@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4767

@attribute molecule_id {CHEMBL125795,CHEMBL126019,CHEMBL126257,CHEMBL126479,CHEMBL126488,CHEMBL126742,CHEMBL126762,CHEMBL127013,CHEMBL127180,CHEMBL127365,CHEMBL127790,CHEMBL129363,CHEMBL129530,CHEMBL1645202,CHEMBL172975,CHEMBL1822239,CHEMBL1822386,CHEMBL1822387,CHEMBL1822388,CHEMBL1822389,CHEMBL1822390,CHEMBL1822391,CHEMBL1822392,CHEMBL1822393,CHEMBL1822394,CHEMBL1822395,CHEMBL1822396,CHEMBL1822397,CHEMBL1822398,CHEMBL1822399,CHEMBL1822400,CHEMBL1822401,CHEMBL1822402,CHEMBL1822403,CHEMBL1822404,CHEMBL1822405,CHEMBL1822406,CHEMBL1822407,CHEMBL1822408,CHEMBL1939699,CHEMBL1956463,CHEMBL1956464,CHEMBL1956465,CHEMBL20382,CHEMBL20399,CHEMBL20429,CHEMBL20431,CHEMBL20439,CHEMBL20462,CHEMBL20463,CHEMBL20464,CHEMBL2047120,CHEMBL2047121,CHEMBL2047122,CHEMBL2047123,CHEMBL2047124,CHEMBL2047125,CHEMBL2047126,CHEMBL2047127,CHEMBL2047128,CHEMBL2047232,CHEMBL2047233,CHEMBL2047234,CHEMBL2047235,CHEMBL2047236,CHEMBL2047237,CHEMBL2047238,CHEMBL2047239,CHEMBL2047240,CHEMBL20479,CHEMBL20481,CHEMBL20491,CHEMBL20499,CHEMBL20502,CHEMBL20526,CHEMBL20571,CHEMBL20593,CHEMBL20601,CHEMBL20615,CHEMBL206203,CHEMBL206204,CHEMBL20646,CHEMBL20647,CHEMBL20656,CHEMBL20657,CHEMBL206611,CHEMBL206612,CHEMBL20664,CHEMBL20689,CHEMBL207007,CHEMBL20709,CHEMBL20719,CHEMBL207191,CHEMBL20720,CHEMBL20721,CHEMBL207239,CHEMBL207251,CHEMBL20730,CHEMBL207303,CHEMBL207342,CHEMBL207402,CHEMBL20744,CHEMBL207652,CHEMBL207653,CHEMBL207710,CHEMBL20772,CHEMBL207724,CHEMBL207868,CHEMBL207918,CHEMBL2079585,CHEMBL2079665,CHEMBL20856,CHEMBL20881,CHEMBL20928,CHEMBL209296,CHEMBL20943,CHEMBL20969,CHEMBL21093,CHEMBL21139,CHEMBL21148,CHEMBL21151,CHEMBL21152,CHEMBL21165,CHEMBL21227,CHEMBL21234,CHEMBL21243,CHEMBL21244,CHEMBL21270,CHEMBL21271,CHEMBL21309,CHEMBL21375,CHEMBL21598,CHEMBL21707,CHEMBL21722,CHEMBL22052,CHEMBL22117,CHEMBL2314421,CHEMBL266183,CHEMBL277033,CHEMBL277449,CHEMBL277630,CHEMBL277861,CHEMBL278137,CHEMBL278303,CHEMBL278382,CHEMBL278634,CHEMBL278758,CHEMBL278774,CHEMBL278834,CHEMBL279485,CHEMBL280364,CHEMBL280673,CHEMBL281595,CHEMBL282241,CHEMBL282727,CHEMBL282894,CHEMBL282895,CHEMBL283140,CHEMBL283141,CHEMBL283986,CHEMBL314170,CHEMBL315146,CHEMBL316520,CHEMBL318675,CHEMBL330386,CHEMBL330635,CHEMBL337929,CHEMBL338140,CHEMBL338411,CHEMBL338469,CHEMBL339281,CHEMBL339491,CHEMBL339712,CHEMBL339863,CHEMBL340185,CHEMBL340815,CHEMBL340816,CHEMBL341139,CHEMBL377459,CHEMBL378548,CHEMBL382223,CHEMBL405524,CHEMBL416916,CHEMBL417277,CHEMBL418373,CHEMBL437316,CHEMBL461783,CHEMBL461956,CHEMBL462659,CHEMBL473129,CHEMBL473546,CHEMBL473547,CHEMBL473548,CHEMBL473751,CHEMBL50880,CHEMBL510679,CHEMBL516814,CHEMBL575994,CHEMBL87379,CHEMBL87414,CHEMBL87594,CHEMBL89812,CHEMBL94733,CHEMBL95701,CHEMBL95857,CHEMBL97524}
@attribute HVcpx numeric
@attribute AECC numeric
@attribute IDE numeric
@attribute MSD numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.v. numeric
@attribute ATS5s numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute CATS2D_02_LL numeric
@attribute SpMin3_Bh.m. numeric
@attribute ATSC5p numeric
@attribute Eig04_AEA.dm. numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMax8_Bh.m. numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute ATSC5v numeric
@attribute SpMin2_Bh.i. numeric
@attribute ATS8m numeric
@attribute ATS6s numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ri. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute ATSC6v numeric
@attribute CATS2D_04_LL numeric
@attribute ECC numeric
@attribute GGI10 numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.v. numeric
@attribute Se numeric
@attribute Eig10_AEA.bo. numeric
@attribute RDCHI numeric
@attribute GGI9 numeric
@attribute MDDD numeric
@attribute SAtot numeric
@attribute AMR numeric
@attribute ATSC6i numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute nBT numeric
@attribute Sp numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.v. numeric
@attribute Sv numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute X0v numeric
@attribute ATS4m numeric
@attribute pXC50 numeric

@data
{1 3.25,2 9.84,3 3.391,4 5.676,5 1.705,6 1.656,7 1.843,8 1.858,9 5.874,10 63.999,11 63.999,12 23,13 1.879,14 16.177,15 2.503,16 4.035,17 4.158,18 2.735,19 2.715,20 0.122,21 2.694,22 236.813,23 250.423,24 258.423,25 22.87,26 1.918,27 3.239,28 5.82,29 1.452,30 1.099,31 0.146,32 0.113,33 20.533,34 13,35 246,36 0.049,37 3.858,38 3.725,39 3.719,40 50.916,41 2.461,42 3.764,43 0.111,44 21.261,45 461.906,46 101.963,47 1.753,48 296.423,49 52,50 56,51 34.358,52 2.854,53 2.925,54 0.886,55 0.821,56 1.215,57 1.062,58 1.114,59 31.585,60 187.654,61 326.81,62 449.635,63 14.72,64 3.883,65 8.071}
{0 CHEMBL126019,1 3.328,2 10.208,3 3.484,4 6.103,5 1.791,6 1.744,7 1.911,8 1.932,9 5.768,10 65.8,11 65.8,12 24,13 1.961,14 14.896,15 2.668,16 3.949,17 4.067,18 2.797,19 2.775,20 0.14,21 2.799,22 230.568,23 240.078,24 242.078,25 19.779,26 1.886,27 3.635,28 5.464,29 1,30 0.983,31 0.169,32 0.132,33 14.959,34 9,35 245,36 0.078,37 3.78,38 3.596,39 3.591,40 47.261,41 2,42 3.682,43 0.149,44 19.91,45 467.374,46 102.685,47 1.247,48 268.078,49 48,50 51,51 32.949,52 2.87,53 2.915,54 0.872,55 0.83,56 1.107,57 1,58 1.051,59 30.083,60 187.776,61 323.85,62 449.934,63 15.504,64 4,65 6.222}
{0 CHEMBL126257,1 3.325,2 10.28,3 3.497,4 6.19,5 1.77,6 1.718,7 1.916,8 1.927,9 5.851,10 71.858,11 71.858,12 14,13 1.933,14 14.906,15 2.758,16 3.995,17 4.118,18 2.824,19 2.78,20 0.136,21 2.855,22 246.683,23 253.438,24 253.438,25 20.104,26 1.884,27 3.677,28 5.598,29 1.285,30 0.983,31 0.164,32 0.129,33 17.693,34 6,35 257,36 0.098,37 3.781,38 3.596,39 3.591,40 49.363,41 2.323,42 3.714,43 0.189,44 21.251,45 487.274,46 107.388,47 1.419,48 282.193,49 50,50 53,51 33.955,52 2.87,53 2.915,54 0.872,55 0.83,56 1.118,57 1.02,58 1.063,59 31.104,60 194.57,61 334.85,62 466.512,63 16.244,64 4.084,65 6.74}
{0 CHEMBL126479,1 3.399,2 10.727,3 3.532,4 6.193,5 1.721,6 1.666,7 1.867,8 1.886,9 5.555,10 61.397,11 61.397,12 17,13 1.906,14 11.273,15 2.636,16 3.85,17 3.969,18 2.735,19 2.715,20 0.134,21 2.687,22 195.46,23 202.215,24 202.215,25 15.238,26 1.887,27 3.429,28 5.415,29 1,30 0.983,31 0.162,32 0.121,33 13.179,34 6,35 236,36 0.041,37 3.783,38 3.598,39 3.592,40 43.378,41 2,42 3.571,43 0.084,44 19.223,45 445.054,46 94.971,47 1.111,48 240.215,49 44,50 46,51 30.188,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 27.556,60 175.985,61 301.61,62 421.163,63 14.245,64 3.702,65 7.523}
{0 CHEMBL126488,1 3.545,2 12.233,3 3.721,4 7.051,5 1.817,6 1.772,7 1.946,8 1.953,9 6.042,10 88.309,11 88.309,12 12,13 1.963,14 17.345,15 2.817,16 4.215,17 4.347,18 2.941,19 2.91,20 0.112,21 2.866,22 316.141,23 326.405,24 326.405,25 25.977,26 1.884,27 3.84,28 5.983,29 1.5,30 1.133,31 0.135,32 0.106,33 24.383,34 6,35 367,36 0.16,37 3.878,38 3.698,39 3.702,40 61.399,41 2.5,42 4.168,43 0.288,44 30.28,45 554.614,46 120.567,47 2.05,48 369.16,49 62,50 66,51 39.83,52 3.111,53 3.206,54 1.153,55 1.064,56 1.459,57 1.376,58 1.422,59 37.064,60 221.625,61 389.48,62 532.525,63 17.804,64 4.102,65 7.481}
{0 CHEMBL126742,1 3.263,2 9.87,3 3.415,4 5.76,5 1.704,6 1.653,7 1.85,8 1.865,9 5.691,10 59.743,11 59.743,12 19,13 1.885,14 12.622,15 1.96,16 3.945,17 4.069,18 2.735,19 2.715,20 0.131,21 2.687,22 204.568,23 218.078,24 224.078,25 17.953,26 1.885,27 3.051,28 5.598,29 1.367,30 1,31 0.159,32 0.122,33 15.225,34 7,35 227,36 0.021,37 3.86,38 3.726,39 3.72,40 47.032,41 2.389,42 3.647,43 0.074,44 20.223,45 441.692,46 94.229,47 1.339,48 268.078,49 48,50 51,51 31.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 29.058,60 175.862,61 304.57,62 420.864,63 13.513,64 3.644,65 6.324}
{0 CHEMBL126762,1 3.47,2 11.448,3 3.642,4 6.696,5 1.805,6 1.76,7 1.919,8 1.94,9 5.955,10 82.737,11 82.737,12 19,13 1.947,14 20.117,15 2.792,16 4.171,17 4.298,18 2.951,19 2.912,20 0.106,21 2.891,22 305.659,23 314.413,24 314.413,25 25.773,26 1.894,27 4.156,28 5.98,29 1.548,30 1.115,31 0.128,32 0.099,33 24.873,34 9,35 332,36 0.128,37 3.885,38 3.764,39 3.755,40 58.854,41 2.544,42 4.124,43 0.197,44 29.998,45 571.154,46 127.222,47 2.171,48 354.413,49 60,50 64,51 41.546,52 3.093,53 3.176,54 0.924,55 0.854,56 1.219,57 1.124,58 1.161,59 36.976,60 231.217,61 397.69,62 555.93,63 19.117,64 4.315,65 7.839}
{0 CHEMBL127013,1 3.369,2 10.68,3 3.525,4 6.182,5 1.703,6 1.653,7 1.843,8 1.858,9 5.785,10 69.798,11 69.798,12 17,13 1.874,14 13.873,15 2.894,16 3.957,17 4.068,18 2.735,19 2.715,20 0.122,21 2.89,22 226.568,23 234.078,24 234.078,25 18.739,26 1.886,27 3.659,28 5.735,29 1.401,30 1,31 0.147,32 0.113,33 15.45,34 9,35 267,36 0.074,37 3.86,38 3.728,39 3.722,40 47.68,41 2.417,42 3.751,43 0.125,44 22.688,45 484.495,46 103.838,47 1.308,48 268.078,49 48,50 51,51 33.313,52 2.854,53 2.922,54 0.867,55 0.821,56 1.181,57 1.051,58 1.107,59 30.713,60 192.528,61 334.99,62 461.528,63 15.626,64 3.862,65 7.222}
{0 CHEMBL127180,1 3.061,2 8.591,3 3.201,4 5.14,5 1.733,6 1.679,7 1.896,8 1.911,9 5.783,10 64.876,11 64.876,12 10,13 1.926,14 13.88,15 2.37,16 3.988,17 4.127,18 2.757,19 2.736,20 0.153,21 2.716,22 241.438,23 247.438,24 247.438,25 20.612,26 1.818,27 3.178,28 5.529,29 1,30 0.979,31 0.184,32 0.144,33 17.877,34 7,35 189,36 0.041,37 3.717,38 3.545,39 3.533,40 49.018,41 2,42 3.407,43 0.069,44 16.149,45 440.52,46 91.565,47 1.375,48 282.193,49 50,50 53,51 31.364,52 2.929,53 3.021,54 0.953,55 0.871,56 1.32,57 1.201,58 1.246,59 28.606,60 172.254,61 299.79,62 412.06,63 13.67,64 3.805,65 7.131}
{0 CHEMBL127365,1 3.292,2 10,3 3.461,4 5.95,5 1.704,6 1.653,7 1.846,8 1.862,9 5.74,10 65.8,11 65.8,12 19,13 1.879,14 14.191,15 2.744,16 3.949,17 4.067,18 2.735,19 2.715,20 0.126,21 2.687,22 225.323,23 234.078,24 234.078,25 18.716,26 1.887,27 3.882,28 5.627,29 1.37,30 1,31 0.153,32 0.117,33 15.636,34 8,35 240,36 0.054,37 3.86,38 3.728,39 3.721,40 47.261,41 2.391,42 3.697,43 0.09,44 21.236,45 469.453,46 101.851,47 1.343,48 268.078,49 48,50 51,51 32.949,52 2.854,53 2.915,54 0.872,55 0.821,56 1.181,57 1.051,58 1.107,59 30.083,60 187.776,61 323.85,62 449.934,63 15.399,64 3.95,65 6.526}
{0 CHEMBL127790,1 3.515,2 11.966,3 3.671,4 6.776,5 1.804,6 1.758,7 1.94,8 1.948,9 5.966,10 82.737,11 82.737,12 17,13 1.959,14 16.848,15 2.847,16 4.178,17 4.307,18 2.935,19 2.912,20 0.106,21 2.89,22 299.659,23 306.413,24 306.413,25 24.681,26 1.886,27 3.737,28 6.044,29 1.5,30 1.115,31 0.128,32 0.099,33 23.979,34 8,35 347,36 0.165,37 3.888,38 3.755,39 3.753,40 59.298,41 2.5,42 4.137,43 0.184,44 30.611,45 536.793,46 115.031,47 2.151,48 354.413,49 60,50 64,51 38.824,52 3.093,53 3.176,54 0.922,55 0.853,56 1.215,57 1.124,58 1.16,59 36.043,60 214.831,61 378.48,62 515.947,63 16.959,64 4.003,65 6.488}
{0 CHEMBL129363,1 3.548,2 12.269,3 3.722,4 7.008,5 1.734,6 1.68,7 1.884,8 1.898,9 5.729,10 72.116,11 72.116,12 18,13 1.915,14 14.23,15 2.828,16 4.059,17 4.185,18 2.735,19 2.715,20 0.116,21 2.687,22 258.009,23 264.764,24 264.764,25 20.517,26 1.889,27 3.383,28 5.746,29 1.5,30 1,31 0.142,32 0.109,33 17.823,34 15,35 319,36 0.174,37 3.872,38 3.736,39 3.731,40 53.312,41 2.5,42 3.973,43 0.118,44 26.686,45 496.679,46 103.954,47 1.553,48 310.764,49 54,50 57,51 35.057,52 2.854,53 2.925,54 0.886,55 0.821,56 1.209,57 1.062,58 1.114,59 32.495,60 196.245,61 345.24,62 470.598,63 15.228,64 3.726,65 6.42}
{0 CHEMBL129530,1 3.549,2 12.037,3 3.7,4 6.9,5 1.808,6 1.761,7 1.943,8 1.952,9 5.851,10 78.289,11 78.289,12 15,13 1.964,14 14.425,15 2.792,16 4.1,17 4.231,18 2.756,19 2.737,20 0.11,21 2.778,22 268.947,23 281.212,24 281.212,25 21.356,26 1.886,27 3.619,28 5.849,29 1.5,30 1,31 0.133,32 0.102,33 20.189,34 6,35 325,36 0.128,37 3.869,38 3.698,39 3.701,40 55.414,41 2.5,42 4.016,43 0.195,44 28.313,45 512.393,46 108.15,47 1.769,48 325.212,49 56,50 59,51 36.063,52 2.909,53 2.99,54 0.926,55 0.852,56 1.241,57 1.142,58 1.18,59 33.516,60 203.039,61 356.24,62 487.176,63 15.805,64 3.865,65 9.508}
{0 CHEMBL1645202,1 3.27,2 10,3 3.425,4 5.834,5 1.746,6 1.7,7 1.906,8 1.917,9 5.683,10 65.8,11 65.8,12 16,13 1.933,14 12.887,15 2.403,16 3.955,17 4.074,18 2.745,19 2.73,20 0.149,21 2.719,22 212.469,23 228.078,24 234.078,25 18.076,26 1.876,27 3.125,28 5.715,29 1,30 0.983,31 0.169,32 0.134,33 17.392,34 10,35 240,36 0.041,37 3.756,38 3.567,39 3.563,40 47.545,41 2,42 3.674,43 0.084,44 22.083,45 428.824,46 95.269,47 1.628,48 268.078,49 48,50 51,51 31.535,52 2.864,53 2.93,54 0.886,55 0.825,56 1.181,57 1.062,58 1.107,59 29.441,60 177.06,61 310.64,62 423.787,63 13.957,64 3.844,65 8.854}
{0 CHEMBL172975,1 3.489,2 11.444,3 3.629,4 6.621,5 1.81,6 1.762,7 1.941,8 1.956,9 5.971,10 75.327,11 75.327,12 17,13 1.977,14 13.889,15 2.456,16 4.082,17 4.208,18 2.756,19 2.737,20 0.123,21 2.727,22 262.465,23 273.975,24 275.975,25 20.067,26 1.887,27 3.566,28 5.93,29 1.5,30 1,31 0.135,32 0.103,33 19.646,34 6,35 309,36 0.128,37 3.866,38 3.698,39 3.7,40 54.345,41 2.5,42 3.962,43 0.159,44 26.593,45 513.761,46 107.765,47 1.693,48 317.975,49 55,50 58,51 35.819,52 2.906,53 2.986,54 0.925,55 0.852,56 1.229,57 1.141,58 1.177,59 33.321,60 202.91,61 356.32,62 486.86,63 15.705,64 3.935,65 7.469}
