"molecule_id","N.068","nRNR2","D.Dtr09","SsssN","nR09","piID","SdsCH","NsssN","O.060","C.016","SssO","nArCNO","NNRS","NssO","NdsCH","CATS2D_04_AA","IDDE","D.Dtr10","SaasC","IC5","C.039","Eig08_AEA.bo.","Eig09_AEA.bo.","SM02_EA.ed.","SM02_AEA.bo.","Wap","TPC","H.047","Eig10_AEA.dm.","SpAD_EA.bo.","piPC01","SCBO","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Eig10_EA.ri.","SpMax4_Bh.p.","TIC1","Eig09_EA.bo.","Eig07_AEA.bo.","nR10","SpMin3_Bh.p.","CATS2D_03_AA","nCIC","TRS","MPC01","MWC01","nBO","SRW02","SpAD_AEA.bo.","Eig15_AEA.bo.","IC4","Chi1_EA.ri.","RDSQ","SpMax4_Bh.v.","SRW07","SMTI","Eta_betaS","AMR","UNIP","GMTI","IDDM","BIC0","SIC0","nArOR","X2sol","HVcpx","pXC50"
{1 1,2 1,4 2.454,6 11.383,8 1,11 5.436,13 1,14 1,17 4.789,19 3.164,20 5.497,22 3.399,23 3.276,24 7.256,25 5.457,26 73602,27 8.568,28 27,29 2.182,30 96.008,31 4.205,32 66,33 25.033,34 25.033,35 25.033,36 25.033,37 25.033,38 1.795,39 3.726,40 326.055,41 2.399,42 3.518,44 1.998,46 5,47 30,48 3.951,49 3.951,50 51,51 4.635,52 76.541,53 2.5,54 5.497,55 25.584,56 505.545,57 3.742,59 38810,60 29.25,61 186.226,62 278,63 40789,64 5.53,65 0.222,66 0.231,68 19.956,69 3.856,70 6.29}
{0 CHEMBL100879,1 2,2 2,3 118.575,4 5.004,5 1,6 11.206,7 2.349,8 2,9 4,10 1,11 22.856,12 1,13 0.6,14 4,15 1,16 4,17 4.56,18 134.173,19 4.39,20 5.277,21 1,22 3.069,23 2.793,24 6.864,25 5.086,26 69642,27 8.52,28 26,29 1.914,30 65.969,31 3.818,32 44.5,33 18.14,34 18.14,35 18.14,36 18.14,37 18.14,38 1.309,39 3.526,40 219.274,41 1.793,42 3.225,43 1,44 1.826,45 3,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 55.753,53 1.63,54 5.246,55 19.525,56 306.798,57 3.534,58 5.283,59 16763,60 22.25,61 132.169,62 169,63 18071,64 5.012,65 0.254,66 0.265,67 3,68 14.779,69 3.809,70 9.699}
{0 CHEMBL101361,1 2,2 2,3 133.456,4 4.965,5 1,6 11.906,7 2.299,8 2,9 5,10 1,11 28.414,12 1,13 0.6,14 5,15 1,16 4,17 4.781,18 151.415,19 5.07,20 5.431,21 1,22 3.086,23 2.917,24 6.95,25 5.159,26 97420,27 8.766,28 31,29 2.13,30 71.086,31 3.892,32 48,33 19.544,34 19.544,35 19.544,36 19.544,37 19.544,38 1.341,39 3.529,40 230.5,41 2.085,42 3.255,43 1,44 1.985,45 3,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 59.67,53 1.725,54 5.287,55 20.779,56 343.493,57 3.54,58 4.727,59 21269,60 24.25,61 139.798,62 202,63 22723,64 5.141,65 0.234,66 0.243,67 4,68 15.268,69 3.889,70 9.046}
{0 CHEMBL101411,1 2,2 2,3 124.177,4 4.937,5 1,6 11.697,7 4.374,8 2,9 4,10 2,11 22.831,12 1,13 0.6,14 4,15 2,16 4,17 4.536,18 140.604,19 4.936,20 5.226,21 1,22 3.113,23 2.806,24 6.858,25 5.112,26 84391,27 8.649,28 29,29 2.131,30 67.732,31 3.85,32 46,33 18.645,34 18.645,35 18.645,36 18.645,37 18.645,38 1.314,39 3.524,40 219.263,41 1.808,42 3.278,43 1,44 1.963,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.768,53 1.629,54 5.195,55 19.979,56 314.986,57 3.536,58 4.727,59 18745,60 23,61 133.858,62 185,63 20165,64 5.053,65 0.255,66 0.265,67 3,68 15.062,69 3.914,70 8}
{0 CHEMBL101596,1 2,2 2,3 118.393,4 5.021,5 1,6 11.191,7 2.291,8 2,9 4,10 1,11 22.863,12 1,13 0.6,14 4,15 1,16 4,17 4.56,18 133.979,19 4.336,20 5.277,21 1,22 3.038,23 2.79,24 6.853,25 5.086,26 69427,27 8.52,28 25,29 2.121,30 65.918,31 3.818,32 44.5,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.304,39 3.538,40 218.52,41 1.788,42 3.223,43 1,44 1.841,45 3,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 55.65,53 1.629,54 5.246,55 19.535,56 307.094,57 3.54,58 5.283,59 16676,60 22.25,61 132.292,62 168,63 17979,64 5.011,65 0.254,66 0.265,67 3,68 14.822,69 3.805,70 9.699}
{0 CHEMBL1019,6 9.462,13 0.667,17 3.852,18 64.971,19 2.46,20 4.644,22 2.118,23 1.583,24 6.116,25 4.522,26 4154,27 6.363,28 2,29 -0.157,30 40.023,31 3.332,32 27,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.293,39 2.937,40 85.077,41 0.37,42 2.332,43 1,44 1.601,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.315,53 -0.139,54 4.564,55 10.165,56 120.914,57 2.886,58 4.443,59 2354,60 12,61 65.988,62 44,63 2448,64 4.062,65 0.331,66 0.365,68 7.958,69 2.848,70 5}
{0 CHEMBL1022,6 7.527,13 1,17 2.896,19 2.397,20 4.011,22 1,23 0.569,24 5.796,25 4.245,26 1306,27 5.513,28 3,29 -0.947,30 29.96,31 3.068,32 20.5,33 7.395,34 7.395,35 7.395,36 7.395,37 7.395,38 -0.998,39 2.843,40 69.874,41 -0.833,42 1.567,44 1.544,46 2,47 11,48 2.773,49 2.773,50 15,51 3.434,52 22.145,53 -0.778,54 4.011,55 8.197,56 85.734,57 2.815,58 4.443,59 1326,60 9.5,61 56.582,62 30,63 1284,64 3.785,65 0.372,66 0.404,68 6.677,69 2.586,70 5.959}
{0 CHEMBL10316,6 7.631,9 2,11 11.4,13 0.667,14 2,16 1,17 3.323,18 53.14,19 1.609,20 4.459,22 1.689,23 0.813,24 5.958,25 4.311,26 3160,27 6.163,28 11,29 -0.255,30 30.95,31 3.091,32 21,33 8.426,34 8.426,35 8.426,36 8.426,37 8.426,38 -0.564,39 2.748,40 88.73,41 -0.509,42 1.871,43 1,44 1.681,45 2,46 3,47 17,48 2.89,49 2.89,50 17,51 3.555,52 25.397,53 -0.509,54 4.31,55 9.032,56 101.827,57 2.748,58 4.443,59 1688,60 10.5,61 54.624,62 36,63 1766,64 3.883,65 0.318,66 0.337,67 2,68 6.422,69 2.729,70 7.75}
{0 CHEMBL10332,6 7.747,9 2,11 17.063,13 0.667,14 3,16 1,17 3.499,18 63.811,19 1.413,20 4.543,22 1.713,23 1.501,24 6.34,25 4.437,26 3660,27 6.328,28 13,29 0.193,30 33.971,31 3.178,32 23,33 9.275,34 9.275,35 9.275,36 9.275,37 9.275,38 -0.32,39 2.859,40 105.051,41 0.454,42 1.928,43 1,44 1.681,45 4,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.42,53 -0.398,54 4.414,55 9.777,56 125.518,57 2.858,58 4.443,59 2173,60 12,61 60.843,62 39,63 2220,64 4.062,65 0.313,66 0.329,67 2,68 7.245,69 2.703,70 8}
{0 CHEMBL10347,1 1,2 1,3 113.369,4 2.588,5 2,6 10.632,8 1,9 1,11 5.042,13 0.2,14 1,17 4.364,18 115.18,19 2.755,20 5.378,22 2.862,23 2.642,24 6.853,25 4.916,26 55192,27 8.458,28 13,29 1.454,30 54.818,31 3.611,32 36,33 14.747,34 14.747,35 14.747,36 14.747,37 14.747,38 1.174,39 3.236,40 185.229,41 1.655,42 3.005,43 2,44 1.908,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.483,53 0.831,54 5.378,55 15.184,56 248.97,57 3.255,58 4.844,59 6932,60 17.25,61 99.63,62 84,63 7458,64 4.675,65 0.243,66 0.254,68 11.686,69 3.131,70 9}
{0 CHEMBL106525,1 1,2 1,4 4.84,6 12.798,8 2,13 0.6,17 4.022,18 202.922,19 3.51,20 4.686,22 2.847,23 2.747,24 6.701,25 5.014,26 43638,27 8.154,28 23,29 1.247,30 64.414,31 3.784,32 43,33 15.84,34 15.84,35 15.84,36 15.84,37 15.84,38 1.24,39 3.558,40 155.575,41 1.87,42 3.015,43 2,44 1.888,45 1,46 5,47 30,48 3.497,49 3.497,50 32,51 4.174,52 48.264,53 1.168,54 4.686,55 16.392,56 255.923,57 3.564,59 9726,60 18.5,61 115.022,62 110,63 10648,64 4.778,65 0.217,66 0.231,68 12.353,69 3.385,70 7.553}
{0 CHEMBL1079079,1 1,4 1.908,6 10.403,8 1,9 1,11 5.265,13 1,14 1,16 4,17 4.696,19 4.218,20 5.072,22 2.882,23 2.846,24 6.779,25 5.083,26 17664,27 7.576,28 15,29 1.492,30 65.528,31 3.839,32 45.5,33 16.658,34 16.658,35 16.658,36 16.658,37 16.658,38 1.059,39 3.62,40 200.719,41 1.691,42 3.245,44 1.933,45 2,46 4,47 23,48 3.555,49 3.555,50 34,51 4.234,52 52.101,53 1.66,54 5.072,55 17.537,56 291.445,57 3.619,58 4.844,59 11116,60 19.5,61 127.884,62 112,63 11525,64 4.919,65 0.273,66 0.289,67 1,68 14.157,69 3.307,70 5}
{0 CHEMBL1082723,3 206.459,5 3,6 11.611,13 0.2,17 4.624,19 3.24,20 5.153,22 3.108,23 2.932,24 7.054,25 5.011,26 43135,27 8.299,28 6,29 1.511,30 61.141,31 3.689,32 39,33 14.776,34 14.776,35 14.776,36 14.776,37 14.776,38 1.062,39 3.245,40 163.393,41 2.073,42 3.164,44 1.889,46 5,47 28,48 3.434,49 3.434,50 30,51 4.111,52 48.047,53 0.739,54 5.153,55 15.633,56 260.5,57 3.247,58 5.587,59 6359,60 17.5,61 98.669,62 74,63 6737,64 4.673,65 0.315,66 0.339,68 12.744,69 2.965,70 5}
{0 CHEMBL1085510,1 2,2 2,3 104.094,4 7.413,5 1,6 11.275,7 4.496,8 3,9 1,10 2,11 5.943,12 1,13 0.6,14 1,15 2,16 3,17 4.348,18 120.259,19 3.757,20 5.261,21 1,22 2.937,23 2.581,24 6.72,25 5.011,26 54595,27 8.286,28 29,29 1.352,30 61.544,31 3.761,32 42,33 16.836,34 16.836,35 16.836,36 16.836,37 16.836,38 1.082,39 3.519,40 187.61,41 1.541,42 3.04,43 1,44 1.975,45 2,46 5,47 29,48 3.555,49 3.555,50 34,51 4.234,52 51.509,53 1.398,54 5.215,55 17.513,56 267.55,57 3.522,58 4.727,59 13327,60 20,61 124.092,62 146,63 14629,64 4.875,65 0.225,66 0.235,68 13.048,69 3.709,70 8.347}
{0 CHEMBL1098724,6 10.416,9 1,11 16.458,13 0.75,14 3,16 1,17 4.741,18 147.548,19 -2.698,20 5.69,21 1,22 3.259,23 3.025,24 7.015,25 5.112,26 32255,27 8.024,28 11,29 1.969,30 66.394,31 3.807,32 44,33 17.571,34 17.571,35 17.571,36 17.571,37 17.571,38 1.348,39 3.334,40 197.099,41 2.031,42 3.283,43 1,44 1.936,45 2,46 4,47 24,48 3.611,49 3.611,50 36,51 4.29,52 55.052,53 1.316,54 5.615,55 18.434,56 329.543,57 3.363,59 12377,60 21.75,61 108.128,62 117,63 12630,64 5.017,65 0.257,66 0.27,67 1,68 14.819,69 3.234,70 8.398}
{0 CHEMBL1108,1 1,2 1,3 127.227,4 4.034,5 1,6 10.068,7 2.09,8 2,10 1,13 0.75,15 1,16 1,17 4.423,19 1.968,20 5.244,21 1,22 2.851,23 2.839,24 6.635,25 4.956,26 23411,27 7.614,28 15,29 1.446,30 58.269,31 3.714,32 40,33 15.292,34 15.292,35 15.292,36 15.292,37 15.292,38 1,39 3.447,40 178.644,41 1.908,42 2.897,44 1.934,46 4,47 23,48 3.466,49 3.466,50 31,51 4.143,52 46.715,53 1.115,54 5.204,55 15.763,56 235.599,57 3.441,58 4.844,59 10834,60 18.25,61 107.736,62 132,63 11562,64 4.78,65 0.266,66 0.281,68 11.586,69 3.643,70 5.754}
{0 CHEMBL1113,1 1,2 1,4 2.289,6 10.274,8 1,9 1,11 6.063,13 0.5,14 1,16 1,17 4.278,19 4.063,20 4.722,22 2.553,23 2.182,24 6.45,25 4.736,26 15295,27 7.385,28 15,29 1.036,30 47.469,31 3.497,32 32,33 12.397,34 12.397,35 12.397,36 12.397,37 12.397,38 0.749,39 3.071,40 126.118,41 1.053,42 2.777,44 1.891,45 1,46 4,47 25,48 3.258,49 3.258,50 25,51 3.932,52 37.719,53 0.423,54 4.722,55 13.248,56 188.353,57 3.085,58 2.708,59 4270,60 15,61 87.304,62 59,63 4537,64 4.433,65 0.288,66 0.307,67 1,68 10.088,69 2.825,70 5.498}
{0 CHEMBL114166,1 1,2 1,4 2.343,6 7.818,7 2.101,8 1,9 1,10 1,11 5.907,13 0.5,14 1,15 1,17 4.037,19 4.423,20 4.571,22 1.542,23 1.174,24 6.125,25 4.449,26 3825,27 6.315,28 12,29 0.317,30 34.984,31 3.219,32 24,33 9.848,34 9.848,35 9.848,36 9.848,37 9.848,38 -0.103,39 3.154,40 124.194,41 0.064,42 2.117,44 1.856,46 2,47 13,48 3.045,49 3.045,50 20,51 3.714,52 29.043,53 -0.111,54 4.473,55 10.454,56 133.4,57 3.136,58 2.708,59 2994,60 11.5,61 83.051,62 53,63 2867,64 4.214,65 0.254,66 0.262,67 1,68 8.598,69 2.956,70 7.194}
{0 CHEMBL1189234,1 1,2 1,3 184.803,4 2.555,5 4,6 9.924,8 1,13 0.286,17 3.822,18 298.98,19 1.377,20 4.978,22 2.5,23 2.439,24 7.198,25 4.84,26 81005,27 8.934,28 8,29 0.772,30 47.978,31 3.401,32 29,33 12.927,34 12.927,35 12.927,36 12.927,37 12.927,38 0.76,39 3.111,40 110.806,41 1.436,42 2.656,43 6,44 1.743,46 7,47 35,48 3.296,49 3.296,50 26,51 3.97,52 43.999,53 0.166,54 4.978,55 13.161,56 203.146,57 3.098,58 6.874,59 3688,60 14,61 75.669,62 50,63 4344,64 4.292,65 0.231,66 0.244,68 10.214,69 2.758,70 6.166}
{0 CHEMBL1200633,3 207.251,5 1,6 12.32,7 9.454,9 1,10 5,11 63.921,13 0.429,14 10,15 5,16 6,17 5.748,20 6.561,22 3.769,23 3.468,24 7.692,25 5.663,26 840411,27 10.56,28 25,29 2.682,30 109.103,31 4.304,32 73,33 33.196,34 33.196,35 33.196,36 33.196,37 33.196,38 2.219,39 3.7,40 425.426,41 2.582,42 3.861,44 2.018,45 2,46 7,47 51,48 4.234,49 4.234,50 68,51 4.92,52 104.011,53 2.974,54 6.385,55 34.677,56 798.68,57 3.709,58 4.844,59 73153,60 40,61 230.325,62 392,63 77569,64 5.927,65 0.187,66 0.19,68 27.871,69 3.983,70 5.407}
{0 CHEMBL1201203,1 1,2 1,4 2.569,6 8.434,8 1,11 6.666,13 0.75,14 1,16 1,17 3.236,19 2.509,20 4.194,22 2.5,23 2.5,24 6.457,25 4.736,26 8456,27 6.974,28 17,29 1,30 47.101,31 3.497,32 32,33 12.877,34 12.877,35 12.877,36 12.877,37 12.877,38 1,39 3.193,40 131.036,41 1.5,42 2.781,44 1.905,46 4,47 23,48 3.296,49 3.296,50 26,51 3.97,52 39.39,53 0.618,54 4.194,55 13.244,56 191.486,57 3.198,58 4.844,59 5270,60 14.25,61 94.24,62 68,63 5641,64 4.499,65 0.213,66 0.223,68 9.99,69 3.015,70 6.403}
{0 CHEMBL1204386,6 9.595,11 5.856,13 1,14 1,17 3.822,19 3.734,20 4.837,22 2.5,23 2.157,24 6.395,25 4.663,26 9075,27 6.939,28 15,29 1,30 43.931,31 3.434,32 30,33 11.414,34 11.414,35 11.414,36 11.414,37 11.414,38 0.556,39 3.275,40 109.549,41 1.098,42 2.5,44 1.682,45 1,46 4,47 20,48 3.178,49 3.178,50 23,51 3.85,52 34.602,53 0.5,54 4.76,55 11.805,56 157.38,57 3.286,58 6.107,59 3761,60 13,61 78.071,62 56,63 4047,64 4.294,65 0.255,66 0.272,68 8.618,69 2.994,70 5.37}
