@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1870

@attribute molecule_id {CHEMBL101308,CHEMBL1023,CHEMBL109581,CHEMBL109847,CHEMBL111217,CHEMBL111589,CHEMBL111911,CHEMBL111983,CHEMBL112715,CHEMBL113975,CHEMBL114319,CHEMBL114390,CHEMBL114880,CHEMBL115050,CHEMBL115164,CHEMBL115763,CHEMBL116859,CHEMBL116886,CHEMBL118268,CHEMBL118307,CHEMBL118693,CHEMBL119781,CHEMBL130231,CHEMBL130232,CHEMBL130374,CHEMBL131122,CHEMBL131826,CHEMBL132568,CHEMBL133896,CHEMBL133915,CHEMBL134834,CHEMBL157333,CHEMBL162005,CHEMBL162334,CHEMBL162827,CHEMBL162876,CHEMBL163625,CHEMBL164557,CHEMBL164902,CHEMBL165734,CHEMBL166201,CHEMBL166244,CHEMBL204725,CHEMBL204773,CHEMBL204789,CHEMBL205532,CHEMBL205600,CHEMBL205634,CHEMBL205694,CHEMBL205894,CHEMBL206005,CHEMBL208213,CHEMBL208316,CHEMBL208503,CHEMBL208529,CHEMBL2110180,CHEMBL2110181,CHEMBL2110182,CHEMBL2111534,CHEMBL2111535,CHEMBL2303693,CHEMBL24966,CHEMBL265051,CHEMBL275311,CHEMBL284937,CHEMBL288436,CHEMBL290246,CHEMBL290761,CHEMBL291034,CHEMBL298373,CHEMBL308377,CHEMBL308883,CHEMBL324960,CHEMBL32505,CHEMBL326525,CHEMBL326766,CHEMBL328481,CHEMBL329802,CHEMBL334330,CHEMBL334534,CHEMBL335242,CHEMBL337393,CHEMBL337859,CHEMBL347411,CHEMBL348794,CHEMBL348797,CHEMBL351943,CHEMBL377178,CHEMBL378553,CHEMBL378926,CHEMBL379057,CHEMBL38,CHEMBL39206,CHEMBL41146,CHEMBL41260,CHEMBL41422,CHEMBL414233,CHEMBL41676,CHEMBL41742,CHEMBL41890,CHEMBL422088,CHEMBL42314,CHEMBL423465,CHEMBL424269,CHEMBL424636,CHEMBL424639,CHEMBL427391,CHEMBL43238,CHEMBL433178,CHEMBL44420,CHEMBL471967,CHEMBL471968,CHEMBL474610,CHEMBL480548,CHEMBL512528,CHEMBL515426,CHEMBL521442,CHEMBL69091,CHEMBL705,CHEMBL7301,CHEMBL75133,CHEMBL82248,CHEMBL89241,CHEMBL91718,CHEMBL92284,CHEMBL92394,CHEMBL93518,CHEMBL93538,CHEMBL93577,CHEMBL93628,CHEMBL93848,CHEMBL96184,CHEMBL98172}
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_DL numeric
@attribute SpMin2_Bh.p. numeric
@attribute nArOR numeric
@attribute MATS3i numeric
@attribute MATS3p numeric
@attribute GATS3i numeric
@attribute GATS4i numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute GATS4s numeric
@attribute MATS7e numeric
@attribute LOC numeric
@attribute SpMin2_Bh.v. numeric
@attribute SdO numeric
@attribute SssCH2 numeric
@attribute CATS2D_08_NL numeric
@attribute SpMAD_EA.ri. numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute GATS7v numeric
@attribute MATS7v numeric
@attribute nR06 numeric
@attribute Rperim numeric
@attribute TRS numeric
@attribute ATSC8m numeric
@attribute SpMin1_Bh.s. numeric
@attribute F.082 numeric
@attribute P_VSA_MR_4 numeric
@attribute MCD numeric
@attribute Vindex numeric
@attribute O.060 numeric
@attribute MATS7p numeric
@attribute Xindex numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_EA.ri. numeric
@attribute Yindex numeric
@attribute GATS7i numeric
@attribute SM10_EA.ri. numeric
@attribute nF numeric
@attribute NsF numeric
@attribute P_VSA_e_6 numeric
@attribute SpMax1_Bh.s. numeric
@attribute SsF numeric
@attribute D.Dtr06 numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax3_Bh.s. numeric
@attribute ATSC7i numeric
@attribute ATSC8i numeric
@attribute X. numeric
@attribute C.002 numeric
@attribute GGI5 numeric
@attribute ATSC4v numeric
@attribute nR.Cs numeric
@attribute nX numeric
@attribute AECC numeric
@attribute O.058 numeric
@attribute SM06_EA.ri. numeric
@attribute RBF numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.p. numeric
@attribute pXC50 numeric

@data
{1 2,3 2,4 1.996,6 -0.243,7 -0.243,8 1.283,9 1.013,10 1.911,11 1.892,12 0.814,13 0.238,14 0.886,15 2.001,16 23.798,17 2.231,18 2,19 1.572,20 2,21 2,22 0.603,23 0.356,24 3,25 16,26 18,27 16.771,28 1.5,31 0.64,32 0.242,34 0.343,35 0.374,36 10.795,37 11.965,38 0.68,39 0.596,40 13.208,44 7.475,46 207.724,47 7.427,48 6.351,49 1.135,50 0.803,52 2,53 1.097,54 21.327,57 9.6,58 2,59 8.461,60 0.059,61 3.625,62 3.53,63 5.495}
{0 CHEMBL1023,1 3,3 3,4 1.999,6 -0.191,7 -0.195,8 1.253,9 1.056,10 1.921,11 1.9,12 0.648,13 0.103,14 0.885,15 2.009,16 11.077,17 2.374,18 3,19 1.561,20 2,21 2,22 0.871,23 0.11,24 3,25 16,26 18,27 28.793,28 1.507,31 0.615,32 0.249,34 0.068,35 0.382,36 10.825,37 11.995,38 0.711,39 0.887,40 13.238,44 7.475,46 215.782,47 6.351,48 4.874,49 1.7,50 1.346,52 2,53 1.403,54 24.836,57 9.577,58 1,59 8.494,60 0.054,61 3.666,62 3.586,63 7.62}
{0 CHEMBL109581,1 1,2 1,3 1,4 1.916,5 1,6 -0.119,7 -0.125,8 1.233,9 1.045,10 1.81,11 1.778,12 0.439,13 -0.086,14 2.16,15 1.933,16 10.781,17 4.002,18 1,19 1.481,20 2,21 2,22 1.116,23 -0.111,24 2,25 10,26 12,27 44.697,28 1.503,31 0.345,32 0.287,33 1,34 -0.076,35 0.446,36 10.724,37 11.902,38 0.805,39 1.071,40 13.15,44 7.476,46 165.049,47 6.351,48 4.852,49 2.034,50 2.095,52 3,53 1.549,54 26.36,55 4,57 10.69,58 1,59 8.389,60 0.106,61 3.691,62 3.584,63 7.886}
{0 CHEMBL109847,1 1,2 1,3 1,4 1.915,5 1,6 -0.103,7 -0.114,8 1.221,9 1.099,10 1.809,11 1.778,12 0.399,13 -0.087,14 2.1,15 1.932,16 10.752,17 2.964,18 1,19 1.485,20 2,21 2,22 1.119,23 -0.123,24 2,25 10,26 12,27 41.622,28 1.503,31 0.357,32 0.288,33 1,34 -0.088,35 0.447,36 10.723,37 11.902,38 0.804,39 1.07,40 13.15,44 7.476,46 157.586,47 6.351,48 4.855,49 1.901,50 1.918,52 2,53 1.549,54 25.619,55 4,57 10.607,58 1,59 8.386,60 0.095,61 3.685,62 3.582,63 7.921}
{0 CHEMBL111217,1 1,2 1,3 1,4 1.899,5 1,6 -0.024,7 -0.189,8 1.068,9 0.793,10 1.782,11 1.753,12 0.49,13 0.011,14 2.216,15 1.909,16 10.75,17 -0.795,18 1,19 1.466,22 1.398,23 -0.393,24 1,25 6,26 6,27 82.585,28 1.361,29 2,30 8.115,31 0.194,32 0.427,33 1,34 -0.413,35 0.653,36 10.61,37 11.752,38 1.23,39 1.431,40 12.96,41 3,42 3,43 44.88,44 8.362,45 40.922,46 124.273,47 8.201,48 7.999,49 3.463,50 3.452,51 4.7,53 2.59,54 23.868,55 4,56 3,57 10.548,58 1,59 8.334,60 0.125,61 3.689,62 3.584,63 7.939}
{0 CHEMBL111589,1 1,2 1,3 1,4 1.914,5 1,6 -0.177,7 -0.186,8 1.309,9 1.101,10 1.809,11 1.778,12 0.39,13 -0.083,14 2.039,15 1.931,16 10.719,17 2.336,18 1,19 1.498,20 2,21 2,22 1.081,23 -0.101,24 2,25 10,26 12,27 36.222,28 1.503,31 0.37,32 0.286,33 1,34 -0.068,35 0.445,36 10.722,37 11.901,38 0.792,39 1.029,40 13.15,44 7.476,46 150.542,47 6.351,48 4.867,49 1.723,50 1.637,52 2,53 1.465,54 25.175,55 4,57 10.556,58 1,59 8.384,60 0.083,61 3.681,62 3.581,63 8.398}
{0 CHEMBL111911,1 3,3 3,4 1.901,6 -0.122,7 -0.133,8 1.248,9 1.105,10 1.779,11 1.752,12 0.417,13 0.198,14 1.547,15 1.909,16 10.93,17 3.332,18 3,19 1.527,20 2,21 3,22 0.849,23 0.094,24 2,25 15,26 17,27 41.282,28 1.508,31 0.536,32 0.257,34 0.099,35 0.39,36 11.064,37 12.274,38 0.749,39 0.823,40 13.536,44 7.476,46 150.033,47 6.351,48 4.923,49 2.009,50 1.717,52 2,53 1.576,54 25.763,55 3,57 9.464,58 1,59 8.66,60 0.065,61 3.687,62 3.569,63 7.328}
{0 CHEMBL111983,1 2,3 2,4 1.838,6 -0.215,7 -0.219,8 1.257,9 1.028,10 1.746,11 1.715,12 0.519,13 0.053,14 0.898,15 1.866,16 11.169,17 2.365,18 2,19 1.536,20 2,21 2,22 0.842,23 0.127,24 2,25 15,26 17,27 35.886,28 1.507,31 0.6,32 0.261,34 0.14,35 0.396,36 10.769,37 11.949,38 0.758,39 0.829,40 13.193,44 7.475,46 125.812,47 6.351,48 4.855,49 1.666,50 1.325,52 2,53 1.288,54 23.668,57 8.84,58 1,59 8.428,60 0.057,61 3.652,62 3.578,63 7.481}
{0 CHEMBL112715,1 2,3 2,4 1.997,6 -0.164,7 -0.164,8 1.233,9 1.023,10 1.91,11 1.891,12 0.697,13 0.227,14 0.82,15 2.001,16 11.214,17 3.318,18 2,19 1.553,20 2,21 3,22 0.637,23 0.304,24 3,25 21,26 23,27 30.192,28 1.503,31 0.75,32 0.222,34 0.318,35 0.336,36 11.152,37 12.368,38 0.647,39 0.615,40 13.639,44 7.475,46 231.222,47 6.351,48 4.939,49 1.579,50 1.387,52 2,53 1.382,54 23.868,57 9.393,58 1,59 8.73,60 0.051,61 3.691,62 3.55,63 6.745}
{0 CHEMBL113975,1 2,3 2,4 1.991,6 -0.137,7 -0.118,8 1.179,9 1.015,10 1.911,11 1.893,12 0.665,13 0.226,14 0.82,15 1.998,16 11.24,17 3.98,18 2,19 1.52,20 2,21 3,22 0.738,23 0.265,24 3,25 21,26 23,27 35.601,28 1.504,31 0.75,32 0.222,34 0.172,35 0.336,36 10.933,37 12.115,38 0.647,39 0.783,40 13.361,44 7.475,46 231.222,47 6.351,48 4.836,49 1.753,50 1.471,52 2,53 1.382,54 25.229,57 9.393,58 1,59 8.575,60 0.051,61 3.679,62 3.602,63 6.745}