{0 CHEMBL1822239,1 3.174,2 9.2,3 3.309,4 5.392,5 1.694,6 1.637,7 1.849,8 1.876,9 5.57,10 57.625,11 57.625,12 15,13 1.916,14 11.614,15 2.367,16 3.903,17 4.042,18 2.735,19 2.715,20 0.148,21 2.687,22 212.311,23 220.311,24 220.311,25 16.905,26 1.823,27 2.874,28 5.336,31 0.18,32 0.137,33 14.278,34 8,35 184,36 0.078,37 3.742,38 3.561,39 3.547,40 45.916,41 1.168,42 3.315,43 0.073,44 15.18,45 424.376,46 84.189,47 1.137,48 261.066,49 47,50 49,51 29.358,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.071,58 1.108,59 26.585,60 163.261,61 283.85,62 390.116,63 12.593,64 3.519,65 7.64}
{0 CHEMBL1822386,1 3.769,2 14.3,3 3.934,4 8.001,5 1.833,6 1.788,7 1.959,8 1.964,9 6.057,10 89.118,11 89.118,12 10,13 1.971,14 14.91,15 2.889,16 4.146,17 4.267,18 2.941,19 2.91,20 0.113,21 2.866,22 282.253,23 293.763,24 295.763,25 20.98,26 1.886,27 3.702,28 6.063,29 1.5,30 1,31 0.122,32 0.093,33 20.937,34 9,35 429,36 0.157,37 3.893,38 3.729,39 3.731,40 58.254,41 2.5,42 4.257,43 0.149,44 37.307,45 545.506,46 113.78,47 1.829,48 339.763,49 58,50 61,51 37.455,52 3.111,53 3.202,54 1.097,55 1.055,56 1.318,57 1.327,58 1.321,59 35.614,60 214.899,61 385.76,62 516.113,63 17.014,64 4.002,65 5.866}
{0 CHEMBL1822387,1 3.827,2 14.968,3 3.995,4 8.317,5 1.834,6 1.79,7 1.962,8 1.966,9 6.1,10 92.729,11 92.729,12 10,13 1.973,14 16.026,15 2.888,16 4.208,17 4.328,18 2.941,19 2.91,20 0.109,21 2.898,22 314.896,23 320.405,24 320.405,25 22.867,26 1.89,27 3.745,28 6.054,29 1.5,30 1,31 0.118,32 0.09,33 22.078,34 9,35 464,36 0.169,37 3.892,38 3.729,39 3.731,40 61.952,41 2.5,42 4.35,43 0.179,44 40.316,45 583.864,46 120.027,47 1.852,48 369.16,49 62,50 65,51 39.733,52 3.111,53 3.206,54 1.145,55 1.064,56 1.447,57 1.376,58 1.427,59 37.472,60 227.289,61 405.78,62 546.346,63 18.044,64 4.045,65 5.48}
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{0 CHEMBL1956463,1 3.619,2 12.781,3 3.765,4 7.223,5 1.855,6 1.821,7 1.966,8 1.971,9 6.256,10 94.022,11 94.022,12 15,13 1.978,14 17.896,15 2.955,16 4.237,17 4.354,18 2.933,19 2.91,20 0.104,21 2.88,22 329.814,23 332.569,24 332.569,25 25.418,26 1.894,27 3.943,28 6.24,29 1.5,30 1.181,31 0.116,32 0.09,33 24.632,34 8,35 409,36 0.206,37 3.902,38 3.764,39 3.765,40 62.952,41 2.5,42 4.319,43 0.234,44 34.688,45 579.701,46 121.262,47 2.173,48 376.569,49 63,50 67,51 40.733,52 3.111,53 3.172,54 1.079,55 1.02,56 1.341,57 1.303,58 1.317,59 38.472,60 229.488,61 410.72,62 551.711,63 18.276,64 4.209,65 7.561}
{0 CHEMBL1956464,1 3.549,2 12.037,3 3.7,4 6.9,5 1.808,6 1.761,7 1.943,8 1.952,9 5.851,10 78.289,11 78.289,12 15,13 1.964,14 14.425,15 2.792,16 4.1,17 4.231,18 2.756,19 2.737,20 0.11,21 2.778,22 268.947,23 281.212,24 281.212,25 21.356,26 1.886,27 3.619,28 5.849,29 1.5,30 1,31 0.133,32 0.102,33 20.189,34 6,35 325,36 0.128,37 3.869,38 3.698,39 3.701,40 55.414,41 2.5,42 4.016,43 0.195,44 28.313,45 512.393,46 108.15,47 1.769,48 325.212,49 56,50 59,51 36.063,52 2.909,53 2.99,54 0.926,55 0.852,56 1.241,57 1.142,58 1.18,59 33.516,60 203.039,61 356.24,62 487.176,63 15.805,64 3.865,65 9.357}
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{0 CHEMBL20382,1 3.629,2 12.839,3 3.801,4 7.39,5 1.725,6 1.673,7 1.887,8 1.893,9 6.3,10 88.472,11 88.472,12 18,13 1.908,14 16.482,15 3.103,16 4.192,17 4.309,18 2.919,19 2.91,20 0.107,21 2.866,22 317.02,23 325.775,24 325.775,25 23.696,26 1.921,27 3.897,28 6.088,29 1.5,30 1.185,31 0.122,32 0.093,33 21.546,34 11,35 398,36 0.206,37 3.796,38 3.604,39 3.604,40 60.883,41 2.5,42 4.24,43 0.274,44 36.554,45 587.768,46 119.058,47 1.887,48 361.775,49 61,50 64,51 39.489,52 3.111,53 3.191,54 1.073,55 1.033,56 1.288,57 1.347,58 1.35,59 37.277,60 227.16,61 405.86,62 546.03,63 17.666,64 4.101,65 7.301}
{0 CHEMBL20399,1 2.939,2 7.533,3 3.013,4 4.421,5 1.417,6 1.353,7 1.651,8 1.67,9 5.17,10 44.157,11 44.157,12 11,13 1.701,14 7.177,15 1.566,16 3.584,17 3.72,18 2.01,19 1.997,20 0.194,21 2.047,22 138.219,23 140.974,24 140.974,25 10.517,26 1.679,27 2.069,28 4.898,29 -1,30 -0.946,31 0.241,32 0.179,33 7.695,34 5,35 113,36 0.012,37 3.498,38 3.244,39 3.239,40 33.382,41 0.5,42 2.844,43 0.026,44 10,45 319.64,46 63.065,47 0.621,48 172.974,49 34,50 35,51 21.313,52 2.383,53 2.501,54 0.365,55 0.241,56 0.89,57 0.761,58 0.81,59 19.477,60 122.692,61 209.71,62 291.13,63 9.101,64 3.061,65 5}
{0 CHEMBL20429,1 3.486,2 11.692,3 3.669,4 6.887,5 1.813,6 1.762,7 1.96,8 1.988,9 6.057,10 83.945,11 83.945,12 10,13 2.036,14 17.626,15 2.441,16 4.247,17 4.394,18 2.941,19 2.91,20 0.112,21 2.871,22 257.91,23 276.93,24 276.93,25 26.535,26 1.83,27 3.472,28 5.854,29 1,30 0.983,31 0.138,32 0.105,33 22.93,34 4,35 304,36 0.123,37 3.854,38 3.69,39 3.675,40 64.647,41 2,42 3.914,43 0.105,44 26.84,45 577.754,46 107.101,47 1.761,48 398.93,49 66,50 69,51 39.387,52 3.111,53 3.206,54 1.146,55 1.064,56 1.487,57 1.376,58 1.427,59 35.482,60 213.809,61 379.3,62 513.455,63 16.567,64 3.939,65 6.699}
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{0 CHEMBL20439,1 3.377,2 10.625,3 3.515,4 6.141,5 1.678,6 1.623,7 1.855,8 1.877,9 5.866,10 70.156,11 70.156,12 14,13 1.926,14 13.442,15 2.444,16 4.055,17 4.189,18 2.838,19 2.825,20 0.143,21 2.822,22 266.465,23 273.22,24 273.22,25 19.37,26 1.823,27 3.316,28 5.75,29 1.049,30 0.983,31 0.154,32 0.117,33 19.292,34 8,35 255,36 0.082,37 3.741,38 3.544,39 3.536,40 54.01,41 2.076,42 3.679,43 0.107,44 22.66,45 495.244,46 97.527,47 1.587,48 317.975,49 55,50 57,51 34.336,52 3.036,53 3.118,54 1.041,55 0.963,56 1.384,57 1.288,58 1.325,59 31.353,60 193.107,61 341.9,62 462.94,63 14.954,64 3.8,65 5.523}
{0 CHEMBL20462,1 3.082,2 8.526,3 3.206,4 5.092,5 1.672,6 1.615,7 1.827,8 1.852,9 5.5,10 52.949,11 52.949,12 13,13 1.89,14 10.147,15 1.915,16 3.795,17 3.929,18 2.735,19 2.715,20 0.181,21 2.687,22 182.213,23 190.477,24 190.477,25 14.588,26 1.815,27 2.74,28 5.268,29 -0.087,30 -0.078,31 0.19,32 0.143,33 12.796,34 7,35 162,36 0.029,37 3.723,38 3.539,39 3.527,40 41.149,41 1.208,42 3.249,43 0.041,44 13.839,45 374.123,46 78.326,47 1.031,48 226.477,49 42,50 44,51 26.836,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 24.531,60 150.741,61 263.91,62 359.568,63 11.554,64 3.452,65 4.398}
{0 CHEMBL20463,1 3.218,2 9.478,3 3.394,4 5.753,5 1.717,6 1.661,7 1.871,8 1.893,9 5.864,10 66.508,11 66.508,12 21,13 1.923,14 15.9,15 2.397,16 4.064,17 4.207,18 2.735,19 2.718,20 0.135,21 2.708,22 255.173,23 257.928,24 257.928,25 23.382,26 1.88,27 3.117,28 5.769,29 1,30 0.983,31 0.173,32 0.133,33 19.642,34 10,35 218,36 0.111,37 3.775,38 3.588,39 3.58,40 54.567,41 2,42 3.469,43 0.161,44 19.183,45 516.409,46 97.321,47 1.633,48 325.212,49 56,50 58,51 34.643,52 2.9,53 3.009,54 0.934,55 0.837,56 1.417,57 1.239,58 1.308,59 31.165,60 192.038,61 335.75,62 460.332,63 15.04,64 3.764,65 7.699}
{0 CHEMBL20464,1 2.987,2 7.889,3 3.135,4 4.886,5 1.571,6 1.507,7 1.755,8 1.787,9 5.4,10 51.618,11 51.618,12 12,13 1.845,14 10.112,15 1.85,16 3.779,17 3.914,18 2.602,19 2.578,20 0.163,21 2.548,22 182.905,23 185.66,24 185.66,25 14.607,26 1.695,27 2.67,28 5.213,29 -0.319,30 -0.293,31 0.199,32 0.151,33 12.337,34 7,35 142,36 0.017,37 3.71,38 3.528,39 3.515,40 40.149,41 0.846,42 3.162,43 0.039,44 12.494,45 372.223,46 74.547,47 0.974,48 219.66,49 41,50 43,51 25.836,52 2.763,53 2.852,54 0.608,55 0.516,56 0.974,57 0.873,58 0.9,59 23.531,60 144.076,61 249.25,62 343.306,63 10.963,64 3.359,65 5.699}
{0 CHEMBL2047120,1 3.704,2 13.548,3 3.85,4 7.604,5 1.83,6 1.786,7 1.956,8 1.96,9 6.142,10 91.469,11 91.469,12 10,13 1.965,14 13.634,15 2.889,16 4.137,17 4.25,18 2.876,19 2.868,20 0.109,21 2.866,22 274.475,23 282.475,24 288.475,25 18.836,26 1.884,27 3.831,28 6.261,29 1.5,30 1,31 0.119,32 0.091,33 20.253,34 7,35 420,36 0.206,37 3.891,38 3.726,39 3.728,40 57.698,41 2.5,42 4.227,43 0.285,44 34.843,45 549.707,46 113.611,47 1.832,48 332.475,49 57,50 60,51 37.148,52 3.05,53 3.112,54 1.024,55 0.972,56 1.254,57 1.256,58 1.259,59 35.802,60 215.968,61 391.91,62 518.721,63 17.215,64 4.097,65 5.06}
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{0 CHEMBL2047234,1 3.655,2 13.033,3 3.816,4 7.452,5 1.723,6 1.676,7 1.891,8 1.902,9 6.106,10 91.115,11 91.115,12 8,13 1.918,14 15.76,15 2.828,16 4.15,17 4.258,18 2.941,19 2.91,20 0.113,21 2.866,22 301.008,23 301.008,24 301.008,25 20.664,26 1.81,27 3.825,28 6.03,29 1.337,30 1,31 0.123,32 0.094,33 20.769,34 6,35 391,36 0.174,37 3.852,38 3.73,39 3.722,40 58.076,41 2.432,42 4.177,43 0.202,44 32.356,45 570.361,46 118.476,47 1.798,48 339.763,49 58,50 61,51 38.375,52 3.111,53 3.206,54 1.153,55 1.064,56 1.379,57 1.376,58 1.429,59 35.937,60 222.033,61 392.41,62 533.522,63 18.014,64 4.135,65 7.721}
{0 CHEMBL2047235,1 3.711,2 13.613,3 3.862,4 7.663,5 1.723,6 1.676,7 1.891,8 1.902,9 6.141,10 94.529,11 94.529,12 10,13 1.918,14 16.204,15 2.828,16 4.194,17 4.306,18 2.941,19 2.91,20 0.109,21 2.866,22 318.265,23 318.265,24 318.265,25 21.443,26 1.81,27 3.884,28 6.094,29 1.337,30 1,31 0.119,32 0.091,33 21.006,34 6,35 422,36 0.182,37 3.87,38 3.733,39 3.73,40 60.96,41 2.432,42 4.233,43 0.242,44 34.574,45 596.437,46 123.317,47 1.866,48 361.775,49 61,50 64,51 40.137,52 3.111,53 3.206,54 1.153,55 1.064,56 1.49,57 1.376,58 1.429,59 37.464,60 231.626,61 409.71,62 556.927,63 18.937,64 4.159,65 6.848}
{0 CHEMBL2047236,1 3.657,2 13.161,3 3.841,4 7.593,5 1.728,6 1.684,7 1.893,8 1.903,9 6.172,10 94.529,11 94.529,12 9,13 1.919,14 16.145,15 2.828,16 4.194,17 4.306,18 2.941,19 2.91,20 0.11,21 2.977,22 318.265,23 318.265,24 318.265,25 21.313,26 1.812,27 3.903,28 6.062,29 1.5,30 1,31 0.12,32 0.092,33 21.61,34 6,35 408,36 0.186,37 3.873,38 3.732,39 3.729,40 60.96,41 2.5,42 4.215,43 0.212,44 33.902,45 596.437,46 123.517,47 1.878,48 361.775,49 61,50 64,51 40.137,52 3.111,53 3.206,54 1.153,55 1.064,56 1.382,57 1.376,58 1.429,59 37.464,60 231.626,61 409.71,62 556.927,63 18.937,64 4.19,65 7.991}
{0 CHEMBL2047237,1 3.652,2 13.034,3 3.827,4 7.502,5 1.72,6 1.672,7 1.887,8 1.897,9 6.142,10 89.805,11 89.805,12 8,13 1.911,14 15.237,15 2.888,16 4.084,17 4.193,18 2.913,19 2.91,20 0.116,21 2.866,22 276.764,23 276.764,24 276.764,25 19.159,26 1.809,27 3.694,28 6.003,29 1.347,30 1,31 0.126,32 0.097,33 19.879,34 8,35 378,36 0.139,37 3.856,38 3.733,39 3.725,40 54.378,41 2.418,42 4.124,43 0.143,44 33.158,45 532.002,46 112.229,47 1.726,48 310.764,49 54,50 57,51 36.097,52 3.111,53 3.155,54 1.145,55 1.064,56 1.279,57 1.357,58 1.364,59 34.079,60 209.643,61 372.39,62 503.289,63 16.984,64 4.093,65 5.886}
{0 CHEMBL2047238,1 3.656,2 13.167,3 3.855,4 7.664,5 1.726,6 1.682,7 1.889,8 1.899,9 6.206,10 93.296,11 93.296,12 9,13 1.912,14 15.639,15 2.888,16 4.132,17 4.243,18 2.925,19 2.91,20 0.113,21 2.938,22 293.72,23 293.72,24 293.72,25 19.815,26 1.811,27 3.74,28 6.033,29 1.5,30 1,31 0.123,32 0.095,33 20.629,34 8,35 395,36 0.147,37 3.876,38 3.734,39 3.731,40 57.261,41 2.5,42 4.163,43 0.183,44 34.747,45 558.079,46 117.27,47 1.81,48 332.475,49 57,50 60,51 37.858,52 3.111,53 3.171,54 1.145,55 1.064,56 1.357,57 1.36,58 1.386,59 35.606,60 219.235,61 389.69,62 526.694,63 17.907,64 4.15,65 5.695}
{0 CHEMBL2047239,1 3.714,2 13.7,3 3.892,4 7.809,5 1.721,6 1.675,7 1.892,8 1.901,9 6.179,10 91.115,11 91.115,12 8,13 1.914,14 16.403,15 2.828,16 4.15,17 4.258,18 2.941,19 2.91,20 0.113,21 2.906,22 301.008,23 301.008,24 301.008,25 21.194,26 1.811,27 3.745,28 5.944,29 1.359,30 1,31 0.123,32 0.094,33 21.056,34 8,35 411,36 0.151,37 3.856,38 3.733,39 3.725,40 58.076,41 2.428,42 4.216,43 0.153,44 35.444,45 570.361,46 118.476,47 1.779,48 339.763,49 58,50 61,51 38.375,52 3.111,53 3.206,54 1.145,55 1.064,56 1.406,57 1.376,58 1.427,59 35.937,60 222.033,61 392.41,62 533.522,63 18.014,64 4.132,65 6.686}
{0 CHEMBL2047240,1 3.773,2 14.355,3 3.94,4 8.043,5 1.721,6 1.675,7 1.892,8 1.901,9 6.212,10 94.529,11 94.529,12 10,13 1.914,14 16.848,15 2.828,16 4.194,17 4.306,18 2.941,19 2.91,20 0.109,21 2.921,22 318.265,23 318.265,24 318.265,25 21.966,26 1.811,27 3.812,28 6.014,29 1.363,30 1,31 0.119,32 0.091,33 21.241,34 8,35 445,36 0.184,37 3.873,38 3.735,39 3.732,40 60.96,41 2.428,42 4.274,43 0.193,44 37.925,45 596.437,46 123.317,47 1.845,48 361.775,49 61,50 64,51 40.137,52 3.111,53 3.206,54 1.145,55 1.064,56 1.477,57 1.376,58 1.427,59 37.464,60 231.626,61 409.71,62 556.927,63 18.937,64 4.156,65 5.87}
{0 CHEMBL20479,1 3.295,2 10,3 3.424,4 5.806,5 1.715,6 1.665,7 1.858,8 1.873,9 5.725,10 57.803,11 57.803,12 21,13 1.893,14 12.896,15 2.352,16 3.908,17 4.027,18 2.735,19 2.715,20 0.13,21 2.687,22 220.474,23 230.084,24 234.084,25 18.112,26 1.92,27 3.08,28 5.52,29 1.043,30 0.983,31 0.157,32 0.12,33 15.144,34 9,35 230,36 0.049,37 3.774,38 3.604,39 3.601,40 45.149,41 2.083,42 3.635,43 0.111,44 19.198,45 424.092,46 95.778,47 1.304,48 254.084,49 46,50 49,51 30.836,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 28.531,60 172.935,61 301.93,62 413.721,63 13.358,64 3.71,65 7}