{0 CHEMBL12089,3 61.757,5 1,6 12.044,9 4,11 22.111,13 0.2,14 4,17 4.404,18 168.527,19 6.858,20 5.066,22 2.638,23 2.234,24 6.781,25 4.922,26 49516,27 8.361,28 13,29 1.342,30 57.717,31 3.651,32 37.5,33 14.211,34 14.211,35 14.211,36 14.211,37 14.211,38 0.879,39 3.168,40 143.19,41 1.214,42 3.056,43 3,44 1.679,45 1,46 5,47 29,48 3.401,49 3.401,50 29,51 4.078,52 44.028,53 0.998,54 4.926,55 14.959,56 233.582,57 3.172,58 4.595,59 6489,60 17.25,61 92.815,62 83,63 7052,64 4.615,65 0.256,66 0.274,67 4,68 11.061,69 3.19,70 5.547}
{0 CHEMBL12131,6 10.378,13 1,17 4.44,19 5.166,20 5.17,22 3.27,23 3.02,24 6.772,25 5.066,26 13646,27 7.294,28 8,29 1.947,30 64.14,31 3.807,32 44,33 15.639,34 15.639,35 15.639,36 15.639,37 15.639,38 1.048,39 3.645,40 171.46,41 1.91,42 3.419,44 1.881,46 3,47 18,48 3.497,49 3.497,50 32,51 4.174,52 49.806,53 1,54 5.17,55 17.101,56 264.648,57 3.311,59 10910,60 17.75,61 135.43,62 127,63 11030,64 4.879,65 0.313,66 0.336,68 16.348,69 3.48,70 5.149}
{0 CHEMBL1221,6 8.744,13 1,17 4.054,19 4.391,20 4.978,22 2.5,23 2.488,24 6.333,25 4.773,26 5383,27 6.608,28 12,29 1,30 50.277,31 3.57,32 34.5,33 12.837,34 12.837,35 12.837,36 12.837,37 12.837,38 0.577,39 3.356,40 130.141,41 1.485,42 2.701,44 1.789,46 3,47 17,48 3.296,49 3.296,50 26,51 3.97,52 38.527,53 0.532,54 4.907,55 14.176,56 187.7,57 3.273,58 4.443,59 6063,60 15,61 104.437,62 77,63 6227,64 4.556,65 0.299,66 0.319,68 12.147,69 3.183,70 5.307}
{0 CHEMBL1221512,6 7.681,9 1,11 11.429,13 1,14 2,17 4.628,19 0.894,20 5.653,22 2.927,23 2.683,24 6.683,25 5.047,26 6338,27 6.773,28 21,29 2.131,30 62.064,31 3.807,32 44,33 18.082,34 18.082,35 18.082,36 18.082,37 18.082,38 1.268,39 3.536,40 294.575,41 1.666,42 3.109,44 1.969,45 1,46 1,47 6,48 3.638,49 3.638,50 37,51 4.317,52 53.038,53 1.418,54 5.653,55 19.104,56 318.172,57 3.546,59 17900,60 21.75,61 148.554,62 163,63 16939,64 5.181,65 0.244,66 0.249,68 17.602,69 3.507,70 5.504}
{0 CHEMBL122404,1 1,2 1,3 112.845,4 2.568,5 2,6 10.981,7 1.641,8 1,9 1,11 10.802,13 0.2,14 2,15 1,16 3,17 4.393,18 114.249,19 2.781,20 5.294,22 2.829,23 2.757,24 6.851,25 4.938,26 55152,27 8.458,28 13,29 1.461,30 56.157,31 3.638,32 37,33 14.741,34 14.741,35 14.741,36 14.741,37 14.741,38 1.179,39 3.284,40 183.525,41 1.711,42 2.979,43 2,44 1.876,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.738,53 0.873,54 5.294,55 15.302,56 248.928,57 3.295,58 4.844,59 6928,60 17.5,61 99.835,62 84,63 7450,64 4.674,65 0.247,66 0.259,68 11.676,69 3.134,70 7.553}
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{0 CHEMBL123102,1 1,2 1,4 2.443,6 11.957,8 1,9 1,11 5.018,13 1,14 1,16 3,17 4.736,19 4.313,20 5.408,22 3.459,23 3.277,24 7.235,25 5.438,26 68781,27 8.497,28 25,29 2.002,30 95.195,31 4.19,32 65,33 24.058,34 24.058,35 24.058,36 24.058,37 24.058,38 1.684,39 3.723,40 287.726,41 2.404,42 3.518,44 1.986,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 73.697,53 2.536,54 5.336,55 24.567,56 476.832,57 3.739,59 34989,60 28,61 174.789,62 266,63 36927,64 5.469,65 0.223,66 0.234,68 19.347,69 3.83,70 6.252}
{0 CHEMBL123138,1 1,2 1,3 38.061,4 2.283,5 1,6 8.698,8 1,9 1,13 0.333,16 1,17 3.453,18 42.052,19 4.109,20 4.357,22 1.183,23 1.057,24 6.315,25 4.449,26 5049,27 6.583,28 9,29 -0.151,30 35.493,31 3.178,32 23,33 8.866,34 8.866,35 8.866,36 8.866,37 8.866,38 -0.414,39 2.937,40 93.853,41 -0.131,42 1.782,43 1,44 1.585,46 3,47 18,48 2.944,49 2.944,50 18,51 3.611,52 27.706,53 -0.424,54 4.357,55 9.531,56 120.968,57 2.918,58 4.949,59 1682,60 10.5,61 68.961,62 34,63 1670,64 3.98,65 0.344,66 0.368,68 8.463,69 2.431,70 7.553}
{0 CHEMBL123325,1 1,2 1,3 112.845,4 2.568,5 2,6 10.981,7 1.641,8 1,9 1,11 10.802,13 0.2,14 2,15 1,16 3,17 4.393,18 114.249,19 2.781,20 5.294,22 2.829,23 2.757,24 6.851,25 4.938,26 55152,27 8.458,28 13,29 1.461,30 56.157,31 3.638,32 37,33 14.741,34 14.741,35 14.741,36 14.741,37 14.741,38 1.179,39 3.284,40 183.525,41 1.711,42 2.979,43 2,44 1.876,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.738,53 0.873,54 5.294,55 15.302,56 248.928,57 3.295,58 4.844,59 6928,60 17.5,61 99.835,62 84,63 7450,64 4.674,65 0.247,66 0.259,68 11.676,69 3.134,70 8.301}
{0 CHEMBL123349,1 1,2 1,4 2.357,6 6.875,8 1,13 0.5,17 3.393,19 3.721,20 4.282,22 0.859,23 0.035,24 5.771,25 4.103,26 1499,27 5.613,28 10,29 -1.122,30 24.81,31 2.89,32 17,33 6.888,34 6.888,35 6.888,36 6.888,37 6.888,38 -1.164,39 2.91,40 74.818,41 -1.127,42 1.041,44 1.464,46 2,47 13,48 2.708,49 2.708,50 14,51 3.367,52 20.34,54 4.134,55 7.291,56 79.895,57 2.893,58 2.708,59 1007,60 8,61 57.469,62 26,63 957,64 3.681,65 0.277,66 0.288,68 5.963,69 2.422,70 7.699}
{0 CHEMBL123448,1 1,2 1,3 41.876,4 2.4,5 1,6 8.823,8 1,13 0.333,17 3.97,18 46.202,19 5.344,20 4.514,22 1.578,23 1.086,24 6.351,25 4.483,26 5867,27 6.704,28 9,29 0.102,30 36.754,31 3.219,32 24,33 9.303,34 9.303,35 9.303,36 9.303,37 9.303,38 -0.172,39 3.125,40 105.162,41 -0.113,42 1.8,43 1,44 1.733,46 3,47 18,48 2.996,49 2.996,50 19,51 3.664,52 28.809,53 -0.424,54 4.514,55 10.015,56 130.955,57 3.087,58 4.949,59 1979,60 10.5,61 77.467,62 38,63 1957,64 4.064,65 0.28,66 0.295,68 8.555,69 2.509,70 7.456}
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{0 CHEMBL125294,1 1,2 1,4 2.459,6 11.925,8 1,13 1,16 2,17 4.736,19 5.112,20 5.246,22 3.46,23 3.277,24 7.233,25 5.438,26 68781,27 8.497,28 25,29 2.036,30 95.133,31 4.19,32 65,33 24.041,34 24.041,35 24.041,36 24.041,37 24.041,38 1.706,39 3.727,40 289.552,41 2.404,42 3.518,44 1.995,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 73.642,53 2.5,54 5.223,55 24.458,56 474.063,57 3.743,59 35445,60 28,61 176.739,62 269,63 37407,64 5.468,65 0.222,66 0.233,68 19.335,69 3.867,70 6.491}
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{0 CHEMBL14638,6 8.141,9 1,11 5.666,13 1,14 1,17 3.722,19 2.676,20 4.616,21 1,22 2.357,23 2.118,24 6.125,25 4.582,26 4081,27 6.277,28 6,29 0.618,30 40.831,31 3.384,32 28.5,33 10.861,34 10.861,35 10.861,36 10.861,37 10.861,38 0.34,39 3.311,40 133.103,41 0.927,42 2.5,44 1.696,46 3,47 14,48 3.135,49 3.135,50 22,51 3.807,52 32.621,54 4.616,55 11.229,56 136.867,57 3.312,58 5.778,59 4561,60 12.75,61 76.822,62 76,63 4836,64 4.293,65 0.268,66 0.283,67 1,68 8.412,69 3.353,70 7.2}
{0 CHEMBL147077,1 1,2 1,4 2.29,6 10.879,8 1,9 1,11 5.194,13 1,14 1,17 5.008,19 1.508,20 5.491,22 3.377,23 3.144,24 7.191,25 5.361,26 50860,27 8.252,28 23,29 2.154,30 85.286,31 4.094,32 59,33 22.435,34 22.435,35 22.435,36 22.435,37 22.435,38 1.584,39 3.633,40 299.614,41 2.195,42 3.461,44 1.993,46 4,47 24,48 3.85,49 3.85,50 46,51 4.533,52 68.864,53 2.5,54 5.467,55 22.959,56 437.154,57 3.631,59 30719,60 27.25,61 166.694,62 246,63 31658,64 5.401,65 0.236,66 0.246,68 18.309,69 3.841,70 5.649}
{0 CHEMBL1479,3 111.406,5 2,6 9.834,7 2.266,9 1,10 1,13 0.2,15 1,17 4.324,18 109.47,19 2.223,20 5.248,22 2.694,23 2.545,24 7.174,25 4.965,26 45093,27 8.32,28 1,29 1.002,30 52.072,31 3.57,32 34.5,33 14.134,34 14.134,35 14.134,36 14.134,37 14.134,38 0.929,39 3.294,40 170.016,41 1.461,42 2.822,43 2,44 1.788,46 5,47 28,48 3.401,49 3.401,50 29,51 4.078,52 48.237,53 0.78,54 5.248,55 14.258,56 246.786,57 3.276,58 5.476,59 5999,60 15.5,61 98.535,62 76,63 6445,64 4.617,65 0.22,66 0.229,68 11.957,69 3.047,70 4.624}
{0 CHEMBL1491,6 8.968,9 1,11 15.872,13 1,14 3,16 3,17 4.593,19 1.059,20 5.27,22 2.632,23 2.482,24 6.627,25 4.848,26 6922,27 6.89,28 15,29 1.461,30 51.329,31 3.611,32 36,33 14.148,34 14.148,35 14.148,36 14.148,37 14.148,38 0.88,39 3.315,40 204.521,41 1.461,42 2.857,44 1.796,45 1,46 2,47 12,48 3.401,49 3.401,50 29,51 4.078,52 42.11,53 0.881,54 5.27,55 14.962,56 243.925,57 3.326,59 7312,60 17.5,61 108.258,62 84,63 6913,64 4.772,65 0.278,66 0.288,68 11.649,69 2.991,70 5.745}
{0 CHEMBL150161,1 1,2 1,4 2.173,6 8.821,8 1,13 1,17 4.164,19 1.735,20 4.915,21 1,22 2.5,23 2.5,24 6.558,25 4.804,26 9348,27 6.916,28 14,29 1,30 49.833,31 3.555,32 34,33 13.276,34 13.276,35 13.276,36 13.276,37 13.276,38 0.938,39 3.415,40 156.309,41 1.5,42 2.821,44 1.863,46 3,47 17,48 3.332,49 3.332,50 27,51 4.007,52 40.611,53 0.5,54 4.915,55 13.865,56 194.662,57 3.409,58 4.727,59 7668,60 15.25,61 97.726,62 106,63 7910,64 4.616,65 0.276,66 0.289,68 10.934,69 3.572,70 7.405}
{0 CHEMBL15245,1 1,2 1,3 113.369,4 2.588,5 2,6 10.632,8 1,9 1,11 5.042,13 0.2,14 1,17 4.364,18 115.18,19 2.755,20 5.378,22 2.862,23 2.642,24 6.853,25 4.916,26 55192,27 8.458,28 13,29 1.454,30 54.818,31 3.611,32 36,33 14.747,34 14.747,35 14.747,36 14.747,37 14.747,38 1.174,39 3.236,40 185.229,41 1.655,42 3.005,43 2,44 1.908,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.483,53 0.831,54 5.378,55 15.184,56 248.97,57 3.255,58 4.844,59 6932,60 17.25,61 99.63,62 84,63 7458,64 4.675,65 0.243,66 0.254,68 11.686,69 3.131,70 8.463}
{0 CHEMBL155866,6 7.12,9 1,11 5.967,13 1,14 1,17 3.078,19 3.322,20 4.139,22 1.422,23 1,24 5.974,25 4.311,26 1688,27 5.707,28 8,29 -0.38,30 30.907,31 3.091,32 21,33 8.356,34 8.356,35 8.356,36 8.356,37 8.356,38 -0.745,39 3.125,40 106.161,41 -0.445,42 1.71,44 1.681,45 1,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 25.104,53 -0.5,54 4.139,55 8.773,56 103.716,57 3.101,58 4.443,59 1910,60 10,61 64.96,62 40,63 1858,64 3.978,65 0.266,66 0.276,67 1,68 6.807,69 2.751,70 6.6}
{0 CHEMBL156336,6 7.115,9 1,11 5.927,13 1,14 1,17 3.5,19 2.21,20 4.631,22 1.64,23 1.007,24 5.872,25 4.284,26 1714,27 5.704,28 9,29 -0.616,30 30.106,31 3.091,32 21,33 8.326,34 8.326,35 8.326,36 8.326,37 8.326,38 -0.787,39 3.178,40 106.868,41 -0.204,42 1.734,44 1.681,45 1,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.609,53 -0.5,54 4.631,55 8.75,56 101.916,57 3.168,58 4.443,59 1955,60 10,61 64.52,62 41,63 1910,64 3.976,65 0.266,66 0.276,67 1,68 6.47,69 2.801,70 6.54}
{0 CHEMBL157138,1 1,2 1,3 138.67,4 4.202,5 2,6 10.43,7 2.275,8 2,10 1,13 0.25,15 1,17 4.404,18 148.011,19 2.698,20 4.961,22 2.663,23 2.595,24 6.725,25 4.864,26 26821,27 7.878,28 15,29 0.919,30 52.447,31 3.584,32 35,33 13.686,34 13.686,35 13.686,36 13.686,37 13.686,38 0.812,39 3.346,40 181.464,41 1.532,42 2.883,43 2,44 1.887,46 4,47 23,48 3.367,49 3.367,50 28,51 4.043,52 43.094,53 0.781,54 4.961,55 14.19,56 222.719,57 3.338,58 4.727,59 6363,60 16.75,61 101.811,62 83,63 6587,64 4.616,65 0.24,66 0.251,68 10.937,69 3.145,70 8.366}
{0 CHEMBL157206,6 7.814,7 3.797,9 1,10 2,11 6.177,13 1,14 1,15 2,17 3.422,19 3.255,20 4.47,22 2.045,23 1.72,24 6.116,25 4.527,26 2994,27 6.146,28 14,29 0.593,30 37.341,31 3.332,32 27,33 10.307,34 10.307,35 10.307,36 10.307,37 10.307,38 0.209,39 3.319,40 142.174,41 0.656,42 2.599,44 1.734,45 1,46 2,47 11,48 3.091,49 3.091,50 21,51 3.761,52 30.473,53 -0.177,54 4.47,55 10.721,56 141.69,57 3.301,58 4.443,59 3392,60 12,61 83.453,62 54,63 3278,64 4.292,65 0.241,66 0.251,67 1,68 7.95,69 2.92,70 6.89}
{0 CHEMBL157955,6 7.399,9 1,11 6.149,13 1,14 1,17 3.35,19 3.603,20 4.265,22 1.655,23 1.576,24 6.071,25 4.388,26 2284,27 5.943,28 8,29 0.071,30 33.168,31 3.178,32 23,33 9.231,34 9.231,35 9.231,36 9.231,37 9.231,38 -0.143,39 3.178,40 119.554,41 0.452,42 1.867,44 1.702,45 1,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 27.432,53 -0.388,54 4.265,55 9.645,56 123.064,57 3.168,58 4.443,59 2552,60 11,61 74.162,62 46,63 2468,64 4.144,65 0.247,66 0.254,67 1,68 7.189,69 2.798,70 6.56}
{0 CHEMBL162058,1 1,2 1,3 209.26,4 3.925,5 2,6 12.145,7 3.379,8 2,9 1,10 1,11 10.695,13 0.4,14 2,15 2,16 4,17 4.89,18 130.45,19 2.353,20 5.374,22 3.156,23 3.006,24 6.919,25 5.109,26 66307,27 8.505,28 17,29 1.695,30 66.9,31 3.829,32 45,33 17.141,34 17.141,35 17.141,36 17.141,37 17.141,38 1.395,39 3.486,40 210.991,41 2.013,42 3.286,43 1,44 1.948,45 2,46 5,47 29,48 3.584,49 3.584,50 35,51 4.263,52 53.769,53 1.592,54 5.267,55 17.892,56 295.366,57 3.488,58 4.844,59 12796,60 21.25,61 121.158,62 135,63 13831,64 4.929,65 0.251,66 0.265,68 13.592,69 3.577,70 7.24}
{0 CHEMBL162147,1 1,2 1,3 218.203,4 3.128,5 2,6 12.224,7 1.563,8 2,9 1,10 1,13 0.4,15 2,16 2,17 4.351,18 135.399,19 2.138,20 5.29,22 3.159,23 3.074,24 7.052,25 5.162,26 71570,27 8.571,28 11,29 1.933,30 70.003,31 3.85,32 46,33 17.757,34 17.757,35 17.757,36 17.757,37 17.757,38 1.395,39 3.501,40 206.923,41 2.104,42 3.295,43 1,44 1.947,46 5,47 29,48 3.611,49 3.611,50 36,51 4.29,52 57.293,53 1.664,54 5.29,55 18.862,56 311.978,57 3.501,58 4.844,59 13651,60 21.75,61 117.802,62 139,63 14690,64 4.976,65 0.303,66 0.322,68 13.613,69 3.527,70 8.44}
