@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3122

@attribute molecule_id {CHEMBL1076,CHEMBL107726,CHEMBL108804,CHEMBL109553,CHEMBL109755,CHEMBL109783,CHEMBL109827,CHEMBL109848,CHEMBL110751,CHEMBL110852,CHEMBL110859,CHEMBL110860,CHEMBL110975,CHEMBL110976,CHEMBL111151,CHEMBL111372,CHEMBL111391,CHEMBL111412,CHEMBL111463,CHEMBL111496,CHEMBL111536,CHEMBL111537,CHEMBL111554,CHEMBL111584,CHEMBL111682,CHEMBL111685,CHEMBL111734,CHEMBL111771,CHEMBL112814,CHEMBL1215,CHEMBL1258987,CHEMBL1258988,CHEMBL1259005,CHEMBL1259006,CHEMBL1259023,CHEMBL1259024,CHEMBL1259042,CHEMBL1259043,CHEMBL1259062,CHEMBL1259063,CHEMBL1259079,CHEMBL1259080,CHEMBL1259097,CHEMBL1259098,CHEMBL1259112,CHEMBL1259113,CHEMBL1259144,CHEMBL1259145,CHEMBL1259158,CHEMBL1259172,CHEMBL1259173,CHEMBL1259174,CHEMBL1259187,CHEMBL1259188,CHEMBL1259189,CHEMBL1259190,CHEMBL1259203,CHEMBL1259216,CHEMBL1259217,CHEMBL1259231,CHEMBL1259232,CHEMBL12713,CHEMBL133451,CHEMBL136560,CHEMBL1437,CHEMBL2,CHEMBL2111710,CHEMBL2112073,CHEMBL2326175,CHEMBL287928,CHEMBL287965,CHEMBL288530,CHEMBL288678,CHEMBL288809,CHEMBL289166,CHEMBL289361,CHEMBL289437,CHEMBL289627,CHEMBL289758,CHEMBL290243,CHEMBL290387,CHEMBL290388,CHEMBL290519,CHEMBL291073,CHEMBL291154,CHEMBL291262,CHEMBL295741,CHEMBL296711,CHEMBL297218,CHEMBL303313,CHEMBL313424,CHEMBL317333,CHEMBL317912,CHEMBL318901,CHEMBL319352,CHEMBL320353,CHEMBL320589,CHEMBL320765,CHEMBL321644,CHEMBL322042,CHEMBL322082,CHEMBL322492,CHEMBL323004,CHEMBL323402,CHEMBL323440,CHEMBL324238,CHEMBL325897,CHEMBL326437,CHEMBL326702,CHEMBL326862,CHEMBL327116,CHEMBL327527,CHEMBL328187,CHEMBL336161,CHEMBL39037,CHEMBL40310,CHEMBL40564,CHEMBL40650,CHEMBL40754,CHEMBL40780,CHEMBL40819,CHEMBL40896,CHEMBL41155,CHEMBL41234,CHEMBL41332,CHEMBL41344,CHEMBL41396,CHEMBL41444,CHEMBL417890,CHEMBL419369,CHEMBL420997,CHEMBL43234,CHEMBL432451,CHEMBL434591,CHEMBL43573,CHEMBL43909,CHEMBL43921,CHEMBL441032,CHEMBL442394,CHEMBL597,CHEMBL61006,CHEMBL611,CHEMBL64249,CHEMBL64875,CHEMBL762,CHEMBL836,CHEMBL93923,CHEMBL95175,CHEMBL97242,CHEMBL97333,CHEMBL97698,CHEMBL98241}
@attribute Eig05_EA numeric
@attribute piPC10 numeric
@attribute P_VSA_e_2 numeric
@attribute SM13_AEA.bo. numeric
@attribute ATS5i numeric
@attribute ATS6p numeric
@attribute CATS2D_08_AL numeric
@attribute S2K numeric
@attribute ATSC6v numeric
@attribute nCar numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute ATS7i numeric
@attribute CIC0 numeric
@attribute SpMax8_Bh.i. numeric
@attribute ATS3p numeric
@attribute ATS4i numeric
@attribute ATS4p numeric
@attribute ATSC4m numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_v_1 numeric
@attribute ATSC7i numeric
@attribute ATSC5v numeric
@attribute ATSC6p numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8v numeric
@attribute ATSC1v numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_MR_1 numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA.ri. numeric
@attribute ATSC3v numeric
@attribute ATSC4p numeric
@attribute ATSC5p numeric
@attribute ATS5p numeric
@attribute ATSC4v numeric
@attribute SpMin3_Bh.p. numeric
@attribute NsssN numeric
@attribute Chi1_EA.dm. numeric
@attribute GGI8 numeric
@attribute SpMin7_Bh.m. numeric
@attribute Hypnotic.80 numeric
@attribute PHI numeric
@attribute ATSC3p numeric
@attribute GATS2p numeric
@attribute P_VSA_i_3 numeric
@attribute ATS6m numeric
@attribute Eig02_EA.dm. numeric
@attribute MATS2p numeric
@attribute MATS1s numeric
@attribute ATSC3m numeric
@attribute SpMin3_Bh.i. numeric
@attribute C.006 numeric
@attribute Eig03_EA.dm. numeric
@attribute ATSC2v numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 0.76,2 2.151,3 65.973,4 0.76,5 4.472,6 2.914,8 5.072,9 5.965,10 6,11 65.973,12 65.973,13 4.134,14 3.33,15 2.313,16 3.271,17 4.345,18 3.293,19 15.148,20 141.253,21 65.973,22 141.253,23 141.253,24 141.253,25 141.253,26 0.31,27 7.395,28 3.77,29 6.495,30 1.622,31 2.95,32 3.509,33 141.253,34 141.253,35 1.624,36 0.65,37 6.29,38 4.869,39 4.893,40 3.215,41 6.857,42 1.565,44 16.129,46 0.778,48 4.037,49 4.587,50 0.865,51 205.936,52 2.575,53 0.86,54 0.206,55 -0.23,56 13.501,57 1.17,58 1,59 0.765,60 5.287,62 1.418,63 5.161}
{0 CHEMBL107726,1 1.618,2 6.727,3 107.531,4 1.618,5 4.743,6 3.781,8 5.933,9 11.302,10 9,11 107.531,12 107.531,13 4.608,14 3.462,15 2.668,16 3.913,17 4.703,18 3.926,19 28.631,20 176.567,21 69.504,22 176.567,23 176.567,24 176.567,25 176.567,26 0.888,27 10.442,28 10.069,29 16.755,30 5.261,31 6.527,32 4.526,33 185.244,34 117.711,35 2.536,36 1.478,37 10.805,38 9.801,39 9.13,40 3.9,41 10.223,42 1.717,44 14.632,45 0.137,46 1.032,47 1,48 4.179,49 9.7,50 1.111,51 220.879,52 3.74,53 0.68,54 -0.047,55 -0.133,56 27.971,57 1.511,58 2,60 8.571,62 2.923,63 5}
{0 CHEMBL108804,1 1.781,2 6.797,3 69.105,4 1.781,5 4.89,6 3.741,8 5.353,9 11.057,10 9,11 69.105,12 69.105,13 4.743,14 3.482,15 2.689,16 3.857,17 4.784,18 3.903,19 22.577,20 164.795,21 63.297,22 164.795,23 164.795,24 164.795,25 164.795,26 0.829,27 11.776,28 9.23,29 17.409,30 4.236,31 5.618,32 4.383,33 141.253,34 164.795,35 2.756,36 1.734,37 10.432,38 8.584,39 9.631,40 3.912,41 10.932,42 1.711,44 15.131,45 0.148,46 1.073,47 1,48 3.675,49 8.159,50 1.179,51 251.792,52 3.629,54 -0.1,55 -0.15,56 21.967,57 1.506,60 8.221,62 2.417,63 5.6}
{0 CHEMBL109553,1 1.505,2 5.326,3 62.798,4 1.505,5 4.866,6 3.576,8 5.391,9 10.606,10 6,11 62.798,12 62.798,13 4.603,14 3.646,15 2.737,16 3.84,17 4.847,18 3.827,19 26.14,20 200.109,21 56.991,22 200.109,23 200.109,24 200.109,25 200.109,26 0.693,27 12.07,28 8.217,29 16.232,30 4.596,31 6.209,32 5.265,33 200.109,34 153.024,35 2.486,36 1.474,37 12.095,38 8.704,39 9.102,40 3.768,41 11.822,42 1.709,44 5.529,45 0.045,46 1.051,47 1,48 4.054,49 9.095,50 1.179,51 244.422,52 3.335,54 -0.054,55 -0.163,56 27.012,57 1.502,58 2,60 9.426,62 1.812,63 5}
{0 CHEMBL109755,1 1.618,2 6.233,3 64.697,4 1.618,5 4.902,6 3.771,8 5.284,9 12.586,10 6,11 64.697,12 64.697,13 4.778,14 3.609,15 2.699,16 3.861,17 4.776,18 3.881,19 23.131,20 200.109,21 58.89,22 200.109,23 200.109,24 200.109,25 200.109,26 0.848,27 12.484,28 9.742,29 18.156,30 4.781,31 6.5,32 5.056,33 200.109,34 200.109,35 2.618,36 1.618,37 11.393,38 8.53,39 9.512,40 3.905,41 11.515,42 1.682,44 15.993,45 0.117,46 1.094,47 1,48 3.632,49 8.257,50 1.168,51 244.422,52 3.54,53 0.368,54 -0.101,55 -0.136,56 24.647,57 1.491,58 2,59 0.265,60 9.226,62 2.346,63 5.13}
{0 CHEMBL109783,1 1.781,2 6.313,3 55.221,4 1.781,5 4.949,6 3.818,8 5.502,9 12.595,10 6,11 55.221,12 55.221,13 4.868,14 3.588,15 2.717,16 3.882,17 4.821,18 3.911,19 24.273,20 188.338,21 49.414,22 188.338,23 188.338,24 188.338,25 188.338,26 0.885,27 12.667,28 10.015,29 19.816,30 4.781,31 6.599,32 4.954,33 188.338,34 188.338,35 2.758,36 1.736,37 11.317,38 8.621,39 9.922,40 3.945,41 11.417,42 1.682,44 16.289,45 0.148,46 1.073,47 1,48 3.843,49 8.337,50 1.185,51 275.334,52 3.64,53 0.368,54 -0.098,55 -0.145,56 25.063,57 1.49,58 2,59 0.265,60 9.132,62 2.562,63 5.538}
{0 CHEMBL109827,1 1.618,2 6.6,3 83.229,4 1.618,5 4.833,6 3.567,8 5.673,9 9.674,10 9,11 83.229,12 83.229,13 4.554,14 3.644,15 2.668,16 3.788,17 4.751,18 3.805,19 20.403,20 176.567,21 83.229,22 176.567,23 176.567,24 176.567,25 176.567,26 0.707,27 10.967,28 6.76,29 13.129,30 3.76,31 5.559,32 4.337,33 153.024,34 176.567,35 2.618,36 1.618,37 10.351,38 7.261,39 7.569,40 3.766,41 10.301,42 1.701,44 20.475,45 0.088,46 1.189,47 1,48 3.741,49 7.359,50 0.919,51 212.711,52 3.392,53 0.68,54 0.117,55 -0.001,56 18.787,57 1.346,59 0.366,60 7.78,62 2.162,63 5}
{0 CHEMBL109848,1 1.618,2 6.554,3 79.113,4 1.618,5 4.803,6 3.58,7 1,8 5.079,9 10.544,10 9,11 79.113,12 79.113,13 4.562,14 3.69,15 2.541,16 3.782,17 4.719,18 3.806,19 19.522,20 176.567,21 79.113,22 176.567,23 176.567,24 176.567,25 176.567,26 0.706,27 11.14,28 7.171,29 11.282,30 3.297,31 5.053,32 4.445,33 153.024,34 176.567,35 2.618,36 1.618,37 10.34,38 7.478,39 7.619,40 3.778,41 10.826,42 1.703,44 20.139,45 0.068,46 1.108,47 1,48 3.282,49 7.285,50 1.049,51 201.711,52 3.252,53 0.68,54 -0.016,55 -0.008,56 19.632,57 1.376,59 0.149,60 8.05,62 2.159,63 5}
{0 CHEMBL110751,1 1.618,2 6.686,3 78.047,4 1.618,5 4.82,6 3.562,8 5.676,9 9.01,10 9,11 78.047,12 78.047,13 4.63,14 3.373,15 2.571,16 3.778,17 4.739,18 3.8,19 18.218,20 141.253,21 78.047,22 141.253,23 186.134,24 149.013,25 141.253,26 1.162,27 10.117,28 7.338,29 15.281,30 3.56,31 2.781,32 3.598,33 117.711,34 141.253,35 2.618,36 1.618,37 9.788,38 7.583,39 7.709,40 3.77,41 9.658,42 1.705,44 21.184,45 0.228,46 1.032,47 1,48 3.858,49 7.319,50 1.031,51 166.398,52 3.681,53 1.5,54 0.004,55 -0.061,56 18.819,57 1.347,59 0.68,60 6.717,61 0.095,62 2.836,63 5}