{0 CHEMBL20481,1 3.079,2 8.6,3 3.219,4 5.193,5 1.646,6 1.576,7 1.835,8 1.856,9 5.621,10 60.386,11 60.386,12 7,13 1.879,14 11.546,15 2.218,16 3.893,17 4.036,18 2.715,19 2.702,20 0.15,21 2.697,22 215.329,23 221.329,24 221.329,25 17.174,26 1.822,27 2.88,28 5.459,31 0.181,32 0.138,33 15.204,34 1,35 172,36 0.041,37 3.724,38 3.489,39 3.486,40 45.134,41 1.153,42 3.282,43 0.06,44 14.4,45 414.443,46 83.953,47 1.195,48 254.084,49 46,50 48,51 28.603,52 2.87,53 2.95,54 0.869,55 0.801,56 1.153,57 1.102,58 1.122,59 26.079,60 160.463,61 277.55,62 383.289,63 12.463,64 3.581,65 7}
{0 CHEMBL20491,1 3.27,2 9.952,3 3.41,4 5.728,5 1.684,6 1.625,7 1.854,8 1.874,9 5.638,10 63.456,11 63.456,12 11,13 1.895,14 12.155,15 2.378,16 3.95,17 4.096,18 2.735,19 2.715,20 0.142,21 2.687,22 230.366,23 234.366,24 234.366,25 17.904,26 1.819,27 3.017,28 5.397,29 0.556,30 0.471,31 0.173,32 0.131,33 14.8,34 6,35 209,36 0.078,37 3.746,38 3.55,39 3.54,40 48.018,41 1.641,42 3.417,43 0.088,44 17.32,45 441.529,46 89.342,47 1.162,48 275.121,49 49,50 51,51 30.364,52 2.855,53 2.942,54 0.886,55 0.821,56 1.2,57 1.114,58 1.147,59 27.606,60 170.055,61 294.85,62 406.694,63 13.093,64 3.59,65 6.398}
{0 CHEMBL20499,1 3.412,2 10.889,3 3.572,4 6.41,5 1.723,6 1.67,7 1.875,8 1.887,9 6.013,10 75.327,11 75.327,12 18,13 1.907,14 15.647,15 2.94,16 4.082,17 4.209,18 2.845,19 2.837,20 0.118,21 2.844,22 272.465,23 281.22,24 281.22,25 22.376,26 1.921,27 3.549,28 5.95,29 1.483,30 1,31 0.138,32 0.106,33 20.307,34 11,35 294,36 0.107,37 3.789,38 3.603,39 3.601,40 54.345,41 2.486,42 3.886,43 0.187,44 25.693,45 511.015,46 108.164,47 1.754,48 317.975,49 55,50 58,51 35.819,52 2.991,53 3.066,54 0.994,55 0.926,56 1.274,57 1.198,58 1.23,59 33.321,60 202.91,61 356.32,62 486.86,63 15.896,64 3.976,65 7.301}
{0 CHEMBL20502,1 3.229,2 9.35,3 3.383,4 5.692,5 1.622,6 1.569,7 1.81,8 1.829,9 5.621,10 59.55,11 59.55,12 11,13 1.872,14 10.182,15 2.418,16 3.85,17 3.983,18 2.726,19 2.705,20 0.174,21 2.683,22 202.869,23 205.624,24 205.624,25 15.032,26 1.709,27 2.776,28 5.491,31 0.184,32 0.137,33 13.848,34 6,35 187,36 0.074,37 3.688,38 3.48,39 3.475,40 44.36,41 1.114,42 3.291,43 0.084,44 17.1,45 422.876,46 81.159,47 1.135,48 247.133,49 45,50 46,51 28.052,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.773,60 162.131,61 285.06,62 387.359,63 12.548,64 3.492,65 6.097}
{0 CHEMBL20526,1 3.487,2 11.444,3 3.634,4 6.655,5 1.855,6 1.81,7 1.963,8 1.981,9 5.921,10 72.291,11 72.291,12 19,13 2.009,14 14.324,15 2.457,16 4.091,17 4.212,18 2.873,19 2.858,20 0.123,21 2.847,22 263.702,23 279.212,24 281.212,25 19.914,26 1.88,27 3.591,28 5.827,29 1.5,30 1,31 0.133,32 0.102,33 19.945,34 8,35 309,36 0.119,37 3.891,38 3.747,39 3.74,40 55.127,41 2.5,42 4.011,43 0.104,44 26.414,45 508.375,46 108.472,47 1.703,48 325.212,49 56,50 59,51 36.574,52 3.037,53 3.102,54 1.027,55 0.973,56 1.245,57 1.247,58 1.25,59 33.826,60 205.708,61 362.62,62 493.688,63 15.926,64 3.902,65 5.523}
{0 CHEMBL20571,1 3.05,2 8.786,3 3.191,4 5.099,5 1.765,6 1.744,7 1.904,8 1.895,9 6.204,10 79.551,11 79.551,12 13,13 1.885,14 18.993,15 2.932,16 4.165,17 4.272,18 2.892,19 2.881,20 0.124,21 2.891,22 309.72,23 313.72,24 313.72,25 26.624,26 1.807,27 3.516,28 6.166,29 1.414,30 1.269,31 0.147,32 0.117,33 24.656,34 11,35 246,36 0.054,37 3.739,38 3.623,39 3.62,40 56.781,41 2.414,42 3.717,43 0.132,44 21.735,45 511.269,46 106.979,47 2.055,48 332.475,49 57,50 62,51 36.483,52 3.088,53 3.167,54 1.092,55 1.019,56 1.401,57 1.32,58 1.354,59 34.256,60 198.104,61 357,62 475.133,63 16.381,64 4.364,65 4.097}
{0 CHEMBL20593,1 3.395,2 10.72,3 3.527,4 6.195,5 1.785,6 1.739,7 1.909,8 1.926,9 5.922,10 65.841,11 65.841,12 22,13 1.954,14 15.888,15 2.266,16 4.051,17 4.18,18 2.749,19 2.737,20 0.121,21 2.744,22 243.254,23 252.764,24 260.764,25 22.552,26 1.917,27 3.304,28 5.775,29 1.414,30 1,31 0.147,32 0.113,33 21.087,34 13,35 268,36 0.07,37 3.831,38 3.678,39 3.673,40 52.8,41 2.414,42 3.804,43 0.144,44 22.816,45 493.416,46 103.715,47 1.762,48 310.764,49 54,50 57,51 35.12,52 2.911,53 2.984,54 0.915,55 0.847,56 1.228,57 1.142,58 1.174,59 32.111,60 195.047,61 339.17,62 467.674,63 14.927,64 3.865,65 6.222}
{0 CHEMBL20601,1 3.173,2 9.348,3 3.331,4 5.577,5 1.747,6 1.692,7 1.903,8 1.921,9 5.869,10 70.168,11 70.168,12 5,13 1.949,14 11.528,15 2.343,16 3.972,17 4.102,18 2.774,19 2.766,20 0.13,21 2.775,22 234.078,23 240.078,24 240.078,25 17.029,26 1.836,27 3.164,28 5.662,29 1,30 0.983,31 0.161,32 0.125,33 15.976,34 4,35 215,36 0.049,37 3.773,38 3.591,39 3.58,40 47.68,41 2,42 3.558,43 0.127,44 17.656,45 439.523,46 88.859,47 1.285,48 268.078,49 48,50 51,51 30.302,52 2.916,53 2.987,54 0.945,55 0.888,56 1.17,57 1.155,58 1.163,59 28.289,60 170.525,61 288.74,62 407.841,63 13.434,64 3.826,65 6}
{0 CHEMBL20615,1 2.864,2 7.118,3 2.928,4 4.324,5 1.567,6 1.504,7 1.744,8 1.772,9 5.2,10 48.579,11 48.579,12 12,13 1.815,14 7.847,15 1.704,16 3.711,17 3.845,18 2.353,19 2.34,20 0.177,21 2.359,22 177.421,23 185.421,24 187.421,25 11.484,26 1.804,27 2.208,28 5.114,29 -0.512,30 -0.458,31 0.214,32 0.162,33 10.224,34 5,35 121,37 3.517,38 3.33,39 3.316,40 37.265,41 0.645,42 3.027,44 9.204,45 343.828,46 69.261,47 0.819,48 199.421,49 38,50 40,51 24.074,52 2.549,53 2.626,54 0.389,55 0.269,56 0.837,57 0.826,58 0.829,59 22.004,60 134.484,61 231.95,62 319.9,63 10.231,64 3.243,65 5.523}
{0 CHEMBL206203,1 3.365,2 10.565,3 3.497,4 6.046,5 1.673,6 1.61,7 1.848,8 1.866,9 5.753,10 70.076,11 70.076,12 5,13 1.893,14 12.1,15 2.356,16 4.014,17 4.16,18 2.735,19 2.715,20 0.132,21 2.699,22 252.913,23 255.668,24 255.668,25 18.875,26 1.795,27 3.239,28 5.679,29 1,30 0.96,31 0.159,32 0.122,33 16.972,34 1,35 243,36 0.058,37 3.749,38 3.534,39 3.529,40 51.12,41 2,42 3.604,43 0.107,44 21.316,45 476.837,46 97.921,47 1.408,48 296.423,49 52,50 54,51 32.37,52 2.873,53 2.958,54 0.886,55 0.821,56 1.201,57 1.13,58 1.162,59 29.627,60 183.514,61 320.51,62 439.535,63 14.142,64 3.723,65 7}
{0 CHEMBL206204,1 3.283,2 9.909,3 3.409,4 5.736,5 1.641,6 1.573,7 1.832,8 1.847,9 5.727,10 65.156,11 65.156,12 4,13 1.863,14 11.37,15 2.378,16 3.924,17 4.065,18 2.735,19 2.715,20 0.138,21 2.698,22 222.311,23 225.066,24 225.066,25 17.405,26 1.789,27 3.058,28 5.64,29 1,30 0.96,31 0.166,32 0.127,33 15.111,34 1,35 218,36 0.045,37 3.73,38 3.491,39 3.493,40 46.352,41 2,42 3.493,43 0.097,44 18.975,45 442.327,46 90.665,47 1.269,48 261.066,49 47,50 49,51 29.847,52 2.872,53 2.952,54 0.886,55 0.821,56 1.181,57 1.106,58 1.124,59 27.574,60 170.995,61 300.57,62 408.987,63 13.065,64 3.679,65 7}
{0 CHEMBL20646,1 3.476,2 11.481,3 3.634,4 6.614,5 1.724,6 1.671,7 1.876,8 1.888,9 6.033,10 75.327,11 75.327,12 18,13 1.907,14 15.606,15 2.947,16 4.082,17 4.209,18 2.844,19 2.836,20 0.118,21 2.846,22 272.465,23 281.22,24 281.22,25 22.384,26 1.921,27 3.421,28 5.958,29 1.483,30 1,31 0.138,32 0.106,33 20.352,34 11,35 310,36 0.111,37 3.79,38 3.604,39 3.602,40 54.345,41 2.486,42 3.904,43 0.177,44 27.514,45 511.015,46 108.164,47 1.731,48 317.975,49 55,50 58,51 35.819,52 2.991,53 3.067,54 0.994,55 0.926,56 1.273,57 1.202,58 1.231,59 33.321,60 202.91,61 356.32,62 486.86,63 15.896,64 3.976,65 5.699}
{0 CHEMBL20647,1 2.596,2 5.813,3 2.667,4 3.783,5 1.556,6 1.487,7 1.756,8 1.776,9 5.3,10 50.26,11 50.26,12 8,13 1.795,14 8.799,15 2.132,16 3.776,17 3.922,18 2.069,19 2.017,20 0.181,21 2.028,22 161.66,23 165.66,24 165.66,25 12.912,26 1.824,27 0.977,28 5.187,29 -0.375,30 -0.352,31 0.222,32 0.169,33 11.616,34 2,35 93,37 3.382,38 3.127,39 3.104,40 40.032,41 0.625,42 2.862,44 7.375,45 352.802,46 66.247,47 0.89,48 219.66,49 41,50 43,51 24.597,52 2.346,53 2.496,54 0.626,55 0.512,56 1.063,57 0.942,58 0.986,59 22.058,60 133.674,61 233.47,62 317.924,63 10.275,64 3.239,65 4.699}
{0 CHEMBL20656,1 3.663,2 13.357,3 3.869,4 7.874,5 1.818,6 1.766,7 1.966,8 1.995,9 6.076,10 89.981,11 89.981,12 12,13 2.043,14 18.301,15 2.53,16 4.326,17 4.475,18 2.945,19 2.93,20 0.104,21 2.942,22 293.215,23 312.235,24 312.235,25 27.366,26 1.847,27 3.366,28 5.887,29 1.129,30 1.107,31 0.127,32 0.097,33 24.832,34 8,35 374,36 0.083,37 3.858,38 3.692,39 3.677,40 70.414,41 2.129,42 4.176,43 0.171,44 31.429,45 629.908,46 116.303,47 1.897,48 444.235,49 72,50 75,51 42.91,52 3.144,53 3.222,54 1.153,55 1.07,56 1.494,57 1.389,58 1.428,59 38.535,60 232.994,61 413.9,62 560.266,63 17.981,64 3.95,65 6}
{0 CHEMBL20657,1 3.159,2 9.143,3 3.295,4 5.341,5 1.666,6 1.615,7 1.818,8 1.84,9 5.672,10 65.607,11 65.607,12 11,13 1.858,14 11.997,15 2.395,16 3.884,17 4.006,18 2.735,19 2.715,20 0.165,21 2.687,22 207.133,23 211.133,24 211.133,25 17.164,26 1.817,27 3.097,28 5.545,29 0.096,30 0.085,31 0.192,32 0.15,33 14.759,34 7,35 192,36 0.078,37 3.723,38 3.547,39 3.537,40 44.683,41 1.183,42 3.312,43 0.072,44 16,45 450.614,46 85.394,47 1.104,48 247.133,49 45,50 47,51 28.909,52 2.854,53 2.925,54 0.886,55 0.821,56 1.169,57 1.062,58 1.107,59 26.6,60 165.998,61 290.55,62 396.794,63 13.096,64 3.699,65 6.301}
{0 CHEMBL206611,1 3.348,2 10.545,3 3.481,4 5.964,5 1.653,6 1.585,7 1.843,8 1.858,9 5.779,10 66.925,11 66.925,12 4,13 1.873,14 12.368,15 2.28,16 3.961,17 4.106,18 2.735,19 2.715,20 0.138,21 2.69,22 234.366,23 237.121,24 237.121,25 18.53,26 1.793,27 3.1,28 5.628,29 1,30 0.965,31 0.166,32 0.127,33 15.589,34 1,35 232,36 0.074,37 3.743,38 3.502,39 3.504,40 48.236,41 2,42 3.517,43 0.107,44 20.066,45 450.761,46 92.248,47 1.268,48 275.121,49 49,50 51,51 30.608,52 2.863,53 2.948,54 0.886,55 0.821,56 1.181,57 1.104,58 1.126,59 28.101,60 173.922,61 303.21,62 416.13,63 13.272,64 3.681,65 7}
{0 CHEMBL206612,1 3.373,2 10.696,3 3.538,4 6.214,5 1.686,6 1.626,7 1.857,8 1.875,9 5.816,10 70.076,11 70.076,12 5,13 1.9,14 13.094,15 2.451,16 4.014,17 4.16,18 2.735,19 2.715,20 0.132,21 2.713,22 250.913,23 253.668,24 253.668,25 19.5,26 1.798,27 3.193,28 5.729,29 1,30 0.965,31 0.159,32 0.122,33 17.577,34 1,35 246,36 0.086,37 3.761,38 3.553,39 3.548,40 51.12,41 2,42 3.583,43 0.117,44 22.423,45 476.837,46 96.53,47 1.413,48 296.423,49 52,50 54,51 32.37,52 2.889,53 2.981,54 0.886,55 0.821,56 1.256,57 1.149,58 1.189,59 29.627,60 183.514,61 320.51,62 439.535,63 14.194,64 3.735,65 7}
{0 CHEMBL20664,1 3.063,2 8.45,3 3.193,4 5.04,5 1.676,6 1.613,7 1.843,8 1.866,9 5.652,10 60.386,11 60.386,12 6,13 1.899,14 11.923,15 2.084,16 3.893,17 4.036,18 2.711,19 2.7,20 0.152,21 2.687,22 220.574,23 227.329,24 227.329,25 17.68,26 1.816,27 2.784,28 5.543,31 0.183,32 0.14,33 16.195,34 2,35 169,36 0.029,37 3.739,38 3.532,39 3.526,40 45.134,41 1.082,42 3.264,43 0.041,44 14.31,45 418.628,46 83.33,47 1.279,48 254.084,49 46,50 48,51 28.603,52 2.854,53 2.925,54 0.871,55 0.797,56 1.181,57 1.062,58 1.107,59 26.079,60 160.463,61 277.55,62 383.289,63 12.41,64 3.606,65 6.523}
{0 CHEMBL20689,1 3.296,2 10.091,3 3.467,4 5.98,5 1.693,6 1.633,7 1.869,8 1.888,9 5.71,10 66.506,11 66.506,12 11,13 1.908,14 13.112,15 2.395,16 4.005,17 4.15,18 2.735,19 2.715,20 0.136,21 2.687,22 238.913,23 242.913,24 242.913,25 19.285,26 1.821,27 3.14,28 5.443,29 1,30 0.971,31 0.166,32 0.126,33 15.697,34 6,35 222,36 0.095,37 3.759,38 3.558,39 3.549,40 50.901,41 2,42 3.477,43 0.104,44 19.174,45 470.353,46 93.576,47 1.23,48 296.423,49 52,50 54,51 32.126,52 2.874,53 3.009,54 0.934,55 0.821,56 1.417,57 1.239,58 1.308,59 29.133,60 179.647,61 312.15,62 430.1,63 14.04,64 3.658,65 6.523}
{0 CHEMBL207007,1 3.283,2 9.909,3 3.409,4 5.736,5 1.651,6 1.582,7 1.839,8 1.856,9 5.726,10 66.925,11 66.925,12 4,13 1.872,14 11.688,15 2.352,16 3.961,17 4.106,18 2.735,19 2.715,20 0.138,21 2.699,22 234.366,23 237.121,24 237.121,25 18.104,26 1.792,27 3.081,28 5.646,29 1,30 0.96,31 0.166,32 0.127,33 16.005,34 1,35 218,36 0.045,37 3.738,38 3.499,39 3.499,40 48.236,41 2,42 3.493,43 0.097,44 18.975,45 450.761,46 92.248,47 1.314,48 275.121,49 49,50 51,51 30.608,52 2.873,53 2.953,54 0.886,55 0.821,56 1.181,57 1.106,58 1.124,59 28.101,60 173.922,61 303.21,62 416.13,63 13.272,64 3.686,65 7}
{0 CHEMBL20709,1 2.848,2 7,3 2.907,4 4.232,5 1.454,6 1.386,7 1.643,8 1.665,9 5.358,10 48.579,11 48.579,12 10,13 1.697,14 8.858,15 1.911,16 3.711,17 3.844,18 2.376,19 2.362,20 0.175,21 2.379,22 175.421,23 183.421,24 185.421,25 12.908,26 1.793,27 2.162,28 5.097,29 -0.581,30 -0.511,31 0.211,32 0.161,33 10.809,34 3,35 119,37 3.528,38 3.301,39 3.294,40 37.265,41 0.691,42 2.998,44 9.502,45 342.39,46 70.285,47 0.839,48 199.421,49 38,50 40,51 24.074,52 2.598,53 2.691,54 0.597,55 0.503,56 0.973,57 0.872,58 0.906,59 22.004,60 134.484,61 231.95,62 319.9,63 10.308,64 3.346,65 5.301}
{0 CHEMBL20719,1 3.082,2 8.526,3 3.206,4 5.092,5 1.641,6 1.572,7 1.825,8 1.846,9 5.518,10 57.29,11 57.29,12 6,13 1.871,14 10.157,15 1.937,16 3.833,17 3.974,18 2.71,19 2.699,20 0.156,21 2.687,22 190.574,23 197.329,24 197.329,25 15.206,26 1.816,27 2.751,28 5.324,29 -0.078,30 -0.072,31 0.188,32 0.143,33 12.953,35 162,36 0.029,37 3.716,38 3.486,39 3.483,40 42.251,41 0.973,42 3.249,43 0.041,44 13.839,45 388.366,46 78.912,47 1.031,48 233.329,49 43,50 45,51 26.841,52 2.854,53 2.925,54 0.865,55 0.797,56 1.146,57 1.062,58 1.107,59 24.552,60 150.87,61 260.25,62 359.884,63 11.54,64 3.471,65 6.523}