{0 CHEMBL162232,1 1,2 1,3 186.264,4 4.16,5 2,6 12.024,7 4.007,8 2,9 1,10 2,13 0.4,15 2,16 2,17 4.582,18 118.646,19 2.403,20 5.306,22 3.155,23 3.085,24 6.884,25 5.072,26 55697,27 8.357,28 12,29 1.602,30 64.498,31 3.784,32 43,33 16.288,34 16.288,35 16.288,36 16.288,37 16.288,38 1.397,39 3.504,40 193.789,41 2.119,42 3.278,43 1,44 1.951,46 5,47 29,48 3.526,49 3.526,50 33,51 4.205,52 51.5,53 1.228,54 5.306,55 16.695,56 272.259,57 3.5,58 4.844,59 10642,60 19.25,61 117.971,62 120,63 11609,64 4.835,65 0.237,66 0.251,68 13.252,69 3.468,70 9.07}
{0 CHEMBL162370,1 1,2 1,3 177.038,4 4.087,5 2,6 11.927,7 5.767,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.522,18 114.195,19 2.402,20 5.29,22 3.156,23 2.853,24 6.819,25 5.04,26 50746,27 8.275,28 12,29 1.462,30 62.653,31 3.761,32 42,33 15.798,34 15.798,35 15.798,36 15.798,37 15.798,38 1.15,39 3.5,40 187.642,41 2.008,42 3.284,43 1,44 1.949,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 50.129,53 1.221,54 5.29,55 16.192,56 258.049,57 3.495,58 4.844,59 9794,60 18.75,61 112.153,62 114,63 10746,64 4.785,65 0.242,66 0.257,68 12.703,69 3.437,70 8.889}
{0 CHEMBL162436,1 1,2 1,3 209.035,4 4.095,5 2,6 12.995,7 7.516,8 2,9 1,10 3,13 0.5,15 4,16 2,17 4.718,18 139.758,19 3.554,20 5.513,22 3.157,23 3.013,24 6.913,25 5.204,26 96101,27 8.769,28 18,29 1.642,30 74.977,31 3.951,32 51,33 18.825,34 18.825,35 18.825,36 18.825,37 18.825,38 1.422,39 3.575,40 209.353,41 2.072,42 3.292,43 1,44 1.961,46 6,47 35,48 3.664,49 3.664,50 38,51 4.344,52 58.486,53 2.121,54 5.513,55 19.222,56 326.713,57 3.572,58 4.844,59 15073,60 21.75,61 132.49,62 138,63 16818,64 5.019,65 0.227,66 0.242,68 14.591,69 3.522,70 8.57}
{0 CHEMBL162490,1 1,2 1,3 185.715,4 3.975,5 2,6 12.042,7 5.381,8 2,9 1,10 2,11 5.354,13 0.4,14 1,15 3,16 2,17 4.72,18 118.571,19 2.375,20 5.325,22 3.107,23 2.878,24 6.855,25 5.059,26 56008,27 8.357,28 15,29 1.476,30 63.815,31 3.784,32 43,33 16.22,34 16.22,35 16.22,36 16.22,37 16.22,38 1.327,39 3.482,40 198.771,41 2.006,42 3.162,43 1,44 1.947,45 2,46 5,47 29,48 3.526,49 3.526,50 33,51 4.205,52 51.032,53 1.469,54 5.325,55 16.794,56 270.691,57 3.479,58 4.844,59 10720,60 19.75,61 114.514,62 121,63 11697,64 4.834,65 0.251,66 0.266,68 12.787,69 3.491,70 9.15}
{0 CHEMBL162501,1 1,2 1,3 166.778,4 4.045,5 2,6 11.842,7 7.43,8 2,9 1,10 3,13 0.4,15 4,16 2,17 4.607,18 109.109,19 2.401,20 5.278,22 3.004,23 2.853,24 6.77,25 5.007,26 45813,27 8.186,28 13,29 1.43,30 60.677,31 3.738,32 41,33 15.315,34 15.315,35 15.315,36 15.315,37 15.315,38 1.123,39 3.48,40 179.218,41 1.997,42 3.157,43 1,44 1.946,46 5,47 29,48 3.466,49 3.466,50 31,51 4.143,52 48.342,53 1.202,54 5.278,55 15.717,56 245.302,57 3.473,58 4.844,59 8935,60 18.25,61 107.871,62 107,63 9867,64 4.733,65 0.248,66 0.265,68 12.069,69 3.409,70 8.77}
{0 CHEMBL1626,1 1,2 1,4 2.45,6 8.222,8 1,11 6.482,13 1,14 1,16 1,17 4.252,19 3.062,20 4.934,22 2.5,23 2.446,24 6.544,25 4.736,26 5058,27 6.575,28 17,29 1,30 47.128,31 3.497,32 32,33 12.791,34 12.791,35 12.791,36 12.791,37 12.791,38 1,39 3.302,40 148.892,41 1.439,42 2.5,44 1.879,46 3,47 17,48 3.296,49 3.296,50 26,51 3.97,52 39.033,53 0.5,54 4.934,55 13.444,56 192.227,57 3.302,58 4.595,59 5881,60 14.5,61 101.445,62 74,63 6027,64 4.555,65 0.231,66 0.24,68 10.766,69 3.115,70 7.438}
{0 CHEMBL162682,1 1,2 1,3 177.038,4 4.078,5 2,6 11.927,7 5.733,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.522,18 114.195,19 2.4,20 5.278,22 3.156,23 2.853,24 6.819,25 5.04,26 50746,27 8.275,28 12,29 1.462,30 62.653,31 3.761,32 42,33 15.798,34 15.798,35 15.798,36 15.798,37 15.798,38 1.133,39 3.525,40 186.321,41 2.008,42 3.284,43 1,44 1.943,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 50.129,53 1.221,54 5.278,55 16.657,56 258.049,57 3.49,58 4.844,59 9794,60 18.75,61 120.19,62 114,63 10746,64 4.785,65 0.269,66 0.286,68 13.927,69 3.437,70 9.21}
{0 CHEMBL1627,1 1,2 1,4 2.355,6 9.469,8 1,13 1,17 4.196,19 3.572,20 4.832,22 2.945,23 2.781,24 6.991,25 5.103,26 16333,27 7.473,28 23,29 1.174,30 67.186,31 3.85,32 46,33 17.614,34 17.614,35 17.614,36 17.614,37 17.614,38 1.076,39 3.615,40 204.526,41 1.908,42 3.033,44 1.905,46 4,47 24,48 3.611,49 3.611,50 36,51 4.29,52 54.308,53 1.649,54 4.832,55 18.166,56 313.837,57 3.612,59 13942,60 20,61 134.542,62 137,63 14556,64 5.016,65 0.229,66 0.239,68 14.593,69 3.449,70 8.62}
{0 CHEMBL1628227,1 1,2 1,4 2.21,6 9.759,7 2.34,8 1,9 1,10 1,11 5.981,13 0.333,14 1,15 1,17 3.63,19 4.719,20 4.833,22 2.598,23 1.986,24 6.293,25 4.644,26 9194,27 6.966,28 19,29 0.625,30 43.803,31 3.434,32 30,33 11.386,34 11.386,35 11.386,36 11.386,37 11.386,38 0.434,39 3.221,40 126.928,41 0.908,42 2.736,44 1.876,46 3,47 19,48 3.178,49 3.178,50 23,51 3.85,52 34.27,53 0.336,54 4.785,55 11.738,56 164.766,57 3.218,58 2.708,59 3832,60 12.75,61 89.069,62 56,63 3867,64 4.36,65 0.225,66 0.236,67 1,68 8.983,69 2.871,70 5.988}
{0 CHEMBL162826,1 1,2 1,3 176.055,4 3.788,5 2,6 11.947,7 4.847,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.593,18 113.559,19 2.341,20 5.314,22 3.084,23 2.854,24 6.834,25 5.04,26 50744,27 8.275,28 12,29 1.475,30 62.701,31 3.761,32 42,33 15.782,34 15.782,35 15.782,36 15.782,37 15.782,38 1.303,39 3.48,40 193.364,41 2.006,42 3.16,43 1,44 1.946,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 49.979,53 1.204,54 5.314,55 16.249,56 258.81,57 3.475,58 4.844,59 9769,60 19,61 109.476,62 114,63 10718,64 4.785,65 0.257,66 0.274,68 12.596,69 3.431,70 8.79}
{0 CHEMBL1630578,1 1,2 1,3 144.895,4 9.604,5 1,6 12.42,7 8.305,8 4,10 4,13 0.625,15 4,16 5,17 4.784,18 346.26,19 3.02,20 5.755,22 3.415,23 3.279,24 7.495,25 5.474,26 482338,27 10.13,28 23,29 2.265,30 92.012,31 4.127,32 61,33 26.141,34 26.141,35 26.141,36 26.141,37 26.141,38 1.919,39 3.639,40 308.547,41 2.345,42 3.686,43 2,44 1.951,45 2,46 8,47 45,48 3.989,49 3.989,50 53,51 4.673,52 83.099,53 2.522,54 5.653,55 26.945,56 534.027,57 3.635,58 5.733,59 39072,60 31,61 190.65,62 276,63 43878,64 5.497,65 0.202,66 0.208,68 21.39,69 3.926,70 5.521}
{0 CHEMBL163190,1 1,2 1,3 175.634,4 4.135,5 2,6 11.947,7 5.781,8 2,9 1,10 3,13 0.4,15 3,16 2,17 4.522,18 113.559,19 2.402,20 5.29,22 3.154,23 2.854,24 6.836,25 5.04,26 50744,27 8.275,28 13,29 1.433,30 62.551,31 3.761,32 42,33 15.788,34 15.788,35 15.788,36 15.788,37 15.788,38 1.281,39 3.493,40 186.887,41 2.008,42 3.194,43 1,44 1.949,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 49.903,53 1.202,54 5.29,55 16.199,56 259.299,57 3.488,58 4.844,59 9703,60 18.75,61 113.689,62 113,63 10646,64 4.786,65 0.242,66 0.257,68 12.606,69 3.41,70 8.971}
{0 CHEMBL1632158,1 1,2 1,3 249.739,4 2.502,5 2,6 10.133,8 1,9 2,11 10.594,13 0.5,14 2,16 2,17 4.289,19 1.404,20 5.428,22 2.872,23 2.617,24 6.715,25 5.001,26 38352,27 7.993,28 19,29 1.461,30 61.274,31 3.761,32 42,33 17.236,34 17.236,35 17.236,36 17.236,37 17.236,38 1.285,39 3.488,40 212.102,41 1.612,42 3.028,44 1.939,46 4,47 23,48 3.584,49 3.584,50 35,51 4.263,52 51.48,53 1.651,54 5.428,55 17.937,56 278.778,57 3.488,58 4.949,59 15726,60 21,61 123.909,62 169,63 16431,64 4.964,65 0.234,66 0.241,67 1,68 13.394,69 3.776,70 5}
{0 CHEMBL1632174,1 1,2 1,3 236.735,4 2.463,5 2,6 10.084,8 1,9 1,11 5.897,13 0.5,14 1,16 2,17 4.091,19 1.386,20 5.406,22 2.872,23 2.606,24 6.696,25 4.98,26 35241,27 7.936,28 16,29 1.399,30 60.276,31 3.738,32 41,33 16.825,34 16.825,35 16.825,36 16.825,37 16.825,38 1.285,39 3.488,40 210.499,41 1.597,42 3.028,44 1.939,46 4,47 23,48 3.555,49 3.555,50 34,51 4.234,52 50.493,53 1.643,54 5.406,55 17.42,56 269.115,57 3.488,58 4.949,59 14186,60 20.25,61 119.14,62 156,63 14836,64 4.918,65 0.238,66 0.247,67 1,68 13.275,69 3.707,70 5}
{0 CHEMBL163247,1 1,2 1,3 186.316,4 3.813,5 2,6 12.024,7 3.177,8 2,9 1,10 1,13 0.4,15 2,16 2,17 4.651,18 118.646,19 2.339,20 5.278,22 3.157,23 2.978,24 6.882,25 5.072,26 55697,27 8.357,28 11,29 1.686,30 64.812,31 3.784,32 43,33 16.282,34 16.282,35 16.282,36 16.282,37 16.282,38 1.316,39 3.493,40 188.463,41 2.011,42 3.285,43 1,44 1.942,46 5,47 29,48 3.526,49 3.526,50 33,51 4.205,52 51.753,53 1.221,54 5.278,55 17.177,56 272.136,57 3.486,58 4.844,59 10642,60 19.75,61 117.303,62 120,63 11609,64 4.836,65 0.282,66 0.3,68 14.021,69 3.441,70 8.87}
{0 CHEMBL1643902,1 1,2 1,3 64.568,4 2.663,5 1,6 9.378,8 1,13 0.333,17 3.88,18 207.514,19 1.051,20 5.246,22 2.665,23 2.122,24 6.965,25 4.816,26 49851,27 8.418,28 10,29 0.769,30 48.171,31 3.434,32 30,33 13.393,34 13.393,35 13.393,36 13.393,37 13.393,38 0.768,39 3.16,40 125.645,41 1.115,42 2.84,43 3,44 1.84,46 6,47 30,48 3.332,49 3.332,50 27,51 4.007,52 43.784,53 0.489,54 5.116,55 13.672,56 204.038,57 3.141,58 6.425,59 5218,60 14.5,61 85.809,62 70,63 5963,64 4.435,65 0.218,66 0.227,68 10.072,69 3.019,70 5.684}
{0 CHEMBL164612,1 1,2 1,3 173.142,4 3.999,5 2,6 11.965,7 7.395,8 2,9 1,10 3,13 0.4,15 4,16 2,17 4.522,18 114.672,19 2.904,20 5.278,22 3.005,23 2.881,24 6.834,25 5.04,26 51576,27 8.29,28 12,29 1.471,30 62.626,31 3.761,32 42,33 15.782,34 15.782,35 15.782,36 15.782,37 15.782,38 1.133,39 3.485,40 186.811,41 2.001,42 3.268,43 1,44 1.936,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 50.038,53 1.235,54 5.278,55 16.418,56 258.801,57 3.477,58 4.844,59 9766,60 19,61 112.676,62 114,63 10704,64 4.785,65 0.269,66 0.286,68 12.967,69 3.429,70 8.65}
{0 CHEMBL165181,1 1,2 1,3 166.778,4 4.128,5 2,6 11.842,7 7.477,8 2,10 3,13 0.4,15 4,16 1,17 4.607,18 109.109,19 3.003,20 5.278,22 3.004,23 2.853,24 6.77,25 5.007,26 45813,27 8.186,28 13,29 1.43,30 60.677,31 3.738,32 41,33 15.315,34 15.315,35 15.315,36 15.315,37 15.315,38 1.12,39 3.487,40 179.218,41 1.997,42 3.157,43 1,44 1.897,46 5,47 29,48 3.466,49 3.466,50 31,51 4.143,52 48.342,53 1.202,54 5.278,55 16.027,56 245.302,57 3.475,58 4.844,59 8935,60 17.75,61 114.314,62 107,63 9867,64 4.733,65 0.255,66 0.272,68 12.711,69 3.409,70 7.85}
{0 CHEMBL165350,1 1,2 1,3 177.038,4 4.031,5 2,6 11.927,7 5.554,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.522,18 114.195,19 2.391,20 5.278,22 3.156,23 2.853,24 6.819,25 5.04,26 50746,27 8.275,28 12,29 1.463,30 62.653,31 3.761,32 42,33 15.798,34 15.798,35 15.798,36 15.798,37 15.798,38 1.141,39 3.497,40 186.321,41 2.008,42 3.284,43 1,44 1.944,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 50.129,53 1.221,54 5.278,55 16.527,56 258.049,57 3.485,58 4.844,59 9794,60 18.75,61 115.405,62 114,63 10746,64 4.785,65 0.269,66 0.286,68 13.519,69 3.437,70 9.16}
{0 CHEMBL165677,1 1,2 1,3 174.332,4 3.999,5 2,6 11.946,7 7.395,8 2,9 1,10 3,13 0.4,15 4,16 2,17 4.522,18 114.961,19 2.991,20 5.278,22 3.12,23 3.003,24 6.819,25 5.04,26 51580,27 8.29,28 12,29 1.481,30 62.618,31 3.761,32 42,33 15.798,34 15.798,35 15.798,36 15.798,37 15.798,38 1.125,39 3.487,40 186.811,41 2.006,42 3.205,43 1,44 1.94,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 50.056,53 1.239,54 5.278,55 16.468,56 258.1,57 3.48,58 4.844,59 9788,60 19,61 112.676,62 114,63 10730,64 4.785,65 0.269,66 0.286,68 13.111,69 3.436,70 7.56}
{0 CHEMBL165776,1 1,2 1,3 181.688,4 4.11,5 2,6 11.848,7 7.448,8 2,9 1,10 3,13 0.4,15 4,16 2,17 4.522,18 118.583,19 2.454,20 5.344,22 3.008,23 2.854,24 6.779,25 5.027,26 49516,27 8.217,28 13,29 1.434,30 62.139,31 3.761,32 42,33 15.815,34 15.815,35 15.815,36 15.815,37 15.815,38 1.275,39 3.502,40 189.935,41 2.004,42 3.159,43 1,44 1.954,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 49.659,53 1.439,54 5.344,55 16.22,56 252.842,57 3.496,58 4.844,59 10289,60 18.75,61 112.472,62 121,63 11370,64 4.786,65 0.242,66 0.257,68 12.422,69 3.504,70 8.18}
{0 CHEMBL165796,1 1,2 1,3 177.407,4 4.07,5 2,6 11.927,7 5.73,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.593,18 114.195,19 2.402,20 5.29,22 3.155,23 2.853,24 6.819,25 5.04,26 50746,27 8.275,28 12,29 1.484,30 62.556,31 3.761,32 42,33 15.798,34 15.798,35 15.798,36 15.798,37 15.798,38 1.14,39 3.5,40 187.642,41 2.007,42 3.277,43 1,44 1.949,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 49.945,53 1.225,54 5.29,55 16.195,56 257.684,57 3.496,58 4.844,59 9860,60 18.75,61 112.153,62 115,63 10818,64 4.784,65 0.242,66 0.257,68 12.703,69 3.473,70 8.921}
