.7,6 3.213,7 4.057,8 26.225,9 1.219,10 8.022,11 2.522,12 2,13 1.115,15 0.917,16 138.376,17 1.303,18 0.944,19 14.364,20 5.821,21 0.788,22 1.341,24 51.27,25 2.035,26 4.057,27 2.035,29 0.046,30 -0.195,31 -0.164,35 13.376,36 6.045,38 93.605,39 3.43,40 2.125,41 4.635,42 3.624,43 5.973,44 5.073,45 7.355,46 6.5,47 8.756,48 7.921,49 10.166,50 9.342,51 11.582,52 10.765,53 18.767,54 7.446,55 7.409,56 6.818,57 5.018,58 4.854,59 4.688,60 -1.254,61 621.749,62 0.406,63 0.098,64 7.528}
{0 CHEMBL1096040,1 0.141,3 7,4 2.464,5 3.6,6 3.65,7 4.057,8 23.171,9 1.166,10 7.995,11 2.495,12 2,13 1.111,15 0.846,16 139.684,17 1.241,18 0.925,19 13.502,20 5.812,21 0.764,22 1.315,24 48.739,25 2.035,26 4.057,27 2.035,29 0.047,30 -0.184,31 -0.151,35 13.381,36 6.04,38 87.314,39 3.43,40 2.125,41 4.635,42 3.624,43 5.973,44 5.073,45 7.355,46 6.5,47 8.756,48 7.921,49 10.166,50 9.342,51 11.582,52 10.765,53 18.767,54 7.446,55 7.409,56 6.818,57 5.017,58 4.736,59 4.664,60 -1.214,61 602.103,62 0.351,63 0.072,64 7.222}
{0 CHEMBL1096053,1 0.141,3 10,4 2.875,5 3.6,6 2.15,7 4.057,8 58.607,9 1.175,10 8.148,11 2.648,12 2,13 1.12,15 1.244,16 176.198,17 1.274,18 0.827,19 26.235,20 5.966,21 0.831,22 1.374,24 60.475,25 2.035,26 3.577,27 1.626,29 0.123,30 -0.201,31 -0.164,35 13.786,36 6.307,38 53.07,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.021,59 4.992,60 -1.34,61 693.634,62 0.583,63 0.216,64 6.569}
{0 CHEMBL1096088,1 0.141,3 9,4 2.76,5 3.8,6 2.533,7 4.057,8 58.559,9 1.244,10 8.133,11 2.633,12 2,13 1.114,15 1.18,16 155.011,17 1.274,18 0.847,19 25.266,20 5.931,21 0.778,22 1.35,24 59.973,25 2.035,26 3.587,27 1.626,29 0.122,30 -0.127,31 -0.134,35 13.441,36 6.181,38 59.861,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.017,59 4.812,60 -1.324,61 674.849,62 0.585,63 0.202,64 6.77}
{0 CHEMBL1097384,3 7,4 2.433,5 3.8,6 3.085,7 4.057,8 21.913,9 1.195,10 7.931,11 2.431,12 2,13 1.115,15 0.844,16 117.431,17 1.342,18 0.953,19 11.386,20 5.779,21 0.768,22 1.317,24 44.883,25 2.035,26 3.539,27 1.626,29 0.041,30 -0.194,31 -0.177,35 12.657,36 5.718,38 59.36,39 3.118,40 2.125,41 4.23,42 3.624,43 5.525,44 5.073,45 6.884,46 6.5,47 8.273,48 7.921,49 9.677,50 9.342,51 11.09,52 10.765,53 14.698,54 7.445,55 7.409,56 5.018,57 4.899,58 4.69,59 4.632,60 -1.183,61 570.103,62 0.383,63 0.077,64 6.699}
{0 CHEMBL1097733,1 0.141,3 10,4 2.827,5 3.6,6 2.133,7 4.057,8 60.694,9 1.33,10 8.148,11 2.648,12 2,13 1.12,15 1.161,16 160.074,17 1.383,18 0.868,19 25.622,20 5.974,21 0.828,22 1.388,24 61.675,25 2.035,26 3.577,27 1.626,29 0.12,30 -0.171,31 -0.149,35 13.792,36 6.31,38 71.593,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.019,59 4.963,60 -1.352,61 693.634,62 0.619,63 0.206,64 6.585}