{0 CHEMBL207191,1 3.485,2 11.519,3 3.65,4 6.741,5 1.809,6 1.762,7 1.929,8 1.946,9 5.832,10 80.506,11 80.506,12 10,13 1.956,14 15.093,15 2.667,16 4.088,17 4.219,18 2.875,19 2.793,20 0.111,21 2.866,22 272.365,23 281.975,24 281.975,25 21.195,26 1.877,27 4.03,28 5.808,29 1.5,30 1,31 0.133,32 0.102,33 20.456,34 2,35 311,36 0.107,37 3.864,38 3.7,39 3.702,40 54.349,41 2.5,42 3.987,43 0.129,44 27.278,45 527.388,46 115.32,47 1.699,48 317.975,49 55,50 58,51 36.722,52 2.88,53 2.961,54 0.886,55 0.831,56 1.181,57 1.114,58 1.142,59 33.653,60 210.957,61 363.15,62 506.495,63 17.261,64 4.134,65 7.328}
{0 CHEMBL20720,1 3.744,2 14.172,3 3.959,4 8.366,5 1.821,6 1.768,7 1.969,8 1.998,9 6.105,10 92.981,11 92.981,12 13,13 2.046,14 18.945,15 2.554,16 4.364,17 4.513,18 2.945,19 2.932,20 0.101,21 2.951,22 306.923,23 333.161,24 333.161,25 28.294,26 1.853,27 3.461,28 5.911,29 1.145,30 1.123,31 0.123,32 0.094,33 25.444,34 9,35 411,36 0.14,37 3.859,38 3.693,39 3.678,40 73.297,41 2.145,42 4.301,43 0.154,44 33.774,45 655.985,46 120.904,47 1.939,48 467.161,49 75,50 78,51 44.671,52 3.151,53 3.223,54 1.153,55 1.071,56 1.508,57 1.399,58 1.429,59 40.062,60 242.587,61 431.2,62 583.671,63 18.688,64 3.976,65 6.699}
{0 CHEMBL20721,1 3.295,2 10,3 3.424,4 5.806,5 1.723,6 1.666,7 1.877,8 1.896,9 5.835,10 64.945,11 64.945,12 21,13 1.92,14 14.997,15 2.308,16 4.048,17 4.186,18 2.749,19 2.739,20 0.127,21 2.762,22 254.009,23 260.764,24 266.764,25 21.894,26 1.908,27 3.135,28 5.662,29 1,30 0.983,31 0.157,32 0.12,33 18.235,34 9,35 230,36 0.049,37 3.784,38 3.593,39 3.587,40 52.683,41 2,42 3.635,43 0.111,44 19.198,45 473.995,46 95.645,47 1.513,48 310.764,49 54,50 57,51 33.881,52 2.958,53 3.033,54 0.946,55 0.87,56 1.312,57 1.221,58 1.25,59 30.638,60 184.644,61 323.39,62 442.292,63 14.239,64 3.763,65 7.222}
{0 CHEMBL207239,1 3.365,2 10.565,3 3.497,4 6.046,5 1.65,6 1.584,7 1.835,8 1.852,9 5.715,10 73.096,11 73.096,12 5,13 1.865,14 14.687,15 2.359,16 3.962,17 4.101,18 2.735,19 2.715,20 0.132,21 2.812,22 236.366,23 239.121,24 239.121,25 19.136,26 1.792,27 4.053,28 5.651,29 1,30 0.96,31 0.159,32 0.122,33 17.984,34 1,35 243,36 0.058,37 3.736,38 3.703,39 3.518,40 48.305,41 2,42 3.604,43 0.107,44 21.316,45 487.955,46 104.653,47 1.451,48 275.121,49 49,50 51,51 33.268,52 2.873,53 2.952,54 0.886,55 0.821,56 1.181,57 1.106,58 1.124,59 29.417,60 191.507,61 328.49,62 459.037,63 15.677,64 3.987,65 7}
{0 CHEMBL207251,1 3.194,2 9.238,3 3.322,4 5.468,5 1.642,6 1.57,7 1.838,8 1.855,9 5.684,10 65.454,11 65.454,12 4,13 1.873,14 11.324,15 2.338,16 3.942,17 4.089,18 2.726,19 2.715,20 0.144,21 2.698,22 224.568,23 227.323,24 227.323,25 17.755,26 1.788,27 2.954,28 5.573,29 0.577,30 0.55,31 0.173,32 0.132,33 14.814,34 1,35 194,36 0.045,37 3.732,38 3.482,39 3.483,40 47.236,41 1.577,42 3.388,43 0.081,44 16.68,45 434.343,46 87.833,47 1.206,48 268.078,49 48,50 50,51 29.608,52 2.872,53 2.951,54 0.886,55 0.821,56 1.181,57 1.106,58 1.124,59 27.101,60 167.257,61 288.55,62 399.867,63 12.987,64 3.637,65 6}
{0 CHEMBL20730,1 3.082,2 8.526,3 3.206,4 5.092,5 1.673,6 1.616,7 1.829,8 1.854,9 5.527,10 54.632,11 54.632,12 13,13 1.89,14 10.994,15 1.855,16 3.843,17 3.98,18 2.735,19 2.715,20 0.155,21 2.687,22 197.46,23 204.215,24 204.215,25 15.985,26 1.817,27 2.757,28 5.309,29 -0.078,30 -0.072,31 0.189,32 0.143,33 13.832,34 7,35 162,36 0.029,37 3.724,38 3.539,39 3.526,40 43.032,41 0.973,42 3.249,43 0.041,44 13.839,45 398.3,46 79.148,47 1.094,48 240.215,49 44,50 46,51 27.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.058,60 153.668,61 266.55,62 366.711,63 11.67,64 3.47,65 7.759}
{0 CHEMBL207303,1 3.557,2 12.259,3 3.741,4 7.123,5 1.812,6 1.764,7 1.93,8 1.948,9 5.875,10 80.506,11 80.506,12 10,13 1.959,14 15.795,15 2.718,16 4.088,17 4.219,18 2.876,19 2.802,20 0.111,21 2.866,22 272.365,23 281.975,24 281.975,25 21.688,26 1.877,27 3.655,28 5.795,29 1.495,30 1.026,31 0.133,32 0.101,33 20.391,34 2,35 331,36 0.086,37 3.866,38 3.703,39 3.704,40 54.349,41 2.496,42 4.026,43 0.121,44 29.893,45 527.388,46 115.32,47 1.67,48 317.975,49 55,50 58,51 36.722,52 2.965,53 3.047,54 0.939,55 0.866,56 1.216,57 1.18,58 1.198,59 33.653,60 210.957,61 363.15,62 506.495,63 17.261,64 4.131,65 7.959}
{0 CHEMBL207342,1 3.504,2 11.556,3 3.671,4 6.817,5 1.809,6 1.762,7 1.928,8 1.946,9 5.841,10 80.506,11 80.506,12 10,13 1.955,14 15.055,15 2.747,16 4.088,17 4.219,18 2.851,19 2.785,20 0.111,21 2.866,22 275.975,23 281.975,24 281.975,25 21.217,26 1.877,27 3.907,28 5.787,29 1.5,30 1,31 0.133,32 0.102,33 19.999,34 2,35 312,36 0.103,37 3.864,38 3.702,39 3.703,40 54.349,41 2.5,42 4.003,43 0.159,44 27.778,45 527.388,46 115.32,47 1.7,48 317.975,49 55,50 58,51 36.722,52 2.88,53 2.961,54 0.886,55 0.83,56 1.181,57 1.113,58 1.141,59 33.653,60 210.957,61 363.15,62 506.495,63 17.261,64 4.089,65 7.337}
{0 CHEMBL207402,1 3.575,2 12.296,3 3.761,4 7.199,5 1.812,6 1.764,7 1.93,8 1.947,9 5.884,10 80.506,11 80.506,12 10,13 1.957,14 15.758,15 2.777,16 4.088,17 4.219,18 2.855,19 2.801,20 0.11,21 2.866,22 275.975,23 281.975,24 281.975,25 21.71,26 1.877,27 3.848,28 5.778,29 1.495,30 1.026,31 0.133,32 0.101,33 19.933,34 2,35 332,36 0.111,37 3.866,38 3.704,39 3.705,40 54.349,41 2.496,42 4.042,43 0.121,44 30.428,45 527.388,46 115.32,47 1.672,48 317.975,49 55,50 58,51 36.722,52 2.965,53 3.046,54 0.939,55 0.866,56 1.215,57 1.178,58 1.197,59 33.653,60 210.957,61 363.15,62 506.495,63 17.261,64 4.086,65 7.18}
{0 CHEMBL20744,1 3.174,2 9.2,3 3.309,4 5.392,5 1.677,6 1.62,7 1.842,8 1.862,9 5.566,10 60.386,11 60.386,12 11,13 1.885,14 11.195,15 2.343,16 3.893,17 4.038,18 2.735,19 2.715,20 0.148,21 2.687,22 212.084,23 216.084,24 216.084,25 16.516,26 1.818,27 2.877,28 5.368,31 0.18,32 0.137,33 13.895,34 6,35 184,36 0.078,37 3.736,38 3.544,39 3.534,40 45.134,41 1.168,42 3.315,43 0.073,44 15.18,45 412.706,46 83.848,47 1.095,48 254.084,49 46,50 48,51 28.603,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.079,60 160.463,61 277.55,62 383.289,63 12.17,64 3.519,65 6.301}
{0 CHEMBL207652,1 3.348,2 10.545,3 3.481,4 5.964,5 1.641,6 1.573,7 1.834,8 1.848,9 5.786,10 65.156,11 65.156,12 4,13 1.859,14 12.063,15 2.346,16 3.924,17 4.065,18 2.735,19 2.715,20 0.138,21 2.687,22 222.311,23 225.066,24 225.066,25 17.858,26 1.79,27 3.087,28 5.611,29 1,30 0.965,31 0.166,32 0.127,33 14.824,34 1,35 232,36 0.074,37 3.733,38 3.492,39 3.496,40 46.352,41 2,42 3.517,43 0.107,44 20.066,45 442.327,46 90.665,47 1.234,48 261.066,49 47,50 49,51 29.847,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 27.574,60 170.995,61 300.57,62 408.987,63 13.065,64 3.673,65 6}
{0 CHEMBL207653,1 3.436,2 11.261,3 3.576,4 6.322,5 1.653,6 1.588,7 1.838,8 1.854,9 5.768,10 73.096,11 73.096,12 5,13 1.863,14 15.383,15 2.299,16 3.962,17 4.101,18 2.774,19 2.715,20 0.132,21 2.866,22 236.366,23 239.121,24 239.121,25 19.612,26 1.793,27 3.589,28 5.619,29 1,30 0.965,31 0.159,32 0.121,33 17.809,34 1,35 259,36 0.082,37 3.741,38 3.706,39 3.524,40 48.305,41 2,42 3.633,43 0.107,44 23.323,45 487.955,46 104.653,47 1.416,48 275.121,49 49,50 51,51 33.268,52 2.864,53 2.942,54 0.886,55 0.821,56 1.181,57 1.077,58 1.107,59 29.417,60 191.507,61 328.49,62 459.037,63 15.677,64 3.983,65 7}
{0 CHEMBL207710,1 3.436,2 11.261,3 3.576,4 6.322,5 1.678,6 1.615,7 1.853,8 1.871,9 5.804,10 70.076,11 70.076,12 5,13 1.896,14 12.768,15 2.288,16 4.014,17 4.16,18 2.751,19 2.743,20 0.132,21 2.76,22 252.913,23 255.668,24 255.668,25 19.293,26 1.796,27 3.181,28 5.648,29 1,30 0.965,31 0.159,32 0.121,33 16.524,34 1,35 259,36 0.082,37 3.755,38 3.54,39 3.535,40 51.12,41 2,42 3.633,43 0.107,44 23.323,45 476.837,46 97.921,47 1.361,48 296.423,49 52,50 54,51 32.37,52 2.94,53 3.033,54 0.925,55 0.844,56 1.23,57 1.186,58 1.209,59 29.627,60 183.514,61 320.51,62 439.535,63 14.142,64 3.718,65 7}
{0 CHEMBL20772,1 4.636,2 26.903,3 4.868,4 15.11,5 1.951,6 1.921,7 2.04,8 2.055,9 7.031,10 177.924,11 177.924,12 36,13 2.08,14 34.475,15 3.488,16 4.882,17 5.009,18 3.502,19 3.51,20 0.053,21 3.567,22 626.04,23 651.55,24 651.55,25 49.586,26 1.981,27 4.77,28 6.895,29 2.669,30 2.172,31 0.06,32 0.046,33 45.91,34 22,35 1668,36 0.57,37 3.978,38 3.887,39 3.88,40 121.432,41 3.493,42 6.892,43 0.607,44 121.973,45 1133.54,46 240.159,47 4.103,48 845.55,49 122,50 129,51 79.319,52 3.668,53 3.709,54 1.63,55 1.587,56 1.838,57 1.821,58 1.828,59 74.641,60 449.145,61 807.58,62 1087.67,63 35.437,64 4.846,65 6}
{0 CHEMBL207724,1 3.549,2 12.037,3 3.7,4 6.9,5 1.809,6 1.762,7 1.928,8 1.945,9 5.822,10 80.506,11 80.506,12 10,13 1.954,14 14.611,15 2.783,16 4.088,17 4.219,18 2.739,19 2.718,20 0.111,21 2.866,22 271.22,23 273.975,24 273.975,25 20.953,26 1.877,27 3.896,28 5.797,29 1.5,30 1,31 0.133,32 0.102,33 20.021,34 2,35 325,36 0.128,37 3.864,38 3.702,39 3.703,40 54.349,41 2.5,42 4.016,43 0.195,44 28.313,45 527.388,46 115.32,47 1.7,48 317.975,49 55,50 58,51 36.722,52 2.882,53 2.96,54 0.886,55 0.821,56 1.181,57 1.106,58 1.13,59 33.653,60 210.957,61 363.15,62 506.495,63 17.261,64 3.983,65 7}
{0 CHEMBL207868,1 3.555,2 12.154,3 3.721,4 6.989,5 1.813,6 1.764,7 1.942,8 1.957,9 5.862,10 74.231,11 74.231,12 10,13 1.978,14 14.332,15 2.492,16 4.084,17 4.221,18 2.783,19 2.785,20 0.114,21 2.826,22 260.465,23 271.975,24 273.975,25 21.005,26 1.877,27 3.398,28 5.769,29 1.495,30 1,31 0.137,32 0.105,33 19.194,34 1,35 316,36 0.078,37 3.867,38 3.699,39 3.701,40 54.12,41 2.496,42 3.992,43 0.081,44 28.615,45 499.626,46 107.698,47 1.636,48 317.975,49 55,50 58,51 35.37,52 2.964,53 3.047,54 0.94,55 0.865,56 1.217,57 1.181,58 1.199,59 32.627,60 199.043,61 343.87,62 477.425,63 15.374,64 3.824,65 7.244}
{0 CHEMBL207918,1 3.082,2 8.526,3 3.206,4 5.092,5 1.62,6 1.55,7 1.819,8 1.836,9 5.51,10 59.077,11 59.077,12 4,13 1.855,14 9.078,15 1.938,16 3.823,17 3.969,18 2.7,19 2.694,20 0.156,21 2.687,22 189.722,23 192.477,24 192.477,25 14.251,26 1.77,27 2.767,28 5.314,29 -0.078,30 -0.07,31 0.188,32 0.143,33 11.907,35 162,36 0.029,37 3.708,38 3.461,39 3.461,40 41.469,41 0.973,42 3.249,43 0.041,44 13.839,45 379.443,46 77.79,47 0.944,48 226.477,49 42,50 44,51 26.086,52 2.854,53 2.925,54 0.862,55 0.794,56 1.145,57 1.062,58 1.107,59 24.047,60 148.072,61 253.95,62 353.056,63 11.333,64 3.482,65 7}
{0 CHEMBL2079585,1 3.206,2 9.3,3 3.347,4 5.569,5 1.704,6 1.647,7 1.862,8 1.881,9 5.453,10 57.625,11 57.625,12 15,13 1.909,14 10.624,15 1.861,16 3.903,17 4.042,18 2.735,19 2.715,20 0.142,21 2.687,22 216.311,23 223.066,24 223.066,25 15.802,26 1.836,27 2.72,28 5.384,29 0.242,30 0.229,31 0.176,32 0.132,33 13.997,34 7,35 186,36 0.033,37 3.764,38 3.572,39 3.564,40 45.916,41 1.26,42 3.391,43 0.049,44 15.8,45 423.947,46 84.088,47 1.149,48 261.066,49 47,50 49,51 29.358,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.585,60 163.261,61 283.85,62 390.116,63 12.377,64 3.451,65 6}
{0 CHEMBL2079665,1 3.206,2 9.3,3 3.347,4 5.569,5 1.704,6 1.647,7 1.862,8 1.881,9 5.453,10 57.625,11 57.625,12 15,13 1.909,14 10.624,15 1.861,16 3.903,17 4.042,18 2.735,19 2.715,20 0.142,21 2.687,22 216.311,23 223.066,24 223.066,25 15.802,26 1.836,27 2.72,28 5.384,29 0.242,30 0.229,31 0.176,32 0.132,33 13.997,34 7,35 186,36 0.033,37 3.764,38 3.572,39 3.564,40 45.916,41 1.26,42 3.391,43 0.049,44 15.8,45 423.947,46 84.088,47 1.149,48 261.066,49 47,50 49,51 29.358,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.585,60 163.261,61 283.85,62 390.116,63 12.377,64 3.451,65 5.699}
{0 CHEMBL20856,1 3.201,2 9.222,3 3.361,4 5.552,5 1.494,6 1.457,7 1.754,8 1.745,9 5.333,10 53.289,11 53.289,12 11,13 1.745,14 8.228,15 1.907,16 3.719,17 3.847,18 2.402,19 2.391,20 0.191,21 2.411,22 166.621,23 169.376,24 169.376,25 12.223,26 1.681,27 2.535,28 5.102,29 -0.568,30 -0.501,31 0.203,32 0.151,33 9.288,34 5,35 166,36 0.054,37 3.607,38 3.344,39 3.367,40 38.592,41 0.745,42 3.179,43 0.066,44 15.383,45 369.024,46 72.217,47 0.783,48 206.131,49 39,50 40,51 24.529,52 2.628,53 2.713,54 0.622,55 0.533,56 0.986,57 0.895,58 0.924,59 22.719,60 142.946,61 250.46,62 340.548,63 10.97,64 3.24,65 5.046}
{0 CHEMBL20881,1 3.971,2 16.667,3 4.194,4 9.588,5 1.767,6 1.716,7 1.924,8 1.949,9 6.357,10 118.787,11 118.787,12 21,13 1.986,14 21.739,15 3.387,16 4.454,17 4.582,18 3.029,19 3.018,20 0.102,21 3.206,22 445.244,23 455.999,24 455.999,25 30.243,26 1.921,27 4.152,28 6.274,29 1.938,30 1.619,31 0.094,32 0.072,33 27.682,34 12,35 650,36 0.21,37 3.977,38 3.843,39 3.807,40 78.37,41 2.884,42 5.102,43 0.348,44 57.871,45 728.6,46 155.488,47 2.437,48 497.999,49 79,50 84,51 51.739,52 3.204,53 3.253,54 1.249,55 1.194,56 1.513,57 1.534,58 1.519,59 47.899,60 290.65,61 516.66,62 700.947,63 23.297,64 4.349,65 7}
{0 CHEMBL20928,1 3.2,2 9.3,3 3.345,4 5.559,5 1.737,6 1.682,7 1.882,8 1.908,9 5.548,10 57.625,11 57.625,12 14,13 1.949,14 11.319,15 2.104,16 3.903,17 4.042,18 2.735,19 2.715,20 0.147,21 2.687,22 210.801,23 223.066,24 223.066,25 16.476,26 1.831,27 2.724,28 5.386,29 0.161,30 0.148,31 0.179,32 0.136,33 15.035,34 9,35 186,36 0.033,37 3.779,38 3.607,39 3.593,40 45.916,41 1.258,42 3.388,43 0.049,44 16.04,45 424.376,46 83.749,47 1.186,48 261.066,49 47,50 49,51 29.358,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.585,60 163.261,61 283.85,62 390.116,63 12.377,64 3.477,65 6.523}