{0 CHEMBL1672288,6 8.995,13 1,17 3.852,19 -0.256,20 4.392,22 2.189,23 0.975,24 5.922,25 4.572,26 2213,27 5.883,28 3,29 0.122,30 37.519,31 3.35,32 27.5,33 8.843,34 8.843,35 8.843,36 8.843,37 8.843,38 -0.473,39 2.956,40 73.484,41 -0.49,42 2.71,44 1.301,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 28.918,53 -0.331,54 4.392,55 9.608,56 109.303,57 2.972,58 4.595,59 2435,60 10.25,61 62.883,62 49,63 2381,64 4.062,65 0.356,66 0.404,68 6.533,69 3.005,70 5}
{0 CHEMBL1689423,1 1,2 1,4 4.881,6 11.227,8 2,13 0.75,17 4.307,18 126.813,19 6.341,20 5.181,22 2.654,23 2.547,24 6.737,25 4.965,26 25887,27 7.758,28 17,29 1.245,30 59.842,31 3.701,32 39.5,33 15.244,34 15.244,35 15.244,36 15.244,37 15.244,38 1.106,39 3.503,40 186.451,41 1.563,42 3.317,43 1,44 1.9,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.154,53 1.017,54 5.181,55 16.066,56 247.971,57 3.492,59 9581,60 18.25,61 117.8,62 115,63 10077,64 4.78,65 0.233,66 0.244,68 13.031,69 3.455,70 7.959}
{0 CHEMBL17157,1 1,2 1,4 2.488,6 9.712,8 1,13 1,17 4.193,19 4.255,20 4.863,22 2.875,23 2.781,24 6.997,25 5.133,26 23954,27 7.676,28 21,29 1.38,30 69.981,31 3.871,32 47,33 18.725,34 18.725,35 18.725,36 18.725,37 18.725,38 1.317,39 3.677,40 222.63,41 1.908,42 3.115,44 1.964,46 4,47 24,48 3.664,49 3.664,50 38,51 4.344,52 58.19,53 2,54 4.863,55 19.05,56 322.651,57 3.672,59 18980,60 20.25,61 146.065,62 189,63 19858,64 5.101,65 0.19,66 0.196,68 15.639,69 3.735,70 5.426}
{0 CHEMBL1729,1 1,2 1,4 2.283,6 9.293,8 1,9 2,11 16.596,13 1,14 3,16 2,17 4.625,19 1.735,20 5.414,22 2.814,23 2.521,24 6.661,25 4.977,26 18224,27 7.416,28 22,29 1.699,30 59.421,31 3.738,32 41,33 16.615,34 16.615,35 16.615,36 16.615,37 16.615,38 1.227,39 3.397,40 226.807,41 1.507,42 3.212,44 1.966,45 1,46 3,47 18,48 3.555,49 3.555,50 34,51 4.234,52 49.47,53 1.252,54 5.414,55 17.802,56 270.44,57 3.392,59 14948,60 20.75,61 122.437,62 162,63 15284,64 4.968,65 0.278,66 0.288,67 2,68 13.238,69 3.788,70 6.528}
{0 CHEMBL1732,1 1,2 1,3 557.483,4 5.127,5 4,6 13.06,8 3,11 6.249,13 0.375,14 1,16 2,17 5.037,18 283.399,19 3.437,20 5.928,22 3.529,23 3.45,24 7.532,25 5.472,26 532843,27 10.254,28 18,29 2.552,30 93.61,31 4.127,32 61,33 24.661,34 24.661,35 24.661,36 24.661,37 24.661,38 1.889,39 3.685,40 306.109,41 2.547,42 3.727,43 2,44 1.938,45 4,46 8,47 45,48 3.932,49 3.932,50 50,51 4.615,52 79.992,53 2.507,54 5.928,55 25.302,56 518.236,57 3.693,58 5.9,59 28585,60 29.75,61 159.468,62 205,63 32205,64 5.401,65 0.233,66 0.244,68 20.338,69 3.67,70 8.411}
{0 CHEMBL175853,1 2,2 2,3 135.812,4 4.976,5 1,6 11.78,7 2.269,8 2,9 3,10 1,11 22.018,12 1,13 0.6,14 4,15 1,16 4,17 4.837,18 152.239,19 3.231,20 5.449,21 1,22 3.146,23 3.01,24 6.853,25 5.165,26 95451,27 8.746,28 29,29 2.175,30 71.333,31 3.912,32 49,33 19.784,34 19.784,35 19.784,36 19.784,37 19.784,38 1.391,39 3.539,40 241.31,41 2.08,42 3.326,43 1,44 1.976,45 4,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 59.641,53 2,54 5.449,55 20.82,56 335.291,57 3.547,58 4.727,59 22109,60 24,61 138.145,62 206,63 23627,64 5.132,65 0.237,66 0.247,67 1,68 15.678,69 4.023,70 9.699}
{0 CHEMBL175911,1 2,2 2,3 134.851,4 5.002,5 1,6 11.897,7 2.276,8 2,9 3,10 1,11 17.485,12 1,13 0.667,14 3,15 1,16 4,17 4.781,18 150.964,19 3.44,20 5.402,21 1,22 3.159,23 3.01,24 6.938,25 5.204,26 111002,27 8.869,28 24,29 2.259,30 73.597,31 3.932,32 50,33 20.297,34 20.297,35 20.297,36 20.297,37 20.297,38 1.489,39 3.665,40 237.31,41 2.082,42 3.405,43 1,44 1.976,45 2,46 6,47 32,48 3.738,49 3.738,50 41,51 4.419,52 62.124,53 2,54 5.402,55 21.14,56 343.958,57 3.673,58 5.861,59 22754,60 24,61 138.94,62 205,63 25203,64 5.134,65 0.23,66 0.241,67 1,68 16.099,69 3.987,70 9.523}
{0 CHEMBL176002,1 2,2 2,3 114.841,4 5.037,5 1,6 11.408,7 2.286,8 2,9 3,10 1,11 17.232,12 1,13 0.6,14 3,15 1,16 4,17 4.563,18 131.331,19 3.92,20 5.287,21 1,22 3.01,23 2.797,24 6.777,25 5.063,26 65581,27 8.444,28 27,29 1.737,30 64.807,31 3.807,32 44,33 17.763,34 17.763,35 17.763,36 17.763,37 17.763,38 1.302,39 3.536,40 206.322,41 1.884,42 3.158,43 1,44 1.976,45 2,46 5,47 29,48 3.611,49 3.611,50 36,51 4.29,52 53.988,53 1.593,54 5.287,55 18.644,56 290.759,57 3.542,58 4.727,59 15828,60 21.25,61 126.872,62 165,63 17191,64 4.967,65 0.233,66 0.242,67 2,68 13.957,69 3.842,70 9.699}
{0 CHEMBL176116,1 2,2 2,3 124.923,4 4.985,5 1,6 11.647,7 2.272,8 2,9 3,10 1,11 17.045,12 1,13 0.6,14 3,15 1,16 4,17 4.595,18 141.293,19 3.338,20 5.353,21 1,22 3.137,23 3.01,24 6.825,25 5.13,26 79901,27 8.606,28 24,29 2.175,30 68.905,31 3.871,32 47,33 18.835,34 18.835,35 18.835,36 18.835,37 18.835,38 1.39,39 3.539,40 221.207,41 2.08,42 3.28,43 1,44 1.976,45 2,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 57.199,53 1.798,54 5.353,55 19.686,56 313.555,57 3.546,58 4.727,59 18748,60 22.5,61 131.541,62 185,63 20177,64 5.052,65 0.237,66 0.247,67 1,68 15.178,69 3.917,70 9.699}
{0 CHEMBL176261,1 3,2 3,3 136.337,4 7.155,5 1,6 11.716,7 2.289,8 3,9 3,10 1,11 17.967,12 1,13 0.6,14 3,15 1,16 4,17 4.781,18 152.88,19 3.965,20 5.395,21 1,22 3.153,23 3.01,24 6.841,25 5.147,26 96261,27 8.746,28 34,29 2.176,30 70.422,31 3.892,32 48,33 19.819,34 19.819,35 19.819,36 19.819,37 19.819,38 1.391,39 3.543,40 235.824,41 2.081,42 3.212,43 1,44 1.977,45 3,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 59.783,53 2,54 5.395,55 20.898,56 333.245,57 3.55,58 4.727,59 22368,60 24,61 144.891,62 208,63 23907,64 5.131,65 0.224,66 0.232,67 2,68 15.873,69 4.027,70 10}
{0 CHEMBL178588,1 2,2 2,3 140.891,4 4.993,5 1,6 11.84,7 2.274,8 2,9 3,10 1,11 17.54,12 1,13 0.6,14 3,15 1,16 4,17 4.608,18 157.264,19 3.344,20 5.236,21 1,22 3.161,23 3.01,24 6.999,25 5.215,26 102617,27 8.81,28 24,29 2.293,30 74.136,31 3.932,32 50,33 20.276,34 20.276,35 20.276,36 20.276,37 20.276,38 1.397,39 3.636,40 250,41 2.082,42 3.415,43 1,44 1.977,45 2,46 5,47 29,48 3.738,49 3.738,50 41,51 4.419,52 62.744,53 2,54 5.236,55 21.117,56 351.203,57 3.636,58 4.727,59 23593,60 24,61 145.244,62 215,63 25130,64 5.174,65 0.224,66 0.232,67 1,68 17.051,69 3.987,70 8.796}
{0 CHEMBL17860,6 7.12,9 1,11 5.703,13 1,14 1,17 3.078,19 1.533,20 4.209,22 1.422,23 1,24 5.974,25 4.311,26 1688,27 5.707,28 8,29 -0.222,30 30.907,31 3.091,32 21,33 8.356,34 8.356,35 8.356,36 8.356,37 8.356,38 -0.573,39 2.849,40 97.096,41 -0.445,42 1.71,44 1.681,45 1,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 25.104,53 -0.5,54 4.209,55 9.265,56 103.716,57 2.815,58 4.443,59 1910,60 10.5,61 64.488,62 40,63 1858,64 3.978,65 0.351,66 0.368,67 1,68 7.548,69 2.751,70 7.16}
{0 CHEMBL179237,1 2,2 2,3 154.939,4 5.036,5 1,6 11.897,7 2.285,8 2,9 3,10 1,11 28.741,12 1,13 0.6,14 5,15 1,16 4,17 4.978,18 172.096,19 3.834,20 5.653,21 1,22 3.01,23 2.88,24 6.841,25 5.187,26 124297,27 8.926,28 34,29 2.177,30 73.67,31 3.951,32 51,33 21.301,34 21.301,35 21.301,36 21.301,37 21.301,38 1.393,39 3.54,40 256.106,41 1.89,42 3.161,43 1,44 1.976,45 4,46 5,47 29,48 3.784,49 3.784,50 43,51 4.466,52 62.817,53 2.069,54 5.603,55 22.723,56 360.547,57 3.547,58 4.727,59 29100,60 25.75,61 153.707,62 251,63 30876,64 5.241,65 0.223,66 0.23,67 2,68 16.459,69 4.216,70 9.699}
{0 CHEMBL179648,1 2,2 2,4 5.128,6 9.394,8 2,9 1,11 6.202,13 0.75,14 1,17 4.252,18 111.266,19 3.871,20 4.924,22 2.762,23 2.5,24 6.333,25 4.745,26 16810,27 7.356,28 22,29 1,30 48.04,31 3.526,32 33,33 13.404,34 13.404,35 13.404,36 13.404,37 13.404,38 0.965,39 3.395,40 140.038,41 1.5,42 2.842,43 1,44 1.928,45 2,46 4,47 24,48 3.332,49 3.332,50 27,51 4.007,52 39.745,53 0.688,54 4.869,55 13.966,56 189.651,57 3.386,59 7163,60 15.5,61 98.783,62 98,63 7797,64 4.556,65 0.224,66 0.233,67 1,68 10.346,69 3.506,70 7.692}
{0 CHEMBL180322,1 2,2 2,3 130.246,4 4.975,5 1,6 11.78,7 3.406,8 2,9 3,10 2,11 17.088,12 1,13 0.6,14 3,15 2,16 4,17 4.786,18 146.617,19 3.233,20 5.427,21 1,22 3.148,23 3.01,24 6.843,25 5.165,26 87471,27 8.679,28 27,29 2.175,30 70.637,31 3.912,32 49,33 19.246,34 19.246,35 19.246,36 19.246,37 19.246,38 1.391,39 3.543,40 231.59,41 2.081,42 3.342,43 1,44 1.976,45 2,46 5,47 29,48 3.689,49 3.689,50 39,51 4.369,52 58.765,53 2,54 5.427,55 20.092,56 324.673,57 3.553,58 4.727,59 20355,60 23,61 136.264,62 195,63 21824,64 5.093,65 0.235,66 0.246,67 1,68 15.298,69 3.971,70 9.301}
{0 CHEMBL180470,1 2,2 2,3 110.127,4 4.997,5 1,6 11.314,7 2.276,8 2,9 2,10 1,11 11.722,12 1,13 0.6,14 2,15 1,16 3,17 4.632,18 126.746,19 3.091,20 5.261,21 1,22 3.01,23 2.796,24 6.756,25 5.043,26 58829,27 8.353,28 24,29 1.709,30 63.548,31 3.784,32 43,33 17.335,34 17.335,35 17.335,36 17.335,37 17.335,38 1.297,39 3.533,40 203.564,41 1.883,42 3.15,43 1,44 1.975,45 2,46 5,47 29,48 3.584,49 3.584,50 35,51 4.263,52 52.804,53 1.391,54 5.261,55 18.107,56 279.446,57 3.538,58 4.727,59 14507,60 20.5,61 122.103,62 155,63 15844,64 4.923,65 0.238,66 0.248,67 1,68 13.788,69 3.784,70 10}
{0 CHEMBL180561,1 1,2 1,4 2.515,6 11.353,8 1,13 1,17 4.736,19 3.265,20 5.339,22 3.352,23 3.277,24 7.226,25 5.432,26 70665,27 8.485,28 22,29 2.154,30 93.559,31 4.174,32 64,33 24.12,34 24.12,35 24.12,36 24.12,37 24.12,38 1.695,39 3.718,40 301.256,41 2.401,42 3.516,44 1.993,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 74.094,53 2.5,54 5.316,55 24.488,56 467.628,57 3.734,59 36968,60 27.75,61 180.05,62 285,63 39135,64 5.469,65 0.22,66 0.23,68 19.547,69 3.911,70 6.489}
{0 CHEMBL18329,1 1,2 1,3 549.923,4 5.238,5 4,6 12.048,8 3,11 6.454,13 0.286,14 1,16 2,17 5.154,18 279.151,19 2.579,20 5.777,22 3.527,23 3.308,24 7.548,25 5.414,26 345397,27 9.922,28 13,29 2.247,30 86.916,31 4.043,32 56,33 23.605,34 23.605,35 23.605,36 23.605,37 23.605,38 1.89,39 3.585,40 306.416,41 2.517,42 3.564,43 2,44 1.952,45 4,46 7,47 39,48 3.892,49 3.892,50 48,51 4.575,52 77.288,53 2.403,54 5.777,55 24.236,56 504.473,57 3.588,58 5.9,59 25082,60 28.75,61 157.408,62 187,63 27485,64 5.369,65 0.228,66 0.235,68 19.962,69 3.54,70 7.42}
{0 CHEMBL1909065,6 10.56,11 77.604,13 0.857,14 12,16 6,17 5.906,20 6.574,22 3.85,23 3.703,24 7.884,25 5.69,26 715198,27 10.516,28 25,29 2.967,30 109.837,31 4.277,32 71,33 34.084,34 34.084,35 34.084,36 34.084,37 34.084,38 2.355,39 3.697,40 374.853,41 2.727,42 3.944,44 2.009,45 8,46 7,47 39,48 4.263,49 4.263,50 70,51 4.949,52 108.77,53 2.897,54 6.294,55 35.826,56 837.567,57 3.706,58 5.861,59 81783,60 42.25,61 227.279,62 430,63 85685,64 5.974,65 0.188,66 0.19,68 30.105,69 4.093,70 5.793}
{0 CHEMBL1909072,1 1,2 1,4 4.839,6 10.208,8 2,13 0.5,16 1,17 4.459,18 198.474,19 5.755,20 5.123,22 2.712,23 2.606,24 6.627,25 4.89,26 25556,27 7.724,28 15,29 1.353,30 54.854,31 3.638,32 37,33 14.82,34 14.82,35 14.82,36 14.82,37 14.82,38 1.153,39 3.421,40 172.632,41 1.57,42 2.883,43 2,44 1.835,46 4,47 24,48 3.434,49 3.434,50 30,51 4.111,52 45.189,53 0.897,54 5.123,55 15.727,56 233.473,57 3.413,59 8688,60 17.25,61 113.96,62 102,63 9148,64 4.726,65 0.272,66 0.284,68 12.956,69 3.353,70 7.347}
{0 CHEMBL191703,1 2,2 2,3 52.821,4 5.172,5 1,6 8.828,7 2.741,8 2,10 1,13 0.2,15 1,17 4.239,18 120.821,20 5.29,22 2.558,23 2.27,24 7.143,25 4.883,26 49668,27 8.416,28 14,29 1.244,30 48.961,31 3.466,32 31,33 14.689,34 14.689,35 14.689,36 14.689,37 14.689,38 1.034,39 3.292,40 156.535,41 1.269,42 2.803,43 2,44 1.88,46 5,47 28,48 3.434,49 3.434,50 30,51 4.111,52 47.835,53 0.615,54 5.29,55 15.007,56 257.459,57 3.286,58 5.587,59 6817,60 16.5,61 111.75,62 85,63 7242,64 4.668,65 0.182,66 0.186,68 12.432,69 3.143,70 7.978}
{0 CHEMBL19215,1 1,2 1,3 185.286,4 2.491,5 2,6 11.309,8 1,9 1,11 5.382,13 0.4,14 1,17 4.548,18 196.711,19 3.946,20 5.416,22 2.913,23 2.89,24 6.843,25 5.05,26 59819,27 8.43,28 21,29 1.364,30 64.798,31 3.784,32 43,33 16.82,34 16.82,35 16.82,36 16.82,37 16.82,38 1.225,39 3.367,40 205.081,41 1.964,42 3.162,43 2,44 1.955,46 5,47 29,48 3.555,49 3.555,50 34,51 4.234,52 52.069,53 1.378,54 5.416,55 17.366,56 279.356,57 3.362,58 4.844,59 12145,60 19.75,61 119.298,62 131,63 13211,64 4.876,65 0.229,66 0.24,68 13.451,69 3.561,70 6.724}
{0 CHEMBL19236,6 7.26,9 1,11 5.136,13 1,14 1,16 1,17 3.453,19 1.825,20 4.325,22 1.387,23 0.831,24 5.979,25 4.311,26 1780,27 5.771,28 7,29 -0.243,30 30.893,31 3.091,32 21,33 8.332,34 8.332,35 8.332,36 8.332,37 8.332,38 -0.553,39 2.918,40 97.387,41 -0.584,42 1.72,44 1.632,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.811,53 -0.5,54 4.325,55 9.316,56 104.901,57 2.92,58 4.443,59 1850,60 11.75,61 60.91,62 37,63 1778,64 3.973,65 0.364,66 0.382,67 1,68 7.143,69 2.705,70 5.699}