{0 CHEMBL114319,1 2,3 2,4 2.015,6 -0.206,7 -0.21,8 1.296,9 1.092,10 1.933,11 1.909,12 0.616,13 0.083,14 0.885,15 2.03,16 11.125,17 2.413,18 2,19 1.582,20 2,21 2,22 0.999,23 -0.009,24 3,25 16,26 18,27 35.392,28 1.508,31 0.615,32 0.251,34 -0.055,35 0.384,36 11.08,37 12.287,38 0.717,39 1.041,40 13.547,44 7.475,46 218.454,47 6.351,48 4.789,49 1.603,50 1.591,52 2,53 1.444,54 27.433,57 9.5,58 1,59 8.675,60 0.052,61 3.665,62 3.577,63 6.301}
{0 CHEMBL114390,1 2,3 2,4 2,6 -0.254,7 -0.259,8 1.31,9 1.016,10 1.916,11 1.893,12 0.612,13 0.065,14 0.882,15 2.011,16 10.963,17 3.274,18 2,19 1.545,20 2,21 2,22 0.598,23 0.36,24 3,25 16,26 18,27 17.821,28 1.505,31 0.667,32 0.234,34 0.343,35 0.364,36 10.699,37 11.87,38 0.646,39 0.584,40 13.12,44 7.475,46 196.993,47 6.351,48 4.775,49 1.234,50 0.878,52 3,53 0.806,54 22.936,57 9.708,58 1,59 8.368,60 0.058,61 3.619,62 3.531,63 5.569}
{0 CHEMBL114880,1 2,3 2,4 1.826,6 -0.268,7 -0.278,8 1.307,9 0.998,10 1.71,11 1.682,12 0.663,13 0.015,14 0.898,15 1.845,16 24.066,17 2.221,18 2,19 1.545,20 2,21 2,22 0.726,23 0.247,24 2,25 15,26 17,27 31.965,28 1.506,31 0.6,32 0.261,34 0.241,35 0.396,36 10.79,37 11.97,38 0.758,39 0.715,40 13.213,44 7.475,46 125.812,47 7.427,48 6.351,49 1.521,50 1.085,52 2,53 1.288,54 21.74,57 8.84,58 2,59 8.447,60 0.059,61 3.647,62 3.564,63 6}
{0 CHEMBL115050,1 2,3 2,4 2.003,6 -0.155,7 -0.158,8 1.209,9 1.047,10 1.925,11 1.903,12 0.64,13 0.121,14 0.975,15 2.014,16 11.1,17 2.397,18 2,19 1.541,20 2,21 2,22 0.748,23 0.241,24 3,25 16,26 18,27 25.203,28 1.502,31 0.615,32 0.246,34 0.196,35 0.378,36 10.787,37 11.955,38 0.7,39 0.775,40 13.2,44 7.475,46 219.197,47 6.351,48 4.811,49 1.447,50 1.245,52 2,53 1.153,54 24.059,55 1,57 9.538,58 1,59 8.457,60 0.054,61 3.654,62 3.572,63 6.796}
{0 CHEMBL115164,1 3,3 3,4 1.932,6 -0.177,7 -0.187,8 1.313,9 1.04,10 1.833,11 1.802,12 0.359,13 0.083,14 1.866,15 1.953,16 10.883,17 2.399,18 3,19 1.54,20 2,21 2,22 0.903,23 0.069,24 2,25 10,26 12,27 39.513,28 1.509,31 0.37,32 0.309,34 0.04,35 0.473,36 10.784,37 11.961,38 0.889,39 0.918,40 13.206,44 7.476,46 148.953,47 6.351,48 4.775,49 2.116,50 1.862,52 2,53 1.458,54 27.504,55 3,57 9.556,58 1,59 8.447,60 0.065,61 3.683,62 3.585,63 6.854}
{0 CHEMBL115763,1 2,3 2,4 2.007,6 -0.192,7 -0.195,8 1.26,9 1.082,10 1.924,11 1.901,12 0.627,13 0.074,14 0.886,15 2.02,16 11.045,17 2.427,18 2,19 1.563,20 2,21 2,22 0.82,23 0.153,24 3,25 16,26 18,27 26.728,28 1.507,31 0.64,32 0.242,34 0.12,35 0.374,36 10.773,37 11.942,38 0.68,39 0.836,40 13.186,44 7.475,46 207.724,47 6.351,48 4.78,49 1.416,50 1.239,52 2,53 1.097,54 24.66,57 9.6,58 1,59 8.441,60 0.055,61 3.641,62 3.552,63 6.301}
{0 CHEMBL116859,1 2,3 2,4 1.983,5 1,6 -0.219,7 -0.225,8 1.267,9 1.019,10 1.886,11 1.869,12 0.667,13 -0.034,14 0.882,15 1.984,16 10.923,17 2.341,18 2,19 1.521,20 2,21 2,22 0.494,23 0.474,24 3,25 16,26 18,27 13.616,28 1.497,31 0.667,32 0.234,33 1,34 0.489,35 0.364,36 10.667,37 11.845,38 0.646,39 0.438,40 13.096,44 7.475,46 196.993,47 6.351,48 4.921,49 0.98,50 0.73,52 2,53 0.806,54 20.358,57 9.708,58 1,59 8.327,60 0.06,61 3.592,62 3.488,63 5.721}
{0 CHEMBL116886,1 3,3 3,4 1.948,6 -0.207,7 -0.175,8 1.27,9 1.013,10 1.831,11 1.809,12 0.6,13 0.115,14 0.886,15 1.943,16 10.971,17 2.392,18 3,19 1.51,20 2,21 2,22 0.828,23 0.189,24 3,25 16,26 18,27 21.381,28 1.505,31 0.64,32 0.241,34 0.039,35 0.373,36 10.69,37 11.87,38 0.676,39 0.908,40 13.118,44 7.475,46 205.051,47 6.351,48 4.847,49 1.476,50 1.033,52 2,53 1.111,54 22.432,57 9.68,58 1,59 8.351,60 0.058,61 3.632,62 3.564,63 7.244}
{0 CHEMBL118268,1 2,3 2,4 1.769,6 -0.222,7 -0.191,8 1.231,9 0.968,10 1.662,11 1.626,12 0.458,13 0.139,14 0.901,15 1.805,16 11.043,17 2.383,18 2,19 1.484,20 2,21 2,22 0.791,23 0.225,24 2,25 15,26 17,27 29.556,28 1.504,31 0.625,32 0.253,34 0.102,35 0.387,36 10.652,37 11.842,38 0.723,39 0.883,40 13.092,44 7.475,46 119.272,47 6.351,48 4.807,49 1.434,50 1.038,52 2,53 0.948,54 21.6,57 8.917,58 1,59 8.297,60 0.061,61 3.626,62 3.558,63 5.886}
{0 CHEMBL118307,1 3,3 3,4 2.009,6 -0.226,7 -0.194,8 1.309,9 1.066,10 1.94,11 1.93,12 0.859,13 0.19,14 0.881,15 2.037,16 37.523,17 2.068,18 3,19 1.535,20 2,21 2,22 0.788,23 0.173,24 3,25 16,26 18,27 28.284,28 1.514,31 0.593,32 0.258,34 0.099,35 0.393,36 10.818,37 11.991,38 0.748,39 0.774,40 13.23,44 7.715,46 226.512,47 7.475,48 6.999,49 1.742,50 1.167,52 2,53 1.75,54 23.853,57 9.481,58 3,59 8.486,60 0.055,61 3.733,62 3.666,63 5.585}
{0 CHEMBL118693,1 3,3 3,4 1.963,6 -0.205,7 -0.179,8 1.26,9 1.044,10 1.891,11 1.874,12 0.642,13 0.094,14 0.886,15 1.975,16 11.011,17 2.42,18 3,19 1.52,20 2,21 2,22 0.802,23 0.206,24 3,25 16,26 18,27 21.223,28 1.505,31 0.64,32 0.241,34 0.079,35 0.373,36 10.698,37 11.875,38 0.676,39 0.826,40 13.124,44 7.475,46 205.051,47 6.351,48 4.756,49 1.544,50 1.023,52 2,53 1.111,54 23.264,57 9.68,58 1,59 8.362,60 0.057,61 3.632,62 3.566,63 6.523}
{0 CHEMBL119781,1 2,3 2,4 1.963,6 -0.226,7 -0.215,8 1.264,9 1.002,10 1.891,11 1.874,12 0.638,13 0.104,14 0.882,15 1.975,16 10.957,17 2.421,18 2,19 1.509,20 2,21 2,22 0.684,23 0.352,24 3,25 16,26 18,27 13.037,28 1.499,31 0.667,32 0.234,34 0.159,35 0.364,36 10.656,37 11.836,38 0.646,39 0.739,40 13.089,44 7.475,46 196.993,47 6.351,48 4.762,49 1.104,50 0.713,52 2,53 0.806,54 21.483,57 9.708,58 1,59 8.312,60 0.06,61 3.584,62 3.525,63 5.796}
{0 CHEMBL130231,1 1,2 1,3 1,4 1.903,5 1,6 0.038,7 -0.056,8 0.989,9 0.907,10 1.786,11 1.757,12 0.504,13 0.014,14 2.277,15 1.934,16 10.807,17 0.777,18 1,19 1.438,22 1.39,23 -0.36,24 1,25 6,26 6,27 89.947,28 1.405,29 2,30 8.115,31 0.182,32 0.435,33 1,34 -0.377,35 0.664,36 10.71,37 11.867,38 1.261,39 1.442,40 13.089,41 3,42 3,43 44.88,44 8.362,45 41.359,46 133.13,47 8.201,48 7.999,49 3.802,50 4.114,51 4.3,52 2,53 2.646,54 26.74,55 4,56 3,57 10.697,58 1,59 8.407,60 0.143,61 3.732,62 3.632,63 8.284}
{0 CHEMBL130232,1 1,2 1,3 1,4 1.927,5 1,6 0.106,7 0.016,8 0.854,9 0.787,10 1.831,11 1.805,12 0.413,13 -0.023,14 2.116,15 1.936,16 10.767,17 -0.74,18 1,19 1.423,22 1.143,23 -0.131,24 2,25 12,26 12,27 55.725,28 1.311,29 2,30 8.115,31 0.375,32 0.284,33 1,34 -0.177,35 0.44,36 9.808,37 10.76,38 0.803,39 1.14,40 11.916,41 3,42 3,43 44.88,44 8.362,45 39.665,46 241.767,47 8.201,48 7.999,49 2.739,50 2.737,51 5.1,53 1.785,54 17.641,55 4,56 3,57 11.188,58 1,59 7.807,60 0.133,61 3.771,62 3.685,63 8.131}
{0 CHEMBL130374,1 1,2 1,3 1,4 1.889,5 1,6 0.12,7 -0.002,8 0.822,9 0.772,10 1.777,11 1.747,12 0.347,13 -0.049,14 2.179,15 1.904,16 10.749,17 -0.672,18 1,19 1.401,22 1.194,23 -0.174,24 1,25 11,26 11,27 54.207,28 1.3,29 2,30 8.115,31 0.367,32 0.284,33 1,34 -0.232,35 0.439,36 9.678,37 10.638,38 0.801,39 1.265,40 11.785,41 2,42 2,43 29.92,44 8.362,45 25.762,46 115.603,47 7.999,48 7.476,49 2.591,50 2.484,51 3.6,53 1.666,54 16.77,55 4,56 2,57 10.7,58 1,59 7.682,60 0.14,61 3.75,62 3.686,63 8.409}
{0 CHEMBL131122,1 1,2 1,3 1,4 1.891,5 1,6 0.263,7 0.005,8 0.753,9 0.876,10 1.776,11 1.746,12 0.553,13 -0.301,14 2.291,15 1.904,16 10.682,17 0.392,18 1,19 1.411,22 1.192,23 -0.249,24 1,25 6,26 6,27 59.842,28 1.299,29 2,30 1.824,31 0.194,32 0.422,33 1,34 -0.139,35 0.648,36 10.129,37 11.197,38 1.207,39 1.404,40 12.374,41 5,42 5,43 74.801,44 8.531,45 68.422,46 124.329,47 8.336,48 7.999,49 3.261,50 2.557,51 8.6,52 1,53 2.347,54 16.417,55 4,56 5,57 10.742,58 1,59 7.982,60 0.155,61 3.627,62 3.482,63 8.004}
{0 CHEMBL131826,1 1,2 1,3 1,4 1.893,5 1,6 -0.062,7 -0.031,8 1.122,9 1.119,10 1.776,11 1.747,12 0.872,13 0.081,14 2.392,15 1.904,16 10.75,17 2.556,18 1,19 1.426,22 1.226,23 -0.223,24 1,25 6,26 6,27 56.103,28 1.34,31 0.207,32 0.406,33 1,34 -0.207,35 0.626,36 9.751,37 10.732,38 1.151,39 1.304,40 11.876,41 1,42 1,43 14.96,44 8.201,45 14.977,46 116.037,47 7.476,48 6.351,49 2.634,50 2.553,51 1.6,52 2,53 1.743,54 20.359,55 4,56 1,57 10.828,58 1,59 7.727,60 0.156,61 3.665,62 3.518,63 7.613}