{0 CHEMBL209296,1 3.483,2 11.423,3 3.632,4 6.625,5 1.81,6 1.761,7 1.941,8 1.956,9 5.818,10 74.231,11 74.231,12 10,13 1.976,14 13.633,15 2.455,16 4.084,17 4.221,18 2.735,19 2.715,20 0.114,21 2.703,22 260.465,23 271.975,24 273.975,25 20.541,26 1.876,27 3.522,28 5.778,29 1.5,30 1,31 0.138,32 0.105,33 19.439,34 1,35 297,36 0.095,37 3.866,38 3.696,39 3.699,40 54.12,41 2.5,42 3.954,43 0.119,44 26.166,45 499.626,46 107.698,47 1.671,48 317.975,49 55,50 58,51 35.37,52 2.878,53 2.962,54 0.886,55 0.821,56 1.181,57 1.116,58 1.143,59 32.627,60 199.043,61 343.87,62 477.425,63 15.374,64 3.829,65 7}
{0 CHEMBL20943,1 3.082,2 8.526,3 3.206,4 5.092,5 1.673,6 1.616,7 1.829,8 1.854,9 5.527,10 54.632,11 54.632,12 13,13 1.89,14 10.994,15 1.855,16 3.843,17 3.98,18 2.735,19 2.715,20 0.155,21 2.687,22 197.46,23 204.215,24 204.215,25 15.985,26 1.817,27 2.757,28 5.309,29 -0.078,30 -0.072,31 0.189,32 0.143,33 13.832,34 7,35 162,36 0.029,37 3.724,38 3.539,39 3.526,40 43.032,41 0.973,42 3.249,43 0.041,44 13.839,45 398.3,46 79.148,47 1.094,48 240.215,49 44,50 46,51 27.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.058,60 153.668,61 266.55,62 366.711,63 11.67,64 3.47,65 5.523}
{0 CHEMBL20969,1 2.578,2 5.5,3 2.55,4 3.384,5 1.153,6 1.064,7 1.376,8 1.429,9 4.595,10 31.725,11 31.725,12 11,13 1.513,14 4.741,15 1.077,16 3.353,17 3.498,18 1.449,19 1.399,20 0.236,21 1.366,22 97.627,23 100.382,24 100.382,25 6.921,26 1.643,27 0.203,28 4.331,29 -1.5,30 -1,31 0.295,32 0.219,33 4.996,34 5,35 66,37 3.206,38 2.941,39 2.91,40 26.287,42 2.539,44 5,45 242.653,46 51.478,47 0.419,48 128.382,49 27,50 28,51 17.336,52 1.837,53 2.027,56 0.513,57 0.329,58 0.403,59 15.709,60 99.512,61 166.32,62 234.568,63 7.293,64 2.659,65 4.046}
{0 CHEMBL21093,1 3.129,2 8.778,3 3.255,4 5.319,5 1.58,6 1.51,7 1.774,8 1.799,9 5.402,10 53.233,11 53.233,12 11,13 1.835,14 9.117,15 1.635,16 3.799,17 3.942,18 2.694,19 2.663,20 0.168,21 2.623,22 199.82,23 206.574,24 206.574,25 13.414,26 1.818,27 2.864,28 5.16,29 -0.319,30 -0.287,31 0.205,32 0.155,33 11.821,34 4,35 158,36 0.029,37 3.649,38 3.419,39 3.407,40 42.032,41 0.734,42 3.163,43 0.041,44 12.222,45 404.59,46 76.331,47 0.93,48 233.329,49 43,50 44,51 26.597,52 2.854,53 2.925,54 0.886,55 0.817,56 1.181,57 1.062,58 1.107,59 24.058,60 151.469,61 261.61,62 361.346,63 11.386,64 3.273,65 5.699}
{0 CHEMBL21139,1 3.2,2 9.286,3 3.338,4 5.537,5 1.68,6 1.612,7 1.873,8 1.891,9 5.72,10 63.607,11 63.607,12 8,13 1.906,14 9.735,15 2.24,16 3.882,17 4.015,18 2.735,19 2.715,20 0.161,21 2.687,22 204.379,23 211.133,24 211.133,25 14.425,26 1.829,27 2.961,28 5.444,29 0.927,30 0.733,31 0.173,32 0.132,33 13.817,35 195,36 0.033,37 3.765,38 3.526,39 3.529,40 44.578,41 2,42 3.4,43 0.064,44 16.322,45 418.645,46 82.857,47 1.116,48 247.133,49 45,50 47,51 28.296,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.267,60 161.532,61 283.7,62 385.897,63 12.448,64 3.633,65 5}
{0 CHEMBL21148,1 3.27,2 9.952,3 3.41,4 5.728,5 1.641,6 1.575,7 1.834,8 1.847,9 5.63,10 65.367,11 65.367,12 4,13 1.862,14 11.243,15 2.382,16 3.927,17 4.061,18 2.735,19 2.715,20 0.142,21 2.687,22 216.311,23 220.311,24 220.311,25 16.963,26 1.817,27 3.014,28 5.418,29 0.556,30 0.434,31 0.172,32 0.131,33 13.832,35 209,36 0.078,37 3.722,38 3.487,39 3.487,40 46.461,41 1.641,42 3.417,43 0.088,44 17.32,45 429.559,46 85.375,47 1.095,48 261.066,49 47,50 49,51 29.057,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.07,58 1.107,59 26.794,60 164.459,61 286.34,62 393.04,63 12.871,64 3.592,65 6.523}
{0 CHEMBL21151,1 3.295,2 10,3 3.424,4 5.806,5 1.721,6 1.668,7 1.865,8 1.883,9 5.749,10 59.743,11 59.743,12 21,13 1.907,14 13.748,15 2.34,16 3.945,17 4.069,18 2.735,19 2.715,20 0.129,21 2.687,22 212.469,23 226.078,24 234.078,25 19.526,26 1.92,27 3.096,28 5.571,29 1,30 0.983,31 0.157,32 0.12,33 16.444,34 9,35 230,36 0.049,37 3.78,38 3.6,39 3.597,40 47.032,41 2,42 3.635,43 0.111,44 19.198,45 437.507,46 95.082,47 1.392,48 268.078,49 48,50 51,51 31.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 29.058,60 175.862,61 304.57,62 420.864,63 13.565,64 3.726,65 7.301}
{0 CHEMBL21152,1 3.322,2 10.2,3 3.484,4 6.109,5 1.706,6 1.643,7 1.883,8 1.894,9 5.974,10 76.236,11 76.236,12 12,13 1.906,14 15.17,15 2.54,16 4.117,17 4.252,18 2.848,19 2.845,20 0.119,21 2.866,22 279.72,23 285.72,24 291.72,25 22.796,26 1.873,27 3.302,28 5.836,29 1,30 0.965,31 0.146,32 0.111,33 19.888,34 2,35 255,36 0.103,37 3.785,38 3.563,39 3.564,40 56.112,41 2,42 3.744,43 0.161,44 21.363,45 505.254,46 101.872,47 1.636,48 332.475,49 57,50 60,51 35.341,52 3.039,53 3.121,54 1.022,55 0.948,56 1.314,57 1.265,58 1.285,59 32.374,60 195.435,61 343.18,62 468.621,63 15.44,64 3.928,65 6.611}
{0 CHEMBL21165,1 3.174,2 9.2,3 3.309,4 5.392,5 1.67,6 1.616,7 1.817,8 1.841,9 5.538,10 60.689,11 60.689,12 13,13 1.861,14 11.586,15 2.39,16 3.85,17 3.979,18 2.735,19 2.715,20 0.148,21 2.687,22 200.215,23 204.215,24 204.215,25 16.443,26 1.817,27 2.999,28 5.357,31 0.18,32 0.137,33 14.543,34 7,35 184,36 0.078,37 3.723,38 3.548,39 3.534,40 43.356,41 1.168,42 3.315,43 0.072,44 15.18,45 419.701,46 83.953,47 1.087,48 240.215,49 44,50 46,51 28.455,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.885,60 162.001,61 281.76,62 387.043,63 12.727,64 3.569,65 7}
{0 CHEMBL21227,1 3.098,2 8.65,3 3.243,4 5.223,5 1.651,6 1.594,7 1.8,8 1.83,9 5.403,10 55.978,11 55.978,12 16,13 1.877,14 11.345,15 1.921,16 3.885,17 4.017,18 2.673,19 2.652,20 0.148,21 2.687,22 206.379,23 213.133,24 213.133,25 16.567,26 1.75,27 2.806,28 5.358,29 1,30 0.983,31 0.184,32 0.142,33 14.257,34 9,35 173,36 0.041,37 3.746,38 3.56,39 3.552,40 44.032,41 2,42 3.387,43 0.091,44 14.6,45 395.765,46 81.897,47 1.149,48 247.133,49 45,50 48,51 28.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.058,60 155.867,61 271.49,62 372.076,63 12.118,64 3.461,65 5}
{0 CHEMBL21234,1 2.93,2 7.563,3 3.018,4 4.456,5 1.446,6 1.382,7 1.659,8 1.682,9 5.4,10 48.011,11 48.011,12 11,13 1.722,14 8.723,15 1.604,16 3.689,17 3.833,18 2.304,19 2.277,20 0.214,21 2.272,22 159.911,23 162.666,24 162.666,25 12.858,26 1.747,27 2.265,28 5.011,29 -0.971,30 -0.77,31 0.247,32 0.193,33 8.802,34 5,35 121,36 0.012,37 3.515,38 3.282,39 3.274,40 37.207,41 0.5,42 2.853,43 0.026,44 10.484,45 360.226,46 65.864,47 0.704,48 199.421,49 38,50 39,51 23.455,52 2.573,53 2.676,54 0.576,55 0.468,56 0.983,57 0.89,58 0.923,59 21.268,60 133.748,61 228.33,62 318.106,63 10.154,64 3.222,65 5.097}
{0 CHEMBL21243,1 3.413,2 10.955,3 3.587,4 6.504,5 1.786,6 1.733,7 1.928,8 1.956,9 5.627,10 63.561,11 63.561,12 16,13 2.001,14 12.738,15 2.224,16 4.013,17 4.155,18 2.787,19 2.764,20 0.135,21 2.737,22 249.315,23 261.58,24 261.58,25 18.57,26 1.854,27 3.052,28 5.451,29 1,30 0.983,31 0.164,32 0.125,33 16.597,34 10,35 241,36 0.078,37 3.823,38 3.657,39 3.642,40 51.683,41 2,42 3.653,43 0.088,44 20.43,45 476.53,46 92.951,47 1.306,48 303.58,49 53,50 55,51 32.881,52 2.947,53 3.032,54 0.973,55 0.895,56 1.314,57 1.2,58 1.243,59 29.638,60 182.445,61 318.45,62 436.927,63 13.791,64 3.536,65 7.155}
{0 CHEMBL21244,1 3.059,2 8.6,3 3.213,4 5.154,5 1.677,6 1.62,7 1.832,8 1.856,9 5.654,10 57.625,11 57.625,12 14,13 1.891,14 12.762,15 1.88,16 3.903,17 4.042,18 2.735,19 2.715,20 0.166,21 2.687,22 213.556,23 220.311,24 220.311,25 18.538,26 1.84,27 2.882,28 5.456,29 0.054,30 0.051,31 0.2,32 0.156,33 16.378,34 8,35 172,36 0.041,37 3.729,38 3.544,39 3.532,40 45.916,41 1.079,42 3.26,43 0.071,44 14.7,45 430.667,46 83.785,47 1.281,48 261.066,49 47,50 49,51 29.358,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 26.585,60 163.261,61 283.85,62 390.116,63 12.593,64 3.585,65 5.222}
{0 CHEMBL21270,1 2.868,2 7.125,3 2.944,4 4.354,5 1.417,6 1.333,7 1.658,8 1.68,9 5.299,10 47.208,11 47.208,12 8,13 1.702,14 7.566,15 1.556,16 3.661,17 3.8,18 2.218,19 2.185,20 0.19,21 2.161,22 163.24,23 169.995,24 169.995,25 11.119,26 1.799,27 2.175,28 5.073,29 -0.85,30 -0.828,31 0.231,32 0.175,33 10.402,34 1,35 114,37 3.523,38 3.233,39 3.232,40 36.265,41 0.5,42 2.883,44 8.672,45 352.437,46 66.976,47 0.798,48 192.75,49 37,50 38,51 23.074,52 2.452,53 2.56,54 0.479,55 0.371,56 0.894,57 0.775,58 0.81,59 21.004,60 132.285,61 227.01,62 314.535,63 9.971,64 3.199,65 5}
{0 CHEMBL21271,1 3.065,2 8.609,3 3.217,4 5.239,5 1.705,6 1.66,7 1.845,8 1.868,9 6.027,10 67.103,11 67.103,12 14,13 1.903,14 15.315,15 2.403,16 4.003,17 4.136,18 2.76,19 2.744,20 0.167,21 2.737,22 246.913,23 253.668,24 253.668,25 22.16,26 1.817,27 3.349,28 5.801,29 1,30 0.983,31 0.184,32 0.144,33 20.725,34 12,35 198,36 0.041,37 3.748,38 3.591,39 3.584,40 51.127,41 2,42 3.404,43 0.082,44 17.86,45 487.022,46 93.518,47 1.651,48 296.423,49 52,50 54,51 32.574,52 2.946,53 3.018,54 0.938,55 0.868,56 1.241,57 1.19,58 1.208,59 29.826,60 183.514,61 324.6,62 439.535,63 14.208,64 3.906,65 7.301}
{0 CHEMBL21309,1 3.082,2 8.526,3 3.206,4 5.092,5 1.685,6 1.62,7 1.858,8 1.889,9 5.61,10 59.126,11 59.126,12 13,13 1.936,14 12.174,15 1.842,16 3.957,17 4.107,18 2.844,19 2.818,20 0.154,21 2.782,22 205.464,23 232.193,24 232.193,25 18.02,26 1.808,27 2.815,28 5.399,29 -0.077,30 -0.072,31 0.189,32 0.143,33 15.098,34 7,35 162,36 0.029,37 3.738,38 3.534,39 3.519,40 48.683,41 0.923,42 3.249,43 0.041,44 13.839,45 431.032,46 80.203,47 1.178,48 282.193,49 50,50 52,51 29.881,52 3.015,53 3.104,54 1.044,55 0.962,56 1.386,57 1.274,58 1.319,59 26.638,60 162.451,61 285.37,62 388.14,63 12.396,64 3.51,65 7.398}
{0 CHEMBL21375,1 3.194,2 9.238,3 3.322,4 5.468,5 1.682,6 1.626,7 1.838,8 1.86,9 5.745,10 62.638,11 62.638,12 13,13 1.893,14 12.145,15 2.282,16 3.935,17 4.067,18 2.735,19 2.715,20 0.142,21 2.687,22 229.323,23 232.078,24 232.078,25 17.934,26 1.839,27 2.942,28 5.675,29 0.577,30 0.51,31 0.174,32 0.132,33 15.576,34 7,35 194,36 0.045,37 3.737,38 3.551,39 3.541,40 47.243,41 1.577,42 3.388,43 0.081,44 16.68,45 450.219,46 85.548,47 1.245,48 268.078,49 48,50 50,51 29.813,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.14,58 1.149,59 27.299,60 167.257,61 292.64,62 399.867,63 12.695,64 3.638,65 6.097}
{0 CHEMBL21598,1 3.082,2 8.526,3 3.206,4 5.092,5 1.674,6 1.616,7 1.826,8 1.853,9 5.422,10 54.632,11 54.632,12 13,13 1.89,14 13.51,15 1.925,16 3.832,17 3.968,18 2.735,19 2.715,20 0.184,21 2.687,22 197.46,23 204.215,24 204.215,25 17.499,26 1.822,27 2.914,28 5.232,29 -0.078,30 -0.07,31 0.189,32 0.143,33 14.917,34 7,35 162,36 0.029,37 3.723,38 3.543,39 3.528,40 42.781,41 0.973,42 3.249,43 0.041,44 13.839,45 404.998,46 85.275,47 1.209,48 240.215,49 44,50 46,51 28.79,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.53,60 160.803,61 276.27,62 384.12,63 12.565,64 3.6,65 5.398}
{0 CHEMBL21707,1 3.218,2 9.364,3 3.369,4 5.648,5 1.674,6 1.617,7 1.831,8 1.854,9 5.762,10 64.028,11 64.028,12 13,13 1.891,14 12.843,15 2.439,16 3.949,17 4.079,18 2.736,19 2.717,20 0.153,21 2.695,22 227.611,23 234.366,24 234.366,25 18.617,26 1.822,27 3.02,28 5.688,29 1,30 0.983,31 0.166,32 0.127,33 17.611,34 8,35 206,36 0.07,37 3.727,38 3.54,39 3.529,40 48.243,41 2,42 3.484,43 0.081,44 18.595,45 443.091,46 88.299,47 1.437,48 275.121,49 49,50 51,51 30.813,52 2.887,53 2.966,54 0.906,55 0.833,56 1.223,57 1.123,58 1.162,59 28.299,60 173.922,61 307.3,62 416.13,63 13.539,64 3.698,65 5.699}
{0 CHEMBL21722,1 3.286,2 10.13,3 3.477,4 6.021,5 1.724,6 1.668,7 1.878,8 1.898,9 5.928,10 66.508,11 66.508,12 21,13 1.928,14 15.982,15 2.386,16 4.064,17 4.207,18 2.735,19 2.715,20 0.135,21 2.687,22 255.173,23 257.928,24 257.928,25 23.241,26 1.88,27 3.238,28 5.764,29 1,30 0.983,31 0.173,32 0.133,33 18.575,34 10,35 233,36 0.128,37 3.783,38 3.596,39 3.589,40 54.567,41 2,42 3.497,43 0.148,44 20.836,45 516.409,46 97.321,47 1.515,48 325.212,49 56,50 58,51 34.643,52 2.874,53 3.009,54 0.934,55 0.821,56 1.417,57 1.239,58 1.308,59 31.165,60 192.038,61 335.75,62 460.332,63 15.04,64 3.767,65 7.046}
{0 CHEMBL22052,1 3.291,2 10.16,3 3.475,4 6.067,5 1.697,6 1.642,7 1.899,8 1.901,9 6.106,10 78.185,11 78.185,12 9,13 1.89,14 11.088,15 3.029,16 3.975,17 4.093,18 2.873,19 2.904,20 0.142,21 2.866,22 228.078,23 236.078,24 236.078,25 16.782,26 1.827,27 3.351,28 6.284,29 1.08,30 0.985,31 0.152,32 0.116,33 14.934,34 6,35 254,36 0.132,37 3.778,38 3.562,39 3.56,40 48.778,41 2.093,42 3.602,43 0.202,44 22.691,45 474.152,46 93.797,47 1.193,48 268.078,49 48,50 50,51 29.904,52 3.111,53 3.2,54 1.045,55 0.995,56 1.245,57 1.352,58 1.354,59 28.906,60 177.387,61 318.43,62 424.585,63 14.043,64 3.953,65 6.523}
{0 CHEMBL22117,1 2.977,2 7.75,3 3.054,4 4.67,5 1.696,6 1.642,7 1.841,8 1.868,9 5.679,10 57.625,11 57.625,12 14,13 1.908,14 12.932,15 2.012,16 3.903,17 4.042,18 2.611,19 2.592,20 0.167,21 2.599,22 225.556,23 232.311,24 232.311,25 18.833,26 1.814,27 2.744,28 5.574,29 -0.153,30 -0.141,31 0.203,32 0.157,33 17.694,34 9,35 155,37 3.74,38 3.569,39 3.555,40 45.916,41 0.849,42 3.193,43 0.038,44 12.23,45 430.667,46 83.469,47 1.396,48 261.066,49 47,50 49,51 29.358,52 2.852,53 2.925,54 0.864,55 0.759,56 1.208,57 1.062,58 1.119,59 26.585,60 163.261,61 283.85,62 390.116,63 12.593,64 3.642,65 5.398}