{0 CHEMBL193435,1 1,2 1,4 2.195,6 10.224,8 1,9 1,11 12.651,13 0.25,14 2,16 1,17 4.176,18 56.599,19 5.313,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 0.984,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.728,39 3.286,40 139.921,41 1.341,42 2.831,43 1,44 1.887,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.777,56 203.176,57 3.285,58 4.844,59 4741,60 14.75,61 94.897,62 66,63 4917,64 4.492,65 0.262,66 0.275,67 1,68 11.397,69 2.884,70 6.13}
{0 CHEMBL193458,1 1,2 1,3 184.381,4 2.534,5 2,6 11.144,8 1,9 1,11 4.502,13 0.2,14 1,17 4.83,18 180.368,19 2.613,20 5.73,22 3.152,23 3.004,24 6.984,25 5.139,26 104472,27 8.924,28 17,29 1.683,30 68.026,31 3.85,32 46,33 18.679,34 18.679,35 18.679,36 18.679,37 18.679,38 1.532,39 3.457,40 248.626,41 2.049,42 3.271,43 2,44 1.927,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 58.01,53 1.662,54 5.73,55 19.172,56 336.053,57 3.484,58 4.844,59 15826,60 22.75,61 125.537,62 148,63 16698,64 5.051,65 0.249,66 0.259,68 15.051,69 3.623,70 8.284}
{0 CHEMBL193639,1 1,2 1,4 2.156,6 10.224,8 1,11 6.373,13 0.25,14 1,17 4.176,18 56.599,19 4.519,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 1.035,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.727,39 3.282,40 139.921,41 1.341,42 2.831,43 1,44 1.884,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.685,56 203.176,57 3.284,58 4.844,59 4741,60 14.5,61 93.934,62 66,63 4917,64 4.492,65 0.27,66 0.284,68 10.589,69 2.884,70 7.183}
{0 CHEMBL1940418,1 1,2 1,4 4.888,6 8.648,8 2,13 1,17 4.002,19 2.161,20 4.789,22 2.5,23 2.386,24 6.146,25 4.654,26 8139,27 6.763,28 17,29 1,30 44.479,31 3.466,32 31,33 12.37,34 12.37,35 12.37,36 12.37,37 12.37,38 0.955,39 3.398,40 139.805,41 1.373,42 2.5,44 1.89,45 1,46 3,47 18,48 3.258,49 3.258,50 25,51 3.932,52 36.199,53 0.5,54 4.789,55 12.969,56 165.348,57 3.385,59 6693,60 14.75,61 93.479,62 100,63 7035,64 4.495,65 0.241,66 0.251,68 8.967,69 3.594,70 6.511}
{0 CHEMBL1940419,1 1,2 1,4 4.869,6 8.648,8 2,13 1,17 4.002,19 2.061,20 4.736,22 2.5,23 2.386,24 6.146,25 4.654,26 8139,27 6.763,28 19,29 1,30 44.479,31 3.466,32 31,33 12.37,34 12.37,35 12.37,36 12.37,37 12.37,38 0.955,39 3.386,40 138.569,41 1.373,42 2.5,44 1.889,45 1,46 3,47 18,48 3.258,49 3.258,50 25,51 3.932,52 36.199,53 0.5,54 4.736,55 13.314,56 165.348,57 3.344,59 6693,60 14.75,61 96.771,62 100,63 7035,64 4.495,65 0.269,66 0.28,68 9.577,69 3.594,70 7.346}
{0 CHEMBL1940420,1 1,2 1,4 4.777,6 8.648,8 2,9 1,11 5.629,13 1,14 1,16 1,17 4.002,19 1.557,20 4.736,22 2.5,23 2.386,24 6.146,25 4.654,26 8139,27 6.763,28 19,29 1,30 44.479,31 3.466,32 31,33 12.37,34 12.37,35 12.37,36 12.37,37 12.37,38 0.955,39 3.333,40 138.569,41 1.373,42 2.5,44 1.89,45 1,46 3,47 18,48 3.258,49 3.258,50 25,51 3.932,52 36.199,53 0.5,54 4.736,55 13.189,56 165.348,57 3.325,59 6693,60 15.25,61 90.327,62 100,63 7035,64 4.495,65 0.269,66 0.28,67 1,68 8.967,69 3.594,70 6.711}
{0 CHEMBL194659,1 1,2 1,4 2.13,6 10.224,8 1,9 1,11 12.359,13 0.25,14 2,16 1,17 4.176,18 56.599,19 3.248,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 0.984,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.728,39 3.281,40 139.921,41 1.341,42 2.831,43 1,44 1.888,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.575,56 203.176,57 3.283,58 4.844,59 4741,60 15,61 87.491,62 66,63 4917,64 4.492,65 0.262,66 0.275,67 1,68 9.947,69 2.884,70 6.699}
{0 CHEMBL194849,4 1.899,6 8.316,8 1,13 1,17 3.368,19 3.247,20 4.856,22 2.359,23 2.03,24 6.229,25 4.644,26 3842,27 6.394,28 12,29 0.866,30 43.917,31 3.434,32 30,33 11.381,34 11.381,35 11.381,36 11.381,37 11.381,38 0.556,39 3.086,40 134.479,41 0.898,42 2.5,44 1.682,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.173,53 0.339,54 4.856,55 11.866,56 160.447,57 3.088,58 4.443,59 3988,60 13.5,61 82.704,62 56,63 4086,64 4.364,65 0.271,66 0.287,68 9.102,69 2.879,70 7.893}
{0 CHEMBL195437,6 6.366,13 1,17 3.507,19 1.699,20 4.486,22 0.966,23 0.5,24 5.303,25 4.052,26 987,27 5.242,28 4,29 -0.949,30 24.494,31 2.944,32 18,33 7.398,34 7.398,35 7.398,36 7.398,37 7.398,38 -1,39 3.086,40 91.753,41 -0.694,42 1.349,44 1.741,46 1,47 6,48 2.773,49 2.773,50 15,51 3.434,52 20.143,53 -0.916,54 4.378,55 7.479,56 78.337,57 3.065,59 1934,60 7.75,61 65,62 48,63 1797,64 3.874,65 0.21,66 0.214,68 5.682,69 3.225,70 4.847}
{0 CHEMBL1956191,6 6.949,9 1,11 5.704,13 1,14 1,17 3.323,19 1.325,20 4.495,22 1.276,23 0.715,24 5.814,25 4.241,26 1435,27 5.572,28 9,29 -0.781,30 28.839,31 3.045,32 20,33 7.889,34 7.889,35 7.889,36 7.889,37 7.889,38 -0.958,39 2.806,40 94.606,41 -0.716,42 1.69,44 1.681,45 1,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.341,53 -0.669,54 4.495,55 8.563,56 92.874,57 2.778,58 4.443,59 1663,60 9.75,61 59.683,62 37,63 1631,64 3.885,65 0.329,66 0.345,67 1,68 6.65,69 2.768,70 6.545}
{0 CHEMBL1956192,6 6.949,9 1,11 5.789,13 1,14 1,17 3.323,19 1.817,20 4.495,22 1.276,23 0.715,24 5.814,25 4.241,26 1435,27 5.572,28 9,29 -0.783,30 28.839,31 3.045,32 20,33 7.889,34 7.889,35 7.889,36 7.889,37 7.889,38 -0.958,39 2.888,40 94.606,41 -0.716,42 1.69,44 1.681,45 1,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.341,53 -0.669,54 4.495,55 8.613,56 92.874,57 2.802,58 4.443,59 1663,60 9.5,61 62.501,62 37,63 1631,64 3.885,65 0.329,66 0.345,67 1,68 7.021,69 2.768,70 6.55}
{0 CHEMBL1956193,6 7.383,9 1,11 5.343,13 1,14 1,17 3.572,19 -0.94,20 4.518,22 1.685,23 1.12,24 6.256,25 4.437,26 2278,27 5.932,28 9,29 0.51,30 34.116,31 3.178,32 23,33 9.383,34 9.383,35 9.383,36 9.383,37 9.383,38 -0.7,39 3.013,40 108.825,41 -0.114,42 2.025,44 1.681,45 1,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.928,53 -0.317,54 4.518,55 10.288,56 124.257,57 3.066,58 4.443,59 2563,60 11.75,61 60.852,62 47,63 2480,64 4.146,65 0.348,66 0.363,67 1,68 6.279,69 2.788,70 6.055}
{0 CHEMBL1956194,6 7.382,9 1,11 5.937,13 1,14 1,17 3.499,19 1.918,20 4.686,22 1.686,23 1.145,24 5.999,25 4.388,26 1995,27 5.823,28 11,29 -0.573,30 33.169,31 3.178,32 23,33 8.873,34 8.873,35 8.873,36 8.873,37 8.873,38 -0.771,39 3.178,40 117.961,41 -0.136,42 2.025,44 1.681,45 1,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.746,53 -0.5,54 4.686,55 9.296,56 112.378,57 3.168,58 4.443,59 2255,60 10.5,61 68.846,62 44,63 2193,64 4.064,65 0.262,66 0.274,67 1,68 7.21,69 2.803,70 6.58}
{0 CHEMBL1956195,6 7.594,9 1,11 6.065,13 1,14 1,17 3.725,19 2.36,20 4.702,22 1.698,23 1.525,24 6.098,25 4.449,26 3055,27 6.114,28 9,29 0.07,30 34.926,31 3.219,32 24,33 9.899,34 9.899,35 9.899,36 9.899,37 9.899,38 -0.145,39 3.178,40 122.818,41 0.424,42 2.029,44 1.681,45 1,46 3,47 14,48 3.045,49 3.045,50 20,51 3.714,52 29.614,53 -0.177,54 4.702,55 10.323,56 125.941,57 3.168,58 5.733,59 2865,60 11.5,61 71.868,62 49,63 2994,64 4.144,65 0.252,66 0.263,67 1,68 7.741,69 2.933,70 6.56}
{0 CHEMBL1956196,6 7.258,9 2,11 11.379,13 1,14 2,17 3.617,19 1.54,20 4.629,22 1.686,23 1.235,24 5.9,25 4.324,26 2030,27 5.823,28 11,29 -0.194,30 31.334,31 3.135,32 22,33 8.864,34 8.864,35 8.864,36 8.864,37 8.864,38 -0.447,39 3.178,40 109.419,41 0.051,42 2.021,44 1.689,45 2,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 25.835,53 -0.5,54 4.515,55 9.544,56 110.42,57 3.168,58 4.443,59 2312,60 11,61 66.089,62 45,63 2257,64 4.06,65 0.281,66 0.292,67 2,68 6.851,69 2.906,70 5}
{0 CHEMBL1956197,6 7.594,9 2,11 11.774,13 1,14 2,17 3.725,19 1.638,20 4.593,22 1.698,23 1.525,24 6.098,25 4.449,26 3055,27 6.114,28 10,29 0.215,30 34.926,31 3.219,32 24,33 9.899,34 9.899,35 9.899,36 9.899,37 9.899,38 -0.14,39 3.178,40 116.012,41 0.424,42 2.029,44 1.681,45 2,46 3,47 14,48 3.045,49 3.045,50 20,51 3.714,52 29.614,53 -0.177,54 4.482,55 10.539,56 125.941,57 3.168,58 5.733,59 2865,60 12,61 68.552,62 49,63 2994,64 4.144,65 0.277,66 0.289,67 2,68 7.741,69 2.933,70 6.17}
{0 CHEMBL1956198,6 7.382,7 1.387,9 2,11 11.095,13 1,14 2,15 1,17 3.617,19 1.351,20 4.718,22 1.692,23 1.385,24 5.9,25 4.363,26 2030,27 5.823,28 11,29 -0.194,30 32.07,31 3.178,32 23,33 8.864,34 8.864,35 8.864,36 8.864,37 8.864,38 -0.447,39 3.178,40 112.814,41 0.056,42 2.028,44 1.681,45 2,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.119,53 -0.5,54 4.658,55 9.544,56 110.42,57 3.168,58 4.443,59 2312,60 11,61 65.033,62 45,63 2257,64 4.06,65 0.289,66 0.303,67 2,68 6.851,69 2.906,70 6.2}
{0 CHEMBL1956199,6 7.115,9 2,11 11.026,13 1,14 2,17 3.5,19 1.488,20 4.515,22 1.64,23 1.007,24 5.872,25 4.284,26 1714,27 5.704,28 12,29 -0.431,30 30.106,31 3.091,32 21,33 8.326,34 8.326,35 8.326,36 8.326,37 8.326,38 -0.741,39 2.969,40 101.946,41 -0.204,42 1.734,44 1.681,45 2,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.609,53 -0.5,54 4.39,55 8.934,56 101.916,57 2.978,58 4.443,59 1955,60 10.5,61 61.341,62 41,63 1910,64 3.976,65 0.294,66 0.306,67 2,68 6.47,69 2.801,70 5.01}
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{0 CHEMBL1956202,6 7.382,9 1,11 5.777,13 1,14 1,16 1,17 3.499,19 1.224,20 4.635,21 1,22 1.686,23 1.145,24 5.999,25 4.388,26 1995,27 5.823,28 9,29 0.158,30 33.169,31 3.178,32 23,33 8.873,34 8.873,35 8.873,36 8.873,37 8.873,38 -0.775,39 3.178,40 112.411,41 -0.136,42 2.025,44 1.681,45 1,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.746,53 -0.5,54 4.635,55 9.226,56 112.378,57 3.168,58 4.443,59 2255,60 10.75,61 65.281,62 44,63 2193,64 4.064,65 0.289,66 0.303,67 1,68 7.21,69 2.803,70 5.13}
{0 CHEMBL1956203,6 10.248,9 1,11 6.476,13 1,14 1,17 3.518,19 5.381,20 4.486,22 2.64,23 2.5,24 6.518,25 4.894,26 11348,27 7.179,28 18,29 1.03,30 57.068,31 3.689,32 39,33 14.364,34 14.364,35 14.364,36 14.364,37 14.364,38 1,39 3.591,40 139.867,41 1.5,42 2.817,44 1.831,45 1,46 4,47 23,48 3.401,49 3.401,50 29,51 4.078,52 43.125,53 0.954,54 4.486,55 14.776,56 226.905,57 3.591,58 4.443,59 7010,60 16,61 105.15,62 78,63 7426,64 4.672,65 0.225,66 0.238,67 1,68 10.976,69 3.022,70 6.2}
{0 CHEMBL1956899,6 7.518,11 11.654,13 1,14 2,16 1,17 3.382,19 1.173,20 4.56,22 2,23 1.698,24 5.994,25 4.388,26 3570,27 6.246,28 15,29 0.25,30 33.495,31 3.178,32 23,33 9.409,34 9.409,35 9.409,36 9.409,37 9.409,38 -0.319,39 2.988,40 104.026,41 0.656,42 2.043,44 1.681,45 2,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.217,53 -0.352,54 4.56,55 10.001,56 117.012,57 2.968,58 4.443,59 2540,60 11.5,61 63.979,62 50,63 2674,64 4.059,65 0.289,66 0.303,68 7.117,69 2.986,70 5}
{0 CHEMBL1956900,6 7.518,11 11.654,13 1,14 2,16 1,17 3.382,19 1.173,20 4.56,22 2,23 1.698,24 5.994,25 4.388,26 3570,27 6.246,28 15,29 0.25,30 33.495,31 3.178,32 23,33 9.409,34 9.409,35 9.409,36 9.409,37 9.409,38 -0.319,39 2.988,40 104.026,41 0.656,42 2.043,44 1.681,45 2,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.217,53 -0.352,54 4.56,55 10.001,56 117.012,57 2.968,58 4.443,59 2540,60 11.5,61 63.979,62 50,63 2674,64 4.059,65 0.289,66 0.303,68 7.117,69 2.986,70 5}
{0 CHEMBL1956901,6 7.518,11 11.654,13 1,14 2,16 1,17 3.382,19 1.173,20 4.56,22 2,23 1.698,24 5.994,25 4.388,26 3570,27 6.246,28 15,29 0.25,30 33.495,31 3.178,32 23,33 9.409,34 9.409,35 9.409,36 9.409,37 9.409,38 -0.319,39 2.988,40 104.026,41 0.656,42 2.043,44 1.681,45 2,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.217,53 -0.352,54 4.56,55 10.001,56 117.012,57 2.968,58 4.443,59 2540,60 11.5,61 63.979,62 50,63 2674,64 4.059,65 0.289,66 0.303,68 7.117,69 2.986,70 5}
{0 CHEMBL1956902,6 7.518,11 11.654,13 1,14 2,16 1,17 3.382,19 1.173,20 4.56,22 2,23 1.698,24 5.994,25 4.388,26 3570,27 6.246,28 15,29 0.25,30 33.495,31 3.178,32 23,33 9.409,34 9.409,35 9.409,36 9.409,37 9.409,38 -0.319,39 2.988,40 104.026,41 0.656,42 2.043,44 1.681,45 2,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.217,53 -0.352,54 4.56,55 10.001,56 117.012,57 2.968,58 4.443,59 2540,60 11.5,61 63.979,62 50,63 2674,64 4.059,65 0.289,66 0.303,68 7.117,69 2.986,70 5}
{0 CHEMBL1956903,6 7.518,11 11.654,13 1,14 2,16 1,17 3.617,19 1.163,20 4.56,22 2,23 1.682,24 5.999,25 4.388,26 3570,27 6.246,28 15,29 0.124,30 33.544,31 3.178,32 23,33 9.426,34 9.426,35 9.426,36 9.426,37 9.426,38 -0.445,39 2.988,40 104.026,41 0.653,42 2.135,44 1.681,45 2,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.287,53 -0.386,54 4.56,55 10.023,56 118.685,57 2.968,58 4.443,59 2398,60 11.5,61 63.979,62 45,63 2506,64 4.063,65 0.289,66 0.303,68 7.129,69 2.909,70 5}