{0 CHEMBL132568,1 1,2 1,3 1,4 1.891,5 1,6 0.263,7 0.005,8 0.753,9 0.876,10 1.777,11 1.746,12 0.589,13 -0.04,14 2.291,15 1.905,16 10.682,17 0.893,18 1,19 1.411,22 1.157,23 -0.168,24 1,25 6,26 6,27 60.228,28 1.301,29 2,30 1.824,31 0.194,32 0.416,33 1,34 -0.146,35 0.64,36 10.124,37 11.186,38 1.184,39 1.174,40 12.357,41 5,42 5,43 74.801,44 8.531,45 67.368,46 124.329,47 8.336,48 7.999,49 2.978,50 2.525,51 8.6,52 1,53 2.194,54 16.253,55 4,56 5,57 10.742,58 1,59 7.982,60 0.155,61 3.638,62 3.479,63 7.764}
{0 CHEMBL133896,1 1,2 1,3 1,4 1.891,5 1,6 0.291,7 0.032,8 0.742,9 0.911,10 1.776,11 1.746,12 0.588,13 -0.041,14 2.23,15 1.904,16 10.653,17 0.2,18 1,19 1.411,22 1.118,23 -0.134,24 1,25 6,26 6,27 56.441,28 1.299,29 2,30 1.824,31 0.2,32 0.416,33 1,34 -0.132,35 0.64,36 10.122,37 11.186,38 1.18,39 1.163,40 12.356,41 5,42 5,43 74.801,44 8.531,45 67.072,46 119.718,47 8.336,48 7.999,49 2.77,50 2.273,51 9.1,53 2.194,54 15.314,55 4,56 5,57 10.667,58 1,59 7.977,60 0.145,61 3.629,62 3.479,63 8.071}
{0 CHEMBL133915,1 1,2 1,3 1,4 1.927,5 1,6 0.106,7 0.016,8 0.854,9 0.762,10 1.831,11 1.805,12 0.429,13 -0.042,14 2.116,15 1.936,16 10.767,17 -0.73,18 1,19 1.42,22 1.157,23 -0.148,24 2,25 12,26 12,27 55.058,28 1.311,29 2,30 8.115,31 0.375,32 0.282,33 1,34 -0.174,35 0.437,36 9.803,37 10.753,38 0.793,39 1.137,40 11.909,41 3,42 3,43 44.88,44 8.362,45 39.239,46 242.969,47 8.201,48 7.999,49 2.744,50 2.641,51 5.1,53 1.896,54 17.641,55 4,56 3,57 11.563,58 1,59 7.805,60 0.133,61 3.771,62 3.685,63 8.409}
{0 CHEMBL134834,1 5,3 5,4 2.02,6 -0.213,7 -0.18,8 1.245,9 0.982,10 1.938,11 1.915,12 0.675,13 0.143,14 0.765,15 2.025,16 11.368,17 3.182,18 5,19 1.547,20 2,21 3,22 0.843,23 0.156,24 4,25 25,26 31,27 39.217,28 1.51,31 0.781,32 0.198,34 0.15,35 0.298,36 10.925,37 12.072,38 0.59,39 0.825,40 13.314,44 7.475,46 233.598,47 6.351,48 4.928,49 2.346,50 2.034,52 3,53 1.611,54 27.223,57 9.563,58 1,59 8.628,60 0.031,61 3.873,62 3.817,63 6.102}
{0 CHEMBL157333,1 2,3 2,4 1.995,6 -0.146,7 -0.155,8 1.197,9 1.088,10 1.913,11 1.881,12 0.385,13 0.009,14 1.609,15 2.014,16 10.731,17 3.68,18 2,19 1.467,20 1,21 3,22 1.23,23 -0.184,24 2,25 12,26 12,27 28.912,28 1.462,31 0.48,32 0.266,34 -0.201,35 0.419,36 10.199,37 11.308,38 0.726,39 1.262,40 12.532,44 7.476,46 176.846,47 6.351,48 4.808,49 1.192,50 1.393,52 3,53 0.771,54 20.442,55 5,57 10.28,58 1,59 7.973,60 0.093,61 3.717,62 3.62,63 7.276}
{0 CHEMBL162005,1 3,3 3,4 1.999,6 -0.142,7 -0.12,8 1.244,9 1.068,10 1.912,11 1.891,12 0.72,13 0.135,14 1.558,15 2.004,16 11.288,17 4.861,18 3,19 1.503,20 2,21 2,22 0.896,23 0.086,24 3,25 16,26 18,27 44.221,28 1.507,31 0.516,32 0.244,33 1,34 0.049,35 0.372,36 10.83,37 11.995,38 0.703,39 0.924,40 13.24,44 7.475,46 278.241,47 6.351,48 4.966,49 2.232,50 2.014,52 4,53 1.514,54 25.992,57 9.645,58 1,59 8.509,60 0.103,61 3.686,62 3.572,63 6.676}
{0 CHEMBL162334,1 3,3 3,4 1.997,6 -0.232,7 -0.218,8 1.324,9 1.093,10 1.912,11 1.891,12 0.609,13 0.172,14 0.974,15 2.002,16 11.089,17 2.248,18 3,19 1.543,20 2,21 2,22 0.75,23 0.218,24 3,25 16,26 18,27 29.89,28 1.507,31 0.593,32 0.253,33 1,34 0.149,35 0.386,36 10.826,37 11.994,38 0.731,39 0.793,40 13.238,44 7.475,46 227.255,47 6.543,48 6.351,49 1.736,50 1.296,52 2,53 1.458,54 23.479,57 9.519,58 1,59 8.496,60 0.054,61 3.661,62 3.571,63 7.854}
{0 CHEMBL162827,1 3,3 3,4 2.001,6 -0.262,7 -0.221,8 1.381,9 0.921,10 1.913,11 1.892,12 0.684,13 0.112,14 1.261,15 2.005,16 11.301,17 2.296,18 3,19 1.544,20 2,21 2,22 0.992,23 0.003,24 3,25 16,26 18,27 50.4,28 1.507,31 0.516,32 0.252,33 1,34 -0.025,35 0.383,36 10.928,37 12.086,38 0.736,39 1.009,40 13.317,44 7.475,46 277.045,47 6.351,48 4.977,49 2.428,50 2.279,52 2,53 1.903,54 27.412,57 9.548,58 1,59 8.619,60 0.074,61 3.716,62 3.577,63 4}
{0 CHEMBL162876,1 3,3 6,4 1.999,6 -0.094,7 -0.118,8 1.209,9 1.024,10 1.912,11 1.891,12 0.657,13 0.14,14 1.423,15 2.003,16 11.241,17 2.973,18 3,19 1.507,20 2,21 2,22 0.905,23 0.081,24 3,25 16,26 18,27 42.842,28 1.507,31 0.533,32 0.249,33 1,34 0.024,35 0.379,36 10.829,37 11.995,38 0.722,39 0.963,40 13.239,44 7.475,46 264.892,47 6.351,48 5.052,49 2.16,50 1.903,52 2,53 1.514,54 24.59,57 9.567,58 1,59 8.504,60 0.094,61 3.667,62 3.571,63 6}
{0 CHEMBL163625,1 2,3 2,4 1.997,6 -0.245,7 -0.229,8 1.317,9 1.064,10 1.912,11 1.891,12 0.61,13 0.185,14 0.975,15 2.002,16 11.035,17 2.249,18 2,19 1.535,20 2,21 2,22 0.632,23 0.33,24 3,25 16,26 18,27 22.137,28 1.501,31 0.615,32 0.246,33 1,34 0.25,35 0.378,36 10.774,37 11.942,38 0.7,39 0.721,40 13.186,44 7.475,46 219.197,47 6.543,48 6.351,49 1.305,50 1.036,52 2,53 1.153,54 21.852,57 9.538,58 1,59 8.444,60 0.057,61 3.627,62 3.532,63 4}
{0 CHEMBL164557,1 2,3 2,4 1.998,6 -0.186,7 -0.195,8 1.289,9 1.064,10 1.912,11 1.891,12 0.653,13 0.175,14 1.135,15 2.003,16 11.116,17 2.308,18 2,19 1.528,20 2,21 2,22 0.7,23 0.266,24 3,25 16,26 18,27 26.243,28 1.501,31 0.593,32 0.247,33 1,34 0.198,35 0.378,36 10.776,37 11.943,38 0.707,39 0.764,40 13.188,44 7.475,46 231.271,47 6.351,48 4.987,49 1.534,50 1.217,52 2,53 1.153,54 22.268,57 9.519,58 1,59 8.448,60 0.071,61 3.631,62 3.533,63 6.562}
{0 CHEMBL164902,1 6,3 3,4 1.998,6 -0.165,7 -0.208,8 1.251,9 1.036,10 1.912,11 1.891,12 0.526,13 0.156,14 1.423,15 2.003,16 11.219,17 2.077,18 3,19 1.507,20 2,21 2,22 0.827,23 0.17,24 3,25 16,26 18,27 37.882,28 1.507,31 0.533,32 0.249,33 1,34 0.103,35 0.379,36 10.829,37 11.995,38 0.722,39 0.883,40 13.239,44 7.475,46 264.892,47 6.819,48 6.351,49 2.1,50 1.721,52 2,53 1.514,54 23.952,57 9.567,58 1,59 8.504,60 0.083,61 3.666,62 3.571,63 7.728}
{0 CHEMBL165734,1 3,3 3,4 1.999,6 -0.154,7 -0.133,8 1.259,9 1.052,10 1.912,11 1.891,12 0.723,13 0.135,14 1.423,15 2.004,16 11.255,17 3.725,18 3,19 1.51,20 2,21 2,22 0.898,23 0.082,24 3,25 16,26 18,27 42.985,28 1.507,31 0.533,32 0.249,33 1,34 0.042,35 0.379,36 10.829,37 11.995,38 0.722,39 0.923,40 13.239,44 7.475,46 264.892,47 6.351,48 4.967,49 2.198,50 1.937,52 3,53 1.514,54 24.888,57 9.567,58 1,59 8.505,60 0.092,61 3.67,62 3.572,63 7.324}
{0 CHEMBL166201,1 3,3 3,4 1.998,6 -0.142,7 -0.125,8 1.249,9 1.077,10 1.912,11 1.891,12 0.692,13 0.137,14 1.281,15 2.003,16 11.216,17 2.78,18 3,19 1.517,20 2,21 2,22 0.904,23 0.073,24 3,25 16,26 18,27 40.564,28 1.507,31 0.552,32 0.253,33 1,34 0.028,35 0.384,36 10.828,37 11.995,38 0.734,39 0.926,40 13.239,44 7.475,46 251.901,47 6.351,48 4.969,49 2.125,50 1.785,52 2,53 1.514,54 24.09,57 9.517,58 1,59 8.502,60 0.081,61 3.665,62 3.571,63 7.579}
{0 CHEMBL166244,1 3,3 3,4 1.998,6 -0.203,7 -0.187,8 1.299,9 1.06,10 1.912,11 1.891,12 0.676,13 0.142,14 1.423,15 2.003,16 11.244,17 2.591,18 3,19 1.51,20 2,21 2,22 0.86,23 0.122,24 3,25 16,26 18,27 40.568,28 1.507,31 0.533,32 0.249,33 1,34 0.078,35 0.379,36 10.829,37 11.995,38 0.722,39 0.884,40 13.239,44 7.475,46 264.892,47 6.351,48 4.989,49 2.166,50 1.842,52 2,53 1.514,54 24.59,55 1,57 9.567,58 1,59 8.505,60 0.095,61 3.668,62 3.572,63 7.785}
{0 CHEMBL204725,1 3,3 3,4 1.924,6 -0.168,7 -0.164,8 1.317,9 1.06,10 1.784,11 1.746,12 0.39,13 0.002,14 2.232,15 1.946,16 10.869,17 6.446,18 3,19 1.489,20 1,21 2,22 1.488,23 -0.42,24 1,25 9,26 11,27 60.682,28 1.357,31 0.31,32 0.298,34 -0.395,35 0.458,36 10.672,37 11.836,38 0.851,39 1.409,40 13.069,44 7.476,46 85.996,47 6.351,48 4.752,49 2.643,50 2.705,52 4,53 1.962,54 27.13,55 3,57 10,58 1,59 8.358,60 0.13,61 3.724,62 3.631,63 7.253}
{0 CHEMBL204773,1 2,2 1,3 2,4 1.939,5 1,6 -0.101,7 -0.116,8 1.274,9 1.106,10 1.792,11 1.753,12 0.405,13 -0.075,14 2.134,15 1.953,16 10.827,17 4.979,18 2,19 1.464,20 2,21 2,22 1.049,23 -0.067,24 2,25 10,26 12,27 47.556,28 1.502,31 0.345,32 0.295,33 1,34 0.007,35 0.455,36 10.696,37 11.875,38 0.832,39 0.923,40 13.124,44 7.476,46 165.049,47 6.351,48 4.856,49 2.151,50 2.164,52 3,53 1.549,54 27.091,55 3,57 10.483,58 1,59 8.361,60 0.119,61 3.693,62 3.558,63 6.457}
{0 CHEMBL204789,1 3,3 3,4 1.923,6 -0.265,7 -0.263,8 1.429,9 1.06,10 1.789,11 1.75,12 0.383,13 0.004,14 2.199,15 1.942,16 10.898,17 3.87,18 3,19 1.506,20 1,21 2,22 1.456,23 -0.393,24 1,25 9,26 11,27 61.96,28 1.348,31 0.3,32 0.299,34 -0.367,35 0.458,36 10.685,37 11.845,38 0.857,39 1.376,40 13.075,44 7.476,46 89.929,47 6.351,48 4.756,49 2.695,50 2.797,52 2,53 2.073,54 28.1,55 4,57 10.033,58 1,59 8.382,60 0.114,61 3.725,62 3.632,63 6.485}