{0 CHEMBL2314421,1 3.27,2 10,3 3.425,4 5.834,5 1.746,6 1.7,7 1.906,8 1.917,9 5.683,10 65.8,11 65.8,12 16,13 1.933,14 12.887,15 2.403,16 3.955,17 4.074,18 2.745,19 2.73,20 0.149,21 2.719,22 212.469,23 228.078,24 234.078,25 18.076,26 1.876,27 3.125,28 5.715,29 1,30 0.983,31 0.169,32 0.134,33 17.392,34 10,35 240,36 0.041,37 3.756,38 3.567,39 3.563,40 47.545,41 2,42 3.674,43 0.084,44 22.083,45 428.824,46 95.269,47 1.628,48 268.078,49 48,50 51,51 31.535,52 2.864,53 2.93,54 0.886,55 0.825,56 1.181,57 1.062,58 1.107,59 29.441,60 177.06,61 310.64,62 423.787,63 13.957,64 3.844,65 6.676}
{0 CHEMBL266183,1 4.313,2 21.489,3 4.562,4 12.248,5 1.773,6 1.722,7 1.949,8 1.961,9 6.665,10 147.414,11 147.414,12 21,13 1.991,14 23.489,15 3.572,16 4.618,17 4.747,18 3.244,19 3.264,20 0.086,21 3.388,22 545.387,23 562.142,24 562.142,25 33.475,26 1.921,27 4.401,28 6.516,29 2.375,30 1.877,31 0.08,32 0.061,33 30.247,34 10,35 1010,36 0.354,37 3.975,38 3.845,39 3.81,40 92.996,41 3.196,42 5.819,43 0.438,44 86.394,45 875.617,46 181.395,47 2.73,48 608.142,49 93,50 98,51 60.182,52 3.451,53 3.502,54 1.455,55 1.41,56 1.635,57 1.665,58 1.663,59 56.425,60 344.746,61 620.16,62 832.94,63 27.527,64 4.513,65 6.699}
{0 CHEMBL277033,1 3.174,2 9.2,3 3.309,4 5.392,5 1.662,6 1.613,7 1.806,8 1.828,9 5.513,10 58.883,11 58.883,12 13,13 1.846,14 10.772,15 2.39,16 3.809,17 3.933,18 2.735,19 2.715,20 0.149,21 2.687,22 200.477,23 204.477,24 204.477,25 15.123,26 1.816,27 2.992,28 5.288,31 0.18,32 0.137,33 13.353,34 7,35 184,36 0.078,37 3.715,38 3.555,39 3.543,40 41.472,41 1.178,42 3.315,43 0.072,44 15.18,45 406.287,46 84.649,47 1.02,48 226.477,49 42,50 44,51 27.694,52 2.854,53 2.925,54 0.864,55 0.809,56 1.122,57 1.062,58 1.095,59 25.359,60 159.074,61 279.12,62 379.9,63 12.52,64 3.55,65 6.699}
{0 CHEMBL277449,1 3.176,2 9.158,3 3.342,4 5.485,5 1.499,6 1.459,7 1.756,8 1.745,9 5.488,10 57.29,11 57.29,12 11,13 1.75,14 9.848,15 1.907,16 3.812,17 3.947,18 2.66,19 2.632,20 0.183,21 2.594,22 189.065,23 191.82,24 191.82,25 14.717,26 1.749,27 2.667,28 5.292,29 -0.336,30 -0.299,31 0.21,32 0.164,33 10.83,34 5,35 174,36 0.054,37 3.607,38 3.35,39 3.369,40 42.418,41 0.839,42 3.181,43 0.066,44 16.338,45 409.61,46 75.015,47 0.908,48 233.329,49 43,50 44,51 26.671,52 2.818,53 2.91,54 0.857,55 0.773,56 1.181,57 1.062,58 1.107,59 24.509,60 154.002,61 269.08,62 367.525,63 12.023,64 3.376,65 5.31}
{0 CHEMBL277630,1 3.295,2 10.083,3 3.441,4 5.897,5 1.721,6 1.668,7 1.869,8 1.884,9 5.853,10 65.743,11 65.743,12 18,13 1.907,14 14.24,15 2.443,16 3.99,17 4.123,18 2.735,19 2.715,20 0.126,21 2.712,22 239.438,23 248.193,24 248.193,25 20.601,26 1.92,27 3.177,28 5.72,29 1.067,30 0.983,31 0.153,32 0.117,33 17.43,34 9,35 242,36 0.083,37 3.783,38 3.601,39 3.599,40 49.134,41 2.098,42 3.667,43 0.151,44 20.215,45 451.913,46 99.782,47 1.486,48 282.193,49 50,50 53,51 32.603,52 2.896,53 2.996,54 0.886,55 0.821,56 1.207,57 1.173,58 1.201,59 30.079,60 182.657,61 315.57,62 437.442,63 14.065,64 3.819,65 7}
{0 CHEMBL277861,1 3.082,2 8.526,3 3.206,4 5.092,5 1.673,6 1.616,7 1.829,8 1.854,9 5.527,10 54.632,11 54.632,12 13,13 1.89,14 10.994,15 1.855,16 3.843,17 3.98,18 2.735,19 2.715,20 0.155,21 2.687,22 197.46,23 204.215,24 204.215,25 15.985,26 1.817,27 2.757,28 5.309,29 -0.078,30 -0.072,31 0.189,32 0.143,33 13.832,34 7,35 162,36 0.029,37 3.724,38 3.539,39 3.526,40 43.032,41 0.973,42 3.249,43 0.041,44 13.839,45 398.3,46 79.148,47 1.094,48 240.215,49 44,50 46,51 27.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.058,60 153.668,61 266.55,62 366.711,63 11.67,64 3.47,65 6.301}
{0 CHEMBL278137,1 2.56,2 5.538,3 2.557,4 3.446,5 1.18,6 1.099,7 1.42,8 1.444,9 5.11,10 42.681,11 42.681,12 3,13 1.513,14 6.315,15 1.495,16 3.581,17 3.73,18 1.756,19 1.691,20 0.231,21 1.596,22 133.464,23 142.974,24 142.974,25 9.42,26 1.683,27 0.381,28 4.853,29 -1,30 -0.992,31 0.281,32 0.213,33 7.851,34 2,35 72,37 3.268,38 2.992,39 2.983,40 33.265,42 2.57,44 5.621,45 303.183,46 54.504,47 0.564,48 172.974,49 34,50 35,51 20.074,52 2.094,53 2.271,54 0.172,55 0.002,56 0.784,57 0.563,58 0.65,59 18.004,60 112.29,61 193.93,62 265.748,63 8.413,64 2.993,65 4.398}
{0 CHEMBL278303,1 3.108,2 8.65,3 3.245,4 5.242,5 1.671,6 1.615,7 1.829,8 1.852,9 5.644,10 59.55,11 59.55,12 12,13 1.887,14 11.141,15 1.933,16 3.877,17 4.007,18 2.735,19 2.715,20 0.151,21 2.687,22 208.379,23 213.133,24 213.133,25 16.377,26 1.815,27 2.846,28 5.485,29 0.174,30 0.152,31 0.183,32 0.14,33 14.025,34 7,35 173,36 0.045,37 3.724,38 3.538,39 3.528,40 44.36,41 1.186,42 3.291,43 0.081,44 15,45 426.677,46 80.509,47 1.111,48 247.133,49 45,50 47,51 28.052,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 25.773,60 157.665,61 275.34,62 376.462,63 11.988,64 3.571,65 7}
{0 CHEMBL278382,1 3.414,2 10.964,3 3.581,4 6.477,5 1.723,6 1.671,7 1.871,8 1.884,9 6.043,10 81.551,11 81.551,12 17,13 1.901,14 19.975,15 2.998,16 4.084,17 4.205,18 2.925,19 2.854,20 0.115,21 2.866,22 278.465,23 281.22,24 281.22,25 23.632,26 1.921,27 4.126,28 5.959,29 1.5,30 1,31 0.135,32 0.104,33 21.669,34 12,35 307,36 0.14,37 3.788,38 3.649,39 3.605,40 54.414,41 2.5,42 3.918,43 0.202,44 27.23,45 548.209,46 120.572,47 1.864,48 317.975,49 55,50 58,51 38.478,52 2.991,53 3.063,54 0.994,55 0.928,56 1.27,57 1.189,58 1.224,59 34.638,60 220.495,61 381.6,62 529.767,63 18.354,64 4.47,65 6.523}
{0 CHEMBL278634,1 3.188,2 9.238,3 3.317,4 5.452,5 1.673,6 1.617,7 1.833,8 1.854,9 5.747,10 62.638,11 62.638,12 12,13 1.888,14 12.46,15 2.035,16 3.936,17 4.067,18 2.735,19 2.715,20 0.146,21 2.687,22 226.568,23 229.323,24 229.323,25 18.292,26 1.818,27 2.946,28 5.526,29 0.594,30 0.509,31 0.176,32 0.134,33 15.803,34 7,35 194,36 0.045,37 3.728,38 3.54,39 3.53,40 47.243,41 1.597,42 3.376,43 0.081,44 16.472,45 441.19,46 85.261,47 1.265,48 268.078,49 48,50 50,51 29.813,52 2.881,53 2.968,54 0.908,55 0.831,56 1.228,57 1.131,58 1.171,59 27.299,60 167.257,61 292.64,62 399.867,63 12.949,64 3.673,65 5.699}
{0 CHEMBL278758,1 3.066,2 8.5,3 3.191,4 5.042,5 1.704,6 1.645,7 1.866,8 1.89,9 5.764,10 58.414,11 58.414,12 13,13 1.922,14 13.791,15 1.88,16 3.925,17 4.068,18 2.735,19 2.715,20 0.173,21 2.687,22 220.568,23 227.323,24 227.323,25 20.099,26 1.84,27 2.86,28 5.475,31 0.2,32 0.158,33 16.569,34 7,35 170,36 0.029,37 3.76,38 3.566,39 3.554,40 46.858,41 1.071,42 3.242,43 0.041,44 14.69,45 438.885,46 81.947,47 1.293,48 268.078,49 48,50 50,51 29.739,52 2.854,53 2.925,54 0.886,55 0.821,56 1.196,57 1.073,58 1.121,59 26.848,60 164.724,61 285.17,62 393.688,63 12.723,64 3.642,65 6}
{0 CHEMBL278774,1 3.067,2 8.389,3 3.18,4 4.955,5 1.612,6 1.551,7 1.8,8 1.829,9 5.557,10 54.004,11 54.004,12 11,13 1.879,14 10.465,15 1.875,16 3.823,17 3.971,18 2.659,19 2.631,20 0.193,21 2.594,22 195.95,23 198.705,24 198.705,25 15.442,26 1.763,27 2.57,28 5.334,29 -0.544,30 -0.48,31 0.222,32 0.174,33 13.098,34 5,35 151,36 0.033,37 3.669,38 3.46,39 3.446,40 42.974,41 0.62,42 3.026,43 0.044,44 13.333,45 418.67,46 74.806,47 1.034,48 240.215,49 44,50 45,51 26.978,52 2.818,53 2.909,54 0.855,55 0.773,56 1.181,57 1.062,58 1.107,59 24.321,60 152.933,61 262.93,62 364.917,63 11.731,64 3.404,65 5.699}
{0 CHEMBL278834,1 3.082,2 8.526,3 3.206,4 5.092,5 1.665,6 1.613,7 1.816,8 1.839,9 5.496,10 52.949,11 52.949,12 13,13 1.872,14 10.254,15 1.943,16 3.802,17 3.934,18 2.711,19 2.694,20 0.156,21 2.68,22 197.722,23 204.477,24 204.477,25 14.763,26 1.815,27 2.748,28 5.242,29 -0.079,30 -0.072,31 0.189,32 0.143,33 12.796,34 7,35 162,36 0.029,37 3.716,38 3.545,39 3.534,40 41.149,41 0.974,42 3.249,43 0.041,44 13.839,45 384.885,46 79.844,47 1.024,48 226.477,49 42,50 44,51 26.836,52 2.854,53 2.925,54 0.876,55 0.806,56 1.169,57 1.062,58 1.107,59 24.531,60 150.741,61 263.91,62 359.568,63 11.463,64 3.449,65 6.699}
{0 CHEMBL279485,1 3.334,2 10.261,3 3.507,4 6.194,5 1.677,6 1.61,7 1.863,8 1.875,9 5.647,10 71.096,11 71.096,12 4,13 1.886,14 10.941,15 2.467,16 3.996,17 4.118,18 2.795,19 2.784,20 0.128,21 2.779,22 229.121,23 243.121,24 243.121,25 16.628,26 1.826,27 3.119,28 5.498,29 1,30 0.965,31 0.152,32 0.115,33 14.657,35 236,36 0.087,37 3.777,38 3.531,39 3.534,40 48.789,41 2,42 3.704,43 0.087,44 19.388,45 434.627,46 88.793,47 1.188,48 275.121,49 49,50 52,51 30.512,52 2.963,53 3.041,54 1.023,55 0.958,56 1.335,57 1.251,58 1.284,59 28.509,60 170.654,61 300.07,62 408.156,63 13.616,64 3.668,65 6.523}
{0 CHEMBL280364,1 3.157,2 9.208,3 3.313,4 5.464,5 1.744,6 1.696,7 1.894,8 1.914,9 5.976,10 73.446,11 73.446,12 7,13 1.945,14 13.552,15 2.533,16 4.022,17 4.158,18 2.735,19 2.737,20 0.154,21 2.841,22 244.539,23 251.294,24 251.294,25 20.35,26 1.831,27 3.38,28 5.768,29 1.138,30 1,31 0.171,32 0.135,33 18.285,34 6,35 221,36 0.033,37 3.814,38 3.653,39 3.651,40 50.563,41 2.138,42 3.576,43 0.071,44 19.417,45 462.303,46 93.996,47 1.461,48 289.294,49 51,50 54,51 32.063,52 2.918,53 2.957,54 0.987,55 0.92,56 1.249,57 1.246,58 1.26,59 29.815,60 180.117,61 316.94,62 431.246,63 14.155,64 3.92,65 6}
{0 CHEMBL280673,1 3.389,2 10.826,3 3.566,4 6.368,5 1.686,6 1.63,7 1.861,8 1.875,9 5.792,10 69.977,11 69.977,12 11,13 1.89,14 12.584,15 2.494,16 3.994,17 4.132,18 2.745,19 2.733,20 0.141,21 2.731,22 244.539,23 248.539,24 248.539,25 18.441,26 1.82,27 3.22,28 5.562,29 1,30 0.983,31 0.159,32 0.121,33 16.111,34 8,35 249,36 0.103,37 3.753,38 3.554,39 3.547,40 50.345,41 2,42 3.598,43 0.108,44 22.276,45 471.808,46 92.23,47 1.263,48 289.294,49 51,50 53,51 31.819,52 2.919,53 3.005,54 0.92,55 0.844,56 1.225,57 1.167,58 1.193,59 29.321,60 180.716,61 318.3,62 432.708,63 14.001,64 3.706,65 4.699}
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{0 CHEMBL282241,1 3.007,2 7.941,3 3.109,4 4.836,5 1.503,6 1.426,7 1.722,8 1.744,9 5.353,10 50.232,11 50.232,12 10,13 1.769,14 8.26,15 1.597,16 3.732,17 3.873,18 2.52,19 2.491,20 0.178,21 2.448,22 181.367,23 188.122,24 188.122,25 12.302,26 1.812,27 2.688,28 5.094,29 -0.716,30 -0.591,31 0.217,32 0.164,33 10.679,34 2,35 135,37 3.593,38 3.331,39 3.325,40 39.149,41 0.653,42 3.025,43 0.038,44 10.394,45 378.513,46 71.73,47 0.841,48 212.877,49 40,50 41,51 24.836,52 2.682,53 2.772,54 0.717,55 0.634,56 1.062,57 0.937,58 0.984,59 22.531,60 141.877,61 244.31,62 337.94,63 10.679,64 3.225,65 4.699}
{0 CHEMBL282727,1 2.956,2 8.25,3 3.098,4 4.868,5 1.758,6 1.737,7 1.902,8 1.893,9 6.385,10 79.876,11 79.876,12 9,13 1.886,14 18.932,15 3.153,16 4.14,17 4.241,18 2.853,19 2.853,20 0.132,21 2.925,22 295.975,23 299.975,24 299.975,25 26.514,26 1.806,27 3.439,28 6.423,29 1.36,30 1.284,31 0.153,32 0.123,33 23.529,34 9,35 231,36 0.037,37 3.738,38 3.611,39 3.611,40 55.225,41 2.371,42 3.632,43 0.132,44 19.923,45 507.908,46 101.722,47 1.974,48 317.975,49 55,50 60,51 35.176,52 3.052,53 3.104,54 1.062,55 1.025,56 1.301,57 1.321,58 1.314,59 33.444,60 192.508,61 348.49,62 461.478,63 15.933,64 4.435,65 4}
{0 CHEMBL282894,1 3.296,2 10.091,3 3.467,4 5.98,5 1.693,6 1.638,7 1.899,8 1.896,9 5.713,10 67.803,11 67.803,12 11,13 1.89,14 11.143,15 2.407,16 3.911,17 4.038,18 2.735,19 2.715,20 0.157,21 2.687,22 212.084,23 216.084,24 216.084,25 16.543,26 1.823,27 3.161,28 5.404,29 1,30 0.983,31 0.166,32 0.126,33 14.223,34 6,35 222,36 0.095,37 3.778,38 3.559,39 3.557,40 45.905,41 2,42 3.477,43 0.104,44 19.174,45 436.226,46 86.473,47 1.095,48 254.084,49 46,50 48,51 28.75,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.087,58 1.111,59 26.982,60 165.528,61 292.49,62 395.648,63 12.856,64 3.668,65 7}
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{0 CHEMBL283140,1 3.081,2 8.412,3 3.191,4 4.988,5 1.61,6 1.549,7 1.791,8 1.82,9 5.326,10 50.232,11 50.232,12 11,13 1.87,14 8.48,15 1.839,16 3.732,17 3.873,18 2.394,19 2.384,20 0.173,21 2.423,22 173.367,23 176.122,24 176.122,25 12.528,26 1.702,27 2.43,28 5.155,29 -0.73,30 -0.619,31 0.215,32 0.16,33 10.708,34 5,35 143,36 0.033,37 3.664,38 3.459,39 3.445,40 39.149,41 0.62,42 3.023,43 0.044,44 12.789,45 378.085,46 72.008,47 0.859,48 212.877,49 40,50 41,51 24.836,52 2.632,53 2.717,54 0.625,55 0.532,56 1.016,57 0.908,58 0.943,59 22.531,60 141.877,61 244.31,62 337.94,63 10.679,64 3.237,65 6.523}
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{0 CHEMBL283986,1 2.979,2 7.778,3 3.074,4 4.683,5 1.395,6 1.327,7 1.605,8 1.62,9 5.403,10 52.379,11 52.379,12 8,13 1.639,14 7.081,15 1.869,16 3.72,17 3.852,18 2.435,19 2.419,20 0.169,21 2.431,22 174.666,23 181.421,24 181.421,25 10.865,26 1.811,27 2.662,28 5.001,29 -0.215,30 -0.195,31 0.2,32 0.153,33 8.997,35 140,37 3.676,38 3.436,39 3.445,40 37.483,41 0.807,42 3.138,43 0.038,44 11.667,45 357.673,46 71.707,47 0.772,48 199.421,49 38,50 40,51 24.319,52 2.661,53 2.768,54 0.708,55 0.637,56 1.013,57 0.901,58 0.943,59 22.499,60 138.351,61 240.31,62 329.336,63 10.573,64 3.406,65 4.398}
{0 CHEMBL314170,1 3.5,2 11.621,3 3.676,4 6.872,5 1.83,6 1.786,7 1.931,8 1.952,9 5.963,10 82.737,11 82.737,12 24,13 1.973,14 20.875,15 2.719,16 4.171,17 4.298,18 2.941,19 2.91,20 0.114,21 2.901,22 305.394,23 320.413,24 322.413,25 26.682,26 1.893,27 4.186,28 5.82,29 1.705,30 1.115,31 0.138,32 0.108,33 22.835,34 10,35 337,36 0.119,37 3.87,38 3.721,39 3.707,40 58.854,41 2.65,42 4.125,43 0.208,44 28.535,45 569.075,46 128.056,47 1.933,48 354.413,49 60,50 64,51 41.546,52 3.096,53 3.181,54 1.137,55 1.062,56 1.439,57 1.339,58 1.382,59 36.976,60 231.217,61 397.69,62 555.93,63 19.222,64 4.328,65 9.174}