{0 CHEMBL1956904,6 7.518,11 11.654,13 1,14 2,16 1,17 3.617,19 1.163,20 4.56,22 2,23 1.682,24 5.999,25 4.388,26 3570,27 6.246,28 15,29 0.124,30 33.544,31 3.178,32 23,33 9.426,34 9.426,35 9.426,36 9.426,37 9.426,38 -0.445,39 2.988,40 104.026,41 0.653,42 2.135,44 1.681,45 2,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.287,53 -0.386,54 4.56,55 10.023,56 118.685,57 2.968,58 4.443,59 2398,60 11.5,61 63.979,62 45,63 2506,64 4.063,65 0.289,66 0.303,68 7.129,69 2.909,70 5}
{0 CHEMBL1956905,6 8.539,11 12.585,13 1,14 2,16 1,17 3.306,19 2.233,20 4.356,22 2.5,23 2.469,24 6.583,25 4.762,26 7313,27 6.9,28 19,29 1.039,30 48.545,31 3.526,32 33,33 12.838,34 12.838,35 12.838,36 12.838,37 12.838,38 0.838,39 3.319,40 132.361,41 1.461,42 2.5,44 1.835,45 2,46 4,47 23,48 3.296,49 3.296,50 26,51 3.97,52 39.259,53 0.5,54 4.356,55 13.413,56 194.586,57 3.333,58 4.443,59 5164,60 15,61 88.481,62 65,63 5521,64 4.491,65 0.252,66 0.266,68 9.785,69 3.004,70 5.065}
{0 CHEMBL1956906,6 8.539,11 12.585,13 1,14 2,16 1,17 3.241,19 2.212,20 4.356,22 2.5,23 2.457,24 6.589,25 4.762,26 7313,27 6.9,28 19,29 1.044,30 48.623,31 3.526,32 33,33 12.865,34 12.865,35 12.865,36 12.865,37 12.865,38 0.913,39 3.321,40 132.361,41 1.448,42 2.5,44 1.83,45 2,46 4,47 23,48 3.296,49 3.296,50 26,51 3.97,52 39.365,53 0.5,54 4.356,55 13.447,56 197.939,57 3.335,58 4.443,59 4880,60 15,61 88.481,62 60,63 5185,64 4.495,65 0.252,66 0.266,68 9.804,69 2.886,70 5.105}
{0 CHEMBL195706,1 1,2 1,4 2.13,6 10.224,8 1,9 1,11 12.359,13 0.25,14 2,16 1,17 4.176,18 56.599,19 3.248,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 0.984,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.728,39 3.281,40 139.921,41 1.341,42 2.831,43 1,44 1.888,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.575,56 203.176,57 3.283,58 4.844,59 4741,60 15,61 87.491,62 66,63 4917,64 4.492,65 0.262,66 0.275,67 1,68 9.947,69 2.884,70 6.66}
{0 CHEMBL195925,1 1,2 1,3 156.507,4 2.568,5 2,6 10.969,8 1,13 0.2,17 4.825,18 154.349,19 2.688,20 5.664,22 3.01,23 2.863,24 6.921,25 5.053,26 84755,27 8.772,28 12,29 1.678,30 63.063,31 3.761,32 42,33 17.302,34 17.302,35 17.302,36 17.302,37 17.302,38 1.387,39 3.504,40 226.363,41 1.938,42 3.161,43 2,44 1.93,46 5,47 29,48 3.584,49 3.584,50 35,51 4.263,52 53.727,53 1.481,54 5.664,55 17.674,56 301.643,57 3.501,58 4.844,59 11987,60 20.25,61 117.118,62 122,63 12711,64 4.918,65 0.242,66 0.251,68 13.956,69 3.461,70 8.523}
{0 CHEMBL196064,1 1,2 1,3 206.23,4 2.591,5 2,6 11.183,8 1,9 1,11 5.244,13 0.2,14 1,17 4.739,18 201.847,19 2.716,20 5.573,22 3.162,23 3.011,24 7.074,25 5.179,26 120968,27 9.014,28 14,29 1.873,30 70.561,31 3.871,32 47,33 19.79,34 19.79,35 19.79,36 19.79,37 19.79,38 1.594,39 3.531,40 267.333,41 2.061,42 3.281,43 2,44 1.943,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 61.402,53 1.835,54 5.573,55 20.447,56 355.85,57 3.533,58 4.844,59 19543,60 23.5,61 139.266,62 175,63 20600,64 5.134,65 0.227,66 0.235,68 16.786,69 3.714,70 8.553}
{0 CHEMBL196344,1 1,2 1,3 138.304,4 2.611,5 2,6 10.815,8 1,13 0.2,17 4.72,18 137.487,19 2.777,20 5.603,22 2.864,23 2.68,24 6.88,25 4.98,26 72095,27 8.658,28 14,29 1.455,30 58.726,31 3.689,32 39,33 16.285,34 16.285,35 16.285,36 16.285,37 16.285,38 1.331,39 3.471,40 215.733,41 1.695,42 3.011,43 2,44 1.929,46 5,47 29,48 3.526,49 3.526,50 33,51 4.205,52 50.403,53 1.09,54 5.603,55 16.682,56 280.505,57 3.463,58 4.844,59 9669,60 19,61 114.395,62 106,63 10297,64 4.824,65 0.234,66 0.243,68 12.773,69 3.353,70 7.495}
{0 CHEMBL196400,1 1,2 1,3 113.369,4 2.588,5 2,6 10.632,8 1,9 1,11 5.042,13 0.2,14 1,17 4.364,18 115.18,19 2.755,20 5.378,22 2.862,23 2.642,24 6.853,25 4.916,26 55192,27 8.458,28 13,29 1.454,30 54.818,31 3.611,32 36,33 14.747,34 14.747,35 14.747,36 14.747,37 14.747,38 1.174,39 3.236,40 185.229,41 1.655,42 3.005,43 2,44 1.908,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.483,53 0.831,54 5.378,55 15.184,56 248.97,57 3.255,58 4.844,59 6932,60 17.25,61 99.63,62 84,63 7458,64 4.675,65 0.243,66 0.254,68 11.686,69 3.131,70 9.056}
{0 CHEMBL196451,1 1,2 1,3 223.211,4 2.59,5 2,6 12.063,8 1,9 1,11 5.341,13 0.333,14 1,17 5.037,18 217.917,19 3.666,20 5.855,22 3.161,23 3.01,24 7.047,25 5.257,26 179408,27 9.278,28 19,29 1.771,30 78.62,31 3.989,32 53,33 21.269,34 21.269,35 21.269,36 21.269,37 21.269,38 1.567,39 3.554,40 271.251,41 2.082,42 3.28,43 2,44 1.997,46 6,47 35,48 3.784,49 3.784,50 43,51 4.466,52 65.305,53 2.388,54 5.855,55 21.761,56 383.763,57 3.558,58 4.844,59 24051,60 24.5,61 146.5,62 198,63 26389,64 5.213,65 0.222,66 0.231,68 16.749,69 3.865,70 9.187}
{0 CHEMBL198949,1 1,2 1,4 4.102,6 10.05,7 3.224,8 2,10 2,13 1,15 2,17 4.574,19 2.6,20 5.318,22 2.943,23 2.816,24 6.597,25 4.977,26 15991,27 7.328,28 18,29 1.515,30 58.972,31 3.738,32 41,33 15.782,34 15.782,35 15.782,36 15.782,37 15.782,38 1.189,39 3.354,40 202.436,41 1.871,42 3.29,44 1.94,45 1,46 3,47 18,48 3.497,49 3.497,50 32,51 4.174,52 48.142,53 0.985,54 5.318,55 16.502,56 249.826,57 3.358,59 12203,60 19,61 117.935,62 141,63 12462,64 4.877,65 0.274,66 0.286,68 13.091,69 3.659,70 6}
{0 CHEMBL199824,1 1,2 1,4 7.384,6 10.611,7 1.198,8 4,9 1,11 5.419,13 0.75,14 1,15 1,16 2,17 4.696,18 151.713,19 2.141,20 5.282,22 2.935,23 2.836,24 6.732,25 5.022,26 35733,27 7.927,28 24,29 1.575,30 61.433,31 3.773,32 42.5,33 16.661,34 16.661,35 16.661,36 16.661,37 16.661,38 1.333,39 3.419,40 199.635,41 1.904,42 3.092,43 1,44 1.955,45 4,46 4,47 24,48 3.555,49 3.555,50 34,51 4.234,52 50.991,53 1.658,54 5.282,55 17.422,56 269.739,57 3.424,59 14237,60 21,61 120.819,62 160,63 15024,64 4.928,65 0.252,66 0.263,67 1,68 13.204,69 3.737,70 7.625}
{0 CHEMBL2,4 3.77,6 10.635,8 2,9 3,11 10.672,13 0.75,14 2,16 1,17 4.423,18 128.854,19 2.397,20 4.849,22 2.778,23 2.493,24 6.723,25 4.963,26 23248,27 7.716,28 18,29 1.146,30 59.568,31 3.714,32 40,33 15.147,34 15.147,35 15.147,36 15.147,37 15.147,38 0.965,39 3.26,40 182.208,41 1.491,42 2.941,43 1,44 1.696,45 4,46 4,47 23,48 3.466,49 3.466,50 31,51 4.143,52 46.8,53 1.187,54 4.808,55 16.051,56 247.474,57 3.299,58 4.443,59 9610,60 20,61 104,62 114,63 10102,64 4.777,65 0.284,66 0.3,67 2,68 12.019,69 3.501,70 7.264}
{0 CHEMBL2030626,1 1,2 1,4 2.987,6 8.084,8 1,13 0.286,17 2.656,20 3.5,22 2,23 1.468,24 7.151,25 4.654,26 30007,27 8.084,28 4,30 36.89,31 3.135,32 22,33 10.933,34 10.933,35 10.933,36 10.933,37 10.933,39 2.941,40 69.163,41 0.468,42 2.318,44 1.693,46 7,47 30,48 3.135,49 3.135,50 22,51 3.807,52 36.89,53 -0.732,54 3.5,55 11.105,56 147.026,57 2.91,58 5.416,59 2331,60 11.75,61 61.577,62 37,63 2884,64 3.982,65 0.214,66 0.224,68 8.542,69 2.579,70 5.37}
{0 CHEMBL2030634,1 1,2 1,4 2.677,6 5.204,8 1,13 1,17 2.752,20 3.711,22 0.07,24 5.371,25 3.829,26 898,27 5.204,28 6,29 -1.344,30 18.381,31 2.639,32 13,33 6.466,34 6.466,35 6.466,36 6.466,37 6.466,38 -1.5,39 2.941,40 49.82,41 -1,42 0.86,44 1.744,46 2,47 11,48 2.639,49 2.639,50 13,51 3.296,52 18.381,54 3.711,55 6.643,56 65.827,57 2.91,58 4.443,59 954,60 7.25,61 53.273,62 26,63 946,64 3.564,65 0.215,66 0.217,68 4.89,69 2.621,70 6.064}
{0 CHEMBL2031737,1 1,2 1,3 120.668,4 2.483,5 1,6 10.916,8 1,9 1,13 0.75,16 1,17 4.155,19 1.867,20 5.149,21 1,22 2.955,23 2.5,24 6.671,25 5.004,26 24353,27 7.696,28 13,29 1.503,30 62.65,31 3.761,32 42,33 15.261,34 15.261,35 15.261,36 15.261,37 15.261,38 1.104,39 3.427,40 172.89,41 1.5,42 3.025,44 1.905,46 4,47 22,48 3.466,49 3.466,50 31,51 4.143,52 47.357,53 1,54 5.149,55 15.474,56 239.052,57 3.438,58 5.352,59 10342,60 17.75,61 107.727,62 125,63 10907,64 4.774,65 0.253,66 0.269,68 12.454,69 3.583,70 5}
{0 CHEMBL2032049,1 1,2 1,3 195.783,4 2.415,5 2,6 10.812,8 1,13 0.4,17 4.514,18 105.951,19 1.551,20 5.385,22 2.973,23 2.914,24 7.141,25 5.121,26 74534,27 8.675,28 9,29 1.591,30 66.57,31 3.784,32 43,33 18.207,34 18.207,35 18.207,36 18.207,37 18.207,38 1.365,39 3.425,40 221.653,41 1.968,42 3.192,43 1,44 2.025,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 58.038,53 1.698,54 5.385,55 18.962,56 328.726,57 3.433,58 4.844,59 14390,60 21,61 122.533,62 143,63 15272,64 5.017,65 0.246,66 0.254,68 13.73,69 3.511,70 5.699}
{0 CHEMBL2058631,6 7.155,13 1,17 3.323,19 1.874,20 4.133,22 1,23 0.545,24 5.922,25 4.27,26 1601,27 5.67,28 6,29 -0.533,30 29.67,31 3.045,32 20,33 7.878,34 7.878,35 7.878,36 7.878,37 7.878,38 -0.79,39 2.849,40 91.192,41 -0.598,42 1.512,44 1.609,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.905,53 -0.566,54 4.133,55 8.676,56 95.086,57 2.815,58 4.595,59 1598,60 10,61 63.507,62 35,63 1539,64 3.883,65 0.343,66 0.362,68 7.311,69 2.711,70 5.24}
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{0 CHEMBL2112973,1 2,2 2,3 121.625,4 6.805,5 1,6 11.59,7 4.444,8 3,9 1,10 2,11 5.952,12 1,13 0.6,14 1,15 2,16 3,17 4.852,18 138.605,19 3.151,20 5.458,21 1,22 2.981,23 2.911,24 6.83,25 5.118,26 74393,27 8.558,28 28,29 1.648,30 68.254,31 3.871,32 47,33 18.779,34 18.779,35 18.779,36 18.779,37 18.779,38 1.273,39 3.52,40 223.955,41 2.036,42 3.078,43 1,44 1.975,45 2,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 57.227,53 2,54 5.417,55 19.531,56 318.848,57 3.523,58 4.727,59 17794,60 22.75,61 135.964,62 171,63 19153,64 5.052,65 0.231,66 0.241,68 14.5,69 3.774,70 8.569}
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{0 CHEMBL2112977,1 2,2 2,3 140.523,4 7.438,5 1,6 11.652,7 2.309,8 3,9 3,10 1,11 17.105,12 1,13 0.6,14 3,15 1,16 4,17 4.831,18 158.651,19 4.951,20 5.448,21 1,22 3.145,23 2.852,24 6.936,25 5.176,26 97191,27 8.752,28 32,29 2.162,30 72.147,31 3.912,32 49,33 20.146,34 20.146,35 20.146,36 20.146,37 20.146,38 1.431,39 3.573,40 249.24,41 1.965,42 3.381,43 1,44 1.998,45 3,46 5,47 29,48 3.738,49 3.738,50 41,51 4.419,52 61.16,53 2,54 5.318,55 21.179,56 351.571,57 3.572,58 4.727,59 23599,60 24.5,61 150.656,62 216,63 25262,64 5.176,65 0.22,66 0.227,67 2,68 15.912,69 3.98,70 8.398}
{0 CHEMBL2112978,1 2,2 2,3 100.426,4 5.008,5 1,6 11.198,7 4.473,8 2,9 2,10 2,11 11.801,12 1,13 0.6,14 2,15 2,16 3,17 4.513,18 116.488,19 3.266,20 5.2,21 1,22 2.913,23 2.579,24 6.645,25 4.977,26 50186,27 8.206,28 26,29 1.366,30 59.84,31 3.738,32 41,33 16.352,34 16.352,35 16.352,36 16.352,37 16.352,38 1.081,39 3.517,40 179.019,41 1.525,42 2.992,43 1,44 1.974,45 2,46 5,47 29,48 3.526,49 3.526,50 33,51 4.205,52 49.627,53 1.379,54 5.151,55 17.055,56 252.902,57 3.521,58 4.727,59 12443,60 19.25,61 116.127,62 140,63 13746,64 4.826,65 0.235,66 0.246,67 1,68 12.508,69 3.72,70 8.77}
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{0 CHEMBL21343,3 121.262,4 1.925,5 2,6 10.282,7 2.215,8 1,10 1,13 0.25,15 1,17 4.176,18 129.576,19 2.651,20 4.839,22 2.547,23 2.297,24 6.658,25 4.8,26 22081,27 7.728,28 11,29 0.856,30 49.345,31 3.526,32 33,33 12.686,34 12.686,35 12.686,36 12.686,37 12.686,38 0.701,39 3.342,40 164.964,41 1.139,42 2.747,43 2,44 1.859,46 4,47 23,48 3.296,49 3.296,50 26,51 3.97,52 39.874,53 0.716,54 4.839,55 13.015,56 200.532,57 3.334,58 4.727,59 5020,60 15,61 93.438,62 70,63 5221,64 4.497,65 0.242,66 0.254,68 9.938,69 3.043,70 5}
{0 CHEMBL214661,1 1,2 1,4 4.765,6 11.25,8 2,13 0.75,17 4.522,18 127.31,19 3.075,20 5.247,22 2.639,23 2.5,24 6.691,25 4.951,26 26071,27 7.757,28 19,29 1.193,30 59.107,31 3.701,32 39.5,33 15.208,34 15.208,35 15.208,36 15.208,37 15.208,38 1,39 3.437,40 191.815,41 1.5,42 3.16,43 1,44 1.901,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.506,53 1.037,54 5.247,55 15.913,56 246.713,57 3.441,59 9550,60 18.5,61 110.395,62 114,63 10049,64 4.78,65 0.255,66 0.268,68 11.662,69 3.413,70 7.42}
{0 CHEMBL214996,1 1,2 1,4 4.847,6 11.228,8 2,13 0.75,17 4.307,18 127.31,19 4.897,20 5.267,22 2.642,23 2.522,24 6.711,25 4.951,26 25349,27 7.738,28 20,29 1.397,30 59.066,31 3.701,32 39.5,33 15.209,34 15.209,35 15.209,36 15.209,37 15.209,38 1.11,39 3.485,40 192.643,41 1.529,42 2.924,43 1,44 1.901,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.53,53 1.04,54 5.267,55 15.803,56 248.036,57 3.481,59 9463,60 18.25,61 114.77,62 113,63 9957,64 4.781,65 0.231,66 0.242,68 12.202,69 3.376,70 8.12}
{0 CHEMBL216072,1 1,2 1,4 4.807,6 11.151,8 2,13 0.75,17 4.459,18 118.944,19 7.049,20 5.145,22 2.757,23 2.559,24 6.688,25 4.929,26 23076,27 7.665,28 14,29 1.245,30 58.35,31 3.676,32 38.5,33 14.777,34 14.777,35 14.777,36 14.777,37 14.777,38 1.064,39 3.508,40 178.723,41 1.565,42 2.999,43 1,44 1.888,46 4,47 24,48 3.434,49 3.434,50 30,51 4.111,52 45.605,53 0.845,54 5.145,55 15.323,56 237.019,57 3.5,59 8560,60 17.5,61 113.293,62 105,63 9044,64 4.728,65 0.214,66 0.224,68 12.02,69 3.34,70 5.301}