{0 CHEMBL1098071,1 0.141,3 10,4 2.875,5 3.6,6 2.15,7 4.057,8 60.342,9 1.136,10 8.148,11 2.648,12 2,13 1.12,15 1.252,16 177.427,17 1.383,18 0.819,19 25.622,20 5.971,21 0.828,22 1.383,24 61.225,25 2.035,26 3.577,27 1.626,29 0.114,30 -0.196,31 -0.16,35 13.79,36 6.307,38 71.164,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.019,59 4.945,60 -1.34,61 693.634,62 0.601,63 0.206,64 5.9}
{0 CHEMBL1098437,1 0.141,3 9,4 2.698,5 3.4,6 2.876,7 4.057,8 52.774,9 1.191,10 8.053,11 2.553,12 2,13 1.109,15 1.152,16 157.179,17 1.203,18 0.866,19 22.476,20 6.02,21 0.835,22 1.474,24 62.261,25 2.035,26 3.581,27 1.626,29 0.121,30 -0.188,31 -0.163,35 14.932,36 6.887,38 56.143,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.019,59 4.948,60 -1.301,61 724.849,62 0.563,63 0.178,64 6.553}
{0 CHEMBL1098726,1 0.141,3 9,4 2.764,5 3.6,6 2.57,7 4.057,8 54.69,9 1.251,10 8.121,11 2.621,12 2,13 1.117,15 1.132,16 164.203,17 1.318,18 0.868,19 22.911,20 5.964,21 0.808,22 1.368,24 59.801,25 2.035,26 3.577,27 1.626,29 0.118,30 -0.167,31 -0.144,35 13.797,36 6.304,38 62.546,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.018,59 4.855,60 -1.312,61 673.989,62 0.557,63 0.175,64 6.559}
{0 CHEMBL1098727,3 10,4 2.506,5 3.4,6 3.945,7 4.057,8 28.615,9 1.205,10 7.948,11 2.448,12 2,13 1.126,15 1.135,16 132.742,17 1.189,18 0.923,19 14.914,20 5.926,21 0.961,22 1.554,24 51.12,25 2.035,26 3.54,27 1.626,29 0.048,30 -0.188,31 -0.183,35 14.466,36 6.548,38 81.414,39 3.118,40 2.125,41 4.23,42 3.624,43 5.525,44 5.073,45 6.884,46 6.5,47 8.273,48 7.921,49 9.677,50 9.342,51 11.09,52 10.765,53 14.698,54 7.446,55 7.409,56 5.273,57 5.017,58 4.842,59 4.688,60 -1.256,61 697.372,62 0.531,63 0.198,64 7.097}
{0 CHEMBL1098760,1 0.141,3 10,4 2.88,5 3.6,6 2.068,7 4.057,8 60.544,9 1.184,10 8.148,11 2.648,12 2,13 1.12,15 1.339,16 180.139,17 1.383,18 0.833,19 25.622,20 5.976,21 0.828,22 1.385,24 61.941,25 2.035,26 3.583,27 1.626,29 0.122,30 -0.085,31 -0.114,35 13.802,36 6.321,38 61.688,39 3.285,40 2.125,41 4.347,42 3.624,43 5.593,44 5.073,45 6.921,46 6.5,47 8.292,48 7.921,49 9.687,50 9.342,51 11.094,52 10.765,53 17.571,54 7.475,55 7.445,56 6.82,57 6.351,58 5.019,59 4.962,60 -1.367,61 693.634,62 0.61,63 0.206,64 7}
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{0 CHEMBL515964,1 0.293,3 10,4 6.547,5 9.5,6 -3.761,7 4.471,8 277.781,9 0.776,10 8.428,11 2.928,12 6,13 1.152,14 84.558,15 2.87,16 478.868,17 0.943,18 0.583,19 55.047,20 6.601,21 1.339,22 2.785,23 2,24 88.765,25 3.825,26 4.358,27 2.95,28 6,29 0.436,30 0.366,31 0.393,32 2,33 6,34 6,35 17.265,36 10.426,37 89.761,38 105.176,39 4.139,40 4.59,41 6.409,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 26.707,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.569,61 940.976,62 1.674,63 0.274,64 7.347}