{0 CHEMBL110852,1 1.245,2 5.462,3 65.061,4 1.245,5 4.371,6 3.339,8 5.587,9 7.185,10 6,11 65.061,12 65.061,13 4.404,14 3.296,15 2.686,16 3.493,17 4.453,18 3.385,19 18.775,20 153.024,21 59.254,22 153.024,23 153.024,24 153.024,25 153.024,26 0.594,27 6.493,28 5.431,29 13.636,30 3.543,31 4.942,32 3.916,33 153.024,34 117.711,35 2.224,36 1.217,37 7.673,38 5.189,39 4.759,40 3.372,41 6.706,42 1.682,44 21.798,45 0.117,46 1.007,47 1,48 4.091,49 5.735,50 1.206,51 197.337,52 3.259,53 0.277,54 -0.121,55 -0.17,56 22.585,57 1.362,58 3,59 0.247,60 6.875,62 2.149,63 5}
{0 CHEMBL110859,1 1.215,2 4.937,3 66.126,4 1.215,5 4.52,6 3.356,8 5.171,9 8.029,10 6,11 66.126,12 66.126,13 4.375,14 3.488,15 2.609,16 3.671,17 4.652,18 3.565,19 22.348,20 188.338,21 60.318,22 188.338,23 188.338,24 188.338,25 188.338,26 0.603,27 8.52,28 6.124,29 15.16,30 4.167,31 5.185,32 4.719,33 188.338,34 117.711,35 2.203,36 1.199,37 10.443,38 7.222,39 6.411,40 3.488,41 9.471,42 1.708,44 16.469,45 0.094,46 0.997,47 1,48 3.82,49 7.959,50 1.178,51 232.651,52 3.178,54 -0.086,55 -0.144,56 24.943,57 1.439,58 3,60 8.279,62 1.93,63 5}
{0 CHEMBL110860,1 1.515,2 6.159,3 82.579,4 1.515,5 4.37,6 3.388,7 2,8 5.463,9 6.097,10 9,11 82.579,12 82.579,13 4.305,14 3.058,15 2.51,16 3.645,17 4.486,18 3.54,19 22.075,20 129.482,21 70.725,22 129.482,23 129.482,24 129.482,25 129.482,26 0.633,27 5.763,28 6.104,29 16.003,30 4.328,31 4.42,32 3.291,33 105.94,34 94.169,35 2.477,36 1.452,37 7.247,38 6.969,39 6.46,40 3.475,41 6.12,42 1.719,44 7.897,45 0.117,46 1,47 1,48 4.065,49 7.832,50 1.086,51 218.108,52 3.651,54 -0.031,55 -0.169,56 23.819,57 1.559,58 1,60 5.891,62 2.473,63 5}
{0 CHEMBL110975,1 2.006,2 6.805,3 80.76,4 2.006,5 4.914,6 3.785,8 5.92,9 10.966,10 9,11 80.76,12 80.76,13 4.793,14 3.51,15 2.772,16 3.91,17 4.854,18 3.922,19 24.623,20 188.338,21 74.953,22 188.338,23 203.298,24 188.338,25 188.338,26 1.128,27 11.586,28 9.591,29 21.138,30 5.742,31 7.185,32 4.763,33 164.795,34 167.984,35 2.962,36 1.913,37 11.448,38 8.93,39 9.845,40 3.921,41 11.101,42 1.718,44 17.77,45 0.137,46 1.157,47 1,48 4.132,49 9.46,50 1.129,51 232.651,52 3.874,54 -0.062,55 -0.084,56 27.191,57 1.51,58 1,60 8.878,62 2.673,63 5}
{0 CHEMBL110976,1 1.813,2 6.905,3 85.231,4 1.813,5 4.998,6 3.913,8 5.935,9 13.333,10 9,11 85.231,12 85.231,13 4.951,14 3.63,15 2.798,16 3.906,17 4.835,18 3.983,19 23.955,20 200.109,21 79.424,22 200.109,23 200.109,24 200.109,25 200.109,26 1.025,27 13.247,28 11.1,29 23.763,30 6.177,31 8.721,32 4.939,33 176.567,34 200.109,35 2.778,36 1.749,37 10.989,38 9.201,39 10.537,40 4.028,41 11.896,42 1.717,44 18.417,45 0.148,46 1.233,47 1,48 4.149,49 8.467,50 1.079,51 255.422,52 3.79,53 0.68,54 -0.006,55 -0.13,56 22.838,57 1.517,60 8.863,62 2.531,63 5.77}
{0 CHEMBL111151,1 1.618,2 6.687,3 80.162,4 1.618,5 4.693,6 3.565,8 5.11,9 9.592,10 9,11 80.162,12 80.162,13 4.465,14 3.321,15 2.649,16 3.716,17 4.6,18 3.736,19 19.251,20 153.024,21 74.355,22 153.024,23 153.024,24 153.024,25 153.024,26 0.676,27 9.009,28 7.952,29 14.903,30 3.779,31 4.924,32 3.821,33 129.482,34 129.482,35 2.559,36 1.518,37 8.424,38 7.223,39 7.403,40 3.735,41 8.67,42 1.71,44 19.569,45 0.117,46 0.999,47 1,48 3.44,49 6.971,50 1.159,51 208.337,52 3.524,53 0.68,54 -0.103,55 -0.15,56 19.295,57 1.502,58 1,60 6.927,62 2.174,63 5}
{0 CHEMBL111372,1 1.903,2 6.77,3 69.105,4 1.903,5 4.9,6 3.742,8 5.353,9 11.352,10 9,11 69.105,12 69.105,13 4.731,14 3.482,15 2.717,16 3.858,17 4.781,18 3.906,19 22.386,20 164.795,21 63.297,22 164.795,23 164.795,24 164.795,25 164.795,26 0.836,27 11.709,28 9.192,29 17.92,30 4.331,31 5.559,32 4.383,33 141.253,34 164.795,35 2.869,36 1.835,37 10.362,38 8.691,39 9.548,40 3.915,41 10.97,42 1.711,44 14.861,45 0.117,46 1.06,47 1,48 3.675,49 8.137,50 1.179,51 251.792,52 3.712,54 -0.1,55 -0.15,56 21.956,57 1.507,60 8.221,62 2.467,63 5}
{0 CHEMBL111391,1 1.618,2 6.763,3 83.65,4 1.618,5 4.991,6 3.855,8 6.331,9 12.804,10 9,11 83.65,12 83.65,13 4.819,14 3.791,15 2.84,16 3.981,17 4.93,18 3.996,19 30.172,20 223.651,21 77.842,22 223.651,23 223.651,24 223.651,25 223.651,26 1.003,27 12.959,28 9.926,29 21.774,30 6.781,31 9.312,32 5.596,33 200.109,34 200.109,35 2.618,36 1.618,37 13.316,38 10.2,39 10.065,40 3.978,41 13.023,42 1.727,44 14.834,45 0.17,46 1.232,47 1,48 4.436,49 10.201,50 1.146,51 267.964,52 3.676,54 -0.068,55 -0.118,56 28.913,57 1.522,58 1,60 10.225,62 2.173,63 5}
{0 CHEMBL111412,1 1.245,2 5.509,3 72.638,4 1.245,5 4.446,6 3.406,8 5.613,9 8.156,10 6,11 72.638,12 72.638,13 4.4,14 3.407,15 2.661,16 3.627,17 4.65,18 3.535,19 22.483,20 176.567,21 66.831,22 176.567,23 176.567,24 176.567,25 176.567,26 0.63,27 7.705,28 6.207,29 16.426,30 4.338,31 5.565,32 4.364,33 164.795,34 117.711,35 2.222,36 1.216,37 9.353,38 6.927,39 5.903,40 3.473,41 9.084,42 1.692,44 15.953,45 0.117,46 1.02,47 1,48 4.122,49 7.224,50 1.172,51 220.879,52 3.246,53 0.267,54 -0.09,55 -0.146,56 23.476,57 1.451,58 2,60 7.583,62 2.23,63 5}
{0 CHEMBL111463,1 1.618,2 6.769,3 86.977,4 1.618,5 5.033,6 3.849,8 5.375,9 13.573,10 9,11 86.977,12 86.977,13 4.847,14 3.652,15 2.756,16 3.947,17 4.884,18 4.013,19 25.578,20 211.88,21 81.17,22 211.88,23 211.88,24 211.88,25 211.88,26 0.94,27 14.51,28 10.5,29 18.758,30 4.845,31 6.655,32 5.044,33 188.338,34 211.88,35 2.618,36 1.618,37 11.707,38 9.786,39 11.063,40 4.02,41 12.659,42 1.711,43 1,44 22.954,45 0.148,46 1.226,47 1,48 3.7,49 9.235,50 1.002,51 256.193,52 3.612,53 0.4,54 0.049,55 -0.128,56 25.59,57 1.507,60 9.021,62 2.326,63 5}
{0 CHEMBL111496,1 1.618,2 6.727,3 81.115,4 1.618,5 4.898,6 3.793,8 5.722,9 11.993,10 9,11 81.115,12 81.115,13 4.767,14 3.652,15 2.766,16 3.913,17 4.845,18 3.926,19 25.095,20 200.109,21 75.308,22 200.109,23 200.109,24 200.109,25 200.109,26 0.923,27 12.51,28 9.453,29 19.719,30 5.681,31 7.733,32 5.048,33 176.567,34 164.795,35 2.618,36 1.618,37 12.055,38 8.892,39 9.699,40 3.928,41 11.551,42 1.717,44 14.834,45 0.137,46 1.158,47 1,48 3.939,49 9.394,50 1.13,51 244.422,52 3.622,54 -0.06,55 -0.124,56 26.919,57 1.515,58 1,60 9.288,62 2.172,63 5.88}
{0 CHEMBL111536,1 1.618,2 6.793,3 86.977,4 1.618,5 4.97,6 3.851,8 5.375,9 13.315,10 9,11 86.977,12 86.977,13 4.833,14 3.652,15 2.836,16 3.927,17 4.895,18 3.987,19 25.547,20 211.88,21 81.17,22 211.88,23 211.88,24 211.88,25 211.88,26 0.948,27 13.588,28 10.339,29 19.679,30 5.224,31 6.939,32 5.044,33 188.338,34 211.88,35 2.618,36 1.618,37 11.511,38 9.633,39 10.45,40 3.989,41 12.959,42 1.778,44 15.748,45 0.191,46 1.151,47 1,48 3.7,49 8.672,50 1.051,51 256.193,52 3.634,54 -0.001,55 -0.133,56 22.848,57 1.543,60 9.017,62 2.388,63 5}
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{0 CHEMBL111554,1 1.618,2 6.687,3 78.581,4 1.618,5 4.84,6 3.69,8 5.133,9 11.168,10 9,11 78.581,12 78.581,13 4.641,14 3.501,15 2.66,16 3.836,17 4.737,18 3.873,19 21.664,20 176.567,21 72.773,22 176.567,23 176.567,24 176.567,25 176.567,26 0.788,27 11.623,28 8.938,29 15.937,30 4.105,31 5.392,32 4.493,33 153.024,34 176.567,35 2.618,36 1.618,37 10.545,38 8.467,39 9.189,40 3.871,41 11.088,42 1.71,44 14.834,45 0.117,46 1.094,47 1,48 3.465,49 8.057,50 1.163,51 220.879,52 3.528,54 -0.104,55 -0.136,56 21.759,57 1.507,60 8.331,62 2.166,63 5.33}
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{0 CHEMBL111685,1 2.014,2 7.248,3 87.497,4 2.014,5 5.309,6 4.367,7 6,8 7.868,9 20.176,10 9,11 87.497,12 87.497,13 5.419,14 4.283,15 3.132,16 4.308,17 5.311,18 4.325,19 39.259,20 317.82,21 81.69,22 317.82,23 317.82,24 317.82,25 317.82,26 1.99,27 19.899,28 15.347,29 50.898,30 16.147,31 21.825,32 7.907,33 294.278,34 282.506,35 2.972,36 1.925,37 19.832,38 14.335,39 14.589,40 4.349,41 19.787,42 1.886,44 21.163,45 0.278,46 1.498,48 5.497,49 14.579,50 1.148,51 362.133,52 4.201,54 -0.056,55 -0.096,56 39.603,57 1.772,58 1,60 14.658,62 2.814,63 6.05}
{0 CHEMBL111734,1 1.414,2 6.204,3 84.871,4 1.414,5 4.703,6 3.551,8 5.657,9 8.654,10 9,11 84.871,12 84.871,13 4.586,14 3.454,15 2.514,16 3.668,17 4.634,18 3.678,19 20.906,20 176.567,21 79.064,22 176.567,23 176.567,24 176.567,25 176.567,26 0.766,27 10.328,28 6.895,29 17.541,30 4.763,31 6.745,32 4.364,33 153.024,34 141.253,35 2.414,36 1.414,37 8.836,38 7.178,39 8.163,40 3.666,41 9.089,42 1.716,44 12.754,45 0.117,46 1.071,47 1,48 4.151,49 7.131,50 1.108,51 220.879,52 3.399,54 -0.025,55 -0.157,56 21.438,57 1.439,58 1,60 7.631,62 2.125,63 5.09}