{0 CHEMBL216197,1 1,2 1,4 2.425,6 10.954,8 1,13 0.667,17 4.444,18 138.823,19 7.036,20 5.092,22 2.756,23 2.5,24 6.624,25 4.922,26 18165,27 7.474,28 15,29 1.155,30 57.9,31 3.701,32 39.5,33 15.075,34 15.075,35 15.075,36 15.075,37 15.075,38 1,39 3.537,40 197.659,41 1.5,42 3.017,43 1,44 1.915,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 44.859,53 1.071,54 5.092,55 15.591,56 245.178,57 3.534,59 10582,60 17.75,61 125.449,62 126,63 10639,64 4.824,65 0.204,66 0.211,68 11.921,69 3.476,70 7.086}
{0 CHEMBL216290,1 1,2 1,4 4.847,6 12.68,8 2,13 0.8,17 4.374,18 138.458,19 6.851,20 5.111,22 2.939,23 2.779,24 6.79,25 5.092,26 42769,27 8.15,28 24,29 1.371,30 69.301,31 3.861,32 46.5,33 17.313,34 17.313,35 17.313,36 17.313,37 17.313,38 1.315,39 3.558,40 182.807,41 1.902,42 3.303,43 1,44 1.937,45 1,46 5,47 30,48 3.584,49 3.584,50 35,51 4.263,52 52.704,53 1.567,54 5.111,55 17.868,56 294.472,57 3.565,59 12327,60 20,61 128.672,62 122,63 13339,64 4.923,65 0.207,66 0.219,68 13.597,69 3.434,70 7.456}
{0 CHEMBL216399,1 1,2 1,4 4.832,6 10.919,8 2,13 0.75,17 4.164,18 110.399,19 4.536,20 4.849,22 2.634,23 2.5,24 6.512,25 4.854,26 18948,27 7.49,28 20,29 1.079,30 54.294,31 3.624,32 36.5,33 13.852,34 13.852,35 13.852,36 13.852,37 13.852,38 0.999,39 3.424,40 152.004,41 1.5,42 2.889,43 1,44 1.887,45 1,46 4,47 24,48 3.367,49 3.367,50 28,51 4.043,52 41.954,53 0.777,54 4.849,55 14.418,56 208.25,57 3.416,59 7349,60 16.5,61 103.536,62 97,63 7862,64 4.616,65 0.224,66 0.236,68 11.082,69 3.38,70 6.161}
{0 CHEMBL216464,1 1,2 1,4 4.851,6 11.341,8 2,13 0.75,17 4.651,18 133.551,19 4.462,20 5.124,22 2.734,23 2.613,24 6.841,25 4.999,26 28898,27 7.843,28 18,29 1.275,30 61.097,31 3.726,32 40.5,33 15.696,34 15.696,35 15.696,36 15.696,37 15.696,38 1,39 3.458,40 200.564,41 1.621,42 3.212,43 1,44 1.913,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.554,53 1.119,54 5.124,55 16.537,56 260.448,57 3.454,59 10480,60 19,61 119.621,62 122,63 10978,64 4.832,65 0.249,66 0.261,68 13.608,69 3.456,70 8.189}
{0 CHEMBL216674,1 1,2 1,4 4.91,6 11.336,8 2,13 0.75,17 4.513,18 131.263,19 8.405,20 5.234,22 2.77,23 2.614,24 6.817,25 4.999,26 28549,27 7.845,28 16,29 1.537,30 61.807,31 3.726,32 40.5,33 15.686,34 15.686,35 15.686,36 15.686,37 15.686,38 1.296,39 3.545,40 192.394,41 1.632,42 3.32,43 1,44 1.907,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.89,53 1.17,54 5.234,55 16.236,56 262.561,57 3.538,59 10356,60 18.5,61 123.078,62 120,63 10838,64 4.831,65 0.206,66 0.215,68 13.022,69 3.471,70 7.076}
{0 CHEMBL216727,1 1,2 1,4 4.826,6 11.223,8 2,13 0.75,17 4.379,18 126.813,19 4.886,20 5.181,22 2.642,23 2.516,24 6.737,25 4.965,26 25887,27 7.758,28 17,29 1.225,30 60.006,31 3.701,32 39.5,33 15.244,34 15.244,35 15.244,36 15.244,37 15.244,38 1.076,39 3.485,40 186.451,41 1.522,42 3.371,43 1,44 1.902,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.239,53 0.99,54 5.181,55 15.92,56 248.405,57 3.482,59 9517,60 18.25,61 113.212,62 114,63 10009,64 4.781,65 0.233,66 0.244,68 11.989,69 3.413,70 7.796}
{0 CHEMBL217177,1 1,2 1,4 4.906,6 11.246,8 2,13 0.75,17 4.45,18 126.177,19 7.064,20 5.207,22 2.765,23 2.614,24 6.753,25 4.965,26 25885,27 7.758,28 17,29 1.389,30 59.991,31 3.701,32 39.5,33 15.228,34 15.228,35 15.228,36 15.228,37 15.228,38 1.283,39 3.51,40 186.088,41 1.631,42 3,43 1,44 1.904,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.179,53 1.023,54 5.207,55 15.779,56 249.164,57 3.502,59 9492,60 18,61 118.036,62 114,63 9981,64 4.781,65 0.21,66 0.219,68 12.516,69 3.409,70 7.658}
{0 CHEMBL217180,1 1,2 1,4 4.828,6 9.064,8 2,13 1,17 3.698,19 5.922,20 4.3,22 2.5,23 2,24 6.326,25 4.663,26 7624,27 6.8,28 15,29 0.81,30 44.382,31 3.434,32 30,33 11.815,34 11.815,35 11.815,36 11.815,37 11.815,38 0.455,39 3.125,40 142.332,41 1,42 2.613,44 1.867,45 1,46 3,47 18,48 3.219,49 3.219,50 24,51 3.892,52 35.751,53 0.27,54 4.3,55 12.358,56 166.858,57 3.101,59 5118,60 14.5,61 92.948,62 80,63 5282,64 4.432,65 0.23,66 0.24,68 9.586,69 3.274,70 5.301}
{0 CHEMBL217202,1 1,2 1,4 4.894,6 11.049,8 2,13 0.75,17 4.316,18 116.639,19 4.694,20 5.157,22 2.639,23 2.5,24 6.608,25 4.892,26 21343,27 7.586,28 18,29 1,30 56.191,31 3.651,32 37.5,33 14.287,34 14.287,35 14.287,36 14.287,37 14.287,38 1,39 3.439,40 170.384,41 1.5,42 2.897,43 1,44 1.901,45 1,46 4,47 24,48 3.401,49 3.401,50 29,51 4.078,52 43.784,53 0.93,54 5.157,55 14.83,56 221.635,57 3.43,59 8040,60 17,61 108.404,62 103,63 8551,64 4.675,65 0.219,66 0.23,68 11.471,69 3.395,70 8.061}
{0 CHEMBL217203,1 1,2 1,4 4.91,6 11.336,8 2,13 0.75,17 4.513,18 131.263,19 8.405,20 5.234,22 2.77,23 2.614,24 6.817,25 4.999,26 28549,27 7.845,28 16,29 1.537,30 61.807,31 3.726,32 40.5,33 15.686,34 15.686,35 15.686,36 15.686,37 15.686,38 1.296,39 3.545,40 192.394,41 1.632,42 3.32,43 1,44 1.907,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.89,53 1.17,54 5.234,55 16.236,56 262.561,57 3.538,59 10356,60 18.5,61 123.078,62 120,63 10838,64 4.831,65 0.206,66 0.215,68 13.022,69 3.471,70 7.387}
{0 CHEMBL217253,1 1,2 1,4 4.85,6 11.319,8 2,13 0.75,17 4.306,18 132.895,19 4.893,20 5.323,22 2.76,23 2.642,24 6.77,25 4.985,26 27456,27 7.808,28 19,29 1.418,30 61.032,31 3.726,32 40.5,33 15.761,34 15.761,35 15.761,36 15.761,37 15.761,38 1.342,39 3.525,40 201.128,41 1.662,42 2.978,43 1,44 1.901,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.566,53 1.158,54 5.323,55 16.391,56 262.111,57 3.52,59 10206,60 18.75,61 119.188,62 117,63 10690,64 4.831,65 0.226,66 0.236,68 12.951,69 3.357,70 8.306}
{0 CHEMBL217254,1 1,2 1,4 4.855,6 11.199,8 2,13 0.75,17 4.45,18 127.31,19 5.005,20 5.267,22 2.644,23 2.538,24 6.708,25 4.951,26 25307,27 7.738,28 20,29 1.432,30 59.258,31 3.701,32 39.5,33 15.199,34 15.199,35 15.199,36 15.199,37 15.199,38 1.132,39 3.485,40 192.643,41 1.551,42 2.921,43 1,44 1.901,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.566,53 1.044,54 5.267,55 15.797,56 247.437,57 3.48,59 9527,60 18.25,61 114.848,62 114,63 10025,64 4.78,65 0.231,66 0.242,68 12.18,69 3.413,70 8.072}
{0 CHEMBL217278,1 1,2 1,4 4.905,6 11.227,8 2,13 0.75,17 4.307,18 126.813,19 7.079,20 5.207,22 2.654,23 2.547,24 6.737,25 4.965,26 25887,27 7.758,28 17,29 1.24,30 59.842,31 3.701,32 39.5,33 15.244,34 15.244,35 15.244,36 15.244,37 15.244,38 1.119,39 3.528,40 186.088,41 1.563,42 3.317,43 1,44 1.904,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.154,53 1.017,54 5.207,55 15.798,56 247.971,57 3.52,59 9581,60 18,61 118.036,62 115,63 10077,64 4.78,65 0.21,66 0.219,68 12.622,69 3.455,70 7.119}
{0 CHEMBL217299,6 9.892,9 1,11 5.71,13 0.25,14 1,17 3.722,18 137.731,19 3.881,20 5.015,22 2.236,23 1.969,24 6.526,25 4.673,26 16068,27 7.449,28 11,29 0.593,30 44.24,31 3.401,32 29,33 11.354,34 11.354,35 11.354,36 11.354,37 11.354,38 0.132,39 3.005,40 119.486,41 0.908,42 2.838,43 3,44 1.686,46 4,47 24,48 3.178,49 3.178,50 23,51 3.85,52 35.309,53 0.192,54 4.901,55 11.77,56 169.205,57 3.002,59 3304,60 13,61 74.735,62 50,63 3489,64 4.298,65 0.273,66 0.291,67 1,68 9.05,69 2.831,70 8.699}
{0 CHEMBL21731,6 9.789,13 0.25,17 3.726,18 234.787,19 6.394,20 4.67,22 2.519,23 2.32,24 6.703,25 4.7,26 14014,27 7.412,28 13,29 0.833,30 44.8,31 3.434,32 30,33 11.823,34 11.823,35 11.823,36 11.823,37 11.823,38 0.691,39 3.334,40 122.912,41 1.272,42 2.701,43 4,44 1.849,46 4,47 24,48 3.219,49 3.219,50 24,51 3.892,52 36.425,53 0.571,54 4.579,55 11.92,56 182.54,57 3.319,59 3672,60 12.5,61 88.807,62 51,63 3800,64 4.356,65 0.197,66 0.207,68 9.002,69 2.792,70 5.517}
{0 CHEMBL217366,1 1,2 1,4 4.985,6 12.893,8 2,13 0.6,17 3.961,18 216.089,19 3.522,20 4.786,22 2.847,23 2.747,24 6.723,25 5.034,26 48991,27 8.242,28 22,29 1.247,30 65.686,31 3.807,32 44,33 16.268,34 16.268,35 16.268,36 16.268,37 16.268,38 1.24,39 3.582,40 163.465,41 1.87,42 3.015,43 2,44 1.901,45 1,46 5,47 30,48 3.526,49 3.526,50 33,51 4.205,52 49.224,53 1.49,54 4.786,55 16.845,56 266.432,57 3.587,59 10842,60 19,61 119.77,62 120,63 11805,64 4.827,65 0.213,66 0.225,68 12.522,69 3.461,70 7.432}
{0 CHEMBL217452,1 1,2 1,4 4.907,6 11.234,8 2,13 0.75,17 4.45,18 126.177,19 7.112,20 5.207,22 2.719,23 2.613,24 6.756,25 4.965,26 25885,27 7.758,28 17,29 1.346,30 59.789,31 3.701,32 39.5,33 15.234,34 15.234,35 15.234,36 15.234,37 15.234,38 1.242,39 3.506,40 186.088,41 1.631,42 3.115,43 1,44 1.903,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.064,53 1.074,54 5.207,55 15.788,56 249.76,57 3.497,59 9428,60 18,61 118.036,62 113,63 9913,64 4.781,65 0.21,66 0.219,68 12.526,69 3.374,70 7.06}
{0 CHEMBL217542,1 1,2 1,4 4.84,6 11.156,8 2,13 0.75,17 4.533,18 122.224,19 3.976,20 5.247,22 2.639,23 2.5,24 6.635,25 4.914,26 23424,27 7.664,28 20,29 1.137,30 57.22,31 3.676,32 38.5,33 14.725,34 14.725,35 14.725,36 14.725,37 14.725,38 1,39 3.438,40 182.937,41 1.5,42 2.913,43 1,44 1.901,45 1,46 4,47 24,48 3.434,49 3.434,50 30,51 4.111,52 44.831,53 0.937,54 5.247,55 15.308,56 233.702,57 3.436,59 8761,60 17.75,61 110.178,62 108,63 9268,64 4.728,65 0.236,66 0.248,68 11.662,69 3.39,70 8.054}
{0 CHEMBL217567,1 1,2 1,4 4.91,6 11.336,8 2,13 0.75,17 4.513,18 131.263,19 8.405,20 5.234,22 2.77,23 2.614,24 6.817,25 4.999,26 28549,27 7.845,28 16,29 1.537,30 61.807,31 3.726,32 40.5,33 15.686,34 15.686,35 15.686,36 15.686,37 15.686,38 1.296,39 3.545,40 192.394,41 1.632,42 3.32,43 1,44 1.907,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.89,53 1.17,54 5.234,55 16.236,56 262.561,57 3.538,59 10356,60 18.5,61 123.078,62 120,63 10838,64 4.831,65 0.206,66 0.215,68 13.022,69 3.471,70 8.057}
{0 CHEMBL217568,1 1,2 1,4 4.873,6 11.234,8 2,13 0.75,17 4.45,18 126.177,19 6.225,20 5.181,22 2.719,23 2.613,24 6.756,25 4.965,26 25885,27 7.758,28 17,29 1.358,30 59.789,31 3.701,32 39.5,33 15.234,34 15.234,35 15.234,36 15.234,37 15.234,38 1.194,39 3.494,40 186.451,41 1.631,42 3.115,43 1,44 1.901,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.064,53 1.074,54 5.181,55 16.018,56 249.76,57 3.484,59 9428,60 18.25,61 117.8,62 113,63 9913,64 4.781,65 0.233,66 0.244,68 12.897,69 3.374,70 6.87}
{0 CHEMBL217665,1 1,2 1,4 4.826,6 10.832,8 2,13 0.75,17 4.054,18 105.312,19 3.491,20 4.811,22 2.626,23 2.5,24 6.441,25 4.814,26 17256,27 7.404,28 20,29 1,30 52.485,31 3.597,32 35.5,33 13.352,34 13.352,35 13.352,36 13.352,37 13.352,38 0.965,39 3.354,40 141.527,41 1.5,42 2.769,43 1,44 1.887,45 1,46 4,47 24,48 3.332,49 3.332,50 27,51 4.007,52 40.276,53 0.754,54 4.811,55 13.91,56 195.487,57 3.349,59 6718,60 16,61 98.944,62 92,63 7237,64 4.558,65 0.229,66 0.242,68 10.436,69 3.39,70 5.77}
{0 CHEMBL217768,1 1,2 1,4 4.942,6 10.13,8 2,13 0.75,17 4.307,18 127.31,19 9.155,20 5.26,22 2.502,23 2.5,24 6.711,25 4.905,26 25349,27 7.738,28 14,29 1.469,30 55.499,31 3.638,32 37,33 15.209,34 15.209,35 15.209,36 15.209,37 15.209,38 1.128,39 3.512,40 190.014,41 1.5,42 2.633,43 1,44 1.903,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.358,53 0.986,54 5.26,55 15.762,56 248.036,57 3.495,59 9463,60 18,61 118.576,62 113,63 9957,64 4.781,65 0.205,66 0.212,68 12.202,69 3.376,70 6.959}
{0 CHEMBL218457,1 1,2 1,4 4.907,6 12.773,8 2,13 0.8,17 4.688,18 144.699,19 6.842,20 5.369,22 2.939,23 2.779,24 6.851,25 5.122,26 47594,27 8.237,28 23,29 1.457,30 71.019,31 3.882,32 47.5,33 17.781,34 17.781,35 17.781,36 17.781,37 17.781,38 1.345,39 3.607,40 197.439,41 1.902,42 3.375,43 1,44 1.937,45 1,46 5,47 30,48 3.611,49 3.611,50 36,51 4.29,52 54.453,53 1.569,54 5.369,55 18.333,56 308.061,57 3.611,59 13396,60 20.5,61 133.09,62 131,63 14424,64 4.971,65 0.204,66 0.215,68 14.105,69 3.456,70 8.334}
{0 CHEMBL218675,1 1,2 1,4 4.877,6 11.315,8 2,13 0.75,17 4.582,18 133.551,19 4.88,20 5.153,22 2.732,23 2.613,24 6.858,25 4.999,26 28100,27 7.824,28 19,29 1.397,30 61.155,31 3.726,32 40.5,33 15.697,34 15.697,35 15.697,36 15.697,37 15.697,38 1.11,39 3.486,40 201.128,41 1.623,42 2.924,43 1,44 1.915,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.621,53 1.087,54 5.153,55 16.281,56 262.325,57 3.481,59 10313,60 18.75,61 119.407,62 120,63 10802,64 4.833,65 0.226,66 0.236,68 13.105,69 3.376,70 8.487}