{0 CHEMBL315146,1 3.061,2 8.524,3 3.188,4 5.058,5 1.753,6 1.702,7 1.889,8 1.916,9 5.694,10 58.986,11 58.986,12 20,13 1.958,14 13.544,15 2.343,16 3.942,17 4.077,18 2.743,19 2.725,20 0.157,21 2.705,22 226.078,23 234.078,24 236.078,25 19.833,26 1.825,27 3.064,28 5.385,29 0.812,30 0.717,31 0.19,32 0.149,33 15.479,34 10,35 179,36 0.029,37 3.716,38 3.545,39 3.533,40 46.916,41 1.878,42 3.374,43 0.046,44 14.689,45 420.62,46 86.862,47 1.238,48 268.078,49 48,50 51,51 30.358,52 2.88,53 2.952,54 0.909,55 0.842,56 1.199,57 1.114,58 1.146,59 27.585,60 165.46,61 288.79,62 395.482,63 12.93,64 3.692,65 8.119}
{0 CHEMBL316520,1 3.295,2 10,3 3.424,4 5.806,5 1.714,6 1.657,7 1.875,8 1.891,9 5.84,10 67.935,11 67.935,12 14,13 1.914,14 14.079,15 2.337,16 4.04,17 4.182,18 2.741,19 2.729,20 0.127,21 2.752,22 262.825,23 265.58,24 265.58,25 20.959,26 1.883,27 3.138,28 5.655,29 1,30 0.983,31 0.157,32 0.12,33 17.29,34 8,35 230,36 0.049,37 3.78,38 3.583,39 3.577,40 51.901,41 2,42 3.635,43 0.111,44 19.198,45 465.5,46 94.547,47 1.451,48 303.58,49 53,50 56,51 33.126,52 2.941,53 3.019,54 0.926,55 0.852,56 1.269,57 1.202,58 1.225,59 30.133,60 181.846,61 317.09,62 435.465,63 14.032,64 3.766,65 7.348}
{0 CHEMBL318675,1 3.682,2 13.387,3 3.845,4 7.545,5 1.874,6 1.843,7 1.972,8 1.982,9 6.103,10 89.023,11 89.023,12 18,13 1.999,14 20.091,15 2.912,16 4.263,17 4.395,18 2.935,19 2.91,20 0.096,21 2.877,22 338.665,23 350.93,24 350.93,25 29.131,26 1.911,27 3.813,28 6.123,29 1.5,30 1.179,31 0.118,32 0.091,33 27.38,34 11,35 415,36 0.103,37 3.912,38 3.795,39 3.791,40 65.065,41 2.5,42 4.342,43 0.228,44 37.378,45 588.518,46 124.67,47 2.327,48 398.93,49 66,50 70,51 42.347,52 3.1,53 3.174,54 1.092,55 1.021,56 1.385,57 1.312,58 1.339,59 39.096,60 234.015,61 413.08,62 562.757,63 18.374,64 4.101,65 8}
{0 CHEMBL330386,1 3.645,2 12.935,3 3.822,4 7.471,5 1.879,6 1.849,7 1.947,8 1.971,9 6.093,10 89.023,11 89.023,12 20,13 1.98,14 23.481,15 2.875,16 4.257,17 4.387,18 2.941,19 2.91,20 0.096,21 2.936,22 344.665,23 358.93,24 358.93,25 30.355,26 1.914,27 4.334,28 6.064,29 1.537,30 1.175,31 0.118,32 0.091,33 28.5,34 12,35 401,36 0.116,37 3.902,38 3.833,39 3.801,40 64.621,41 2.532,42 4.329,43 0.198,44 36.706,45 622.878,46 136.862,47 2.365,48 398.93,49 66,50 70,51 45.069,52 3.093,53 3.169,54 1.097,55 1.027,56 1.394,57 1.305,58 1.34,59 40.03,60 250.402,61 432.29,62 602.741,63 20.531,64 4.389,65 8.284}
{0 CHEMBL330635,1 3.58,2 12.258,3 3.748,4 7.168,5 1.879,6 1.849,7 1.947,8 1.971,9 6.104,10 89.023,11 89.023,12 20,13 1.979,14 23.4,15 2.872,16 4.257,17 4.387,18 2.941,19 2.91,20 0.096,21 2.928,22 344.665,23 358.93,24 358.93,25 30.245,26 1.914,27 4.378,28 6.028,29 1.52,30 1.178,31 0.118,32 0.091,33 28.014,34 12,35 380,36 0.144,37 3.902,38 3.832,39 3.801,40 64.621,41 2.519,42 4.302,43 0.257,44 33.865,45 622.878,46 136.862,47 2.406,48 398.93,49 66,50 70,51 45.069,52 3.096,53 3.174,54 1.105,55 1.032,56 1.399,57 1.311,58 1.346,59 40.03,60 250.402,61 432.29,62 602.741,63 20.531,64 4.388,65 8.114}
{0 CHEMBL337929,1 3.263,2 9.958,3 3.434,4 5.867,5 1.704,6 1.653,7 1.847,8 1.863,9 5.723,10 65.8,11 65.8,12 19,13 1.881,14 14.286,15 2.501,16 3.949,17 4.067,18 2.735,19 2.715,20 0.127,21 2.687,22 218.959,23 231.323,24 234.078,25 18.834,26 1.887,27 3.469,28 5.606,29 1.372,30 1,31 0.153,32 0.117,33 15.495,34 8,35 239,36 0.054,37 3.86,38 3.727,39 3.721,40 47.261,41 2.394,42 3.68,43 0.114,44 20.785,45 469.453,46 101.851,47 1.348,48 268.078,49 48,50 51,51 32.949,52 2.854,53 2.916,54 0.873,55 0.821,56 1.181,57 1.051,58 1.107,59 30.083,60 187.776,61 323.85,62 449.934,63 15.399,64 4.124,65 6.886}
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{0 CHEMBL338469,1 3.251,2 10.04,3 3.447,4 5.951,5 1.704,6 1.653,7 1.845,8 1.861,9 5.804,10 69.798,11 69.798,12 20,13 1.877,14 14.142,15 2.623,16 3.957,17 4.068,18 2.735,19 2.715,20 0.126,21 2.89,22 220.078,23 226.078,24 226.078,25 18.866,26 1.887,27 3.425,28 5.639,29 1.408,30 1,31 0.148,32 0.114,33 15.404,34 10,35 251,36 0.087,37 3.86,38 3.727,39 3.722,40 47.68,41 2.425,42 3.71,43 0.154,44 21.328,45 484.495,46 103.838,47 1.324,48 268.078,49 48,50 51,51 33.313,52 2.854,53 2.918,54 0.849,55 0.821,56 1.181,57 1.051,58 1.107,59 30.713,60 192.528,61 334.99,62 461.528,63 15.626,64 4.205,65 6.386}
{0 CHEMBL339281,1 3.347,2 10.583,3 3.496,4 6.042,5 1.704,6 1.653,7 1.845,8 1.861,9 5.689,10 65.8,11 65.8,12 19,13 1.879,14 13.566,15 2.798,16 3.949,17 4.067,18 2.735,19 2.715,20 0.126,21 2.687,22 219.323,23 226.078,24 226.078,25 18.473,26 1.887,27 3.534,28 5.646,29 1.401,30 1,31 0.153,32 0.117,33 15.518,34 8,35 254,36 0.041,37 3.86,38 3.728,39 3.722,40 47.261,41 2.417,42 3.711,43 0.109,44 21.688,45 469.453,46 101.851,47 1.347,48 268.078,49 48,50 51,51 32.949,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 30.083,60 187.776,61 323.85,62 449.934,63 15.399,64 3.827,65 6.842}
{0 CHEMBL339491,1 3.293,2 10.115,3 3.435,4 5.926,5 1.768,6 1.718,7 1.917,8 1.927,9 5.959,10 70.116,11 70.116,12 18,13 1.935,14 16.69,15 2.731,16 4.077,17 4.205,18 2.842,19 2.83,20 0.127,21 2.834,22 260.499,23 271.254,24 278.009,25 24.14,26 1.903,27 3.438,28 5.745,29 1.348,30 1.009,31 0.153,32 0.12,33 20.673,34 9,35 263,36 0.122,37 3.777,38 3.598,39 3.595,40 53.018,41 2.38,42 3.792,43 0.167,44 20.769,45 479.727,46 107.499,47 1.689,48 310.764,49 54,50 58,51 35.364,52 3.004,53 3.089,54 1.029,55 0.953,56 1.36,57 1.245,58 1.289,59 32.606,60 194.448,61 337.81,62 466.213,63 15.565,64 3.995,65 7.114}
{0 CHEMBL339712,1 3.347,2 10.583,3 3.496,4 6.042,5 1.703,6 1.652,7 1.85,8 1.863,9 5.703,10 63.738,11 63.738,12 17,13 1.881,14 11.553,15 2.879,16 3.912,17 4.029,18 2.735,19 2.715,20 0.136,21 2.687,22 209.329,23 212.084,24 212.084,25 16.248,26 1.88,27 3.173,28 5.759,29 1.432,30 1,31 0.153,32 0.117,33 12.569,34 7,35 254,36 0.041,37 3.861,38 3.725,39 3.72,40 45.661,41 2.454,42 3.711,43 0.109,44 21.688,45 420.349,46 93.922,47 1.236,48 254.084,49 46,50 49,51 30.773,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 28.914,60 174.133,61 308,62 416.645,63 13.697,64 3.673,65 5.469}
{0 CHEMBL339863,1 3.447,2 11.4,3 3.608,4 6.489,5 1.718,6 1.667,7 1.865,8 1.878,9 5.755,10 68.975,11 68.975,12 21,13 1.891,14 14.145,15 2.713,16 4.003,17 4.124,18 2.735,19 2.715,20 0.121,21 2.71,22 238.539,23 245.294,24 245.294,25 19.248,26 1.894,27 3.576,28 5.711,29 1.443,30 1,31 0.147,32 0.113,33 17.261,34 8,35 285,36 0.086,37 3.867,38 3.734,39 3.728,40 50.145,41 2.453,42 3.843,43 0.193,44 24.685,45 495.53,46 106.606,47 1.483,48 289.294,49 51,50 54,51 34.711,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 31.61,60 197.368,61 341.15,62 473.339,63 16.107,64 3.847,65 7.987}
{0 CHEMBL340185,1 3.477,2 11.6,3 3.633,4 6.654,5 1.798,6 1.75,7 1.919,8 1.939,9 5.783,10 68.975,11 68.975,12 26,13 1.969,14 14.81,15 2.651,16 4.003,17 4.124,18 2.756,19 2.727,20 0.135,21 2.823,22 243.294,23 251.294,24 253.294,25 20.272,26 1.892,27 3.544,28 5.564,29 1,30 0.983,31 0.163,32 0.127,33 16.486,34 9,35 290,36 0.098,37 3.8,38 3.609,39 3.606,40 50.145,41 2,42 3.828,43 0.167,44 23.024,45 493.451,46 107.44,47 1.38,48 289.294,49 51,50 54,51 34.711,52 2.859,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 31.61,60 197.368,61 341.15,62 473.339,63 16.211,64 3.902,65 7.066}
{0 CHEMBL340815,1 3.5,2 11.7,3 3.691,4 6.972,5 1.819,6 1.774,7 1.934,8 1.949,9 6.031,10 88.309,11 88.309,12 14,13 1.954,14 20.796,15 2.777,16 4.208,17 4.339,18 2.964,19 2.91,20 0.112,21 2.956,22 322.141,23 334.405,24 334.405,25 27.108,26 1.892,27 4.225,28 5.915,29 1.719,30 1.133,31 0.135,32 0.106,33 25.505,34 7,35 351,36 0.135,37 3.87,38 3.719,39 3.706,40 60.956,41 2.652,42 4.155,43 0.252,44 29.711,45 588.974,46 132.759,47 2.092,48 369.16,49 62,50 66,51 42.552,52 3.111,53 3.206,54 1.153,55 1.064,56 1.464,57 1.376,58 1.422,59 37.998,60 238.012,61 408.69,62 572.508,63 19.962,64 4.389,65 7.77}
{0 CHEMBL340816,1 3.548,2 12.269,3 3.722,4 7.008,5 1.733,6 1.68,7 1.884,8 1.898,9 5.709,10 70.17,11 70.17,12 18,13 1.915,14 13.492,15 2.884,16 4.021,17 4.144,18 2.735,19 2.715,20 0.124,21 2.687,22 247.668,23 250.423,24 250.423,25 19.25,26 1.888,27 3.366,28 5.73,29 1.5,30 1,31 0.142,32 0.109,33 17.07,34 15,35 319,36 0.174,37 3.872,38 3.736,39 3.731,40 51.429,41 2.5,42 3.973,43 0.118,44 26.686,45 472.503,46 103.226,47 1.466,48 296.423,49 52,50 55,51 34.296,52 2.854,53 2.925,54 0.886,55 0.821,56 1.182,57 1.062,58 1.114,59 31.968,60 193.318,61 342.6,62 463.455,63 15.111,64 3.713,65 6.226}
{0 CHEMBL341139,1 3.572,2 12.462,3 3.739,4 7.184,5 1.804,6 1.754,7 1.926,8 1.944,9 5.751,10 70.17,11 70.17,12 23,13 1.973,14 13.997,15 2.812,16 4.021,17 4.144,18 2.773,19 2.763,20 0.13,21 2.773,22 246.913,23 256.423,24 258.423,25 20.228,26 1.887,27 3.277,28 5.669,29 1.1,30 0.983,31 0.157,32 0.123,33 15.902,34 14,35 324,36 0.173,37 3.816,38 3.619,39 3.616,40 51.429,41 2.17,42 3.955,43 0.168,44 25.154,45 470.424,46 104.059,47 1.354,48 296.423,49 52,50 55,51 34.296,52 2.91,53 2.975,54 0.926,55 0.872,56 1.181,57 1.122,58 1.14,59 31.968,60 193.318,61 342.6,62 463.455,63 15.216,64 3.776,65 7.071}
{0 CHEMBL377459,1 3.082,2 8.526,3 3.206,4 5.092,5 1.613,6 1.542,7 1.817,8 1.833,9 5.514,10 59.077,11 59.077,12 4,13 1.848,14 9.692,15 1.945,16 3.823,17 3.969,18 2.652,19 2.645,20 0.156,21 2.67,22 189.722,23 192.477,24 192.477,25 14.78,26 1.772,27 2.753,28 5.343,29 -0.078,30 -0.07,31 0.188,32 0.143,33 12.223,35 162,36 0.029,37 3.706,38 3.452,39 3.453,40 41.469,41 0.973,42 3.249,43 0.041,44 13.839,45 379.443,46 77.79,47 0.969,48 226.477,49 42,50 44,51 26.086,52 2.844,53 2.925,54 0.83,55 0.753,56 1.125,57 1.062,58 1.103,59 24.047,60 148.072,61 253.95,62 353.056,63 11.333,64 3.471,65 7}
{0 CHEMBL378548,1 3.622,2 12.815,3 3.788,4 7.282,5 1.812,6 1.765,7 1.93,8 1.947,9 5.866,10 80.506,11 80.506,12 10,13 1.957,14 15.313,15 2.805,16 4.088,17 4.219,18 2.805,19 2.799,20 0.11,21 2.866,22 271.22,23 273.975,24 273.975,25 21.447,26 1.877,27 3.812,28 5.788,29 1.495,30 1,31 0.133,32 0.101,33 19.955,34 2,35 346,36 0.111,37 3.866,38 3.705,39 3.705,40 54.349,41 2.496,42 4.055,43 0.108,44 30.963,45 527.388,46 115.32,47 1.671,48 317.975,49 55,50 58,51 36.722,52 2.968,53 3.045,54 0.937,55 0.867,56 1.201,57 1.17,58 1.189,59 33.653,60 210.957,61 363.15,62 506.495,63 17.261,64 3.979,65 7}
{0 CHEMBL382223,1 3.259,2 9.857,3 3.387,4 5.634,5 1.642,6 1.569,7 1.841,8 1.858,9 5.738,10 65.454,11 65.454,12 4,13 1.874,14 11.96,15 2.249,16 3.942,17 4.089,18 2.735,19 2.715,20 0.143,21 2.687,22 224.568,23 227.323,24 227.323,25 18.162,26 1.789,27 3.011,28 5.538,29 0.506,30 0.486,31 0.173,32 0.132,33 14.316,34 1,35 207,36 0.062,37 3.736,38 3.481,39 3.483,40 47.236,41 1.509,42 3.407,43 0.097,44 17.388,45 434.343,46 87.833,47 1.154,48 268.078,49 48,50 50,51 29.608,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.063,58 1.107,59 27.101,60 167.257,61 288.55,62 399.867,63 12.987,64 3.632,65 6}
{0 CHEMBL405524,1 3.567,2 12.556,3 3.752,4 7.273,5 1.784,6 1.731,7 1.931,8 1.939,9 5.835,10 76.34,11 76.34,12 13,13 1.946,14 14.208,15 2.867,16 4.063,17 4.191,18 2.798,19 2.789,20 0.127,21 2.811,22 262.499,23 270.009,24 270.009,25 20.664,26 1.887,27 3.329,28 5.779,29 1.355,30 1,31 0.153,32 0.12,33 18.541,34 11,35 339,36 0.193,37 3.817,38 3.617,39 3.615,40 53.53,41 2.387,42 3.986,43 0.173,44 26.516,45 490.323,46 108.762,47 1.511,48 310.764,49 54,50 57,51 35.302,52 2.971,53 3.046,54 0.966,55 0.901,56 1.282,57 1.201,58 1.228,59 32.989,60 200.112,61 353.6,62 480.033,63 15.956,64 3.88,65 6.244}
{0 CHEMBL416916,1 3.315,2 10.125,3 3.461,4 5.96,5 1.722,6 1.669,7 1.87,8 1.885,9 5.892,10 65.743,11 65.743,12 18,13 1.907,14 14.199,15 2.349,16 3.99,17 4.123,18 2.735,19 2.715,20 0.126,21 2.706,22 239.438,23 248.193,24 248.193,25 20.608,26 1.92,27 3.218,28 5.692,29 1.051,30 0.983,31 0.153,32 0.117,33 17.477,34 9,35 243,36 0.083,37 3.784,38 3.601,39 3.599,40 49.134,41 2.08,42 3.673,43 0.127,44 20.625,45 451.913,46 99.782,47 1.465,48 282.193,49 50,50 53,51 32.603,52 2.887,53 2.983,54 0.886,55 0.821,56 1.205,57 1.156,58 1.188,59 30.079,60 182.657,61 315.57,62 437.442,63 14.065,64 3.819,65 6.523}
{0 CHEMBL417277,1 3.686,2 13.452,3 3.873,4 7.692,5 1.726,6 1.674,7 1.889,8 1.894,9 6.315,10 88.472,11 88.472,12 18,13 1.909,14 16.441,15 3.106,16 4.192,17 4.309,18 2.928,19 2.91,20 0.107,21 2.866,22 317.02,23 325.775,24 325.775,25 23.705,26 1.921,27 3.812,28 6.095,29 1.5,30 1.182,31 0.122,32 0.093,33 21.592,34 11,35 417,36 0.136,37 3.797,38 3.605,39 3.605,40 60.883,41 2.5,42 4.265,43 0.284,44 39.513,45 587.768,46 119.058,47 1.863,48 361.775,49 61,50 64,51 39.489,52 3.111,53 3.197,54 1.082,55 1.039,56 1.294,57 1.347,58 1.354,59 37.277,60 227.16,61 405.86,62 546.03,63 17.666,64 4.101,65 6.301}