{0 CHEMBL111771,1 1.55,2 6.775,3 78.581,4 1.55,5 4.763,6 3.586,8 5.133,9 9.781,10 9,11 78.581,12 78.581,13 4.525,14 3.501,15 2.628,16 3.806,17 4.699,18 3.794,19 21.612,20 176.567,21 72.773,22 176.567,23 176.567,24 176.567,25 176.567,26 0.741,27 10.716,28 7.931,29 16.213,30 4.711,31 6.49,32 4.493,33 153.024,34 141.253,35 2.549,36 1.549,37 10.48,38 7.582,39 8.562,40 3.775,41 9.513,42 1.78,44 15.874,45 0.117,46 1.114,47 1,48 3.465,49 8.397,50 1.112,51 220.879,52 3.444,54 -0.052,55 -0.132,56 24.301,57 1.592,58 1,60 8.331,62 2.171,63 5.7}
{0 CHEMBL112814,1 2.039,2 7.787,3 144.421,4 2.039,5 5.148,6 4.095,8 7.235,9 14.05,10 19,11 144.421,12 144.421,13 4.943,14 4.061,15 3.067,16 4.272,17 5.105,18 4.263,19 31.963,20 223.651,21 138.613,22 223.651,23 223.651,24 223.651,25 223.651,26 1.331,27 15.469,28 12.527,29 23.033,30 8.647,31 10.833,32 5.677,33 200.109,34 223.651,35 2.997,36 1.949,37 15.099,38 12.577,39 13.259,40 4.218,41 14.983,42 1.795,44 15.173,45 0.285,46 1.293,48 4.556,49 12.258,50 0.969,51 267.964,52 4.051,54 -0.019,55 -0.13,56 29.284,57 1.699,60 10.42,62 2.835,63 6.67}
{0 CHEMBL1215,1 0.772,3 51.593,4 0.772,5 4.124,6 2.511,8 4.21,9 3.84,10 6,11 51.593,12 51.593,13 3.595,14 3.145,15 2.048,16 3.146,17 4.262,18 3.003,19 12.984,20 117.711,21 51.593,22 117.711,23 117.711,24 117.711,25 117.711,26 0.2,27 4.758,28 2.48,29 3.265,30 0.857,31 1.308,32 3.107,33 117.711,34 117.711,35 1.685,36 0.701,37 6.149,38 3.966,39 3.115,40 2.787,41 5.913,42 1.422,44 13.144,46 0.582,47 1,48 3.225,49 4.322,50 1.084,51 203.078,52 2.044,53 0.4,54 0.002,55 -0.213,56 12.705,57 1.06,58 1,60 4.883,62 1.351,63 5.9}
{0 CHEMBL1258987,1 2.256,2 8.012,3 160.242,4 2.256,5 5.358,6 4.382,7 6,8 7.491,9 19.532,10 15,11 160.242,12 160.242,13 5.275,14 4.338,15 3.159,16 4.391,17 5.308,18 4.417,19 43.116,20 306.049,21 128.022,22 306.049,23 306.049,24 306.049,25 306.049,26 1.908,27 21.281,28 14.809,29 33.017,30 12.606,31 17.837,32 7.101,33 314.726,34 282.506,35 3.183,36 2.1,37 17.527,38 16.73,39 15.348,40 4.384,41 21.96,42 1.934,43 2,44 23.709,45 0.3,46 1.503,48 4.853,49 13.386,50 0.713,51 306.049,52 4.131,53 0.916,54 0.232,55 0.112,56 34.675,57 1.682,58 4,59 0.8,60 11.91,61 0.172,62 2.898,63 9.699}
{0 CHEMBL1258988,1 2.256,2 8.012,3 149.908,4 2.256,5 5.299,6 4.349,7 8,8 7.453,9 18.804,10 14,11 149.908,12 149.908,13 5.253,14 4.261,15 3.132,16 4.355,17 5.292,18 4.375,19 42.686,20 294.278,21 117.689,22 294.278,23 294.278,24 294.278,25 294.278,26 1.856,27 19.876,28 14.021,29 32.919,30 11.159,31 15.85,32 6.737,33 314.726,34 273.063,35 3.181,36 2.095,37 16.651,38 15.54,39 14.333,40 4.352,41 20.465,42 1.93,43 2,44 23.709,45 0.3,46 1.495,48 4.813,49 12.776,50 0.701,51 294.278,52 4.149,53 0.916,54 0.242,55 0.103,56 33.52,57 1.676,58 4,59 0.8,60 11.335,61 0.172,62 2.898,63 8.921}
{0 CHEMBL1259005,1 2.256,2 8.012,3 192.337,4 2.256,5 5.33,6 4.434,7 4,8 7.756,9 20.262,10 16,11 192.337,12 192.337,13 5.252,14 4.375,15 3.151,16 4.436,17 5.288,18 4.45,19 45.279,20 306.049,21 128.84,22 306.049,23 306.049,24 306.049,25 306.049,26 1.889,27 21.918,28 16.26,29 38.792,30 15.287,31 19.217,32 7.344,33 369.546,34 282.506,35 3.178,36 2.075,37 18.302,38 17.727,39 16.529,40 4.424,41 22.239,42 1.924,43 2,44 22.679,45 0.3,46 1.499,48 5.143,49 14.947,50 0.707,51 306.049,52 4.245,53 0.916,54 0.226,55 0.027,56 38.999,57 1.681,58 4,59 0.8,60 12.722,61 0.172,62 2.914,63 9.143}
{0 CHEMBL1259006,1 2.236,2 8.05,3 170.798,4 2.236,5 5.322,6 4.383,7 6,8 7.71,9 19.695,10 17,11 170.798,12 170.798,13 5.228,14 4.356,15 3.012,16 4.391,17 5.278,18 4.403,19 42.042,20 294.278,21 138.579,22 294.278,23 294.278,24 294.278,25 294.278,26 1.828,27 21.162,28 14.927,29 33.727,30 12.957,31 17.649,32 6.922,33 314.726,34 270.735,35 3.15,36 2.038,37 17.403,38 16.248,39 15.448,40 4.391,41 21.106,42 1.945,43 2,44 21.209,45 0.271,46 1.493,48 4.939,49 13.372,50 0.785,51 294.278,52 4.13,53 0.916,54 0.15,55 0.093,56 34.377,57 1.736,58 4,59 0.8,60 11.706,61 0.172,62 2.823,63 8.796}
{0 CHEMBL1259023,1 2.236,2 8.05,3 170.798,4 2.236,5 5.338,6 4.387,7 5,8 7.71,9 19.624,10 17,11 170.798,12 170.798,13 5.233,14 4.356,15 3.009,16 4.4,17 5.288,18 4.413,19 42.347,20 294.278,21 138.579,22 294.278,23 294.278,24 294.278,25 294.278,26 1.848,27 21.358,28 14.99,29 33.069,30 13.164,31 18.132,32 6.922,33 302.955,34 270.735,35 3.151,36 2.039,37 17.574,38 16.589,39 15.578,40 4.393,41 21.569,42 1.945,43 2,44 21.209,45 0.271,46 1.492,48 4.939,49 13.507,50 0.763,51 294.278,52 4.123,53 0.916,54 0.172,55 0.118,56 34.155,57 1.732,58 4,59 0.8,60 11.701,61 0.172,62 2.823,63 9.585}
{0 CHEMBL1259024,1 2.236,2 8.05,3 170.798,4 2.236,5 5.347,6 4.389,7 6,8 7.71,9 19.82,10 17,11 170.798,12 170.798,13 5.223,14 4.356,15 2.989,16 4.403,17 5.283,18 4.422,19 42.125,20 294.278,21 138.579,22 294.278,23 294.278,24 294.278,25 294.278,26 1.822,27 21.82,28 15.12,29 34.392,30 13.439,31 18.438,32 6.922,33 302.955,34 270.735,35 3.151,36 2.039,37 17.568,38 16.725,39 15.92,40 4.403,41 21.739,42 1.945,43 2,44 21.209,45 0.271,46 1.492,48 4.939,49 13.504,50 0.763,51 294.278,52 4.123,53 0.916,54 0.172,55 0.118,56 34.177,57 1.731,58 4,59 0.8,60 11.701,61 0.172,62 2.823,63 8.721}
{0 CHEMBL1259042,1 2.236,2 8.05,3 160.464,4 2.236,5 5.325,6 4.363,7 6,8 7.672,9 18.758,10 16,11 160.464,12 160.464,13 5.219,14 4.271,15 2.995,16 4.379,17 5.28,18 4.393,19 42.072,20 282.506,21 128.245,22 282.506,23 282.506,24 282.506,25 282.506,26 1.845,27 20.583,28 14.39,29 31.636,30 12.208,31 17.084,32 6.557,33 279.413,34 258.964,35 3.15,36 2.036,37 16.861,38 16.181,39 14.993,40 4.369,41 21.017,42 1.945,43 2,44 21.209,45 0.271,46 1.491,48 4.897,49 13.064,50 0.723,51 282.506,52 4.125,53 0.916,54 0.212,55 0.153,56 32.698,57 1.701,58 4,59 0.8,60 11.055,61 0.172,62 2.823,63 9.77}
{0 CHEMBL1259043,1 2.236,2 8.05,3 181.132,4 2.236,5 5.35,6 4.411,7 5,8 7.749,9 20.483,10 18,11 181.132,12 181.132,13 5.247,14 4.45,15 3.015,16 4.423,17 5.303,18 4.435,19 42.883,20 306.049,21 148.912,22 306.049,23 306.049,24 306.049,25 306.049,26 1.844,27 22.129,28 15.588,29 34.428,30 14.115,31 19.18,32 7.288,33 338.268,34 282.506,35 3.151,36 2.042,37 18.462,38 17.095,39 16.16,40 4.417,41 22.264,42 1.946,43 2,44 21.209,45 0.271,46 1.493,48 4.98,49 14.095,50 0.789,51 306.049,52 4.12,53 0.916,54 0.146,55 0.068,56 35.359,57 1.775,58 4,59 0.8,60 12.403,61 0.172,62 2.823,63 9.398}
{0 CHEMBL1259062,1 2.246,2 8.105,3 183.667,4 2.246,5 5.434,6 4.471,7 5,8 7.986,9 22.619,10 18,11 183.667,12 183.667,13 5.302,14 4.541,15 3.202,16 4.475,17 5.371,18 4.506,19 45.368,20 329.591,21 151.447,22 329.591,23 329.591,24 329.591,25 329.591,26 1.943,27 24.165,28 17.069,29 39.531,30 15.589,31 20.712,32 7.848,33 361.81,34 306.049,35 3.168,36 2.079,37 19.448,38 18.221,39 17.562,40 4.489,41 23.931,42 1.946,43 2,44 22.679,45 0.401,46 1.513,48 5.214,49 14.751,50 0.766,51 329.591,52 4.159,53 0.916,54 0.18,55 0.033,56 36.846,57 1.791,58 4,59 0.8,60 13.421,61 0.172,62 3.021,63 8.31}
{0 CHEMBL1259063,1 2.26,2 8.112,3 183.667,4 2.26,5 5.401,6 4.463,7 6,8 7.986,9 21.798,10 18,11 183.667,12 183.667,13 5.324,14 4.541,15 3.199,16 4.47,17 5.376,18 4.488,19 45.577,20 329.591,21 151.447,22 329.591,23 329.591,24 329.591,25 329.591,26 1.968,27 23.35,28 16.478,29 36.067,30 14.917,31 20.368,32 7.848,33 361.81,34 306.049,35 3.216,36 2.183,37 19.448,38 18.233,39 16.984,40 4.466,41 23.935,42 1.946,43 2,44 22.679,45 0.321,46 1.513,48 5.214,49 14.751,50 0.766,51 329.591,52 4.16,53 0.916,54 0.18,55 0.023,56 36.838,57 1.795,58 4,59 0.8,60 13.421,61 0.172,62 2.885,63 9.022}
{0 CHEMBL1259079,1 2.282,2 8.12,3 183.667,4 2.282,5 5.406,6 4.44,7 5,8 7.986,9 20.984,10 18,11 183.667,12 183.667,13 5.28,14 4.541,15 3.194,16 4.47,17 5.376,18 4.484,19 45.57,20 329.591,21 151.447,22 329.591,23 329.591,24 329.591,25 329.591,26 1.913,27 23.355,28 15.9,29 37.015,30 15.216,31 20.778,32 7.848,33 361.81,34 306.049,35 3.259,36 2.231,37 19.448,38 18.233,39 16.996,40 4.448,41 23.935,42 1.946,43 2,44 22.679,45 0.357,46 1.511,48 5.214,49 14.751,50 0.766,51 329.591,52 4.153,53 0.916,54 0.18,55 0.023,56 36.838,57 1.797,58 4,59 0.8,60 13.421,61 0.172,62 2.858,63 9.086}
{0 CHEMBL1259080,1 2.295,2 8.165,3 186.201,4 2.295,5 5.534,6 4.52,7 6,8 8.224,9 23.901,10 18,11 186.201,12 186.201,13 5.375,14 4.626,15 3.206,16 4.523,17 5.433,18 4.57,19 47.851,20 353.133,21 153.982,22 353.133,23 353.133,24 353.133,25 353.133,26 2.067,27 26.572,28 17.938,29 41.193,30 16.397,31 21.922,32 8.403,33 385.353,34 329.591,35 3.262,36 2.219,37 20.453,38 19.363,39 19.242,40 4.549,41 25.615,42 1.947,43 2,44 23.288,45 0.451,46 1.525,48 5.448,49 15.426,50 0.746,51 353.133,52 4.198,53 0.916,54 0.211,56 38.366,57 1.808,58 4,59 0.8,60 14.409,61 0.172,62 3.153,63 8.921}