{0 CHEMBL205532,1 3,3 3,4 1.94,6 -0.142,7 -0.139,8 1.305,9 1.038,10 1.794,11 1.754,12 0.377,13 0.065,14 2.1,15 1.955,16 10.805,17 5.269,18 3,19 1.487,20 2,21 2,22 0.962,23 0.004,24 2,25 10,26 12,27 41.923,28 1.507,31 0.357,32 0.289,34 0.029,35 0.448,36 10.705,37 11.885,38 0.809,39 0.882,40 13.134,44 7.476,46 158.509,47 6.351,48 4.75,49 2.121,50 1.95,52 3,53 1.375,54 27.51,55 3,57 10.464,58 1,59 8.369,60 0.106,61 3.699,62 3.582,63 6.734}
{0 CHEMBL205600,1 3,3 3,4 1.938,6 -0.115,7 -0.132,8 1.262,9 1.059,10 1.792,11 1.753,12 0.37,13 0.07,14 2.133,15 1.953,16 10.76,17 5.27,18 3,19 1.484,20 2,21 2,22 0.908,23 0.065,24 2,25 10,26 12,27 35.316,28 1.501,31 0.37,32 0.279,34 0.102,35 0.436,36 10.652,37 11.833,38 0.771,39 0.819,40 13.085,44 7.476,46 152.59,47 6.351,48 4.758,49 1.715,50 1.688,52 3,53 1.069,54 26.059,55 3,57 10.481,58 1,59 8.312,60 0.111,61 3.687,62 3.556,63 6.686}
{0 CHEMBL205634,1 3,3 3,4 1.912,6 -0.179,7 -0.224,8 1.369,9 1.03,10 1.778,11 1.743,12 0.39,13 0.009,14 2.211,15 1.927,16 10.727,17 1.641,18 3,19 1.486,22 1.543,23 -0.473,24 1,25 6,26 6,27 51.652,28 1.354,31 0.231,32 0.393,34 -0.444,35 0.611,36 10.447,37 11.583,38 1.092,39 1.452,40 12.786,44 7.476,46 102.565,47 6.351,48 4.754,49 2.129,50 2.198,53 1.889,54 24.122,55 3,57 10,58 1,59 8.18,60 0.131,61 3.685,62 3.583,63 6.629}
{0 CHEMBL205694,1 4,3 4,4 1.921,6 -0.126,7 -0.168,8 1.305,9 1.067,10 1.784,11 1.747,12 0.376,13 0.005,14 2.078,15 1.94,16 10.836,17 3.07,18 4,19 1.522,20 1,21 2,22 1.489,23 -0.427,24 1,25 9,26 11,27 58.968,28 1.351,31 0.321,32 0.303,34 -0.402,35 0.465,36 10.695,37 11.859,38 0.865,39 1.405,40 13.088,44 7.476,46 81.835,47 6.351,48 4.754,49 2.546,50 2.598,52 2,53 2.021,54 27.159,55 3,57 9.929,58 1,59 8.381,60 0.106,61 3.724,62 3.631,63 6.594}
{0 CHEMBL205894,1 3,3 3,4 1.959,6 -0.152,7 -0.16,8 1.297,9 1.002,10 1.805,11 1.754,12 0.401,13 0.009,14 2.618,15 1.992,16 10.92,17 9.428,18 3,19 1.447,22 1.4,23 -0.32,24 1,25 6,26 6,27 64.323,28 1.407,31 0.188,32 0.377,34 -0.298,35 0.589,36 10.46,37 11.585,38 1.045,39 1.348,40 12.792,44 7.476,46 131.947,47 6.351,48 4.754,49 2.788,50 2.944,52 6,53 1.889,54 29.851,55 3,57 11.781,58 1,59 8.213,60 0.177,61 3.756,62 3.645,63 6.9}
{0 CHEMBL206005,1 3,3 3,4 1.912,6 -0.201,7 -0.22,8 1.371,9 0.961,10 1.771,11 1.742,12 0.629,13 0.225,14 2.233,15 1.92,16 23.68,17 1.427,18 3,19 1.501,22 1.426,23 -0.366,24 1,25 6,26 6,27 57.441,28 1.352,31 0.214,32 0.414,34 -0.376,35 0.636,36 10.507,37 11.637,38 1.176,39 1.389,40 12.836,44 7.476,46 111.605,47 7.428,48 6.351,49 2.234,50 2.305,52 1,53 1.917,54 23.937,55 3,57 9.893,58 2,59 8.25,60 0.127,61 3.685,62 3.583,63 6.52}
{0 CHEMBL208213,1 2,3 2,4 1.906,6 -0.284,7 -0.313,8 1.477,9 1.004,10 1.775,11 1.741,12 0.388,13 0.008,14 2.196,15 1.92,16 10.67,17 0.724,18 2,19 1.503,22 1.606,23 -0.556,24 1,25 6,26 6,27 45.875,28 1.351,31 0.24,32 0.382,34 -0.528,35 0.598,36 10.438,37 11.577,38 1.048,39 1.506,40 12.78,44 7.476,46 98.137,47 6.351,48 4.757,49 1.934,50 1.851,53 1.861,54 23.156,55 3,57 10.04,58 1,59 8.168,60 0.121,61 3.685,62 3.583,63 7.039}
{0 CHEMBL208316,1 3,3 3,4 1.917,6 -0.179,7 -0.177,8 1.334,9 1.036,10 1.781,11 1.745,12 0.387,13 0.002,14 2.174,15 1.936,16 10.83,17 5.185,18 3,19 1.499,20 1,21 2,22 1.517,23 -0.455,24 1,25 9,26 11,27 57.374,28 1.351,31 0.321,32 0.298,34 -0.429,35 0.459,36 10.671,37 11.836,38 0.849,39 1.431,40 13.068,44 7.476,46 82.062,47 6.351,48 4.752,49 2.484,50 2.513,52 3,53 1.962,54 26.131,55 3,57 9.964,58 1,59 8.353,60 0.121,61 3.724,62 3.631,63 7.8}
{0 CHEMBL208503,1 2,3 2,4 1.914,6 -0.094,7 -0.141,8 1.219,9 1.06,10 1.792,11 1.758,12 0.364,13 0.116,14 1.562,15 1.926,16 10.821,17 5.792,18 2,19 1.522,20 2,21 5,22 0.88,23 0.093,24 2,25 15,26 17,27 35.333,28 1.501,31 0.556,32 0.231,34 0.105,35 0.359,36 10.707,37 11.88,38 0.642,39 0.816,40 13.128,44 7.476,46 133.529,47 6.351,48 4.762,49 1.708,50 1.632,52 4,53 0.962,54 26.27,55 3,57 10.37,58 1,59 8.381,60 0.065,61 3.709,62 3.589,63 5.889}
{0 CHEMBL208529,1 3,3 3,4 1.989,6 -0.301,7 -0.302,8 1.423,9 0.985,10 1.904,11 1.874,12 0.404,13 0.015,14 1.803,15 2.008,16 10.912,17 1.473,18 3,19 1.487,22 1.387,23 -0.343,24 2,25 12,26 12,27 62.556,28 1.355,31 0.387,32 0.289,34 -0.316,35 0.445,36 10.505,37 11.618,38 0.822,39 1.302,40 12.822,44 7.476,46 242.656,47 6.351,48 4.793,49 2.608,50 2.859,53 1.84,54 27.308,55 3,57 10.129,58 1,59 8.274,60 0.13,61 3.78,62 3.69,63 6.623}
{0 CHEMBL2110180,1 3,3 3,4 1.998,6 -0.142,7 -0.125,8 1.249,9 1.077,10 1.912,11 1.891,12 0.692,13 0.137,14 1.281,15 2.003,16 11.216,17 2.78,18 3,19 1.517,20 2,21 2,22 0.904,23 0.073,24 3,25 16,26 18,27 40.564,28 1.507,31 0.552,32 0.253,33 1,34 0.028,35 0.384,36 10.828,37 11.995,38 0.734,39 0.926,40 13.239,44 7.475,46 251.901,47 6.351,48 4.969,49 2.125,50 1.785,52 2,53 1.514,54 24.09,57 9.517,58 1,59 8.502,60 0.081,61 3.665,62 3.571,63 6.783}
{0 CHEMBL2110181,1 3,3 3,4 1.998,6 -0.176,7 -0.185,8 1.297,9 1.093,10 1.912,11 1.891,12 0.649,13 0.152,14 1.132,15 2.003,16 11.17,17 2.307,18 3,19 1.529,20 2,21 2,22 0.852,23 0.119,24 3,25 16,26 18,27 35.666,28 1.507,31 0.571,32 0.254,33 1,34 0.063,35 0.387,36 10.827,37 11.995,38 0.738,39 0.878,40 13.239,44 7.475,46 239.329,47 6.351,48 4.985,49 1.979,50 1.538,52 2,53 1.514,54 23.911,57 9.5,58 1,59 8.5,60 0.068,61 3.663,62 3.571,63 6.212}
{0 CHEMBL2110182,1 3,3 3,4 2.001,6 -0.262,7 -0.221,8 1.381,9 0.921,10 1.913,11 1.892,12 0.684,13 0.112,14 1.261,15 2.005,16 11.301,17 2.296,18 3,19 1.544,20 2,21 2,22 0.992,23 0.003,24 3,25 16,26 18,27 50.4,28 1.507,31 0.516,32 0.252,33 1,34 -0.025,35 0.383,36 10.928,37 12.086,38 0.736,39 1.009,40 13.317,44 7.475,46 277.045,47 6.351,48 4.977,49 2.428,50 2.279,52 2,53 1.903,54 27.412,57 9.548,58 1,59 8.619,60 0.074,61 3.716,62 3.577,63 4}
{0 CHEMBL2111534,1 2,3 2,4 1.881,6 -0.192,7 -0.201,8 1.316,9 1.054,10 1.766,11 1.736,12 0.356,13 0.035,14 1.585,15 1.894,16 10.803,17 3.603,18 2,19 1.558,20 3,21 3,22 1.03,23 -0.057,24 2,25 13,26 15,27 38.313,28 1.51,31 0.481,32 0.237,34 -0.078,35 0.367,36 11.276,37 12.523,38 0.662,39 1.036,40 13.813,44 7.476,46 143.602,47 6.351,48 4.76,49 1.995,50 1.753,52 3,53 1.465,54 28.293,55 3,57 10.407,58 1,59 8.807,60 0.063,61 3.722,62 3.625,63 6}
{0 CHEMBL2111535,1 2,3 2,4 1.88,6 -0.202,7 -0.212,8 1.309,9 1.062,10 1.765,11 1.735,12 0.358,13 0.034,14 1.608,15 1.893,16 10.758,17 3.603,18 2,19 1.559,20 3,21 3,22 1.02,23 -0.038,24 2,25 13,26 15,27 33.151,28 1.504,31 0.5,32 0.229,34 -0.059,35 0.358,36 11.238,37 12.483,38 0.633,39 1.031,40 13.772,44 7.476,46 137.682,47 6.351,48 4.768,49 1.648,50 1.525,52 3,53 1.215,54 26.616,55 3,57 10.423,58 1,59 8.768,60 0.067,61 3.719,62 3.619,63 6}
{0 CHEMBL2303693,1 4,3 1,4 2.028,5 1,6 -0.117,7 -0.138,8 1.197,9 1.036,10 1.892,11 1.869,12 0.741,13 0.023,14 0.771,15 2.013,16 23.704,17 3.589,19 1.447,20 1,21 7,22 1.415,23 -0.362,24 3,25 18,26 18,27 50.044,28 1.461,30 0.36,31 0.439,32 0.152,33 1,34 -0.342,35 0.255,36 10.476,37 11.545,38 0.377,39 1.4,40 12.744,44 7.474,46 522.013,47 7.43,48 6.517,49 1.921,50 1.971,52 3,53 1.625,54 27.944,55 6,57 18.463,58 2,59 8.331,60 0.107,61 3.835,62 3.726,63 5.553}
{0 CHEMBL24966,1 2,3 2,4 2.008,6 -0.188,7 -0.191,8 1.26,9 0.992,10 1.93,11 1.908,12 0.611,13 0.123,14 0.974,15 2.02,16 11.167,17 2.395,18 2,19 1.56,20 2,21 2,22 0.715,23 0.272,24 3,25 16,26 18,27 28.636,28 1.503,31 0.593,32 0.251,34 0.232,35 0.383,36 10.831,37 11.999,38 0.722,39 0.74,40 13.242,44 7.475,46 230.67,47 6.351,48 4.809,49 1.625,50 1.437,52 2,53 1.208,54 25.981,57 9.481,58 1,59 8.5,60 0.051,61 3.68,62 3.599,63 6.009}
{0 CHEMBL265051,1 1,2 1,3 1,4 1.935,5 1,6 0.125,7 0.034,8 0.818,9 0.748,10 1.855,11 1.831,12 0.388,13 -0.074,14 1.546,15 1.95,16 11.065,17 -0.701,18 1,19 1.485,22 1.126,23 -0.133,24 2,25 15,26 17,27 58.786,28 1.347,29 2,30 8.115,31 0.469,32 0.252,33 2,34 -0.149,35 0.382,36 10.192,37 11.213,38 0.737,39 1.166,40 12.387,41 2,42 2,43 29.92,44 8.362,45 26.093,46 190.426,47 7.999,48 7.476,49 2.831,50 2.721,51 3.3,53 1.837,54 18.707,55 1,56 2,57 10.281,58 1,59 8.094,60 0.113,61 3.676,62 3.573,63 6.583}