{0 CHEMBL418373,1 3.195,2 9.304,3 3.349,4 5.575,5 1.705,6 1.647,7 1.871,8 1.892,9 5.926,10 67.935,11 67.935,12 13,13 1.922,14 15.736,15 2.657,16 4.023,17 4.159,18 2.771,19 2.747,20 0.153,21 2.722,22 251.315,23 258.07,24 258.07,25 22.96,26 1.843,27 3.103,28 5.859,29 1,30 0.983,31 0.176,32 0.14,33 20.843,34 8,35 214,36 0.07,37 3.765,38 3.568,39 3.559,40 52.069,41 2,42 3.474,43 0.081,44 19.622,45 483.676,46 91.098,47 1.676,48 303.58,49 53,50 55,51 32.955,52 2.959,53 3.054,54 0.986,55 0.896,56 1.358,57 1.237,58 1.284,59 30.09,60 184.978,61 325.92,62 443.106,63 14.592,64 3.837,65 5.301}
{0 CHEMBL437316,1 3.31,2 10.043,3 3.461,4 5.94,5 1.681,6 1.62,7 1.852,8 1.87,9 5.77,10 70.076,11 70.076,12 5,13 1.896,14 12.427,15 2.426,16 4.014,17 4.16,18 2.735,19 2.715,20 0.133,21 2.699,22 250.913,23 253.668,24 253.668,25 19.081,26 1.798,27 3.213,28 5.726,29 1,30 0.96,31 0.159,32 0.122,33 18.03,34 1,35 231,36 0.078,37 3.755,38 3.546,39 3.542,40 51.12,41 2,42 3.556,43 0.113,44 20.544,45 476.837,46 96.53,47 1.465,48 296.423,49 52,50 54,51 32.37,52 2.873,53 2.954,54 0.886,55 0.821,56 1.25,57 1.11,58 1.168,59 29.627,60 183.514,61 320.51,62 439.535,63 14.194,64 3.74,65 7}
{0 CHEMBL461783,1 3.299,2 10.115,3 3.443,4 5.962,5 1.73,6 1.681,7 1.863,8 1.883,9 6.028,10 75.09,11 75.09,12 20,13 1.907,14 21.492,15 2.534,16 4.043,17 4.172,18 2.842,19 2.715,20 0.128,21 2.866,22 258.825,23 267.58,24 267.58,25 25.737,26 1.937,27 3.769,28 5.795,29 1.149,30 0.983,31 0.155,32 0.12,33 20.956,34 11,35 263,36 0.103,37 3.784,38 3.65,39 3.616,40 52.087,41 2.169,42 3.721,43 0.217,44 21.692,45 521.475,46 115.397,47 1.751,48 303.58,49 53,50 56,51 37.023,52 2.886,53 2.972,54 0.886,55 0.821,56 1.181,57 1.112,58 1.137,59 32.923,60 209.834,61 358.15,62 503.754,63 17.23,64 4.446,65 8.523}
{0 CHEMBL461956,1 3.627,2 12.821,3 3.791,4 7.328,5 1.849,6 1.808,7 1.967,8 1.978,9 5.907,10 80.517,11 80.517,12 16,13 1.996,14 15.274,15 2.817,16 4.135,17 4.256,18 2.87,19 2.866,20 0.106,21 2.866,22 285.008,23 295.763,24 295.763,25 21.829,26 1.878,27 3.673,28 5.885,29 1.5,30 1,31 0.129,32 0.098,33 20.129,34 9,35 359,36 0.136,37 3.894,38 3.746,39 3.743,40 57.523,41 2.5,42 4.141,43 0.132,44 31.673,45 535.384,46 110.354,47 1.726,48 339.763,49 58,50 61,51 37.273,52 3.052,53 3.114,54 1.03,55 0.967,56 1.324,57 1.266,58 1.284,59 34.736,60 209.834,61 371.33,62 503.754,63 16.343,64 3.882,65 7.971}
{0 CHEMBL462659,1 3.526,2 11.964,3 3.674,4 6.785,5 1.721,6 1.67,7 1.874,8 1.887,9 5.97,10 80.517,11 80.517,12 18,13 1.907,14 16.015,15 2.591,16 4.135,17 4.256,18 2.848,19 2.842,20 0.111,21 2.866,22 293.008,23 301.763,24 301.763,25 22.667,26 1.92,27 3.659,28 5.945,29 1.48,30 1,31 0.134,32 0.102,33 21.396,34 11,35 335,36 0.103,37 3.785,38 3.601,39 3.599,40 57.523,41 2.483,42 4.036,43 0.212,44 29.75,45 533.686,46 111.011,47 1.839,48 339.763,49 58,50 61,51 37.273,52 3.014,53 3.083,54 0.996,55 0.93,56 1.276,57 1.247,58 1.251,59 34.736,60 209.834,61 371.33,62 503.754,63 16.395,64 4.003,65 9.114}
{0 CHEMBL473129,1 3.473,2 11.462,3 3.614,4 6.555,5 1.779,6 1.73,7 1.917,8 1.928,9 5.936,10 72.046,11 72.046,12 16,13 1.943,14 13.466,15 2.884,16 3.998,17 4.112,18 2.735,19 2.715,20 0.128,21 2.73,22 242.193,23 244.193,24 248.193,25 18.653,26 1.904,27 3.377,28 5.853,29 1.229,30 0.983,31 0.141,32 0.107,33 17.224,34 10,35 298,36 0.128,37 3.838,38 3.667,39 3.664,40 49.872,41 2.365,42 3.846,43 0.172,44 24,45 470.619,46 100.712,47 1.48,48 282.193,49 50,50 53,51 32.989,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 31.156,60 187.722,61 334.09,62 449.801,63 14.774,64 3.886,65 8.478}
{0 CHEMBL473546,1 3.397,2 10.76,3 3.538,4 6.268,5 1.783,6 1.732,7 1.916,8 1.935,9 5.912,10 65.989,11 65.989,12 18,13 1.963,14 13.472,15 2.395,16 3.989,17 4.106,18 2.735,19 2.715,20 0.133,21 2.702,22 234.583,23 244.193,24 248.193,25 18.706,26 1.907,27 3.25,28 5.674,29 1.145,30 0.983,31 0.146,32 0.111,33 17.281,34 10,35 269,36 0.103,37 3.833,38 3.667,39 3.662,40 49.36,41 2.307,42 3.781,43 0.146,44 22.272,45 467.785,46 100.495,47 1.455,48 282.193,49 50,50 53,51 33.052,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 30.773,60 186.523,61 328.02,62 446.877,63 14.474,64 3.85,65 8.367}
{0 CHEMBL473547,1 3.473,2 11.462,3 3.614,4 6.555,5 1.781,6 1.733,7 1.901,8 1.921,9 5.913,10 72.046,11 72.046,12 18,13 1.927,14 14.293,15 2.872,16 3.993,17 4.104,18 2.735,19 2.715,20 0.128,21 2.866,22 242.193,23 244.193,24 248.193,25 19.005,26 1.909,27 3.717,28 5.719,29 1.229,30 0.983,31 0.141,32 0.107,33 17.674,34 11,35 298,36 0.128,37 3.832,38 3.679,39 3.669,40 49.589,41 2.365,42 3.846,43 0.172,44 24,45 495.547,46 108.118,47 1.471,48 282.193,49 50,50 53,51 34.404,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 31.798,60 198.437,61 347.3,62 475.947,63 16.36,64 4.001,65 9.602}
{0 CHEMBL473548,1 3.473,2 11.462,3 3.614,4 6.555,5 1.785,6 1.734,7 1.926,8 1.94,9 5.938,10 72.104,11 72.104,12 16,13 1.957,14 13.746,15 2.541,16 4.032,17 4.158,18 2.735,19 2.715,20 0.128,21 2.755,22 254.423,23 256.423,24 260.423,25 19.343,26 1.909,27 3.355,28 5.763,29 1.229,30 0.983,31 0.141,32 0.107,33 17.399,34 10,35 298,36 0.128,37 3.843,38 3.67,39 3.666,40 51.461,41 2.365,42 3.846,43 0.172,44 24,45 482.192,46 105.196,47 1.459,48 296.423,49 52,50 55,51 34.057,52 2.914,53 3.014,54 0.886,55 0.821,56 1.198,57 1.179,58 1.196,59 31.794,60 193.318,61 339.02,62 463.455,63 14.974,64 3.884,65 8.775}
{0 CHEMBL473751,1 3.569,2 12.286,3 3.745,4 7.128,5 1.795,6 1.745,7 1.967,8 1.966,9 6.04,10 78.276,11 78.276,12 16,13 1.962,14 13.682,15 2.91,16 4.048,17 4.158,18 2.803,19 2.847,20 0.122,21 2.866,22 254.423,23 256.423,24 260.423,25 18.937,26 1.925,27 3.522,28 5.774,29 1.5,30 1,31 0.132,32 0.1,33 17.412,34 10,35 344,36 0.153,37 3.871,38 3.678,39 3.68,40 52.232,41 2.5,42 4,43 0.192,44 28.204,45 505.711,46 107.82,47 1.459,48 296.423,49 52,50 55,51 34.205,52 3.061,53 3.112,54 0.973,55 0.921,56 1.185,57 1.256,58 1.257,59 32.697,60 198.383,61 353.96,62 475.814,63 15.66,64 3.99,65 9.319}
{0 CHEMBL50880,1 3.504,2 11.556,3 3.671,4 6.817,5 1.81,6 1.763,7 1.923,8 1.944,9 5.838,10 78.289,11 78.289,12 17,13 1.953,14 17.824,15 2.707,16 4.093,17 4.222,18 2.941,19 2.82,20 0.11,21 2.866,22 274.947,23 289.212,24 289.212,25 22.486,26 1.894,27 4.08,28 5.771,29 1.5,30 1,31 0.133,32 0.102,33 21.195,34 7,35 312,36 0.103,37 3.863,38 3.718,39 3.705,40 54.97,41 2.5,42 4.003,43 0.159,44 27.778,45 546.754,46 120.342,47 1.792,48 325.212,49 56,50 59,51 38.785,52 2.904,53 2.987,54 0.928,55 0.853,56 1.243,57 1.141,58 1.181,59 34.45,60 219.426,61 375.45,62 527.159,63 17.962,64 4.216,65 9.886}
{0 CHEMBL510679,1 3.526,2 11.964,3 3.674,4 6.785,5 1.721,6 1.67,7 1.869,8 1.884,9 5.944,10 78.567,11 78.567,12 19,13 1.906,14 17.571,15 2.616,16 4.097,17 4.212,18 2.941,19 2.843,20 0.111,21 2.866,22 282.457,23 291.212,24 291.212,25 22.91,26 1.92,27 4.213,28 5.879,29 1.491,30 1,31 0.134,32 0.102,33 21.801,34 11,35 335,36 0.103,37 3.783,38 3.849,39 3.6,40 55.196,41 2.494,42 4.036,43 0.212,44 29.75,45 558.388,46 123.113,47 1.841,48 325.212,49 56,50 59,51 39.233,52 2.995,53 3.065,54 0.994,55 0.928,56 1.273,57 1.195,58 1.227,59 35.143,60 223.293,61 387.9,62 536.595,63 18.293,64 4.22,65 9.347}
{0 CHEMBL516814,1 3.694,2 13.536,3 3.878,4 7.726,5 1.849,6 1.808,7 1.967,8 1.978,9 5.885,10 80.517,11 80.517,12 16,13 1.996,14 15.381,15 2.833,16 4.135,17 4.256,18 2.93,19 2.91,20 0.106,21 2.866,22 289.008,23 295.763,24 295.763,25 21.905,26 1.878,27 3.594,28 5.865,29 1.497,30 1,31 0.129,32 0.098,33 20.281,34 9,35 379,36 0.082,37 3.895,38 3.746,39 3.743,40 57.523,41 2.497,42 4.18,43 0.182,44 34.184,45 535.384,46 110.354,47 1.69,48 339.763,49 58,50 61,51 37.273,52 3.091,53 3.161,54 1.076,55 1.011,56 1.348,57 1.289,58 1.313,59 34.736,60 209.834,61 371.33,62 503.754,63 16.343,64 3.886,65 6.481}
{0 CHEMBL575994,1 3.345,2 10.56,3 3.501,4 6.081,5 1.755,6 1.709,7 1.916,8 1.93,9 5.779,10 68.975,11 68.975,12 16,13 1.951,14 13.572,15 2.401,16 4.009,17 4.131,18 2.754,19 2.74,20 0.143,21 2.731,22 231.684,23 247.294,24 253.294,25 19.078,26 1.877,27 3.331,28 5.706,29 1.226,30 0.983,31 0.163,32 0.129,33 18.846,34 12,35 264,36 0.041,37 3.76,38 3.568,39 3.564,40 50.429,41 2.253,42 3.776,43 0.099,44 24.922,45 454.901,46 99.913,47 1.672,48 289.294,49 51,50 54,51 33.296,52 2.877,53 2.944,54 0.894,55 0.835,56 1.181,57 1.08,58 1.112,59 30.968,60 186.653,61 327.94,62 447.193,63 14.664,64 3.858,65 9}
{0 CHEMBL87379,1 3.295,2 10,3 3.424,4 5.806,5 1.721,6 1.668,7 1.865,8 1.883,9 5.749,10 59.743,11 59.743,12 21,13 1.907,14 13.748,15 2.34,16 3.945,17 4.069,18 2.735,19 2.715,20 0.129,21 2.687,22 212.469,23 226.078,24 234.078,25 19.526,26 1.92,27 3.096,28 5.571,29 1,30 0.983,31 0.157,32 0.12,33 16.444,34 9,35 230,36 0.049,37 3.78,38 3.6,39 3.597,40 47.032,41 2,42 3.635,43 0.111,44 19.198,45 437.507,46 95.082,47 1.392,48 268.078,49 48,50 51,51 31.597,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 29.058,60 175.862,61 304.57,62 420.864,63 13.565,64 3.726,65 10.26}
{0 CHEMBL87414,1 3.544,2 12.138,3 3.704,4 6.953,5 1.828,6 1.784,7 1.944,8 1.956,9 5.975,10 82.737,11 82.737,12 22,13 1.979,14 17.083,15 2.801,16 4.178,17 4.307,18 2.941,19 2.91,20 0.114,21 2.866,22 298.904,23 312.413,24 314.413,25 25.406,26 1.885,27 3.783,28 5.894,29 1.5,30 1.115,31 0.138,32 0.108,33 21.8,34 9,35 352,36 0.144,37 3.877,38 3.699,39 3.703,40 59.298,41 2.5,42 4.137,43 0.244,44 29.106,45 534.714,46 115.864,47 1.91,48 354.413,49 60,50 64,51 38.824,52 3.096,53 3.181,54 1.137,55 1.062,56 1.435,57 1.339,58 1.382,59 36.043,60 214.831,61 378.48,62 515.947,63 17.064,64 4.02,65 9.444}
{0 CHEMBL87594,1 3.292,2 10.04,3 3.419,4 5.83,5 1.79,6 1.742,7 1.912,8 1.933,9 5.885,10 63.999,11 63.999,12 28,13 1.967,14 16.526,15 2.558,16 4.035,17 4.158,18 2.803,19 2.792,20 0.13,21 2.79,22 239.668,23 250.913,24 263.668,25 23.65,26 1.907,27 3.351,28 5.631,29 1.008,30 0.983,31 0.157,32 0.123,33 18.081,34 12,35 251,36 0.077,37 3.776,38 3.599,39 3.596,40 50.916,41 2.056,42 3.76,43 0.137,44 19.856,45 459.827,46 102.796,47 1.535,48 296.423,49 52,50 56,51 34.358,52 2.931,53 3,54 0.975,55 0.915,56 1.232,57 1.155,58 1.186,59 31.585,60 187.654,61 326.81,62 449.635,63 14.825,64 3.902,65 9.444}
{0 CHEMBL89812,1 3.497,2 11.522,3 3.641,4 6.642,5 1.734,6 1.679,7 1.884,8 1.9,9 5.631,10 64.588,11 64.588,12 19,13 1.917,14 11.867,15 2.608,16 3.91,17 4.032,18 2.735,19 2.715,20 0.125,21 2.687,22 214.311,23 221.066,24 221.066,25 16.044,26 1.894,27 3.419,28 5.498,29 1,30 0.983,31 0.155,32 0.115,33 14.836,34 6,35 265,36 0.066,37 3.8,38 3.611,39 3.607,40 46.261,41 2,42 3.705,43 0.147,44 21.913,45 471.13,46 99.725,47 1.239,48 261.066,49 47,50 49,51 31.949,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 29.083,60 185.577,61 318.91,62 444.568,63 14.952,64 3.725,65 6.77}
{0 CHEMBL94733,1 3.082,2 8.526,3 3.206,4 5.092,5 1.653,6 1.594,7 1.823,8 1.845,9 5.519,10 57.29,11 57.29,12 11,13 1.877,14 9.901,15 1.857,16 3.833,17 3.975,18 2.719,19 2.715,20 0.155,21 2.687,22 196.574,23 199.329,24 199.329,25 15.033,26 1.77,27 2.772,28 5.295,29 -0.078,30 -0.071,31 0.189,32 0.143,33 12.734,34 5,35 162,36 0.029,37 3.716,38 3.514,39 3.505,40 42.251,41 0.973,42 3.249,43 0.041,44 13.839,45 389.376,46 78.026,47 1.012,48 233.329,49 43,50 45,51 26.841,52 2.854,53 2.925,54 0.886,55 0.821,56 1.181,57 1.062,58 1.107,59 24.552,60 150.87,61 260.25,62 359.884,63 11.463,64 3.481,65 5.538}
{0 CHEMBL95701,1 3.46,2 11.37,3 3.602,4 6.498,5 1.722,6 1.665,7 1.882,8 1.897,9 6.019,10 81.907,11 81.907,12 15,13 1.917,14 21.03,15 2.47,16 4.154,17 4.29,18 2.932,19 2.892,20 0.112,21 2.891,22 306.149,23 314.413,24 314.413,25 27.577,26 1.893,27 4.067,28 5.916,29 1.428,30 1,31 0.138,32 0.106,33 25.411,34 11,35 307,36 0.103,37 3.791,38 3.808,39 3.591,40 58.738,41 2.436,42 3.93,43 0.177,44 26.535,45 574.013,46 121.409,47 2.089,48 354.413,49 60,50 63,51 40.307,52 3.065,53 3.141,54 1.059,55 0.989,56 1.338,57 1.28,58 1.305,59 35.503,60 225.281,61 391.63,62 541.445,63 18.376,64 4.198,65 9.398}
{0 CHEMBL95857,1 3.623,2 12.774,3 3.771,4 7.242,5 1.874,6 1.842,7 1.972,8 1.982,9 6.114,10 89.023,11 89.023,12 18,13 1.999,14 19.905,15 2.91,16 4.263,17 4.395,18 2.936,19 2.91,20 0.096,21 2.879,22 338.665,23 350.93,24 350.93,25 29.013,26 1.911,27 3.886,28 6.089,29 1.5,30 1.182,31 0.118,32 0.091,33 26.917,34 11,35 396,36 0.173,37 3.912,38 3.795,39 3.79,40 65.065,41 2.5,42 4.315,43 0.218,44 34.502,45 588.518,46 124.67,47 2.359,48 398.93,49 66,50 70,51 42.347,52 3.101,53 3.179,54 1.1,55 1.027,56 1.391,57 1.316,58 1.346,59 39.096,60 234.015,61 413.08,62 562.757,63 18.374,64 4.101,65 9.004}
{0 CHEMBL97524,1 3.56,2 12.161,3 3.71,4 6.992,5 1.877,6 1.845,7 1.968,8 1.983,9 6.237,10 86.098,11 86.098,12 20,13 2.008,14 18.992,15 2.843,16 4.248,17 4.375,18 2.936,19 2.91,20 0.107,21 2.876,22 331.944,23 343.454,24 345.454,25 27.098,26 1.911,27 3.843,28 6.136,29 1.5,30 1.183,31 0.12,32 0.092,33 25.88,34 11,35 377,36 0.144,37 3.904,38 3.795,39 3.788,40 63.996,41 2.5,42 4.259,43 0.197,44 32.275,45 589.886,46 124.285,47 2.274,48 391.454,49 65,50 69,51 42.103,52 3.106,53 3.172,54 1.088,55 1.026,56 1.343,57 1.306,58 1.321,59 38.901,60 233.886,61 413.16,62 562.442,63 18.274,64 4.174,65 7.883}