{0 CHEMBL1259097,1 2.25,2 8.158,3 186.201,4 2.25,5 5.506,6 4.541,7 5,8 8.224,9 25.878,10 18,11 186.201,12 186.201,13 5.354,14 4.626,15 3.202,16 4.523,17 5.434,18 4.576,19 47.893,20 353.133,21 153.982,22 353.133,23 353.133,24 353.133,25 353.133,26 2.044,27 26.216,28 19.36,29 44.588,30 17.055,31 22.276,32 8.403,33 385.353,34 329.591,35 3.173,36 2.088,37 20.453,38 19.362,39 18.969,40 4.572,41 25.611,42 1.947,43 2,44 25.62,45 0.531,46 1.513,48 5.448,49 15.426,50 0.746,51 353.133,52 4.198,53 0.916,54 0.211,56 38.366,57 1.803,58 4,59 0.8,60 14.409,61 0.172,62 3.165,63 8.161}
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{0 CHEMBL1259203,1 2.242,2 8.754,3 145.923,4 2.242,5 5.198,6 4.224,7 8,8 7.513,9 15.752,10 18,11 145.923,12 145.923,13 5.111,14 4.271,15 3.002,16 4.255,17 5.23,18 4.276,19 32.467,20 270.735,21 145.923,22 270.735,23 285.695,24 270.735,25 270.735,26 1.75,27 17.791,28 11.402,29 31.074,30 11.898,31 16.594,32 6.211,33 223.651,34 238.611,35 3.171,36 2.073,37 15.336,38 13.03,39 12.411,40 4.247,41 18.145,42 1.964,43 1,44 21.641,45 0.279,46 1.46,48 4.709,49 11.393,50 0.848,51 270.735,52 4.002,54 0.101,55 0.015,56 27.445,57 1.771,58 2,60 10.552,62 2.79,63 8.721}
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{0 CHEMBL12713,1 2.323,2 8.106,3 120.641,4 2.323,5 5.358,6 4.308,7 6,8 8.812,9 18.752,10 14,11 159.79,12 159.79,13 5.291,14 4.215,15 3.069,16 4.319,17 5.322,18 4.325,19 38.433,20 294.278,21 120.641,22 294.278,23 309.238,24 294.278,25 294.278,26 1.793,27 20.092,28 13.614,29 44.723,30 13.4,31 18.309,32 6.873,33 282.506,34 262.153,35 3.25,36 2.151,37 17.67,38 14.147,39 13.932,40 4.307,41 19.278,42 1.907,43 2,44 32.621,45 0.348,46 1.513,48 5.914,49 13.073,50 0.895,51 358.571,52 4.129,53 0.8,54 0.043,55 -0.001,56 37.025,57 1.745,58 6,59 0.563,60 12.187,61 0.075,62 2.918,63 9.481}
{0 CHEMBL133451,1 1.781,2 6.313,3 55.221,4 1.781,5 4.949,6 3.818,8 5.502,9 12.595,10 6,11 55.221,12 55.221,13 4.868,14 3.588,15 2.717,16 3.882,17 4.821,18 3.911,19 24.273,20 188.338,21 49.414,22 188.338,23 188.338,24 188.338,25 188.338,26 0.885,27 12.667,28 10.015,29 19.816,30 4.781,31 6.599,32 4.954,33 188.338,34 188.338,35 2.758,36 1.736,37 11.317,38 8.621,39 9.922,40 3.945,41 11.417,42 1.682,44 16.289,45 0.148,46 1.073,47 1,48 3.843,49 8.337,50 1.185,51 275.334,52 3.64,53 0.368,54 -0.098,55 -0.145,56 25.063,57 1.49,58 2,59 0.265,60 9.132,62 2.562,63 4.76}
{0 CHEMBL136560,1 0.605,3 59.392,4 0.605,5 4.042,6 2.412,8 3.51,9 3.896,10 6,11 59.392,12 59.392,13 3.307,14 3.193,15 1.802,16 3.157,17 4.309,18 3.006,19 13.172,20 117.711,21 59.392,22 117.711,23 117.711,24 117.711,25 117.711,26 0.137,27 4.891,28 2.463,29 0.97,30 0.301,31 0.498,32 3.212,33 117.711,34 82.398,35 1.524,36 0.55,37 6.375,38 4.135,39 3.188,40 2.774,41 6.091,42 1.269,44 8.174,46 0.52,48 2.629,49 4.311,50 1.196,51 160.394,52 1.577,54 -0.082,55 -0.285,56 12.64,57 0.933,60 5.192,62 1,63 5.018}
{0 CHEMBL1437,1 0.286,3 33.72,4 0.286,5 4.02,6 2.129,8 3.644,9 2.618,10 6,11 33.72,12 33.72,13 3.229,14 2.905,15 2.06,16 3.07,17 4.168,18 2.903,19 12.597,20 70.627,21 33.72,22 70.627,23 70.627,24 70.627,25 70.627,26 0.106,27 4.265,28 1.599,29 2.45,30 0.356,31 0.697,32 2.511,33 70.627,34 70.627,35 1.196,36 0.258,37 5.297,38 3.412,39 2.618,40 2.607,41 4.949,42 1.234,44 9.991,46 0.613,48 2.78,49 3.841,50 1.277,51 198.677,52 2.117,54 -0.087,55 -0.318,56 11.998,57 0.84,58 1,60 4.17,62 1.611,63 6.58}
{0 CHEMBL2,1 2.203,2 7.545,3 109.418,4 2.203,5 5.106,6 3.938,7 3,8 7.852,9 12.504,10 12,11 109.418,12 109.418,13 5.066,14 3.93,15 3.198,16 3.977,17 5.018,18 3.995,19 26.205,20 223.651,21 109.418,22 223.651,23 223.651,24 223.651,25 223.651,26 1.228,27 11.803,28 8.721,29 23.665,30 6.099,31 9.415,32 5.073,33 211.88,34 223.651,35 3.157,36 2.094,37 10.295,38 8.186,39 8.518,40 3.972,41 11.24,42 1.696,43 2,44 32.388,45 0.231,46 1.437,48 5.283,49 7.489,50 0.773,51 280.303,52 3.785,53 0.86,54 0.205,55 -0.069,56 23.145,57 1.473,58 4,59 0.86,60 8.279,61 0.8,62 2.778,63 9.081}
{0 CHEMBL2111710,1 1.618,2 6.687,3 78.581,4 1.618,5 4.84,6 3.69,8 5.133,9 11.168,10 9,11 78.581,12 78.581,13 4.641,14 3.501,15 2.66,16 3.836,17 4.737,18 3.873,19 21.664,20 176.567,21 72.773,22 176.567,23 176.567,24 176.567,25 176.567,26 0.788,27 11.623,28 8.938,29 15.937,30 4.105,31 5.392,32 4.493,33 153.024,34 176.567,35 2.618,36 1.618,37 10.545,38 8.467,39 9.189,40 3.871,41 11.088,42 1.71,44 14.834,45 0.117,46 1.094,47 1,48 3.465,49 8.057,50 1.163,51 220.879,52 3.528,54 -0.104,55 -0.136,56 21.759,57 1.507,60 8.331,62 2.166,63 5.35}
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{0 CHEMBL2326175,1 2.252,2 8.753,3 135.367,4 2.252,5 5.169,6 4.219,7 9,8 7.309,9 16.087,10 16,11 135.367,12 135.367,13 5.163,14 4.258,15 3.084,16 4.227,17 5.243,18 4.255,19 33.114,20 282.506,21 135.367,22 282.506,23 297.467,24 282.506,25 282.506,26 1.795,27 17.12,28 11.521,29 31.717,30 10.638,31 15.409,32 6.393,33 258.964,34 252.71,35 3.192,36 2.115,37 15.076,38 12.375,39 11.813,40 4.228,41 17.627,42 1.918,43 1,44 24.141,45 0.356,46 1.464,48 4.633,49 10.949,50 0.825,51 282.506,52 4.018,54 0.136,55 0.002,56 28.199,57 1.745,58 2,60 10.833,62 2.818,63 8.194}
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{0 CHEMBL287965,1 2.196,2 7.475,3 139.681,4 2.196,5 5.359,6 4.112,7 6,8 7.908,9 16.935,10 13,11 139.681,12 139.681,13 5.119,14 4.158,15 3.113,16 4.393,17 5.353,18 4.384,19 41.443,20 270.735,21 108.404,22 270.735,23 270.735,24 270.735,25 270.735,26 1.454,27 18.592,28 12.769,29 31.561,30 10.475,31 12.877,32 6.45,33 278.471,34 247.193,35 3.153,36 2.096,37 16.767,38 15.307,39 14.364,40 4.25,41 19.276,42 1.908,43 2,44 32.482,45 0.315,46 1.5,48 5.012,49 13.323,50 0.764,51 332.025,52 3.981,53 1.058,54 0.196,55 0.014,56 34.519,57 1.686,58 4,59 0.86,60 11.755,61 0.8,62 3.083,63 8.334}
{0 CHEMBL288530,1 2.196,2 7.475,3 129.348,4 2.196,5 5.346,6 4.096,7 5,8 7.873,9 16.799,10 12,11 129.348,12 129.348,13 5.133,14 4.081,15 3.127,16 4.346,17 5.319,18 4.353,19 38.509,20 258.964,21 98.07,22 258.964,23 258.964,24 258.964,25 258.964,26 1.451,27 18.202,28 12.503,29 30.277,30 9.873,31 11.953,32 6.085,33 266.7,34 235.422,35 3.147,36 2.086,37 15.642,38 14.603,39 14.122,40 4.235,41 18.292,42 1.897,43 2,44 32.482,45 0.315,46 1.497,48 4.975,49 12.245,50 0.802,51 320.254,52 3.971,53 1.058,54 0.158,55 0.014,56 32.827,57 1.665,58 4,59 0.86,60 11.022,61 0.8,62 3.083,63 7.903}
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{0 CHEMBL288809,1 2.196,2 7.475,3 121.534,4 2.196,5 5.419,6 4.129,7 7,8 7.731,9 17.603,10 14,11 121.534,12 121.534,13 5.174,14 4.329,15 3.214,16 4.385,17 5.416,18 4.377,19 40.591,20 282.506,21 121.534,22 282.506,23 282.506,24 282.506,25 282.506,26 1.467,27 19.466,28 12.525,29 27.5,30 8.984,31 12.662,32 6.895,33 282.506,34 258.964,35 3.17,36 2.143,37 17.978,38 14.336,39 13.748,40 4.265,41 19.776,42 1.98,43 2,44 32.482,45 0.315,46 1.517,48 4.827,49 13.217,50 0.902,51 343.796,52 3.938,53 1.058,54 0.094,55 -0.001,56 33.706,57 1.692,58 4,59 0.86,60 12.574,61 0.8,62 3.083,63 8.648}
{0 CHEMBL289166,1 2.31,2 7.846,3 160.326,4 2.31,5 5.401,6 4.178,7 7,8 8.462,9 17.549,10 14,11 160.326,12 160.326,13 5.17,14 4.224,15 3.247,16 4.457,17 5.386,18 4.469,19 41.118,20 270.735,21 129.049,22 270.735,23 270.735,24 270.735,25 270.735,26 1.573,27 19.234,28 13.505,29 31.264,30 10.955,31 13.193,32 6.472,33 302.013,34 247.193,35 3.263,36 2.185,37 17.259,38 16.064,39 15.356,40 4.342,41 19.76,42 1.922,43 2,44 36.3,45 0.315,46 1.501,48 5.409,49 13.913,50 0.768,51 332.025,52 4.08,53 1.725,54 0.189,55 0.036,56 34.757,57 1.689,58 4,59 1.058,60 11.986,61 0.86,62 3.338,63 7.446}
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{0 CHEMBL289437,1 2.33,2 7.559,3 133.706,4 2.33,5 5.352,6 4.154,7 5,8 8.312,9 17.292,10 13,11 172.854,12 172.854,13 5.142,14 4.051,15 3.127,16 4.422,17 5.34,18 4.408,19 40.875,20 258.964,21 102.428,22 258.964,23 258.964,24 258.964,25 258.964,26 1.479,27 18.536,28 13.471,29 33.353,30 10.753,31 12.567,32 6.107,33 278.471,34 235.422,35 3.251,36 2.126,37 16.274,38 15.363,39 14.886,40 4.277,41 18.686,42 1.898,43 2,44 33.123,45 0.315,46 1.499,48 5.41,49 13.454,50 0.731,51 359.403,52 4.147,53 1.058,54 0.193,55 0.008,56 37.813,57 1.689,58 4,59 0.86,60 11.314,61 0.8,62 3.247,63 7.21}