{0 CHEMBL275311,1 2,3 2,4 2.006,6 -0.227,7 -0.23,8 1.281,9 1.047,10 1.929,11 1.907,12 0.646,13 0.05,14 0.871,15 2.016,16 10.99,17 2.424,18 2,19 1.545,20 2,21 2,22 0.874,23 0.109,24 3,25 16,26 18,27 24.455,28 1.502,31 0.615,32 0.225,34 0.094,35 0.353,36 10.747,37 11.912,38 0.617,39 0.864,40 13.157,44 7.475,46 224.901,47 6.351,48 4.803,49 1.408,50 1.181,52 2,53 1.174,54 24.17,55 1,57 10.462,58 1,59 8.426,60 0.054,61 3.675,62 3.596,63 5}
{0 CHEMBL284937,1 2,3 2,4 2.006,6 -0.156,7 -0.158,8 1.23,9 1.06,10 1.929,11 1.907,12 0.654,13 0.027,14 0.96,15 2.017,16 11.074,17 3.43,18 2,19 1.538,20 2,21 2,22 1.005,23 -0.021,24 3,25 16,26 18,27 39.3,28 1.512,31 0.571,32 0.236,34 -0.03,35 0.365,36 10.812,37 11.976,38 0.662,39 0.991,40 13.22,44 7.475,46 242.319,47 6.351,48 4.793,49 2.069,50 1.87,52 3,53 1.653,54 26.667,55 1,57 10.464,58 1,59 8.493,60 0.065,61 3.712,62 3.632,63 5.699}
{0 CHEMBL288436,1 3,3 3,4 1.973,6 -0.191,7 -0.17,8 1.284,9 1.015,10 1.854,11 1.827,12 0.615,13 0.103,14 0.857,15 1.966,16 11.155,17 4.578,18 3,19 1.568,20 3,21 4,22 0.993,23 -0.005,24 3,25 19,26 21,27 36.788,28 1.51,31 0.704,32 0.221,34 -0.067,35 0.336,36 11.27,37 12.507,38 0.642,39 1.055,40 13.792,44 7.475,46 223.177,47 6.351,48 4.874,49 1.883,50 1.637,52 4,53 1.51,54 25.641,57 9.481,58 1,59 8.816,60 0.051,61 3.744,62 3.645,63 7.125}
{0 CHEMBL290246,1 2,2 1,3 1,4 1.936,5 1,6 0.005,7 0.01,8 1.015,9 0.949,10 1.855,11 1.831,12 0.816,13 -0.045,14 1.676,15 1.95,16 11.099,17 2.611,18 1,19 1.481,22 1.162,23 -0.152,24 2,25 15,26 17,27 59.969,28 1.348,31 0.455,32 0.249,33 2,34 -0.146,35 0.379,36 10.26,37 11.287,38 0.724,39 1.054,40 12.459,41 1,42 1,43 14.96,44 8.203,45 14.077,46 198.062,47 7.469,48 6.35,49 2.663,50 2.651,51 1.5,52 2,53 1.861,54 20.685,55 1,56 1,57 10.788,58 1,59 8.15,60 0.132,61 3.695,62 3.572,63 7.19}
{0 CHEMBL290761,1 1,2 1,3 1,4 1.934,5 1,6 0.043,7 -0.091,8 0.932,9 0.703,10 1.868,11 1.846,12 0.289,13 -0.048,14 1.52,15 1.955,16 11.172,17 -0.684,18 1,19 1.489,22 1.257,23 -0.264,24 2,25 15,26 17,27 86.315,28 1.371,29 2,30 8.115,31 0.441,32 0.258,33 1,34 -0.216,35 0.389,36 10.75,37 11.881,38 0.76,39 1.228,40 13.09,41 2,42 2,43 29.92,44 8.362,45 26.447,46 205.233,47 7.999,48 7.476,49 3.492,50 3.842,51 3,53 2.573,54 26.68,55 1,56 2,57 10.382,58 1,59 8.485,60 0.103,61 3.689,62 3.586,63 7.26}
{0 CHEMBL291034,1 1,2 1,3 1,4 1.94,5 1,6 -0.078,7 -0.063,8 1.147,9 0.91,10 1.868,11 1.846,12 0.479,13 -0.091,14 2.016,15 1.975,16 11.289,17 6.711,18 1,19 1.475,22 1.233,23 -0.218,24 2,25 15,26 17,27 85.296,28 1.382,31 0.405,32 0.239,33 1,34 -0.159,35 0.367,36 10.754,37 11.88,38 0.687,39 1.196,40 13.091,44 7.476,46 230.753,47 6.351,48 4.921,49 3.323,50 3.693,52 5,53 2.462,54 32.194,55 1,57 12.622,58 1,59 8.496,60 0.145,61 3.761,62 3.637,63 7.921}
{0 CHEMBL298373,1 3,3 3,4 2.12,6 -0.172,7 -0.141,8 1.22,9 1.062,10 2.047,11 2.022,12 0.678,13 0.034,14 0.736,15 2.132,16 11.508,17 2.291,18 3,19 1.553,20 2,21 2,22 0.906,23 0.082,24 5,25 29,26 37,27 47.937,28 1.502,31 0.784,32 0.177,34 0.116,35 0.266,36 11.05,37 12.194,38 0.528,39 0.807,40 13.431,44 7.475,46 304.634,47 6.351,48 4.975,49 2.743,50 2.481,52 2,53 2.174,54 29.578,57 10.216,58 1,59 8.762,60 0.027,61 3.915,62 3.858,63 5.77}
{0 CHEMBL308377,1 2,3 2,4 1.88,6 -0.202,7 -0.212,8 1.309,9 1.062,10 1.765,11 1.735,12 0.358,13 0.034,14 1.608,15 1.893,16 10.758,17 3.603,18 2,19 1.559,20 3,21 3,22 1.02,23 -0.038,24 2,25 13,26 15,27 33.151,28 1.504,31 0.5,32 0.229,34 -0.059,35 0.358,36 11.238,37 12.483,38 0.633,39 1.031,40 13.772,44 7.476,46 137.682,47 6.351,48 4.768,49 1.648,50 1.525,52 3,53 1.215,54 26.616,55 3,57 10.423,58 1,59 8.768,60 0.067,61 3.719,62 3.619,63 6.678}
{0 CHEMBL308883,1 2,3 2,4 1.881,6 -0.192,7 -0.201,8 1.316,9 1.054,10 1.766,11 1.736,12 0.356,13 0.035,14 1.585,15 1.894,16 10.803,17 3.603,18 2,19 1.558,20 3,21 3,22 1.03,23 -0.057,24 2,25 13,26 15,27 38.313,28 1.51,31 0.481,32 0.237,34 -0.078,35 0.367,36 11.276,37 12.523,38 0.662,39 1.036,40 13.813,44 7.476,46 143.602,47 6.351,48 4.76,49 1.995,50 1.753,52 3,53 1.465,54 28.293,55 3,57 10.407,58 1,59 8.807,60 0.063,61 3.722,62 3.625,63 7.126}
{0 CHEMBL324960,1 3,3 3,4 1.977,6 -0.216,7 -0.187,8 1.285,9 1.055,10 1.908,11 1.895,12 0.787,13 0.179,14 0.885,15 1.994,16 24.193,17 2.251,18 3,19 1.52,20 2,21 2,22 0.794,23 0.188,24 3,25 16,26 18,27 24.726,28 1.508,31 0.615,32 0.249,34 0.09,35 0.382,36 10.719,37 11.893,38 0.711,39 0.798,40 13.139,44 7.475,46 215.782,47 7.397,48 6.351,49 1.646,50 1.098,52 2,53 1.403,54 23.564,57 9.577,58 2,59 8.388,60 0.056,61 3.664,62 3.605,63 5.523}
{0 CHEMBL32505,1 2,3 2,4 2.006,6 -0.216,7 -0.22,8 1.288,9 1.047,10 1.929,11 1.907,12 0.639,13 0.042,14 0.872,15 2.016,16 11.035,17 2.422,18 2,19 1.548,20 2,21 2,22 0.948,23 0.03,24 3,25 16,26 18,27 31.598,28 1.508,31 0.593,32 0.232,34 0.017,35 0.362,36 10.8,37 11.966,38 0.645,39 0.935,40 13.209,44 7.475,46 233.195,47 6.351,48 4.797,49 1.787,50 1.496,52 2,53 1.479,54 25.792,55 1,57 10.444,58 1,59 8.479,60 0.051,61 3.697,62 3.619,63 5.93}
{0 CHEMBL326525,1 14,3 3,4 2.089,6 -0.167,7 -0.165,8 1.258,9 1.016,10 1.942,11 1.918,12 0.649,13 0.033,14 0.875,15 2.053,16 34.502,17 2.143,18 3,19 1.548,20 2,21 2,22 0.951,23 0.047,24 4,25 25,26 31,27 50.759,28 1.505,31 0.694,32 0.197,34 0.037,35 0.296,36 10.985,37 12.129,38 0.589,39 0.932,40 13.362,44 7.815,46 272.452,47 7.475,48 6.999,49 2.626,50 2.568,52 2,53 2.24,54 27.11,57 9.75,58 1,59 8.702,60 0.043,61 3.906,62 3.822,63 7.357}
{0 CHEMBL326766,1 2,3 2,4 2.003,6 -0.155,7 -0.158,8 1.209,9 1.047,10 1.925,11 1.903,12 0.64,13 0.121,14 0.975,15 2.014,16 11.1,17 2.397,18 2,19 1.541,20 2,21 2,22 0.748,23 0.241,24 3,25 16,26 18,27 25.203,28 1.502,31 0.615,32 0.246,34 0.196,35 0.378,36 10.787,37 11.955,38 0.7,39 0.775,40 13.2,44 7.475,46 219.197,47 6.351,48 4.811,49 1.447,50 1.245,52 2,53 1.153,54 24.059,55 1,57 9.538,58 1,59 8.457,60 0.054,61 3.654,62 3.572,63 5.796}
{0 CHEMBL328481,1 6,3 3,4 1.86,6 -0.23,7 -0.258,8 1.288,9 0.996,10 1.756,11 1.721,12 0.465,13 0.073,14 0.885,15 1.887,16 11.067,17 2.393,18 3,19 1.515,20 2,21 2,22 0.92,23 0.067,24 2,25 15,26 17,27 34.21,28 1.508,31 0.577,32 0.242,34 0.02,35 0.374,36 10.747,37 11.926,38 0.684,39 0.921,40 13.171,44 7.475,46 135.586,47 6.351,48 4.849,49 1.719,50 1.396,52 2,53 1.316,54 23.922,55 1,57 9.654,58 1,59 8.409,60 0.055,61 3.681,62 3.609,63 8.523}
{0 CHEMBL329802,1 6,3 6,4 1.884,6 -0.113,7 -0.197,8 1.24,9 1.046,10 1.761,11 1.721,12 0.486,13 0.059,14 0.885,15 1.9,16 11.014,17 2.378,18 3,19 1.539,20 2,21 2,22 0.924,23 0.051,24 2,25 15,26 17,27 31.755,28 1.508,31 0.577,32 0.242,34 0.011,35 0.374,36 10.775,37 11.95,38 0.684,39 0.92,40 13.192,44 7.475,46 135.586,47 6.351,48 4.953,49 1.648,50 1.347,52 2,53 1.316,54 23.718,55 1,57 9.654,58 1,59 8.443,60 0.054,61 3.688,62 3.588,63 6.886}
{0 CHEMBL334330,1 3,3 3,4 2.021,6 -0.173,7 -0.153,8 1.245,9 1.033,10 1.932,11 1.909,12 0.674,13 0.042,14 0.78,15 2.023,16 11.405,17 2.297,18 3,19 1.545,20 2,21 2,22 0.952,23 0.033,24 4,25 25,26 31,27 46.686,28 1.505,31 0.758,32 0.202,34 0.061,35 0.303,36 10.942,37 12.092,38 0.606,39 0.881,40 13.331,44 7.475,46 240.385,47 6.351,48 4.94,49 2.496,50 2.381,52 2,53 2.014,54 27.251,57 9.576,58 1,59 8.645,60 0.03,61 3.871,62 3.804,63 6.194}
{0 CHEMBL334534,1 3,3 3,4 2.014,5 1,6 -0.194,7 -0.175,8 1.224,9 0.971,10 1.928,11 1.906,12 0.71,13 -0.013,14 0.765,15 2.017,16 11.348,17 2.243,18 3,19 1.53,20 2,21 2,22 0.814,23 0.166,24 4,25 25,26 31,27 33.224,28 1.502,31 0.781,32 0.198,33 1,34 0.214,35 0.298,36 10.884,37 12.034,38 0.59,39 0.761,40 13.275,44 7.475,46 233.598,47 6.351,48 5.014,49 2.037,50 1.823,52 2,53 1.611,54 24.42,57 9.563,58 1,59 8.589,60 0.032,61 3.861,62 3.792,63 5.921}