{0 CHEMBL520731,1 0.4,2 0.293,3 11,4 6.555,5 8.8,6 -3.805,7 4.471,8 273.997,9 0.803,10 8.38,11 2.88,12 6,13 1.155,14 84.928,15 3.031,16 493.671,17 1.022,18 0.603,19 49.858,20 6.629,21 1.417,22 2.879,23 2,24 90.131,25 3.825,26 4.358,27 2.95,28 6,29 0.434,30 0.37,31 0.401,32 2,33 6,34 6,35 18.1,36 10.811,37 89.761,38 108.3,39 4.155,40 4.594,41 6.409,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 28.307,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.587,61 970.621,62 1.753,63 0.271,64 9.301}
{0 CHEMBL521080,1 0.4,2 0.293,3 11,4 6.556,5 8.5,6 -3.792,7 4.471,8 273.551,9 0.776,10 8.346,11 2.846,12 6,13 1.154,14 85.093,15 3.065,16 496.292,17 1.03,18 0.609,19 47.309,20 6.642,21 1.453,22 2.937,23 2,24 90.932,25 3.825,26 4.358,27 2.95,28 6,29 0.434,30 0.371,31 0.398,32 2,33 6,34 6,35 18.492,36 10.965,37 89.761,38 108.3,39 4.155,40 4.594,41 6.409,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 28.307,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.589,61 974.621,62 1.74,63 0.25,64 8.854}
{0 CHEMBL521385,1 0.293,3 11,4 6.599,5 9.8,6 -4.164,7 4.48,8 274.533,9 0.784,10 8.479,11 2.979,12 6,13 1.147,14 85.061,15 3.093,16 508.763,17 0.921,18 0.685,19 62.697,20 6.624,21 1.287,22 2.687,23 2,24 94.813,25 3.825,26 4.362,27 2.95,28 6,29 0.415,30 0.293,31 0.359,32 2,33 6,34 6,35 18.704,36 11.583,37 89.761,38 130.466,39 4.176,40 4.59,41 6.414,42 7.383,43 8.942,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 28.208,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.687,61 1030.02,62 1.777,63 0.366,64 8.013}
{0 CHEMBL521708,1 0.4,2 0.293,3 11,4 6.575,5 9.4,6 -4.398,7 4.48,8 281.034,9 0.747,10 8.443,11 2.943,12 6,13 1.153,14 85.08,15 3.022,16 492.447,17 0.966,18 0.69,19 58.625,20 6.623,21 1.338,22 2.747,23 2,24 94.576,25 3.825,26 4.362,27 2.95,28 6,29 0.419,30 0.321,31 0.383,32 2,33 6,34 6,35 18.021,36 11.035,37 89.761,38 118.662,39 4.163,40 4.59,41 6.41,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 28.427,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.635,61 988.712,62 1.798,63 0.335,64 8.699}
{0 CHEMBL524292,1 0.293,3 10,4 6.56,5 9.2,6 -4.137,7 4.471,8 282.235,9 0.744,10 8.417,11 2.917,12 6,13 1.15,14 84.706,15 2.994,16 487.17,17 0.939,18 0.666,19 56.481,20 6.621,21 1.328,22 2.773,23 2,24 92.333,25 3.825,26 4.358,27 2.95,28 6,29 0.43,30 0.336,31 0.39,32 2,33 6,34 6,35 17.821,36 10.787,37 89.761,38 118.662,39 4.158,40 4.59,41 6.41,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 27.627,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.601,61 974.379,62 1.736,63 0.288,64 6.276}
{0 CHEMBL524347,1 0.293,3 11,4 6.597,5 9.8,6 -3.93,7 4.48,8 275.189,9 0.804,10 8.479,11 2.979,12 6,13 1.147,14 85.074,15 3.131,16 511.516,17 0.921,18 0.684,19 62.54,20 6.623,21 1.287,22 2.688,23 2,24 94.476,25 3.825,26 4.362,27 2.95,28 6,29 0.415,30 0.301,31 0.358,32 2,33 6,34 6,35 18.657,36 11.524,37 89.761,38 139.943,39 4.176,40 4.59,41 6.414,42 7.383,43 8.942,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 28.208,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.682,61 1030.02,62 1.781,63 0.366,64 8.432}