{0 CHEMBL289627,1 2.376,2 7.833,3 160.326,4 2.376,5 5.394,6 4.18,7 7,8 8.462,9 17.441,10 14,11 160.326,12 160.326,13 5.176,14 4.224,15 3.217,16 4.461,17 5.387,18 4.465,19 42.522,20 270.735,21 129.049,22 270.735,23 270.735,24 270.735,25 270.735,26 1.595,27 19.254,28 13.456,29 31.584,30 10.973,31 13.197,32 6.472,33 302.013,34 247.193,35 3.345,36 2.297,37 17.246,38 16.128,39 15.312,40 4.325,41 19.797,42 1.923,43 2,44 34.826,45 0.315,46 1.502,48 5.409,49 13.899,50 0.768,51 332.025,52 4.078,53 1.725,54 0.189,55 0.036,56 34.301,57 1.693,58 4,59 1.058,60 11.986,61 0.86,62 3.338,63 7.57}
{0 CHEMBL289758,1 2.189,2 7.386,3 155.084,4 2.189,5 5.462,6 4.232,7 4,8 9.066,9 20.428,10 14,11 155.084,12 155.084,13 5.271,14 4.425,15 3.215,16 4.488,17 5.473,18 4.485,19 47.277,20 329.591,21 123.807,22 329.591,23 329.591,24 329.591,25 329.591,26 1.646,27 21.84,28 15.326,29 31.859,30 11.479,31 15.635,32 7.953,33 360.869,34 258.964,35 3.147,36 2.097,37 20.446,38 17.386,39 16.713,40 4.376,41 22.472,42 1.938,43 2,44 33.517,45 0.209,46 1.556,48 5.922,49 15.589,50 0.836,51 390.881,52 3.942,53 1.058,54 0.142,55 0.014,56 41.329,57 1.715,58 4,59 0.86,60 14.537,61 0.8,62 3.082,63 8.002}
{0 CHEMBL290243,1 2.534,2 7.667,3 134.417,4 2.534,5 5.464,6 4.229,7 6,8 8.368,9 18.692,10 12,11 134.417,12 134.417,13 5.235,14 4.276,15 3.225,16 4.428,17 5.425,18 4.461,19 42.857,20 306.049,21 103.139,22 306.049,23 306.049,24 306.049,25 306.049,26 1.627,27 21.362,28 14.096,29 36.841,30 11.017,31 13.384,32 7.223,33 337.326,34 282.506,35 3.49,36 2.418,37 17.064,38 15.795,39 16.48,40 4.369,41 20.377,42 1.929,43 2,44 34.561,45 0.365,46 1.545,48 5.436,49 12.94,50 0.797,51 367.338,52 4.072,53 1.058,54 0.181,55 -0.005,56 36.555,57 1.683,58 4,59 0.86,60 13.134,61 0.8,62 3.175,63 7.857}
{0 CHEMBL290387,1 2.312,2 7.572,3 123.372,4 2.312,5 5.345,6 4.13,7 5,8 8.276,9 16.853,10 12,11 162.521,12 162.521,13 5.132,14 3.973,15 3.126,16 4.368,17 5.318,18 4.375,19 37.695,20 247.193,21 92.094,22 247.193,23 247.193,24 247.193,25 247.193,26 1.44,27 18.144,28 13.021,29 30.558,30 10.143,31 11.85,32 5.744,33 266.7,34 223.651,35 3.211,36 2.099,37 15.257,38 14.869,39 14.74,40 4.275,41 18.056,42 1.885,43 2,44 33.123,45 0.34,46 1.493,48 5.372,49 12.398,50 0.774,51 347.632,52 4.078,53 1.058,54 0.149,55 0.006,56 32.491,57 1.666,58 4,59 0.86,60 10.566,61 0.8,62 3.154,63 7.455}
{0 CHEMBL290388,1 2.591,2 7.836,3 148.429,4 2.591,5 5.453,6 4.24,7 7,8 8.787,9 18.369,10 14,11 148.429,12 148.429,13 5.228,14 4.269,15 3.245,16 4.476,17 5.435,18 4.48,19 44.201,20 270.735,21 117.152,22 270.735,23 270.735,24 270.735,25 270.735,26 1.658,27 20.525,28 14.072,29 34.996,30 11.47,31 14.154,32 6.887,33 302.013,34 247.193,35 3.576,36 2.531,37 17.984,38 16.641,39 15.962,40 4.369,41 20.678,42 1.93,43 2,44 34.833,45 0.406,46 1.503,48 5.725,49 14.475,50 0.787,51 357.17,52 4.211,53 1.058,54 0.193,55 -0.031,56 36.719,57 1.69,58 4,59 0.98,60 12.854,61 0.86,62 3.335,63 8.198}
{0 CHEMBL290519,1 2.713,2 7.952,3 165.222,4 2.713,5 5.506,6 4.365,7 7,8 9.59,9 21.694,10 14,11 165.222,12 165.222,13 5.339,14 4.445,15 3.283,16 4.546,17 5.551,18 4.558,19 51.125,20 341.362,21 133.944,22 341.362,23 341.362,24 341.362,25 341.362,26 1.85,27 22.166,28 16.112,29 44.369,30 13.766,31 16.477,32 8.042,33 372.64,34 317.82,35 3.675,36 2.604,37 20.004,38 18.349,39 16.97,40 4.465,41 23.185,42 1.937,43 3,44 37.145,45 0.529,46 1.566,48 6.399,49 15.688,50 0.705,51 427.797,52 4.282,53 1.2,54 0.27,55 -0.009,56 39.993,57 1.69,58 4,59 1.058,60 14.391,61 0.86,62 3.336,63 8.77}
{0 CHEMBL291073,1 2.603,2 7.831,3 148.429,4 2.603,5 5.453,6 4.22,7 7,8 8.787,9 18.497,10 14,11 148.429,12 148.429,13 5.198,14 4.269,15 3.231,16 4.476,17 5.435,18 4.485,19 43.774,20 270.735,21 117.152,22 270.735,23 270.735,24 270.735,25 270.735,26 1.608,27 20.569,28 14.255,29 34.63,30 11.244,31 13.767,32 6.887,33 302.013,34 247.193,35 3.592,36 2.556,37 17.984,38 16.646,39 16.146,40 4.368,41 20.669,42 1.931,43 2,44 34.833,45 0.477,46 1.505,48 5.725,49 14.475,50 0.787,51 357.17,52 4.106,53 1.058,54 0.193,55 -0.031,56 36.719,57 1.692,58 4,59 0.98,60 12.854,61 0.86,62 3.335,63 9.066}
{0 CHEMBL291154,1 2.276,2 7.565,3 144.04,4 2.276,5 5.372,6 4.157,7 6,8 8.348,9 17.432,10 14,11 183.188,12 183.188,13 5.144,14 4.134,15 3.132,16 4.452,17 5.365,18 4.458,19 46.555,20 270.735,21 112.762,22 270.735,23 270.735,24 270.735,25 270.735,26 1.503,27 19.215,28 13.665,29 34.052,30 11.227,31 13.266,32 6.472,33 302.013,34 247.193,35 3.209,36 2.119,37 17.326,38 16.457,39 15.61,40 4.312,41 19.785,42 1.91,43 2,44 34.389,45 0.315,46 1.501,48 5.449,49 14.119,50 0.736,51 371.174,52 4.16,53 1.058,54 0.187,55 0.003,56 36.186,57 1.689,58 4,59 0.86,60 12.016,61 0.8,62 3.274,63 8.502}
{0 CHEMBL291262,1 2.196,2 7.475,3 139.681,4 2.196,5 5.36,6 4.112,7 6,8 7.908,9 16.962,10 13,11 139.681,12 139.681,13 5.134,14 4.158,15 3.131,16 4.383,17 5.347,18 4.385,19 41.012,20 270.735,21 108.404,22 270.735,23 270.735,24 270.735,25 270.735,26 1.475,27 18.691,28 12.77,29 30.91,30 10.343,31 12.629,32 6.45,33 290.242,34 247.193,35 3.152,36 2.094,37 16.629,38 15.37,39 14.566,40 4.256,41 19.175,42 1.908,43 2,44 32.482,45 0.315,46 1.497,48 5.012,49 13.047,50 0.805,51 332.025,52 3.974,53 1.058,54 0.154,55 0.01,56 33.746,57 1.674,58 4,59 0.86,60 11.721,61 0.8,62 3.083,63 8.213}
{0 CHEMBL295741,1 2.312,2 7.572,3 133.706,4 2.312,5 5.352,6 4.153,7 6,8 8.312,9 17.295,10 13,11 172.854,12 172.854,13 5.142,14 4.051,15 3.126,16 4.405,17 5.341,18 4.401,19 40.158,20 258.964,21 102.428,22 258.964,23 258.964,24 258.964,25 258.964,26 1.471,27 18.543,28 13.463,29 31.325,30 10.617,31 12.555,32 6.107,33 290.242,34 235.422,35 3.217,36 2.109,37 16.266,38 15.346,39 15.083,40 4.296,41 18.685,42 1.899,43 2,44 33.123,45 0.34,46 1.5,48 5.41,49 13.257,50 0.758,51 359.403,52 4.076,53 1.058,54 0.165,55 0.002,56 34.691,57 1.689,58 4,59 0.86,60 11.311,61 0.8,62 3.154,63 8.382}
{0 CHEMBL296711,1 2.689,2 8.487,3 173.624,4 2.689,5 5.483,6 4.339,7 10,8 9.531,9 19.619,10 18,11 173.624,12 173.624,13 5.261,14 4.394,15 3.276,16 4.52,17 5.464,18 4.523,19 43.391,20 306.049,21 142.346,22 306.049,23 306.049,24 306.049,25 306.049,26 1.806,27 20.865,28 15.381,29 35.242,30 11.984,31 14.201,32 7.24,33 325.555,34 282.506,35 3.655,36 2.582,37 18.503,38 16.72,39 16.585,40 4.439,41 21.003,42 1.959,43 2,44 32.482,45 0.492,46 1.56,48 5.995,49 14.472,50 0.833,51 367.338,52 4.246,53 1.058,54 0.118,55 0.004,56 37.568,57 1.72,58 4,59 0.86,60 13.011,61 0.8,62 3.12,63 5.732}
{0 CHEMBL297218,1 2.331,2 7.565,3 131.882,4 2.331,5 5.377,6 4.15,7 6,8 8.12,9 17.572,10 12,11 131.882,12 131.882,13 5.175,14 4.181,15 3.182,16 4.385,17 5.377,18 4.403,19 40.875,20 282.506,21 100.604,22 282.506,23 282.506,24 282.506,25 282.506,26 1.536,27 19.238,28 12.971,29 33.704,30 10.636,31 13.047,32 6.657,33 302.013,34 258.964,35 3.282,36 2.212,37 16.344,38 15.186,39 15.18,40 4.295,41 19.362,42 1.917,43 2,44 33.952,45 0.34,46 1.517,48 5.205,49 12.591,50 0.799,51 343.796,52 4.017,53 1.058,54 0.17,55 0.004,56 34.653,57 1.678,58 4,59 0.86,60 12.098,61 0.8,62 3.108,63 7.87}
{0 CHEMBL303313,1 2.086,2 7.332,3 130.88,4 2.086,5 5.162,6 4.159,7 4,8 6.481,9 16.107,10 12,11 170.029,12 170.029,13 4.96,14 3.976,15 2.911,16 4.247,17 5.126,18 4.243,19 39.693,20 247.193,21 98.661,22 247.193,23 247.193,24 247.193,25 247.193,26 1.254,27 18.086,28 12.531,29 30.693,30 9.254,31 12.188,32 5.794,33 279.413,34 223.651,35 2.949,36 1.711,37 15.148,38 14.704,39 13.673,40 4.207,41 18.586,42 1.904,43 2,44 22.821,45 0.226,46 1.149,48 4.374,49 11.931,50 0.706,51 286.342,52 3.963,53 0.916,54 0.195,55 0.022,56 32.13,57 1.671,58 4,59 0.8,60 9.982,61 0.172,62 2.866,63 9.658}
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{0 CHEMBL317333,1 2.307,2 8.777,3 158.769,4 2.307,5 5.294,6 4.329,7 10,8 9.007,9 18.433,10 18,11 158.769,12 158.769,13 5.202,14 4.355,15 3.146,16 4.3,17 5.263,18 4.342,19 33.086,20 282.506,21 158.769,22 282.506,23 297.467,24 282.506,25 282.506,26 1.893,27 19.853,28 13.243,29 31.66,30 11.581,31 16.028,32 6.462,33 247.193,34 252.71,35 3.248,36 2.161,37 15.943,38 12.991,39 13.978,40 4.364,41 17.884,42 1.966,43 1,44 23.274,45 0.31,46 1.513,48 5.776,49 11.746,50 0.985,51 282.506,52 4.101,53 0.8,54 -0.03,55 0.049,56 30.549,57 1.772,58 3,60 11.172,62 2.886,63 8.337}
{0 CHEMBL317912,1 1.414,2 6.183,3 62.826,4 1.414,5 4.587,6 3.093,8 3.853,9 7.071,10 9,11 62.826,12 62.826,13 3.945,14 3.447,15 2.414,16 3.64,17 4.552,18 3.595,19 16.885,20 141.253,21 62.826,22 141.253,23 141.253,24 141.253,25 141.253,26 0.37,27 8.7,28 4.712,29 4.251,30 1.188,31 1.777,32 3.699,33 117.711,34 141.253,35 2.38,36 1.364,37 9.361,38 6.485,39 6.088,40 3.46,41 8.974,42 1.684,44 13.072,46 0.97,47 1,48 2.351,49 6.736,50 1.059,51 183.937,52 2.742,54 -0.038,55 -0.059,56 16.487,57 1.345,60 6.748,62 1.784,63 6.84}