{0 CHEMBL335242,1 1,2 1,3 1,4 1.899,5 1,6 0.023,7 -0.183,8 0.997,9 0.729,10 1.782,11 1.753,12 0.438,13 -0.011,14 2.178,15 1.909,16 10.746,17 -1.497,18 1,19 1.465,22 1.382,23 -0.379,24 1,25 6,26 6,27 89.766,28 1.361,31 0.188,32 0.43,33 1,34 -0.415,35 0.657,36 10.636,37 11.773,38 1.241,39 1.424,40 12.976,41 4,42 4,43 59.84,44 8.513,45 53.932,46 128.884,47 8.201,48 7.999,49 3.742,50 3.713,51 6.3,53 2.757,54 23.809,55 4,56 4,57 10.625,58 1,59 8.374,60 0.125,61 3.69,62 3.584,63 7.81}
{0 CHEMBL337393,1 1,2 1,3 1,4 1.928,5 1,6 0.091,7 0.016,8 0.878,9 0.75,10 1.825,11 1.802,12 0.369,13 -0.014,14 2.091,15 1.93,16 10.764,17 -0.801,18 1,19 1.418,22 1.139,23 -0.115,24 2,25 12,26 12,27 57.615,28 1.311,29 2,30 8.115,31 0.364,32 0.286,33 1,34 -0.18,35 0.442,36 9.844,37 10.798,38 0.808,39 1.082,40 11.952,41 4,42 4,43 59.84,44 8.362,45 53.529,46 249.187,47 8.211,48 8.191,49 2.856,50 2.875,51 6.8,53 1.785,54 17.276,55 4,56 4,57 11.273,58 1,59 7.844,60 0.133,61 3.773,62 3.685,63 8.62}
{0 CHEMBL337859,1 4,3 4,4 2.01,6 -0.186,7 -0.125,8 1.209,9 0.956,10 1.929,11 1.907,12 0.679,13 0.098,14 0.765,15 2.016,16 11.365,17 2.323,18 4,19 1.521,20 2,21 2,22 0.917,23 0.092,24 4,25 25,26 31,27 32.837,28 1.504,31 0.781,32 0.198,34 0.013,35 0.298,36 10.869,37 12.019,38 0.59,39 0.918,40 13.26,44 7.475,46 233.598,47 6.351,48 4.921,49 2.149,50 1.817,52 2,53 1.611,54 25.562,57 9.563,58 1,59 8.573,60 0.032,61 3.856,62 3.815,63 6.398}
{0 CHEMBL347411,1 1,3 1,4 1.893,6 -0.159,7 -0.17,8 1.223,9 1.095,10 1.792,11 1.766,12 0.403,13 -0.34,14 1.646,15 1.904,16 10.662,17 3.613,18 1,19 1.472,20 1,21 3,22 1.019,23 -0.067,24 1,25 11,26 11,27 22.79,28 1.461,31 0.458,32 0.262,33 1,34 0.052,35 0.415,36 10.204,37 11.321,38 0.707,39 0.951,40 12.54,44 7.476,46 84.69,47 6.351,48 5.085,49 0.979,50 1.053,52 3,53 0.653,54 18.552,55 5,57 10.292,58 1,59 7.97,60 0.098,61 3.709,62 3.585,63 7.824}
{0 CHEMBL348794,1 6,3 6,4 1.998,6 -0.157,7 -0.159,8 1.269,9 1.063,10 1.912,11 1.891,12 0.432,13 0.132,14 1.412,15 2.003,16 22.155,17 1.606,18 6,19 1.522,20 2,21 2,22 0.846,23 0.155,24 3,25 16,26 18,27 41.991,28 1.507,31 0.516,32 0.246,33 1,34 0.052,35 0.376,36 10.838,37 12.001,38 0.714,39 0.917,40 13.243,44 7.477,46 277.883,47 7.472,48 6.352,49 2.106,50 1.756,52 2,53 1.514,54 24.244,57 9.613,58 2,59 8.523,60 0.097,61 3.667,62 3.571,63 5.859}
{0 CHEMBL348797,1 3,3 3,4 1.997,6 -0.238,7 -0.172,8 1.291,9 1.058,10 1.912,11 1.891,12 0.615,13 0.068,14 0.974,15 2.002,16 11.081,17 2.212,18 3,19 1.508,20 2,21 2,22 0.906,23 0.129,24 3,25 16,26 18,27 20.02,28 1.503,31 0.593,32 0.253,33 1,34 -0.027,35 0.386,36 10.785,37 11.953,38 0.731,39 0.801,40 13.198,44 7.475,46 227.255,47 6.543,48 6.351,49 1.308,50 1.039,51 2,52 2,53 1.458,54 22.358,56 1,57 9.519,58 1,59 8.456,60 0.057,61 3.632,62 3.567,63 7.495}
{0 CHEMBL351943,1 3,3 3,4 1.999,6 -0.224,7 -0.206,8 1.339,9 0.987,10 1.912,11 1.891,12 0.722,13 0.133,14 1.412,15 2.004,16 11.291,17 2.833,18 3,19 1.523,20 2,21 2,22 0.893,23 0.092,24 3,25 16,26 18,27 45.516,28 1.507,31 0.516,32 0.246,33 1,34 0.056,35 0.376,36 10.838,37 12.001,38 0.714,39 0.921,40 13.243,44 7.475,46 277.883,47 6.351,48 4.967,49 2.273,50 2.091,52 2,53 1.514,54 26.638,57 9.613,58 1,59 8.524,60 0.088,61 3.703,62 3.574,63 6.975}
{0 CHEMBL377178,1 3,3 3,4 1.908,6 -0.222,7 -0.203,8 1.358,9 0.996,10 1.778,11 1.743,12 0.39,13 0.002,14 1.784,15 1.923,16 10.882,17 6.908,18 3,19 1.514,20 1,21 4,22 1.488,23 -0.429,24 1,25 12,26 14,27 60.311,28 1.35,31 0.414,32 0.24,34 -0.402,35 0.368,36 10.729,37 11.882,38 0.687,39 1.401,40 13.107,44 7.476,46 84.928,47 6.351,48 4.753,49 2.592,50 2.689,52 4,53 1.931,54 26.601,55 3,57 9.966,58 1,59 8.434,60 0.118,61 3.777,62 3.686,63 6.979}
{0 CHEMBL378553,1 3,3 3,4 1.93,6 -0.086,7 -0.127,8 1.24,9 1.117,10 1.788,11 1.75,12 0.366,13 0.07,14 2.073,15 1.943,16 10.714,17 4.113,18 3,19 1.488,20 2,21 2,22 0.903,23 0.065,24 2,25 10,26 12,27 32.255,28 1.501,31 0.385,32 0.276,34 0.106,35 0.434,36 10.65,37 11.832,38 0.757,39 0.807,40 13.084,44 7.476,46 145.126,47 6.351,48 4.759,49 1.545,50 1.524,52 2,53 1.069,54 25.263,55 3,57 10.5,58 1,59 8.307,60 0.1,61 3.672,62 3.543,63 6.678}
{0 CHEMBL378926,1 2,3 2,4 1.914,6 -0.094,7 -0.141,8 1.219,9 1.06,10 1.792,11 1.758,12 0.364,13 0.116,14 1.562,15 1.926,16 10.821,17 5.792,18 2,19 1.522,20 2,21 5,22 0.88,23 0.093,24 2,25 15,26 17,27 35.333,28 1.501,31 0.556,32 0.231,34 0.105,35 0.359,36 10.707,37 11.88,38 0.642,39 0.816,40 13.128,44 7.476,46 133.529,47 6.351,48 4.762,49 1.708,50 1.632,52 4,53 0.962,54 26.27,55 3,57 10.37,58 1,59 8.381,60 0.065,61 3.709,62 3.589,63 6.793}
{0 CHEMBL379057,1 3,3 3,4 1.918,6 -0.205,7 -0.224,8 1.385,9 0.974,10 1.781,11 1.744,12 0.393,13 0.014,14 2.274,15 1.935,16 10.773,17 2.779,18 3,19 1.482,22 1.479,23 -0.409,24 1,25 6,26 6,27 54.57,28 1.357,31 0.222,32 0.398,34 -0.382,35 0.617,36 10.45,37 11.585,38 1.116,39 1.396,40 12.788,44 7.476,46 107.176,47 6.351,48 4.754,49 2.303,50 2.387,52 1,53 1.889,54 24.892,55 3,57 10,58 1,59 8.186,60 0.141,61 3.685,62 3.583,63 7.315}
{0 CHEMBL38,1 1,3 1,4 1.913,6 -0.203,7 -0.212,8 1.306,9 1.089,10 1.808,11 1.776,12 0.371,13 -0.102,14 2.553,15 1.93,16 10.534,17 3.722,18 1,19 1.443,20 1,21 3,22 1.606,23 -0.536,24 1,25 6,26 6,27 24.477,28 1.461,31 0.273,32 0.333,34 -0.516,35 0.539,36 10.052,37 11.186,38 0.868,39 1.592,40 12.415,44 7.476,46 87.891,47 6.351,48 4.679,49 0.994,50 1.091,52 3,53 0.757,54 18.726,55 6,57 10.5,58 1,59 7.802,60 0.1,61 3.633,62 3.532,63 6}
{0 CHEMBL39206,1 1,2 1,3 1,4 1.935,5 1,6 0.154,7 0.039,8 0.764,9 0.682,10 1.855,11 1.831,12 0.351,13 -0.093,14 1.534,15 1.95,16 11.06,17 -1.402,18 1,19 1.484,22 1.116,23 -0.124,24 2,25 15,26 17,27 61.744,28 1.347,31 0.455,32 0.252,33 2,34 -0.151,35 0.382,36 10.232,37 11.249,38 0.737,39 1.184,40 12.415,41 3,42 3,43 44.88,44 8.513,45 39.202,46 197.981,47 7.999,48 7.999,49 3.098,50 2.961,51 5,53 2.059,54 18.456,55 1,56 3,57 10.364,58 1,59 8.144,60 0.113,61 3.676,62 3.573,63 6.848}
{0 CHEMBL41146,1 1,2 1,3 1,4 1.934,5 1,6 -0.065,7 -0.104,8 1.075,9 0.776,10 1.868,11 1.846,12 0.467,13 -0.038,14 1.663,15 1.956,16 11.204,17 0.238,18 1,19 1.482,22 1.281,23 -0.274,24 2,25 15,26 17,27 83.916,28 1.372,31 0.441,32 0.255,33 1,34 -0.213,35 0.386,36 10.749,37 11.88,38 0.75,39 1.136,40 13.09,41 1,42 1,43 14.96,44 8.195,45 12.926,46 205.562,47 7.476,48 6.351,49 3.207,50 3.62,51 1.4,52 1,53 2.462,54 27.508,55 1,56 1,57 10.794,58 1,59 8.482,60 0.113,61 3.69,62 3.586,63 8}
{0 CHEMBL41260,1 1,2 1,3 1,4 1.934,5 1,6 0.088,7 -0.086,8 0.864,9 0.64,10 1.867,11 1.846,12 0.264,13 -0.053,14 1.506,15 1.955,16 11.167,17 -1.386,18 1,19 1.488,22 1.244,23 -0.253,24 2,25 15,26 17,27 90.675,28 1.371,31 0.429,32 0.258,33 1,34 -0.218,35 0.39,36 10.773,37 11.9,38 0.761,39 1.233,40 13.104,41 3,42 3,43 44.88,44 8.513,45 39.732,46 212.788,47 7.999,48 7.999,49 3.802,50 4.155,51 4.5,53 2.74,54 26.564,55 1,56 3,57 10.457,58 1,59 8.519,60 0.103,61 3.69,62 3.586,63 8}
{0 CHEMBL41422,1 1,2 1,3 1,4 1.935,5 1,6 0.109,7 0.034,8 0.84,9 0.777,10 1.854,11 1.831,12 0.562,13 -0.07,14 1.534,15 1.949,16 11.039,17 -0.751,18 1,19 1.481,22 1.126,23 -0.124,24 2,25 15,26 17,27 60.259,28 1.347,29 2,30 8.115,31 0.455,32 0.252,33 2,34 -0.15,35 0.382,36 10.261,37 11.289,38 0.734,39 1.099,40 12.46,41 3,42 3,43 44.88,44 8.362,45 40.107,46 197.732,47 8.203,48 7.999,49 2.957,50 2.766,51 5,53 1.972,54 17.906,55 1,56 3,57 10.333,58 1,59 8.152,60 0.113,61 3.694,62 3.572,63 8.398}
{0 CHEMBL414233,1 2,3 2,4 1.93,6 -0.188,7 -0.198,8 1.307,9 1.038,10 1.831,11 1.8,12 0.353,13 0.067,14 1.899,15 1.95,16 10.829,17 2.401,18 2,19 1.533,20 2,21 2,22 0.99,23 0.013,24 2,25 10,26 12,27 33.989,28 1.503,31 0.385,32 0.299,34 -0.016,35 0.461,36 10.729,37 11.906,38 0.847,39 1.013,40 13.152,44 7.476,46 143.033,47 6.351,48 4.783,49 1.635,50 1.613,52 2,53 1.264,54 25.855,55 3,57 9.577,58 1,59 8.392,60 0.068,61 3.672,62 3.572,63 7.481}
{0 CHEMBL41676,1 1,2 1,3 1,4 1.95,5 1,6 -0.167,7 -0.17,8 1.252,9 0.89,10 1.871,11 1.848,12 0.517,13 -0.074,14 1.462,15 1.964,16 11.132,17 0.56,18 1,19 1.531,22 1.311,23 -0.307,24 2,25 15,26 17,27 68.856,28 1.367,31 0.469,32 0.26,33 2,34 -0.295,35 0.392,36 10.817,37 11.951,38 0.765,39 1.293,40 13.162,44 7.476,46 190.122,47 6.351,48 5.132,49 2.814,50 2.869,53 2.462,54 25.299,55 1,57 9.844,58 1,59 8.542,60 0.103,61 3.688,62 3.584,63 7.921}