{0 CHEMBL524354,1 0.293,3 10,4 6.572,5 8.8,6 -4.321,7 4.48,8 282.561,9 0.764,10 8.389,11 2.889,12 6,13 1.149,14 85.323,15 3.033,16 493.979,17 0.949,18 0.644,19 52.813,20 6.632,21 1.364,22 2.842,23 2,24 94.214,25 3.825,26 4.362,27 2.95,28 6,29 0.431,30 0.344,31 0.398,32 2,33 6,34 6,35 18.365,36 11.141,37 89.761,38 118.662,39 4.158,40 4.59,41 6.41,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 27.627,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.627,61 980.379,62 1.729,63 0.265,64 7.745}
{0 CHEMBL526179,1 0.293,3 10,4 6.563,5 8.8,6 -4.144,7 4.471,8 282.839,9 0.764,10 8.389,11 2.889,12 6,13 1.149,14 84.883,15 3.031,16 493.166,17 0.949,18 0.656,19 52.701,20 6.634,21 1.364,22 2.842,23 2,24 93.165,25 3.825,26 4.358,27 2.95,28 6,29 0.433,30 0.353,31 0.4,32 2,33 6,34 6,35 18.234,36 10.987,37 89.761,38 118.662,39 4.158,40 4.59,41 6.41,42 7.383,43 8.941,44 10.082,45 11.545,46 12.767,47 14.181,48 15.451,49 16.836,50 18.134,51 19.502,52 20.818,53 27.627,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.428,60 -10.607,61 980.379,62 1.729,63 0.265,64 6.092}
{0 CHEMBL526564,1 0.86,2 0.293,3 12,4 6.623,5 8.8,6 -4.822,7 4.48,8 321.987,9 0.764,10 8.557,11 3.057,12 6,13 1.149,14 85.42,15 3.409,16 572.208,17 0.938,18 0.688,19 79.472,20 6.699,21 1.36,22 2.836,23 2,24 108.68,25 3.825,26 4.362,27 2.95,28 6,29 0.404,30 0.228,31 0.258,32 2,33 6,34 6,35 20.035,36 12.678,37 89.761,38 118.662,39 4.283,40 4.672,41 6.469,42 7.419,43 8.964,44 10.097,45 11.554,46 12.773,47 14.185,48 15.453,49 16.837,50 18.135,51 19.502,52 20.818,53 32.309,54 8.519,55 8.507,56 7.999,57 7.999,58 7.999,59 7.474,60 -10.738,61 1076.26,62 1.92,63 0.416,64 8.745}
{0 CHEMBL538164,1 0.555,2 0.293,3 8,4 2.43,6 3.082,7 3.78,8 55.611,9 0.911,10 8.02,11 2.52,13 1.122,15 0.769,16 90.915,17 1.278,18 1.022,19 11.825,20 5.926,21 0.809,22 1.314,24 46.706,25 2.612,26 3.683,27 1.94,29 0.136,30 0.015,31 -0.046,35 12.267,36 5.29,38 41.53,39 3.741,40 2.727,41 5.478,42 4.731,43 7.478,44 6.682,45 9.555,46 8.618,47 11.665,48 10.547,49 13.792,50 12.473,51 15.929,52 14.398,53 22.542,54 7.815,55 7.431,56 6.999,57 4.947,58 4.697,59 4.322,61 616.209,62 0.576,63 0.194,64 6.857}
{0 CHEMBL564629,3 7,4 3.115,7 4.218,8 58.067,9 1.286,10 8.009,11 2.509,13 1.133,15 1.382,16 300.304,17 1.22,18 1.014,19 29.051,20 6.038,21 1.093,22 1.96,24 78.824,25 2.26,26 4.098,27 2.178,29 0.031,30 -0.028,31 -0.026,35 14.334,36 7.035,38 3.186,39 3.316,40 3.043,41 4.616,42 4.964,43 6.108,44 6.706,45 7.677,46 8.389,47 9.282,48 10.049,49 10.905,50 11.699,51 12.538,52 13.346,53 16.135,54 7.431,55 7.425,56 6.46,57 6.447,58 6.442,59 6.432,60 -6.025,61 521.805,62 0.164,63 0.093,64 4.301}