{0 CHEMBL318901,1 2.552,2 8.823,3 184.01,4 2.552,5 5.565,6 4.558,7 13,8 10.919,9 22.357,10 22,11 184.01,12 184.01,13 5.556,14 4.567,15 3.309,16 4.558,17 5.558,18 4.578,19 44.935,20 341.362,21 184.01,22 341.362,23 356.322,24 341.362,25 341.362,26 2.547,27 22.866,28 16.452,29 46.441,30 16.098,31 22.094,32 7.865,33 317.82,34 311.566,35 3.506,36 2.432,37 19.513,38 16.443,39 16.524,40 4.558,41 22.058,42 2.028,43 2,44 41.151,45 0.502,46 1.524,48 6.948,49 14.807,50 0.892,51 391.652,52 4.394,53 1.058,54 0.064,55 -0.012,56 38.389,57 1.87,58 4,59 0.8,60 13.742,61 0.214,62 2.988,63 9.409}
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{0 CHEMBL320589,1 1.215,2 6.211,3 79.802,4 1.215,5 4.252,6 3.157,7 1,8 4.798,9 5.812,10 9,11 79.802,12 79.802,13 4.095,14 3.097,15 2.367,16 3.45,17 4.314,18 3.362,19 16.005,20 129.482,21 73.995,22 129.482,23 129.482,24 129.482,25 129.482,26 0.49,27 5.899,28 4.595,29 10.463,30 2.915,31 3.614,32 3.255,33 105.94,34 94.169,35 2.2,36 1.195,37 6.803,38 5.161,39 4.96,40 3.306,41 5.909,42 1.702,44 3.475,45 0.094,46 0.949,47 1,48 3.383,49 5.923,50 1.157,51 173.795,52 3.156,54 -0.088,55 -0.171,56 18.431,57 1.334,58 1,60 5.744,62 1.76,63 5}
{0 CHEMBL320765,1 1.685,2 6.884,3 83.65,4 1.685,5 4.951,6 3.901,8 5.958,9 13.247,10 9,11 83.65,12 83.65,13 4.911,14 3.791,15 2.835,16 3.97,17 4.929,18 3.994,19 27.41,20 223.651,21 77.842,22 223.651,23 223.651,24 223.651,25 223.651,26 1.078,27 13.386,28 10.264,29 23.521,30 7.215,31 10.03,32 5.596,33 211.88,34 188.338,35 2.654,36 1.63,37 12.468,38 9.714,39 10.228,40 3.986,41 12.876,42 1.788,44 17.775,45 0.158,46 1.163,47 1,48 4.175,49 9.47,50 1.134,51 267.964,52 3.709,54 -0.057,55 -0.137,56 28.623,57 1.515,58 1,60 10.198,62 2.497,63 5}
{0 CHEMBL321644,1 2.009,2 6.832,3 80.05,4 2.009,5 4.915,6 3.785,8 6.323,9 11.149,10 9,11 80.05,12 80.05,13 4.802,14 3.353,15 2.778,16 3.904,17 4.874,18 3.92,19 23.296,20 164.795,21 74.242,22 164.795,23 209.676,24 172.555,25 164.795,26 1.271,27 11.433,28 9.506,29 22.576,30 5.945,31 5.505,32 4.184,33 141.253,34 164.795,35 2.966,36 1.916,37 10.29,38 8.96,39 9.774,40 3.922,41 10.842,42 1.718,44 16.459,45 0.294,46 1.098,47 1,48 4.52,49 9.65,50 1.114,51 209.108,52 3.837,53 0.68,54 -0.043,55 -0.088,56 27.651,57 1.513,58 1,60 7.99,62 2.884,63 5}
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{0 CHEMBL323004,1 2.006,2 6.805,3 75.14,4 2.006,5 4.896,6 3.904,8 6.129,9 12.159,10 9,11 114.288,12 114.288,13 4.762,14 3.51,15 2.765,16 3.959,17 4.843,18 3.969,19 25.156,20 188.338,21 69.332,22 188.338,23 188.338,24 188.338,25 188.338,26 0.888,27 12.507,28 10.446,29 25.692,30 6.447,31 8.088,32 4.739,33 164.795,34 153.024,35 2.957,36 1.818,37 11.97,38 9.131,39 10.49,40 4.015,41 11.293,42 1.713,44 17.712,45 0.137,46 1.156,47 1,48 4.371,49 9.855,50 1.036,51 271.799,52 4.06,54 -0.027,55 -0.118,56 29.292,57 1.516,58 1,60 9.015,62 2.69,63 5}
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{0 CHEMBL325897,1 1.926,2 6.835,3 76.459,4 1.926,5 4.915,6 3.856,8 5.306,9 12.253,10 9,11 76.459,12 76.459,13 4.798,14 3.694,15 2.758,16 3.95,17 4.876,18 3.954,19 25.775,20 200.109,21 70.652,22 200.109,23 200.109,24 200.109,25 200.109,26 1.011,27 12.709,28 9.813,29 20.766,30 6.432,31 8.647,32 5.171,33 176.567,34 153.024,35 2.904,36 1.876,37 12.448,38 9.083,39 9.971,40 3.962,41 11.52,42 1.706,44 15.173,45 0.145,46 1.232,47 1,48 3.409,49 9.928,50 1.129,51 244.422,52 3.699,54 -0.077,55 -0.101,56 28.219,57 1.504,60 9.551,62 2.228,63 5}
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{0 CHEMBL39037,1 2.276,2 7.565,3 152.55,4 2.276,5 5.456,6 4.2,7 7,8 8.191,9 19.08,10 14,11 152.55,12 152.55,13 5.218,14 4.335,15 3.259,16 4.469,17 5.43,18 4.489,19 44.414,20 306.049,21 121.272,22 306.049,23 306.049,24 306.049,25 306.049,26 1.596,27 21.24,28 14.237,29 31.786,30 11.035,31 13.696,32 7.388,33 337.326,34 282.506,35 3.233,36 2.162,37 18.635,38 17.044,39 16.718,40 4.373,41 21.697,42 1.926,43 2,44 35.87,45 0.315,46 1.537,48 5.28,49 14.534,50 0.766,51 367.338,52 4.046,53 1.058,54 0.203,56 37.433,57 1.689,58 4,59 0.86,60 13.523,61 0.8,62 3.196,63 8.158}
{0 CHEMBL40310,1 2.312,2 7.572,3 152.55,4 2.312,5 5.422,6 4.216,7 7,8 8.191,9 18.526,10 14,11 152.55,12 152.55,13 5.205,14 4.335,15 3.211,16 4.464,17 5.436,18 4.465,19 45.247,20 306.049,21 121.272,22 306.049,23 306.049,24 306.049,25 306.049,26 1.593,27 20.503,28 14.33,29 34.593,30 11.223,31 13.599,32 7.388,33 337.326,34 282.506,35 3.284,36 2.239,37 18.634,38 17.027,39 15.782,40 4.344,41 21.746,42 1.929,43 2,44 33.952,45 0.34,46 1.523,48 5.28,49 14.534,50 0.766,51 367.338,52 4.03,53 1.058,54 0.203,55 -0.001,56 37.394,57 1.69,58 4,59 0.86,60 13.523,61 0.8,62 3.113,63 8.371}
{0 CHEMBL40564,1 2.192,2 7.416,3 152.55,4 2.192,5 5.407,6 4.175,7 9,8 8.499,9 19.043,10 14,11 152.55,12 152.55,13 5.153,14 4.335,15 3.163,16 4.452,17 5.424,18 4.451,19 44.887,20 306.049,21 121.272,22 306.049,23 306.049,24 306.049,25 306.049,26 1.518,27 20.708,28 14.323,29 30.921,30 10.744,31 13.92,32 7.388,33 337.326,34 258.964,35 3.151,36 2.099,37 19.054,38 16.654,39 16.045,40 4.332,41 21.2,42 1.928,43 2,44 36.017,45 0.286,46 1.534,48 5.479,49 14.74,50 0.812,51 367.338,52 3.939,53 1.058,54 0.156,55 0.01,56 38.695,57 1.702,58 4,59 0.86,60 13.512,61 0.8,62 3.082,63 7.839}
{0 CHEMBL40650,1 2.196,2 7.475,3 139.681,4 2.196,5 5.353,6 4.121,7 6,8 7.908,9 17.242,10 13,11 139.681,12 139.681,13 5.143,14 4.158,15 3.127,16 4.38,17 5.342,18 4.376,19 39.817,20 270.735,21 108.404,22 270.735,23 270.735,24 270.735,25 270.735,26 1.483,27 18.607,28 12.946,29 30.91,30 10.343,31 12.629,32 6.45,33 290.242,34 247.193,35 3.152,36 2.094,37 16.632,38 15.014,39 14.489,40 4.257,41 18.908,42 1.909,43 2,44 32.482,45 0.315,46 1.501,48 5.012,49 13.073,50 0.784,51 332.025,52 3.969,53 1.058,54 0.176,55 0.01,56 35.081,57 1.689,58 4,59 0.86,60 11.767,61 0.8,62 3.083,63 8.47}
{0 CHEMBL40754,1 2.196,2 7.475,3 139.681,4 2.196,5 5.365,6 4.111,7 6,8 7.908,9 17.019,10 13,11 139.681,12 139.681,13 5.114,14 4.158,15 3.126,16 4.39,17 5.351,18 4.387,19 40.108,20 270.735,21 108.404,22 270.735,23 270.735,24 270.735,25 270.735,26 1.448,27 18.859,28 12.847,29 31.174,30 10.402,31 12.853,32 6.45,33 278.471,34 247.193,35 3.153,36 2.096,37 16.722,38 15.281,39 14.72,40 4.261,41 19.273,42 1.908,43 2,44 32.482,45 0.315,46 1.496,48 5.012,49 13.165,50 0.764,51 332.025,52 3.98,53 1.058,54 0.196,55 0.014,56 34.797,57 1.68,58 4,59 0.86,60 11.755,61 0.8,62 3.083,63 8.478}
{0 CHEMBL40780,1 2.398,2 7.831,3 160.326,4 2.398,5 5.39,6 4.172,7 7,8 8.462,9 17.459,10 14,11 160.326,12 160.326,13 5.155,14 4.224,15 3.18,16 4.452,17 5.39,18 4.453,19 41.472,20 270.735,21 129.049,22 270.735,23 270.735,24 270.735,25 270.735,26 1.569,27 19.252,28 13.461,29 32.258,30 11.011,31 13.296,32 6.472,33 302.013,34 247.193,35 3.376,36 2.341,37 17.254,38 16.073,39 15.341,40 4.323,41 19.796,42 1.923,43 2,44 34.826,45 0.396,46 1.502,48 5.409,49 13.912,50 0.768,51 332.025,52 4.05,53 1.725,54 0.189,55 0.035,56 34.682,57 1.691,58 4,59 1.058,60 11.986,61 0.86,62 3.336,63 8.208}
{0 CHEMBL40819,1 2.591,2 7.91,3 143.296,4 2.591,5 5.409,6 4.192,7 7,8 8.752,9 17.195,10 14,11 143.296,12 143.296,13 5.19,14 4.165,15 3.248,16 4.447,17 5.416,18 4.447,19 43.054,20 270.735,21 112.018,22 270.735,23 270.735,24 270.735,25 270.735,26 1.559,27 19.023,28 13.521,29 33.722,30 10.928,31 13.175,32 6.469,33 302.013,34 247.193,35 3.544,36 2.464,37 17.023,38 16.246,39 15.052,40 4.32,41 19.64,42 1.95,43 2,44 37.625,45 0.406,46 1.502,48 5.687,49 13.932,50 0.796,51 382.772,52 4.223,53 1.725,54 0.184,55 0.022,56 34.649,57 1.69,58 4,59 1.058,60 11.963,61 0.86,62 3.336,63 8.071}
{0 CHEMBL40896,1 2.196,2 7.475,3 129.348,4 2.196,5 5.345,6 4.095,7 5,8 7.873,9 16.858,10 12,11 129.348,12 129.348,13 5.113,14 4.081,15 3.115,16 4.356,17 5.333,18 4.353,19 38.131,20 258.964,21 98.07,22 258.964,23 258.964,24 258.964,25 258.964,26 1.426,27 18.216,28 12.578,29 30.572,30 9.929,31 12.183,32 6.085,33 266.7,34 235.422,35 3.149,36 2.089,37 15.865,38 14.457,39 14.18,40 4.238,41 18.355,42 1.897,43 2,44 32.482,45 0.315,46 1.496,48 4.975,49 12.453,50 0.747,51 320.254,52 3.977,53 1.058,54 0.214,55 0.018,56 33.656,57 1.677,58 4,59 0.86,60 11.113,61 0.8,62 3.083,63 7.799}