{0 CHEMBL41742,1 1,2 1,3 1,4 1.92,5 1,6 0.057,7 0.064,8 0.98,9 0.991,10 1.85,11 1.828,12 0.559,13 -0.035,14 1.556,15 1.941,16 11.146,17 1.633,18 1,19 1.465,22 1.168,23 -0.171,24 2,25 15,26 17,27 63.629,28 1.352,31 0.484,32 0.253,33 1,34 -0.117,35 0.384,36 10.053,37 11.056,38 0.74,39 1.124,40 12.219,44 7.476,46 182.871,47 6.351,48 4.918,49 2.545,50 2.667,52 1,53 1.726,54 21.607,55 1,57 10.194,58 1,59 7.982,60 0.123,61 3.676,62 3.579,63 7.824}
{0 CHEMBL41890,1 1,2 1,3 1,4 1.919,5 1,6 0.08,7 0.081,8 0.956,9 1.055,10 1.849,11 1.828,12 0.516,13 -0.025,14 1.484,15 1.941,16 11.117,17 0.61,18 1,19 1.467,22 1.139,23 -0.147,24 2,25 15,26 17,27 59.135,28 1.352,31 0.5,32 0.255,33 1,34 -0.095,35 0.387,36 10.051,37 11.056,38 0.747,39 1.094,40 12.218,44 7.476,46 175.315,47 6.351,48 4.918,49 2.404,50 2.421,53 1.726,54 20.651,55 1,57 9.7,58 1,59 7.977,60 0.113,61 3.675,62 3.579,63 7.959}
{0 CHEMBL422088,1 1,2 1,3 1,4 1.927,5 1,6 0.077,7 0.013,8 0.882,9 0.853,10 1.832,11 1.806,12 0.5,13 0.011,14 2.116,15 1.937,16 10.767,17 -0.755,18 1,19 1.42,22 1.133,23 -0.13,24 2,25 12,26 12,27 57.14,28 1.311,29 2,30 8.115,31 0.375,32 0.287,33 1,34 -0.177,35 0.443,36 9.852,37 10.818,38 0.813,39 1.202,40 11.977,41 3,42 3,43 44.88,44 8.362,45 40.329,46 240.818,47 8.201,48 7.999,49 2.835,50 2.848,51 5.1,53 1.812,54 17.382,55 4,56 3,57 11.156,58 1,59 7.831,60 0.133,61 3.771,62 3.685,63 7.796}
{0 CHEMBL42314,1 1,2 1,3 1,4 1.898,5 1,6 -0.003,7 -0.189,8 1.045,9 0.724,10 1.788,11 1.756,12 0.279,13 -0.056,14 2.255,15 1.914,16 10.759,17 -0.672,18 1,19 1.467,22 1.425,23 -0.412,24 1,25 6,26 6,27 72.808,28 1.362,29 2,30 8.115,31 0.2,32 0.414,33 1,34 -0.412,35 0.637,36 10.577,37 11.721,38 1.179,39 1.371,40 12.932,41 2,42 2,43 29.92,44 8.362,45 25.882,46 119.845,47 7.999,48 7.476,49 3.073,50 2.922,51 3.1,53 2.507,54 24.47,55 4,56 2,57 10.633,58 1,59 8.299,60 0.125,61 3.689,62 3.584,63 7.745}
{0 CHEMBL423465,1 3,3 3,4 1.998,6 -0.176,7 -0.185,8 1.297,9 1.093,10 1.912,11 1.891,12 0.649,13 0.152,14 1.132,15 2.003,16 11.17,17 2.307,18 3,19 1.529,20 2,21 2,22 0.852,23 0.119,24 3,25 16,26 18,27 35.666,28 1.507,31 0.571,32 0.254,33 1,34 0.063,35 0.387,36 10.827,37 11.995,38 0.738,39 0.878,40 13.239,44 7.475,46 239.329,47 6.351,48 4.985,49 1.979,50 1.538,52 2,53 1.514,54 23.911,57 9.5,58 1,59 8.5,60 0.068,61 3.663,62 3.571,63 8.049}
{0 CHEMBL424269,1 1,2 1,3 1,4 1.891,5 1,6 0.252,7 0.008,8 0.751,9 0.885,10 1.777,11 1.747,12 0.575,13 -0.04,14 2.351,15 1.907,16 10.707,17 1.81,18 1,19 1.403,22 1.14,23 -0.15,24 1,25 6,26 6,27 61.459,28 1.304,29 2,30 1.824,31 0.188,32 0.413,33 1,34 -0.123,35 0.636,36 10.126,37 11.186,38 1.175,39 1.185,40 12.358,41 5,42 5,43 74.801,44 8.531,45 67.615,46 129.084,47 8.336,48 7.999,49 3.101,50 2.736,51 8.2,52 2,53 2.194,54 17.472,55 4,56 5,57 11.125,58 1,59 7.988,60 0.164,61 3.669,62 3.513,63 8.086}
{0 CHEMBL424636,1 2,3 2,4 2.006,6 -0.168,7 -0.17,8 1.252,9 1.027,10 1.929,11 1.908,12 0.641,13 0.016,14 0.957,15 2.017,16 11.11,17 2.418,18 2,19 1.552,20 2,21 2,22 1.049,23 -0.059,24 3,25 16,26 18,27 46.887,28 1.514,31 0.552,32 0.24,34 -0.065,35 0.37,36 10.85,37 12.013,38 0.68,39 1.034,40 13.254,44 7.475,46 251.443,47 6.351,48 4.795,49 2.352,50 2.24,52 2,53 1.882,54 28.548,55 1,57 10.483,58 1,59 8.534,60 0.062,61 3.734,62 3.652,63 5}
{0 CHEMBL424639,1 1,2 1,3 1,4 1.923,5 1,6 0.123,7 0.015,8 0.825,9 0.793,10 1.837,11 1.808,12 0.339,13 -0.071,14 2.14,15 1.942,16 10.77,17 -0.697,18 1,19 1.427,22 1.242,23 -0.245,24 2,25 12,26 12,27 53.546,28 1.311,29 2,30 8.115,31 0.387,32 0.288,33 1,34 -0.231,35 0.444,36 9.775,37 10.728,38 0.814,39 1.238,40 11.89,41 2,42 2,43 29.92,44 8.362,45 25.971,46 225.049,47 7.999,48 7.476,49 2.588,50 2.674,51 3.4,53 1.701,54 18.211,55 4,56 2,57 11.097,58 1,59 7.769,60 0.133,61 3.765,62 3.685,63 7.91}
{0 CHEMBL427391,1 3,3 3,4 1.932,6 -0.116,7 -0.136,8 1.287,9 1.092,10 1.79,11 1.751,12 0.374,13 0.078,14 2.039,15 1.946,16 10.758,17 4.113,18 3,19 1.492,20 2,21 2,22 0.899,23 0.053,24 2,25 10,26 12,27 37.455,28 1.506,31 0.37,32 0.286,34 0.077,35 0.446,36 10.703,37 11.884,38 0.795,39 0.817,40 13.133,44 7.476,46 151.046,47 6.351,48 4.751,49 1.929,50 1.732,52 2,53 1.319,54 26.708,55 3,57 10.481,58 1,59 8.364,60 0.095,61 3.69,62 3.575,63 6.875}
{0 CHEMBL43238,1 1,2 1,3 1,4 1.934,5 1,6 -0.027,7 -0.101,8 1,9 0.705,10 1.868,11 1.846,12 0.463,13 -0.016,14 1.647,15 1.956,16 11.201,17 -0.413,18 1,19 1.482,22 1.276,23 -0.264,24 2,25 15,26 17,27 87.031,28 1.372,29 2,30 8.115,31 0.429,32 0.253,33 1,34 -0.214,35 0.384,36 10.752,37 11.881,38 0.741,39 1.072,40 13.091,41 2,42 2,43 29.92,44 8.362,45 25.935,46 213.447,47 7.999,48 7.476,49 3.374,50 3.84,51 2.9,52 1,53 2.462,54 27.264,55 1,56 2,57 10.886,58 1,59 8.49,60 0.113,61 3.691,62 3.586,63 7.921}
{0 CHEMBL433178,1 15,3 3,4 1.988,6 -0.216,7 -0.247,8 1.428,9 0.97,10 1.82,11 1.826,12 1.012,13 -0.093,14 1.093,15 2.014,16 37.3,17 2.212,18 3,19 1.556,20 2,21 2,22 0.874,23 0.084,24 2,25 15,26 17,27 47.405,28 1.508,31 0.469,32 0.244,34 0.111,35 0.375,36 11.151,37 12.347,38 0.694,39 0.817,40 13.595,44 7.716,46 174.783,47 7.475,48 6.999,49 2.113,50 1.811,52 2,53 1.976,54 27.081,55 1,57 9.938,58 3,59 8.775,60 0.075,61 3.735,62 3.652,63 6.745}
{0 CHEMBL44420,1 2,3 2,4 1.934,6 -0.178,7 -0.166,8 1.233,9 0.934,10 1.87,11 1.849,12 0.393,13 -0.042,14 1.351,15 1.956,16 11.122,18 2,19 1.535,22 1.44,23 -0.431,24 2,25 15,26 17,27 64.148,28 1.391,31 0.5,32 0.256,34 -0.393,35 0.388,36 10.763,37 11.9,38 0.745,39 1.424,40 13.111,44 7.476,46 176.284,47 6.351,48 4.895,49 2.419,50 2.719,53 2.205,54 27.554,55 1,57 9.733,58 1,59 8.486,60 0.078,61 3.689,62 3.589,63 7.481}
{0 CHEMBL471967,1 7,3 4,4 2.034,5 1,6 -0.233,7 -0.166,8 1.341,9 1.057,10 1.951,11 1.953,12 0.851,13 0.046,14 0.886,15 2.059,16 39.215,17 2.019,18 4,19 1.508,20 2,21 2,22 0.814,23 0.226,24 4,25 22,26 24,27 49.963,28 1.501,31 0.629,32 0.213,33 1,34 0.041,35 0.323,36 10.975,37 12.141,38 0.622,39 0.977,40 13.381,44 7.715,46 443.264,47 7.475,48 6.999,49 2.179,50 2.069,52 2,53 1.681,54 25.671,57 10.343,58 3,59 8.653,60 0.088,61 3.865,62 3.761,63 5.409}
{0 CHEMBL471968,1 4,3 4,4 2.041,6 -0.178,7 -0.196,8 1.043,9 0.871,10 1.963,11 1.961,12 0.753,13 0.353,14 0.889,15 2.065,16 39.029,17 1.839,18 4,19 1.513,20 2,21 2,22 0.77,23 0.267,24 4,25 22,26 24,27 45.664,28 1.501,31 0.595,32 0.208,34 0.134,35 0.317,36 11.034,37 12.195,38 0.604,39 0.618,40 13.428,41 3,42 3,43 44.88,44 8.513,45 39.257,46 478.963,47 7.999,48 7.999,49 2.41,50 2.277,51 4.7,52 2,53 1.806,54 24.517,56 3,57 10.486,58 3,59 8.722,60 0.075,61 3.872,62 3.766,63 6.125}
{0 CHEMBL474610,1 3,3 3,4 2.009,6 -0.132,7 -0.08,8 1.248,9 1.034,10 1.883,11 1.874,12 0.785,13 0.066,14 1.412,15 2.034,16 37.883,17 3.38,18 3,19 1.505,20 2,21 2,22 0.828,23 0.198,24 3,25 16,26 18,27 49.484,28 1.501,31 0.516,32 0.255,34 0.06,35 0.386,36 10.905,37 12.08,38 0.747,39 0.955,40 13.319,44 7.714,46 279.78,47 7.475,48 6.999,49 2.015,50 1.961,52 4,53 1.264,54 25.591,57 9.484,58 3,59 8.57,60 0.108,61 3.826,62 3.733,63 5}
{0 CHEMBL480548,1 13,3 4,4 2.087,6 -0.242,7 -0.191,8 1.344,9 1.012,10 1.967,11 1.963,12 0.788,13 0.273,14 0.889,15 2.083,16 61.229,17 1.923,18 4,19 1.53,20 2,21 2,22 0.782,23 0.264,24 4,25 22,26 24,27 45.78,28 1.501,31 0.611,32 0.21,34 0.113,35 0.319,36 11,37 12.163,38 0.611,39 0.875,40 13.399,44 7.815,46 461.114,47 7.715,48 7.475,49 2.155,50 2.03,52 2,53 1.743,54 24.438,57 10.417,58 3,59 8.687,60 0.091,61 3.888,62 3.766,63 5}
{0 CHEMBL512528,1 4,3 4,4 2.026,6 -0.254,7 -0.196,8 1.336,9 1.032,10 1.952,11 1.953,12 0.835,13 0.061,14 0.807,15 2.055,16 39.004,17 2.017,18 4,19 1.506,20 2,21 2,22 0.762,23 0.268,24 4,25 22,26 24,27 47.234,28 1.501,31 0.647,32 0.216,34 0.118,35 0.327,36 10.965,37 12.134,38 0.636,39 0.898,40 13.375,44 7.715,46 425.415,47 7.475,48 6.999,49 2.089,50 1.926,51 1.6,52 2,53 1.618,54 24.591,56 1,57 9.559,58 3,59 8.637,60 0.078,61 3.864,62 3.763,63 6.06}