{0 CHEMBL41155,1 2.378,2 7.836,3 160.326,4 2.378,5 5.389,6 4.191,7 7,8 8.462,9 17.438,10 14,11 160.326,12 160.326,13 5.163,14 4.224,15 3.205,16 4.452,17 5.39,18 4.448,19 41.928,20 270.735,21 129.049,22 270.735,23 270.735,24 270.735,25 270.735,26 1.572,27 19.215,28 13.504,29 32.308,30 10.988,31 13.237,32 6.472,33 302.013,34 247.193,35 3.35,36 2.303,37 17.254,38 16.087,39 15.276,40 4.328,41 19.81,42 1.923,43 2,44 34.826,45 0.361,46 1.502,48 5.409,49 13.912,50 0.768,51 332.025,52 4.105,53 1.725,54 0.189,55 0.035,56 34.682,57 1.69,58 4,59 1.058,60 11.986,61 0.86,62 3.336,63 7.845}
{0 CHEMBL41234,1 2.378,2 7.668,3 146.332,4 2.378,5 5.421,6 4.216,7 6,8 8.686,9 18.487,10 13,11 146.332,12 146.332,13 5.226,14 4.238,15 3.244,16 4.416,17 5.395,18 4.43,19 41.891,20 294.278,21 115.054,22 294.278,23 294.278,24 294.278,25 294.278,26 1.632,27 19.96,28 13.953,29 33.737,30 11.204,31 13.892,32 6.917,33 325.555,34 270.735,35 3.296,36 2.183,37 17.016,38 15.492,39 15.347,40 4.33,41 19.576,42 1.916,43 2,44 37.133,45 0.361,46 1.558,48 5.648,49 13.411,50 0.742,51 366.567,52 4.109,53 1.058,54 0.231,55 0.004,56 36.184,57 1.689,58 4,59 0.86,60 12.465,61 0.86,62 3.134,63 8.523}
{0 CHEMBL41332,1 2.254,2 7.473,3 150.015,4 2.254,5 5.36,6 4.091,7 8,8 7.944,9 15.745,10 14,11 150.015,12 150.015,13 5.09,14 4.24,15 3.134,16 4.417,17 5.367,18 4.401,19 41.986,20 282.506,21 118.738,22 282.506,23 282.506,24 282.506,25 282.506,26 1.446,27 19.161,28 12.137,29 31.581,30 11.156,31 13.749,32 6.816,33 313.784,34 258.964,35 3.191,36 2.112,37 17.661,38 16,39 14.789,40 4.245,41 20.36,42 1.917,43 2,44 34.726,45 0.371,46 1.512,48 5.05,49 13.929,50 0.787,51 343.796,52 3.96,53 1.058,54 0.172,55 0.004,56 35.988,57 1.689,58 4,59 0.86,60 12.466,61 0.8,62 3.083,63 6.924}
{0 CHEMBL41344,1 2.31,2 7.668,3 156.666,4 2.31,5 5.464,6 4.259,7 6,8 8.722,9 19.846,10 14,11 156.666,12 156.666,13 5.253,14 4.317,15 3.278,16 4.457,17 5.419,18 4.481,19 44.297,20 306.049,21 125.388,22 306.049,23 306.049,24 306.049,25 306.049,26 1.638,27 21.086,28 15.142,29 34.971,30 11.183,31 13.374,32 7.282,33 337.326,34 282.506,35 3.246,36 2.155,37 18.034,38 16.679,39 16.5,40 4.394,41 20.846,42 1.921,43 2,44 38.838,45 0.315,46 1.566,48 5.688,49 14.359,50 0.745,51 378.338,52 4.12,53 1.058,54 0.229,55 0.006,56 37.065,57 1.689,58 4,59 0.86,60 13.082,61 0.86,62 3.243,63 8.509}
{0 CHEMBL41396,1 2.33,2 7.559,3 144.04,4 2.33,5 5.372,6 4.169,7 6,8 8.348,9 17.446,10 14,11 183.188,12 183.188,13 5.143,14 4.134,15 3.132,16 4.458,17 5.365,18 4.445,19 43.084,20 270.735,21 112.762,22 270.735,23 270.735,24 270.735,25 270.735,26 1.498,27 19.202,28 13.741,29 34.052,30 11.227,31 13.266,32 6.472,33 302.013,34 247.193,35 3.251,36 2.13,37 17.33,38 16.306,39 15.499,40 4.304,41 19.78,42 1.908,43 2,44 33.123,45 0.315,46 1.499,48 5.449,49 14.253,50 0.736,51 371.174,52 4.149,53 1.058,54 0.187,55 0.003,56 38.905,57 1.689,58 4,59 0.86,60 12.016,61 0.8,62 3.247,63 5.914}
{0 CHEMBL41444,1 2.312,2 7.572,3 144.04,4 2.312,5 5.372,6 4.168,7 7,8 8.348,9 17.45,10 14,11 183.188,12 183.188,13 5.143,14 4.134,15 3.131,16 4.445,17 5.366,18 4.435,19 42.602,20 270.735,21 112.762,22 270.735,23 270.735,24 270.735,25 270.735,26 1.489,27 19.204,28 13.733,29 32.034,30 11.092,31 13.25,32 6.472,33 302.013,34 247.193,35 3.23,36 2.121,37 17.328,38 16.245,39 15.626,40 4.318,41 19.773,42 1.909,43 2,44 33.123,45 0.34,46 1.501,48 5.449,49 14.126,50 0.736,51 371.174,52 4.079,53 1.058,54 0.187,55 0.002,56 36.714,57 1.689,58 4,59 0.86,60 12.016,61 0.8,62 3.154,63 8.719}
{0 CHEMBL417890,1 2.196,2 7.475,3 126.918,4 2.196,5 5.381,6 4.109,7 9,8 7.731,9 16.984,10 14,11 126.918,12 126.918,13 5.147,14 4.297,15 3.155,16 4.357,17 5.375,18 4.348,19 39.048,20 282.506,21 126.918,22 282.506,23 282.506,24 282.506,25 282.506,26 1.441,27 18.543,28 12.27,29 27.553,30 9.135,31 12.268,32 6.682,33 282.506,34 258.964,35 3.179,36 2.164,37 17.234,38 14.321,39 13.5,40 4.236,41 19.062,42 1.955,43 2,44 32.482,45 0.315,46 1.507,48 4.827,49 13.045,50 0.902,51 353.304,52 3.938,53 1.058,54 0.088,55 0.003,56 32.92,57 1.674,58 4,59 0.86,60 12.062,61 0.8,62 3.083,63 8.268}
{0 CHEMBL419369,1 1.563,2 5.432,3 71.195,4 1.563,5 4.944,6 3.752,8 6.038,9 12.586,10 6,11 71.195,12 71.195,13 4.809,14 3.79,15 2.796,16 3.896,17 4.935,18 3.9,19 28.278,20 235.422,21 65.387,22 235.422,23 235.422,24 235.422,25 235.422,26 0.859,27 13.339,28 9.569,29 19.414,30 5.572,31 7.751,32 5.765,33 235.422,34 188.338,35 2.532,36 1.513,37 12.923,38 9.449,39 9.965,40 3.878,41 12.983,42 1.752,44 9.55,45 0.094,46 1.157,47 1,48 4.612,49 9.623,50 1.116,51 279.735,52 3.461,54 -0.01,55 -0.137,56 28.288,57 1.513,58 2,60 10.033,62 1.842,63 5}
{0 CHEMBL420997,1 2.313,2 8.776,3 148.213,4 2.313,5 5.301,6 4.324,7 11,8 8.765,9 18.286,10 16,11 148.213,12 148.213,13 5.243,14 4.346,15 3.155,16 4.294,17 5.295,18 4.345,19 34.44,20 294.278,21 148.213,22 294.278,23 309.238,24 294.278,25 294.278,26 1.939,27 19.585,28 12.995,29 32.851,30 11.386,31 16.211,32 6.648,33 270.735,34 264.481,35 3.257,36 2.175,37 15.969,38 13.094,39 13.593,40 4.351,41 18.372,42 1.925,43 1,44 25.774,45 0.388,46 1.513,48 5.679,49 11.59,50 0.913,51 294.278,52 4.109,53 0.8,54 0.055,55 0.048,56 30.799,57 1.755,58 3,60 11.445,62 2.922,63 8.495}
{0 CHEMBL43234,1 2.73,2 7.831,3 151.484,4 2.73,5 5.436,6 4.182,7 7,8 8.828,9 17.432,10 14,11 151.484,12 151.484,13 5.199,14 4.109,15 3.215,16 4.46,17 5.455,18 4.464,19 44.063,20 270.735,21 120.206,22 270.735,23 315.616,24 278.495,25 270.735,26 1.767,27 19.219,28 13.727,29 36.411,30 11.695,31 13.274,32 6.522,33 302.013,34 247.193,35 3.69,36 2.6,37 17.303,38 17.235,39 16.591,40 4.336,41 19.787,42 1.931,43 2,44 36.635,45 0.557,46 1.501,48 5.861,49 14.672,50 0.761,51 332.025,52 4.168,53 1.725,54 0.209,55 -0.041,56 34.076,57 1.691,58 4,59 1.058,60 12.058,61 0.86,62 3.336,63 7.623}
{0 CHEMBL432451,1 1.245,2 5.069,3 69.089,4 1.245,5 4.576,6 3.51,7 2,8 5.829,9 9.297,10 6,11 69.089,12 69.089,13 4.569,14 3.646,15 2.768,16 3.727,17 4.765,18 3.614,19 24.493,20 211.88,21 63.282,22 211.88,23 211.88,24 211.88,25 211.88,26 0.724,27 9.08,28 7.062,29 17.81,30 5.204,31 6.626,32 5.245,33 211.88,34 105.94,35 2.235,36 1.232,37 11.337,38 7.835,39 6.776,40 3.555,41 10.479,42 1.745,44 17.406,45 0.117,46 1.022,47 1,48 4.383,49 8.403,50 1.224,51 256.193,52 3.252,54 -0.125,55 -0.14,56 27.183,57 1.528,58 2,60 9.141,62 2.166,63 5}
{0 CHEMBL434591,1 2.173,2 7.486,3 150.015,4 2.173,5 5.372,6 4.169,7 8,8 7.944,9 17.575,10 14,11 150.015,12 150.015,13 5.219,14 4.24,15 3.133,16 4.417,17 5.367,18 4.411,19 42.046,20 282.506,21 118.738,22 282.506,23 282.506,24 282.506,25 282.506,26 1.592,27 18.946,28 13.406,29 31.606,30 11.06,31 13.704,32 6.816,33 313.784,34 258.964,35 3.145,36 2.097,37 17.675,38 15.931,39 14.977,40 4.29,41 19.991,42 1.917,43 2,44 32.482,45 0.315,46 1.498,48 5.05,49 13.93,50 0.787,51 343.796,52 3.976,53 1.058,54 0.172,55 0.005,56 35.964,57 1.689,58 4,59 0.86,60 12.466,61 0.8,62 3.083,63 8.107}
{0 CHEMBL43573,1 2.629,2 7.895,3 161.799,4 2.629,5 5.456,6 4.284,7 7,8 9.346,9 19.583,10 14,11 161.799,12 161.799,13 5.264,14 4.335,15 3.268,16 4.488,17 5.456,18 4.499,19 45.745,20 306.049,21 130.521,22 306.049,23 306.049,24 306.049,25 306.049,26 1.703,27 20.66,28 15.093,29 39.225,30 12.461,31 14.834,32 7.255,33 337.326,34 282.506,35 3.598,36 2.529,37 18.227,38 17.139,39 16.278,40 4.4,41 20.821,42 1.928,43 2,44 34.58,45 0.467,46 1.565,48 6.164,49 14.723,50 0.733,51 403.483,52 4.256,53 1.674,54 0.244,55 -0.003,56 36.651,57 1.69,58 4,59 1.058,60 13.11,61 0.86,62 3.336,63 7.845}
{0 CHEMBL43909,1 2.684,2 8.485,3 173.624,4 2.684,5 5.483,6 4.354,7 11,8 9.531,9 19.488,10 18,11 173.624,12 173.624,13 5.3,14 4.394,15 3.276,16 4.52,17 5.464,18 4.519,19 43.829,20 306.049,21 142.346,22 306.049,23 306.049,24 306.049,25 306.049,26 1.892,27 20.721,28 15.005,29 38.294,30 12.908,31 14.936,32 7.24,33 325.555,34 282.506,35 3.647,36 2.571,37 18.503,38 16.731,39 16.183,40 4.433,41 21.015,42 1.955,43 2,44 32.482,45 0.5,46 1.561,48 5.995,49 14.472,50 0.833,51 367.338,52 4.273,53 1.058,54 0.118,55 0.004,56 37.568,57 1.714,58 4,59 0.86,60 13.011,61 0.8,62 3.126,63 6.921}
{0 CHEMBL43921,1 2.255,2 7.477,3 150.015,4 2.255,5 5.36,6 4.103,7 7,8 7.944,9 15.442,10 14,11 150.015,12 150.015,13 5.108,14 4.24,15 3.135,16 4.417,17 5.367,18 4.401,19 41.986,20 282.506,21 118.738,22 282.506,23 282.506,24 282.506,25 282.506,26 1.494,27 19.174,28 12.086,29 34.425,30 11.872,31 14.879,32 6.816,33 313.784,34 258.964,35 3.194,36 2.114,37 17.661,38 16,39 14.789,40 4.245,41 20.36,42 1.917,43 2,44 34.726,45 0.315,46 1.504,48 5.05,49 13.929,50 0.787,51 343.796,52 4.008,53 1.058,54 0.172,55 0.004,56 35.988,57 1.689,58 4,59 0.86,60 12.466,61 0.8,62 3.083,63 7.421}
{0 CHEMBL441032,1 2.378,2 7.668,3 135.998,4 2.378,5 5.414,6 4.188,7 5,8 8.65,9 17.586,10 12,11 135.998,12 135.998,13 5.217,14 4.165,15 3.233,16 4.383,17 5.375,18 4.404,19 40.567,20 282.506,21 104.72,22 282.506,23 282.506,24 282.506,25 282.506,26 1.598,27 19.134,28 13.243,29 33.092,30 10.736,31 13.231,32 6.553,33 302.013,34 258.964,35 3.291,36 2.169,37 16.107,38 15.019,39 14.635,40 4.299,41 18.996,42 1.905,43 2,44 37.133,45 0.361,46 1.539,48 5.609,49 12.596,50 0.759,51 354.796,52 4.111,53 1.058,54 0.215,55 0.007,56 33.931,57 1.667,58 4,59 0.86,60 11.726,61 0.86,62 3.134,63 8.428}
{0 CHEMBL442394,1 1.927,2 6.823,3 85.231,4 1.927,5 4.998,6 3.924,8 5.935,9 13.808,10 9,11 85.231,12 85.231,13 4.982,14 3.63,15 2.84,16 3.907,17 4.833,18 3.991,19 23.751,20 200.109,21 79.424,22 200.109,23 200.109,24 200.109,25 200.109,26 1.079,27 13.462,28 10.79,29 25.873,30 6.394,31 8.245,32 4.939,33 176.567,34 200.109,35 2.887,36 1.848,37 10.923,38 9.326,39 10.695,40 4.042,41 11.936,42 1.715,44 18.055,45 0.117,46 1.223,47 1,48 4.149,49 8.445,50 1.079,51 255.422,52 3.834,53 0.68,54 -0.006,55 -0.13,56 22.82,57 1.512,60 8.863,62 2.633,63 5}
{0 CHEMBL597,1 1.794,2 6.522,3 101.979,4 1.794,5 4.807,6 3.829,7 1,8 6.185,9 10.364,10 12,11 101.979,12 101.979,13 4.806,14 3.874,15 2.858,16 3.779,17 4.739,18 3.769,19 20.131,20 200.109,21 101.979,22 200.109,23 200.109,24 200.109,25 200.109,26 1.093,27 11.389,28 7.219,29 21.428,30 7.737,31 11.221,32 4.881,33 200.109,34 200.109,35 2.765,36 1.736,37 9.996,38 7.569,39 7.776,40 3.809,41 10.979,42 1.706,43 1,44 26.824,45 0.182,46 1.157,47 1,48 4.112,49 6.946,50 1.019,51 242.792,52 3.659,53 0.812,54 -0.037,55 -0.127,56 20.221,57 1.418,58 3,59 0.269,60 8.078,61 0.067,62 2.493,63 6.658}
{0 CHEMBL61006,1 0.605,3 59.392,4 0.605,5 4.042,6 2.412,8 3.51,9 3.896,10 6,11 59.392,12 59.392,13 3.307,14 3.193,15 1.802,16 3.157,17 4.309,18 3.006,19 13.172,20 117.711,21 59.392,22 117.711,23 117.711,24 117.711,25 117.711,26 0.137,27 4.891,28 2.463,29 0.97,30 0.301,31 0.498,32 3.212,33 117.711,34 82.398,35 1.524,36 0.55,37 6.375,38 4.135,39 3.188,40 2.774,41 6.091,42 1.269,44 8.174,46 0.52,48 2.629,49 4.311,50 1.196,51 160.394,52 1.577,54 -0.082,55 -0.285,56 12.64,57 0.933,60 5.192,62 1,63 5.02}
{0 CHEMBL611,1 2.203,2 7.481,3 82.938,4 2.203,5 5.203,6 4.007,7 3,8 8.171,9 14.67,10 8,11 82.938,12 82.938,13 5.213,14 4.083,15 3.199,16 4.059,17 5.131,18 4.048,19 31.217,20 270.735,21 82.938,22 270.735,23 270.735,24 270.735,25 270.735,26 1.287,27 13.494,28 9.557,29 26.901,30 6.3,31 10.601,32 6.144,33 270.735,34 223.651,35 3.123,36 2.022,37 13.014,38 8.792,39 8.938,40 4.026,41 13.326,42 1.761,43 2,44 34.891,45 0.231,46 1.513,48 5.642,49 8.658,50 0.853,51 328.88,52 3.8,53 0.933,54 0.164,55 -0.044,56 29.77,57 1.522,58 5,59 0.86,60 10.266,61 0.86,62 2.795,63 9.161}
{0 CHEMBL64249,1 2.086,2 7.332,3 130.88,4 2.086,5 5.162,6 4.159,7 4,8 6.481,9 16.107,10 12,11 170.029,12 170.029,13 4.96,14 3.976,15 2.911,16 4.247,17 5.126,18 4.243,19 39.693,20 247.193,21 98.661,22 247.193,23 247.193,24 247.193,25 247.193,26 1.254,27 18.086,28 12.531,29 30.693,30 9.254,31 12.188,32 5.794,33 279.413,34 223.651,35 2.949,36 1.711,37 15.148,38 14.704,39 13.673,40 4.207,41 18.586,42 1.904,43 2,44 22.821,45 0.226,46 1.149,48 4.374,49 11.931,50 0.706,51 286.342,52 3.963,53 0.916,54 0.195,55 0.022,56 32.13,57 1.671,58 4,59 0.8,60 9.982,61 0.172,62 2.866,63 9.252}
{0 CHEMBL64875,1 2.086,2 7.332,3 130.88,4 2.086,5 5.162,6 4.159,7 4,8 6.481,9 16.107,10 12,11 170.029,12 170.029,13 4.96,14 3.976,15 2.911,16 4.247,17 5.126,18 4.243,19 39.693,20 247.193,21 98.661,22 247.193,23 247.193,24 247.193,25 247.193,26 1.254,27 18.086,28 12.531,29 30.693,30 9.254,31 12.188,32 5.794,33 279.413,34 223.651,35 2.949,36 1.711,37 15.148,38 14.704,39 13.673,40 4.207,41 18.586,42 1.904,43 2,44 22.821,45 0.226,46 1.149,48 4.374,49 11.931,50 0.706,51 286.342,52 3.963,53 0.916,54 0.195,55 0.022,56 32.13,57 1.671,58 4,59 0.8,60 9.982,61 0.172,62 2.866,63 9.205}
{0 CHEMBL762,1 1.718,2 5.388,3 75.418,4 1.718,5 5.104,6 3.812,7 3,8 5.067,9 13.586,10 6,11 75.418,12 75.418,13 5.103,14 4.094,15 3.009,16 3.932,17 5.085,18 3.989,19 28.342,20 258.964,21 75.418,22 258.964,23 258.964,24 258.964,25 258.964,26 0.978,27 14.846,28 8.768,29 15.483,30 4.701,31 7.584,32 6.148,33 258.964,34 258.964,35 2.71,36 1.702,37 12.984,38 10.858,39 9.994,40 3.924,41 15.702,42 1.681,44 19.526,45 0.117,46 1.417,47 1,48 3.796,49 8.894,50 0.858,51 301.648,52 3.236,53 0.368,54 0.235,55 -0.158,56 22.97,57 1.364,58 2,59 0.265,60 10.34,62 2.458,63 6.69}
{0 CHEMBL836,1 1.993,2 5.254,3 134.966,4 1.993,5 5.205,6 4.013,7 3,8 10.67,9 16.381,10 12,11 134.966,12 134.966,13 5.083,14 4.19,15 2.983,16 4.045,17 5.092,18 4.094,19 33.327,20 294.278,21 129.159,22 294.278,23 294.278,24 294.278,25 294.278,26 1.253,27 16.892,28 11.655,29 31.952,30 9.189,31 12.595,32 7.091,33 294.278,34 200.109,35 2.944,36 1.89,37 13.771,38 11.777,39 12.88,40 4.116,41 15.296,42 1.866,44 26.437,45 0.21,46 1.329,48 8.573,49 10.655,50 1.025,51 371.59,52 3.71,53 0.86,54 0.026,55 -0.185,56 33.066,57 1.63,58 3,59 0.86,60 11.405,61 0.4,62 2.675,63 9.699}
{0 CHEMBL93923,1 2.524,2 8.781,3 150.003,4 2.524,5 5.509,6 4.483,7 9,8 9.814,9 21.988,10 17,11 150.003,12 150.003,13 5.498,14 4.533,15 3.206,16 4.445,17 5.466,18 4.477,19 42.008,20 353.133,21 150.003,22 353.133,23 368.093,24 353.133,25 353.133,26 2.355,27 23.194,28 15.441,29 45.336,30 15.727,31 22.857,32 8.171,33 329.591,34 321.009,35 3.48,36 2.416,37 19.781,38 15.83,39 15.699,40 4.47,41 22.294,42 1.929,43 2,44 34.48,45 0.442,46 1.523,48 6.383,49 14.065,50 0.911,51 378.278,52 4.254,53 0.8,54 0.068,56 39.036,57 1.758,58 6,59 0.563,60 14.096,61 0.075,62 2.923,63 8.398}
{0 CHEMBL95175,1 2.506,2 8.782,3 155.199,4 2.506,5 5.449,6 4.457,7 11,8 10.002,9 21.026,10 18,11 155.199,12 155.199,13 5.442,14 4.419,15 3.206,16 4.408,17 5.414,18 4.433,19 39.688,20 329.591,21 155.199,22 329.591,23 344.551,24 329.591,25 329.591,26 2.238,27 21.786,28 15.17,29 42.522,30 14.67,31 20.48,32 7.429,33 294.278,34 299.794,35 3.457,36 2.384,37 18.4,38 14.849,39 15.175,40 4.444,41 20.226,42 1.968,43 2,44 30.188,45 0.365,46 1.513,48 6.43,49 13.58,50 0.918,51 365.736,52 4.255,53 0.8,54 0.046,55 0.007,56 36.073,57 1.77,58 6,59 0.655,60 12.773,61 0.13,62 2.888,63 8.745}
{0 CHEMBL97242,1 2.524,2 8.781,3 136.024,4 2.524,5 5.449,6 4.429,7 14,8 9.737,9 20.057,10 15,11 136.024,12 136.024,13 5.463,14 4.351,15 3.206,16 4.38,17 5.42,18 4.416,19 39.802,20 329.591,21 136.024,22 329.591,23 344.551,24 329.591,25 329.591,26 2.234,27 20.857,28 14.263,29 43.249,30 13.565,31 19.811,32 7.359,33 317.82,34 299.794,35 3.481,36 2.418,37 17.721,38 14.266,39 14.09,40 4.41,41 19.93,42 1.928,43 2,44 32.688,45 0.442,46 1.513,48 6.3,49 12.835,50 0.892,51 365.736,52 4.264,53 0.8,54 0.095,55 0.022,56 35.599,57 1.754,58 6,59 0.655,60 12.672,61 0.13,62 2.923,63 9.161}
{0 CHEMBL97333,1 2.531,2 8.782,3 149.352,4 2.531,5 5.54,6 4.52,7 12,8 10.038,9 23.879,10 16,11 149.352,12 149.352,13 5.565,14 4.612,15 3.206,16 4.5,17 5.572,18 4.522,19 47.319,20 388.446,21 149.352,22 388.446,23 403.406,24 388.446,25 388.446,26 2.446,27 24.413,28 16.675,29 46.058,30 15.506,31 22.765,32 8.804,33 364.904,34 311.566,35 3.483,36 2.412,37 21.449,38 16.756,39 16.556,40 4.506,41 23.939,42 1.931,43 2,44 38.184,45 0.455,46 1.582,48 6.601,49 15.214,50 0.894,51 413.591,52 4.28,53 0.8,54 0.098,55 0.012,56 41.021,57 1.764,58 4,59 0.555,60 15.29,62 2.922,63 8.056}
{0 CHEMBL97698,1 2.37,2 7.829,3 115.345,4 2.37,5 5.465,6 4.335,7 4,8 8.792,9 19.109,10 12,11 115.345,12 115.345,13 5.419,14 4.272,15 3.199,16 4.267,17 5.359,18 4.327,19 38.164,20 294.278,21 115.345,22 294.278,23 294.278,24 294.278,25 294.278,26 1.871,27 18.453,28 13.149,29 36.158,30 11.152,31 16.733,32 6.845,33 282.506,34 247.193,35 3.317,36 2.232,37 15.751,38 11.797,39 12.775,40 4.35,41 17.169,42 1.776,43 2,44 39.46,45 0.351,46 1.513,48 5.865,49 10.813,50 0.925,51 350.93,52 4.178,53 0.86,54 0.093,55 -0.023,56 33.793,57 1.539,58 2,59 0.86,60 11.848,61 0.8,62 2.886,63 9.337}
{0 CHEMBL98241,1 2.383,2 5.783,3 93.043,4 2.383,5 5.501,6 4.014,7 5,8 8.416,9 15.822,10 6,11 93.043,12 93.043,13 5.12,14 4.211,15 3.14,16 4.316,17 5.529,18 4.317,19 47.084,20 329.591,21 93.043,22 329.591,23 374.471,24 329.591,25 329.591,26 1.538,27 18.63,28 11.139,29 34.286,30 9.908,31 14.557,32 7.448,33 329.591,34 339.158,35 3.306,36 2.187,37 18.658,38 15.415,39 12.969,40 4.171,41 22.037,42 1.893,43 3,44 32.778,45 0.342,46 1.422,48 6.029,49 13.574,50 1.056,51 379.881,52 3.849,53 1.798,54 -0.004,55 0.011,56 40.979,57 1.658,58 5,59 0.8,60 13.291,61 0.8,62 3.24,63 6.77}