{0 CHEMBL515426,1 4,3 4,4 2.032,6 -0.248,7 -0.179,8 1.332,9 1.025,10 1.954,11 1.953,12 0.838,13 0.059,14 0.801,15 2.061,16 38.848,17 2.046,18 4,19 1.526,20 2,21 2,22 0.791,23 0.24,24 4,25 22,26 24,27 46.253,28 1.501,31 0.667,32 0.219,34 0.093,35 0.33,36 10.961,37 12.131,38 0.646,39 0.899,40 13.373,44 7.715,46 408.199,47 7.475,48 6.999,49 2.097,50 1.953,52 2,53 1.451,54 24.609,57 9.485,58 3,59 8.63,60 0.078,61 3.862,62 3.761,63 5}
{0 CHEMBL521442,1 4,3 4,4 2.04,6 -0.263,7 -0.198,8 1.359,9 1.034,10 1.968,11 1.963,12 0.832,13 -0.025,14 0.807,15 2.07,16 39.103,17 2.044,18 4,19 1.528,20 2,21 2,22 0.769,23 0.236,24 4,25 22,26 24,27 47.535,28 1.501,31 0.647,32 0.216,34 0.132,35 0.327,36 10.977,37 12.144,38 0.636,39 0.848,40 13.383,44 7.715,46 425.415,47 7.475,48 6.999,49 2.193,50 2.029,52 2,53 1.618,54 26.273,57 9.559,58 3,59 8.656,60 0.075,61 3.868,62 3.766,63 5.523}
{0 CHEMBL69091,1 2,3 2,4 1.88,6 -0.202,7 -0.212,8 1.309,9 1.062,10 1.765,11 1.735,12 0.358,13 0.034,14 1.608,15 1.893,16 10.758,17 3.603,18 2,19 1.559,20 3,21 3,22 1.02,23 -0.038,24 2,25 13,26 15,27 33.151,28 1.504,31 0.5,32 0.229,34 -0.059,35 0.358,36 11.238,37 12.483,38 0.633,39 1.031,40 13.772,44 7.476,46 137.682,47 6.351,48 4.768,49 1.648,50 1.525,52 3,53 1.215,54 26.616,55 3,57 10.423,58 1,59 8.768,60 0.067,61 3.719,62 3.619,63 6}
{0 CHEMBL705,1 1,3 1,4 1.913,6 -0.203,7 -0.212,8 1.306,9 1.089,10 1.808,11 1.776,12 0.371,13 -0.102,14 2.553,15 1.93,16 10.534,17 3.722,18 1,19 1.443,20 1,21 3,22 1.606,23 -0.536,24 1,25 6,26 6,27 24.477,28 1.461,31 0.273,32 0.333,34 -0.516,35 0.539,36 10.052,37 11.186,38 0.868,39 1.592,40 12.415,44 7.476,46 87.891,47 6.351,48 4.679,49 0.994,50 1.091,52 3,53 0.757,54 18.726,55 6,57 10.5,58 1,59 7.802,60 0.1,61 3.633,62 3.532,63 7.824}
{0 CHEMBL7301,1 1,3 3,4 2.001,6 -0.201,7 -0.217,8 1.277,9 1.068,10 1.885,11 1.86,12 0.639,13 0.108,14 0.662,15 1.999,16 12.058,17 3.713,19 1.439,20 1,21 3,22 1.501,23 -0.457,24 2,25 12,26 12,27 33.481,28 1.461,31 0.414,32 0.208,34 -0.443,35 0.346,36 10.168,37 11.262,38 0.524,39 1.456,40 12.486,44 7.43,46 242.527,47 6.471,48 4.694,49 1.348,50 1.516,52 3,53 0.986,54 22.432,55 6,57 14.241,58 1,59 7.983,60 0.095,61 3.793,62 3.725,63 5.553}
{0 CHEMBL75133,1 2,3 2,4 1.88,6 -0.202,7 -0.212,8 1.309,9 1.062,10 1.765,11 1.735,12 0.358,13 0.034,14 1.608,15 1.893,16 10.758,17 3.603,18 2,19 1.559,20 3,21 3,22 1.02,23 -0.038,24 2,25 13,26 15,27 33.151,28 1.504,31 0.5,32 0.229,34 -0.059,35 0.358,36 11.238,37 12.483,38 0.633,39 1.031,40 13.772,44 7.476,46 137.682,47 6.351,48 4.768,49 1.648,50 1.525,52 3,53 1.215,54 26.616,55 3,57 10.423,58 1,59 8.768,60 0.067,61 3.719,62 3.619,63 8.444}
{0 CHEMBL82248,1 2,3 1,4 2.054,6 -0.111,7 -0.134,8 1.196,9 1.056,10 1.938,11 1.912,12 0.749,13 -0.022,14 0.771,15 2.053,16 23.791,17 3.721,19 1.447,20 1,21 8,22 1.361,23 -0.313,24 3,25 18,26 18,27 50.166,28 1.461,31 0.439,32 0.152,34 -0.307,35 0.255,36 10.47,37 11.535,38 0.377,39 1.36,40 12.734,44 7.474,46 522.013,47 7.43,48 6.517,49 1.992,50 2.022,52 4,53 1.625,54 30.595,55 6,57 18.463,58 2,59 8.33,60 0.105,61 3.837,62 3.731,63 5.553}
{0 CHEMBL89241,1 2,3 2,4 1.898,6 -0.3,7 -0.312,8 1.439,9 0.943,10 1.788,11 1.756,12 0.391,13 -0.08,14 2.196,15 1.914,16 10.665,18 2,19 1.522,22 1.57,23 -0.539,24 1,25 6,26 6,27 43.142,28 1.358,31 0.24,32 0.382,34 -0.53,35 0.598,36 10.479,37 11.613,38 1.048,39 1.549,40 12.816,44 7.476,46 98.137,47 6.351,48 4.777,49 1.892,50 1.899,53 1.861,54 23.119,55 4,57 10.04,58 1,59 8.21,60 0.105,61 3.685,62 3.583,63 7.526}
{0 CHEMBL91718,1 3,3 3,4 1.862,6 -0.251,7 -0.267,8 1.304,9 1.011,10 1.766,11 1.733,12 0.512,13 0.085,14 0.885,15 1.891,16 11.107,17 2.416,18 3,19 1.525,20 2,21 2,22 0.943,23 0.043,24 2,25 15,26 17,27 34.949,28 1.508,31 0.577,32 0.242,34 -0.001,35 0.374,36 10.754,37 11.931,38 0.684,39 0.958,40 13.176,44 7.475,46 135.586,47 6.351,48 4.778,49 1.759,50 1.458,52 2,53 1.316,54 24.538,55 1,57 9.654,58 1,59 8.42,60 0.054,61 3.685,62 3.614,63 7.638}
{0 CHEMBL92284,1 3,3 3,4 1.886,6 -0.153,7 -0.163,8 1.267,9 1.072,10 1.777,11 1.747,12 0.357,13 0.094,14 1.608,15 1.901,16 10.857,17 4.745,18 3,19 1.555,20 3,21 4,22 0.94,23 0.024,24 2,25 13,26 15,27 35.579,28 1.51,31 0.5,32 0.249,34 -0.021,35 0.382,36 11.161,37 12.388,38 0.712,39 0.972,40 13.662,44 7.476,46 139.664,47 6.351,48 4.763,49 1.943,50 1.595,52 4,53 1.41,54 26.693,55 3,57 9.577,58 1,59 8.725,60 0.067,61 3.705,62 3.601,63 7.886}
{0 CHEMBL92394,1 3,3 3,4 1.926,6 -0.146,7 -0.153,8 1.259,9 1.037,10 1.825,11 1.792,12 0.357,13 0.081,14 1.547,15 1.946,16 10.992,17 7.213,18 3,19 1.545,20 3,21 6,22 0.954,23 0.021,24 2,25 15,26 17,27 48.46,28 1.518,31 0.536,32 0.257,34 -0.014,35 0.39,36 11.089,37 12.3,38 0.749,39 0.979,40 13.566,44 7.476,46 150.033,47 6.351,48 4.753,49 2.439,50 2.197,52 6,53 1.576,54 30.189,55 3,57 9.464,58 1,59 8.681,60 0.061,61 3.711,62 3.605,63 5.699}
{0 CHEMBL93518,1 2,3 2,4 1.884,6 -0.162,7 -0.172,8 1.258,9 1.082,10 1.774,11 1.744,12 0.358,13 0.1,14 1.629,15 1.897,16 10.802,17 4.745,18 2,19 1.545,20 3,21 4,22 0.935,23 0.038,24 2,25 13,26 15,27 30.09,28 1.504,31 0.52,32 0.242,34 -0.014,35 0.373,36 11.118,37 12.342,38 0.68,39 0.978,40 13.614,44 7.476,46 133.744,47 6.351,48 4.771,49 1.592,50 1.347,52 4,53 1.215,54 25.013,55 3,57 9.6,58 1,59 8.682,60 0.07,61 3.701,62 3.595,63 7.721}
{0 CHEMBL93538,1 2,3 2,4 1.847,6 -0.262,7 -0.277,8 1.298,9 1.009,10 1.755,11 1.724,12 0.517,13 0.109,14 0.886,15 1.876,16 11.053,17 2.417,18 2,19 1.525,20 2,21 2,22 0.859,23 0.123,24 2,25 15,26 17,27 27.486,28 1.502,31 0.6,32 0.235,34 0.087,35 0.365,36 10.698,37 11.875,38 0.654,39 0.876,40 13.122,44 7.475,46 129.666,47 6.351,48 4.785,49 1.352,50 1.159,52 2,53 1.011,54 22.928,55 1,57 9.68,58 1,59 8.363,60 0.057,61 3.66,62 3.589,63 5.638}
{0 CHEMBL93577,1 5,3 2,4 1.844,6 -0.241,7 -0.268,8 1.28,9 0.993,10 1.742,11 1.709,12 0.469,13 0.112,14 0.886,15 1.87,16 11.013,17 2.395,18 2,19 1.514,20 2,21 2,22 0.864,23 0.126,24 2,25 15,26 17,27 27.18,28 1.502,31 0.6,32 0.235,34 0.081,35 0.365,36 10.69,37 11.87,38 0.654,39 0.888,40 13.117,44 7.475,46 129.666,47 6.351,48 4.852,49 1.31,50 1.139,52 2,53 1.011,54 22.317,55 1,57 9.68,58 1,59 8.352,60 0.058,61 3.656,62 3.583,63 6.678}
{0 CHEMBL93628,1 3,3 3,4 1.864,6 -0.242,7 -0.233,8 1.281,9 1,10 1.767,11 1.735,12 0.656,13 0.085,14 0.885,15 1.891,16 11.103,17 2.416,18 3,19 1.528,20 2,21 2,22 0.943,23 0.043,24 2,25 15,26 17,27 34.949,28 1.508,31 0.577,32 0.242,34 -0.001,35 0.374,36 10.776,37 11.951,38 0.684,39 0.958,40 13.193,44 7.475,46 135.586,47 6.351,48 4.777,49 1.759,50 1.458,52 2,53 1.316,54 24.57,55 1,57 9.654,58 1,59 8.442,60 0.054,61 3.686,62 3.614,63 6.745}
{0 CHEMBL93848,1 2,3 2,4 1.924,6 -0.154,7 -0.161,8 1.25,9 1.044,10 1.822,11 1.79,12 0.359,13 0.073,14 1.562,15 1.943,16 10.938,17 7.214,18 2,19 1.546,20 3,21 6,22 1.009,23 -0.013,24 2,25 15,26 17,27 43.143,28 1.51,31 0.556,32 0.25,34 -0.05,35 0.381,36 11.043,37 12.251,38 0.717,39 1.042,40 13.515,44 7.476,46 144.113,47 6.351,48 4.761,49 2.007,50 1.955,52 6,53 1.302,54 28.494,55 3,57 9.481,58 1,59 8.636,60 0.063,61 3.709,62 3.602,63 6.902}
{0 CHEMBL96184,1 2,3 2,4 1.999,6 -0.201,7 -0.204,8 1.244,9 1.056,10 1.921,11 1.9,12 0.655,13 0.118,14 0.886,15 2.009,16 11.023,17 2.375,18 2,19 1.563,20 2,21 2,22 0.79,23 0.2,24 3,25 16,26 18,27 21.964,28 1.501,31 0.64,32 0.242,34 0.15,35 0.374,36 10.773,37 11.942,38 0.68,39 0.821,40 13.186,44 7.475,46 207.724,47 6.351,48 4.88,49 1.269,50 1.058,52 2,53 1.097,54 23.206,57 9.6,58 1,59 8.441,60 0.057,61 3.636,62 3.554,63 6.507}
{0 CHEMBL98172,1 3,3 3,4 1.996,6 -0.231,7 -0.232,8 1.29,9 1.038,10 1.911,11 1.892,12 0.792,13 0.206,14 0.885,15 2.001,16 24.073,17 2.23,18 3,19 1.57,20 2,21 2,22 0.747,23 0.217,24 3,25 16,26 18,27 24.399,28 1.506,31 0.615,32 0.249,34 0.199,35 0.382,36 10.847,37 12.018,38 0.711,39 0.73,40 13.261,44 7.475,46 215.782,47 7.427,48 6.351,49 1.561,50 1.091,52 2,53 1.403,54 22.936,57 9.577,58 2,59 8.513,60 0.056,61 3.66,62 3.569,63 6.672}