{0 CHEMBL218679,1 1,2 1,4 4.924,6 11.137,8 2,13 0.75,17 4.357,18 122.88,19 4.678,20 5.036,22 2.732,23 2.609,24 6.77,25 4.943,26 23702,27 7.674,28 17,29 1,30 58.259,31 3.676,32 38.5,33 14.775,34 14.775,35 14.775,36 14.775,37 14.775,38 1,39 3.44,40 178.877,41 1.617,42 2.898,43 1,44 1.914,45 1,46 4,47 24,48 3.434,49 3.434,50 30,51 4.111,52 45.889,53 0.957,54 5.036,55 15.309,56 235.573,57 3.431,59 8798,60 17.5,61 113.041,62 110,63 9308,64 4.731,65 0.214,66 0.224,68 12.375,69 3.393,70 8.185}
{0 CHEMBL218730,1 1,2 1,4 4.911,6 11.325,8 2,13 0.75,17 4.513,18 131.263,19 8.393,20 5.234,22 2.967,23 2.621,24 6.808,25 4.999,26 28548,27 7.845,28 16,29 1.557,30 61.804,31 3.726,32 40.5,33 15.734,34 15.734,35 15.734,36 15.734,37 15.734,38 1.332,39 3.538,40 192.394,41 1.637,42 3.375,43 1,44 1.905,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.847,53 1.092,54 5.234,55 16.287,56 262.919,57 3.531,59 10295,60 18.5,61 123.078,62 119,63 10774,64 4.831,65 0.206,66 0.215,68 13.171,69 3.435,70 6.879}
{0 CHEMBL219916,1 1,2 1,3 259.813,4 6.125,5 2,6 10.572,8 3,13 0.6,16 2,17 4.548,19 4.175,20 5.273,22 3.012,23 2.839,24 6.838,25 5.037,26 51753,27 8.24,28 16,29 1.525,30 62.569,31 3.761,32 42,33 16.797,34 16.797,35 16.797,36 16.797,37 16.797,38 1.352,39 3.419,40 182.103,41 1.97,42 3.165,44 1.921,46 5,47 28,48 3.555,49 3.555,50 34,51 4.234,52 51.778,53 1.253,54 5.199,55 17.698,56 272.8,57 3.413,58 5.533,59 12914,60 21,61 115.812,62 144,63 14150,64 4.883,65 0.273,66 0.286,68 13.838,69 3.62,70 5.995}
{0 CHEMBL2203713,3 88.484,4 2.588,5 1,6 9.14,8 1,13 0.75,17 4.089,19 4.8,20 4.959,22 2.281,23 2.118,24 6.457,25 4.751,26 13333,27 7.249,28 12,29 0.897,30 48.081,31 3.512,32 32.5,33 12.87,34 12.87,35 12.87,36 12.87,37 12.87,38 0.716,39 3.278,40 161.153,41 1.08,42 2.622,44 1.685,46 4,47 22,48 3.296,49 3.296,50 26,51 3.97,52 39.394,53 0.545,54 4.959,55 13.628,56 186.914,57 3.279,58 5.283,59 5844,60 15,61 99.879,62 84,63 6288,64 4.493,65 0.254,66 0.267,68 10.583,69 3.312,70 4.959}
{0 CHEMBL2205361,1 1,2 1,3 124.545,4 4.387,5 1,6 9.836,8 2,9 1,13 0.75,16 1,17 4.522,19 2.284,20 5.08,22 2.662,23 2.577,24 6.608,25 4.934,26 12654,27 7.246,28 17,29 1.306,30 59.042,31 3.714,32 40,33 15.317,34 15.317,35 15.317,36 15.317,37 15.317,38 1.084,39 3.445,40 171.443,41 1.566,42 2.909,44 1.994,45 2,46 4,47 23,48 3.466,49 3.466,50 31,51 4.143,52 46.5,53 0.926,54 5.08,55 15.631,56 244.061,57 3.447,58 4.844,59 9251,60 17.75,61 112.995,62 99,63 9832,64 4.778,65 0.225,66 0.235,68 11.823,69 3.321,70 6.604}
{0 CHEMBL2205362,1 1,2 1,3 144.209,4 4.339,5 1,6 10.216,8 2,9 3,11 10.826,13 0.75,14 2,16 2,17 4.476,19 3.241,20 5.121,22 2.756,23 2.611,24 6.781,25 5.043,26 19268,27 7.599,28 21,29 1.545,30 65.124,31 3.807,32 44,33 17.143,34 17.143,35 17.143,36 17.143,37 17.143,38 1.206,39 3.452,40 206.601,41 1.618,42 3.1,44 1.995,45 3,46 4,47 23,48 3.584,49 3.584,50 35,51 4.263,52 52.03,53 1.683,54 5.09,55 17.815,56 295.078,57 3.465,58 4.844,59 13028,60 20.75,61 125.922,62 129,63 13596,64 4.968,65 0.23,66 0.239,67 2,68 13.347,69 3.493,70 5.812}
{0 CHEMBL2205811,1 1,2 1,3 241.742,4 2.573,5 4,6 10.214,8 1,9 1,11 5.35,13 0.286,14 1,17 4.056,18 391.144,19 2.271,20 5.29,22 2.661,23 2.568,24 7.248,25 4.924,26 116540,27 9.188,28 10,29 0.937,30 52.372,31 3.497,32 32,33 14.321,34 14.321,35 14.321,36 14.321,37 14.321,38 0.783,39 3.153,40 139.025,41 1.571,42 2.721,43 6,44 1.765,46 7,47 40,48 3.401,49 3.401,50 29,51 4.078,52 48.126,53 0.602,54 5.29,55 14.75,56 232.97,57 3.137,58 6.874,59 5724,60 16,61 86.887,62 71,63 6625,64 4.496,65 0.232,66 0.242,67 1,68 11.359,69 3.032,70 6.254}
{0 CHEMBL2205812,1 1,2 1,3 248.426,4 2.577,5 4,6 10.196,8 1,9 1,11 5.249,13 0.286,14 1,17 3.828,18 401.62,19 2.284,20 5.116,22 2.593,23 2.5,24 7.246,25 4.924,26 116540,27 9.188,28 10,29 1,30 52.402,31 3.497,32 32,33 14.304,34 14.304,35 14.304,36 14.304,37 14.304,38 0.802,39 3.156,40 139.025,41 1.5,42 2.682,43 6,44 1.766,46 7,47 40,48 3.401,49 3.401,50 29,51 4.078,52 48.173,53 0.573,54 5.116,55 14.736,56 231.766,57 3.142,58 6.874,59 5868,60 16,61 86.887,62 73,63 6793,64 4.492,65 0.232,66 0.242,67 1,68 11.347,69 3.096,70 5.769}
{0 CHEMBL2205813,1 1,2 1,3 270.566,4 2.544,5 4,6 10.471,8 1,9 2,11 11.055,13 0.286,14 2,17 4.214,18 438.357,19 2.839,20 5.334,22 2.684,23 2.599,24 7.311,25 4.98,26 143110,27 9.354,28 12,29 1.344,30 55.444,31 3.555,32 34,33 15.214,34 15.214,35 15.214,36 15.214,37 15.214,38 0.894,39 3.153,40 150.444,41 1.599,42 2.917,43 6,44 1.767,45 1,46 7,47 40,48 3.466,49 3.466,50 31,51 4.143,52 50.95,53 0.916,54 5.214,55 15.806,56 259.284,57 3.137,58 6.874,59 6930,60 17.5,61 93.35,62 82,63 7911,64 4.621,65 0.235,66 0.245,67 2,68 11.983,69 3.051,70 5.362}
{0 CHEMBL2205814,1 1,2 1,3 283.112,4 2.556,5 4,6 10.412,8 1,9 2,11 10.793,13 0.286,14 2,17 4.214,18 458.116,19 2.851,20 5.214,22 2.682,23 2.593,24 7.3,25 4.98,26 143110,27 9.354,28 12,29 1.15,30 55.442,31 3.555,32 34,33 15.22,34 15.22,35 15.22,36 15.22,37 15.22,38 0.807,39 3.158,40 150.444,41 1.594,42 2.919,43 6,44 1.772,45 1,46 7,47 40,48 3.466,49 3.466,50 31,51 4.143,52 50.949,53 0.921,54 5.174,55 15.821,56 256.369,57 3.146,58 6.874,59 7217,60 17.5,61 93.35,62 86,63 8247,64 4.618,65 0.235,66 0.245,67 2,68 12.067,69 3.152,70 5.727}
{0 CHEMBL2205816,1 1,2 1,3 207.056,4 2.554,5 4,6 9.947,8 1,13 0.286,16 1,17 3.427,18 334.648,19 1.171,20 5.211,22 2.571,23 2.5,24 7.203,25 4.864,26 90018,27 8.991,28 6,29 0.812,30 49.366,31 3.434,32 30,33 13.411,34 13.411,35 13.411,36 13.411,37 13.411,38 0.781,39 3.15,40 124.301,41 1.5,42 2.671,43 6,44 1.755,46 7,47 35,48 3.332,49 3.332,50 27,51 4.007,52 45.374,53 0.5,54 5.211,55 13.757,56 210.789,57 3.132,58 6.874,59 4432,60 15,61 77.69,62 58,63 5219,64 4.362,65 0.243,66 0.256,68 10.556,69 2.887,70 5.736}
{0 CHEMBL2205823,1 1,2 1,3 211.21,4 2.516,5 4,6 10.252,8 1,9 1,11 5.545,13 0.286,14 1,16 1,17 3.88,18 342.248,19 2.203,20 5.223,22 2.655,23 2.442,24 7.253,25 4.902,26 105781,27 9.141,28 10,29 0.94,30 51.035,31 3.466,32 31,33 13.826,34 13.826,35 13.826,36 13.826,37 13.826,38 0.762,39 3.111,40 129.329,41 1.438,42 2.917,43 6,44 1.743,46 7,47 40,48 3.367,49 3.367,50 28,51 4.043,52 46.802,53 0.57,54 5.223,55 14.239,56 227.547,57 3.098,58 6.874,59 4677,60 15.5,61 82.133,62 59,63 5402,64 4.434,65 0.238,66 0.25,67 1,68 10.923,69 2.825,70 6.156}
{0 CHEMBL2205824,1 1,2 1,3 217.326,4 2.526,5 4,6 10.196,8 1,9 1,11 5.37,13 0.286,14 1,17 3.88,18 351.888,19 2.212,20 5.223,22 2.652,23 2.441,24 7.244,25 4.902,26 105781,27 9.141,28 10,29 0.936,30 50.984,31 3.466,32 31,33 13.838,34 13.838,35 13.838,36 13.838,37 13.838,38 0.761,39 3.115,40 129.329,41 1.438,42 2.707,43 6,44 1.743,46 7,47 40,48 3.367,49 3.367,50 28,51 4.043,52 46.755,53 0.584,54 5.223,55 14.26,56 225.647,57 3.103,58 6.874,59 4812,60 15.5,61 82.133,62 61,63 5562,64 4.431,65 0.238,66 0.25,67 1,68 11.017,69 2.911,70 5.864}
{0 CHEMBL2205825,1 1,2 1,3 224.391,4 2.533,5 4,6 10.178,8 1,9 1,11 5.262,13 0.286,14 1,17 3.789,18 362.881,19 2.23,20 5.037,22 2.5,23 2.482,24 7.242,25 4.902,26 105781,27 9.141,28 10,29 1,30 51.029,31 3.466,32 31,33 13.821,34 13.821,35 13.821,36 13.821,37 13.821,38 0.765,39 3.118,40 129.329,41 1.482,42 2.66,43 6,44 1.743,46 7,47 40,48 3.367,49 3.367,50 28,51 4.043,52 46.8,53 0.5,54 5.037,55 14.246,56 224.324,57 3.108,58 6.874,59 4948,60 15.5,61 82.133,62 63,63 5722,64 4.426,65 0.238,66 0.25,67 1,68 11.005,69 2.981,70 5.827}
{0 CHEMBL2205827,1 1,2 1,3 256.915,4 2.505,5 4,6 10.396,8 1,9 2,11 10.826,13 0.286,14 2,17 4.054,18 415.789,19 2.783,20 5.139,22 2.66,23 2.482,24 7.296,25 4.959,26 130605,27 9.314,28 12,29 1.103,30 54.067,31 3.526,32 33,33 14.737,34 14.737,35 14.737,36 14.737,37 14.737,38 0.766,39 3.121,40 140.845,41 1.482,42 2.919,43 6,44 1.743,45 1,46 7,47 40,48 3.434,49 3.434,50 30,51 4.111,52 49.579,53 0.76,54 5.097,55 15.331,56 249.247,57 3.112,58 6.874,59 6129,60 17,61 88.596,62 74,63 6988,64 4.558,65 0.241,66 0.252,67 2,68 11.726,69 3.04,70 5.941}
{0 CHEMBL2205829,1 1,2 1,3 291.152,4 2.515,5 5,6 10.761,8 1,9 2,11 10.956,13 0.25,14 2,17 4.263,18 357.507,19 2.965,20 5.249,22 2.66,23 2.49,24 7.31,25 4.973,26 194758,27 9.616,28 6,29 1.532,30 55.041,31 3.526,32 33,33 14.899,34 14.899,35 14.899,36 14.899,37 14.899,38 1.083,39 3.131,40 130.364,41 1.489,42 2.886,43 6,44 1.743,46 8,47 40,48 3.434,49 3.434,50 30,51 4.111,52 50.532,53 0.689,54 5.249,55 15.365,56 245.91,57 3.126,58 6.971,59 5670,60 17,61 81.436,62 67,63 6913,64 4.5,65 0.252,66 0.266,67 2,68 11.84,69 2.947,70 5.749}
{0 CHEMBL2205836,1 1,2 1,3 235.88,4 2.566,5 4,6 10.269,8 1,9 1,11 5.511,13 0.286,14 1,17 4.056,18 381.861,19 2.271,20 5.29,22 2.669,23 2.569,24 7.258,25 4.924,26 116540,27 9.188,28 10,29 0.941,30 52.407,31 3.497,32 32,33 14.309,34 14.309,35 14.309,36 14.309,37 14.309,38 0.785,39 3.15,40 139.025,41 1.572,42 2.917,43 6,44 1.761,46 7,47 40,48 3.401,49 3.401,50 29,51 4.078,52 48.169,53 0.596,54 5.29,55 14.729,56 234.679,57 3.132,58 6.874,59 5581,60 16,61 86.887,62 69,63 6457,64 4.498,65 0.232,66 0.242,67 1,68 11.264,69 2.948,70 6.273}
{0 CHEMBL221523,6 9.617,9 1,11 6.034,13 1,14 1,17 3.915,19 2.572,20 4.853,22 2.552,23 2.5,24 6.368,25 4.771,26 7592,27 6.799,28 13,29 1.03,30 49.481,31 3.555,32 34,33 12.327,34 12.327,35 12.327,36 12.327,37 12.327,38 0.714,39 3.178,40 136.877,41 1.5,42 2.658,44 1.778,45 1,46 3,47 17,48 3.258,49 3.258,50 25,51 3.932,52 37.258,53 0.568,54 4.853,55 12.83,56 179.475,57 3.168,58 4.443,59 5417,60 14.75,61 87.339,62 76,63 5536,64 4.493,65 0.284,66 0.302,67 1,68 9.885,69 3.219,70 6.52}
{0 CHEMBL221753,6 8.675,9 1,11 11.693,13 1,14 2,17 4.215,19 3.633,20 4.832,22 2.722,23 2.5,24 6.73,25 4.905,26 9085,27 6.834,28 25,29 1,30 54.08,31 3.638,32 37,33 15.354,34 15.354,35 15.354,36 15.354,37 15.354,38 1,39 3.552,40 200.346,41 1.5,42 2.876,44 1.913,45 1,46 2,47 12,48 3.466,49 3.466,50 31,51 4.143,52 46.447,53 0.655,54 4.832,55 16.039,56 231.408,57 3.563,59 13522,60 17.5,61 125.887,62 168,63 13487,64 4.882,65 0.193,66 0.197,67 1,68 14.269,69 3.807,70 5.708}
{0 CHEMBL221989,6 9.051,9 1,11 6.051,13 1,14 1,16 1,17 3.722,19 2.741,20 4.973,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 12,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.178,40 125.098,41 0.875,42 2.5,44 1.762,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.973,55 11.416,56 148.148,57 3.168,58 4.443,59 3656,60 13,61 77.485,62 57,63 3791,64 4.296,65 0.267,66 0.283,67 1,68 8.364,69 3.018,70 5.9}
{0 CHEMBL222138,6 9.753,9 1,11 6.003,13 1,14 1,17 4.089,19 1.908,20 5.053,22 2.618,23 2.5,24 6.402,25 4.771,26 7592,27 6.799,28 13,29 1.031,30 49.471,31 3.555,32 34,33 12.344,34 12.344,35 12.344,36 12.344,37 12.344,38 0.713,39 3.178,40 136.877,41 1.5,42 2.656,44 1.771,45 1,46 3,47 17,48 3.258,49 3.258,50 25,51 3.932,52 37.237,53 0.639,54 5.003,55 12.842,56 183.783,57 3.168,58 4.443,59 5058,60 14.75,61 87.339,62 70,63 5152,64 4.498,65 0.284,66 0.302,67 1,68 9.822,69 3.047,70 5.91}
{0 CHEMBL222371,6 9.203,9 1,11 6.09,13 1,14 1,17 4.011,19 3.679,20 5.053,22 2.5,23 2.025,24 6.256,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.835,31 3.434,32 30,33 11.376,34 11.376,35 11.376,36 11.376,37 11.376,38 0.556,39 3.178,40 134.122,41 0.875,42 2.651,44 1.766,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.122,53 0.306,54 5.053,55 11.837,56 159.509,57 3.168,58 4.443,59 4123,60 13.25,61 84.715,62 62,63 4246,64 4.366,65 0.258,66 0.272,67 1,68 8.998,69 3.04,70 6.405}
{0 CHEMBL222591,6 9.051,9 2,11 11.486,13 1,14 2,17 3.722,19 3.076,20 4.757,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 14,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.523,39 3.169,40 107.691,41 0.875,42 2.5,44 1.751,45 2,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.682,55 11.434,56 148.148,57 3.16,58 4.443,59 3656,60 12.5,61 78.064,62 57,63 3791,64 4.296,65 0.253,66 0.269,67 1,68 8.364,69 3.018,70 5.23}
{0 CHEMBL222592,6 9.051,9 1,11 6.132,13 1,14 1,17 3.722,19 3.223,20 4.757,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 14,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.485,39 3.19,40 109.691,41 0.875,42 2.5,44 1.743,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.682,55 11.563,56 148.148,57 3.168,58 4.443,59 3656,60 12,61 84.508,62 57,63 3791,64 4.296,65 0.263,66 0.279,67 1,68 8.947,69 3.018,70 5}
{0 CHEMBL222593,6 9.051,9 1,11 6.153,13 1,14 1,17 3.722,19 3.253,20 4.805,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 12,29 0.991,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.585,39 3.195,40 113.853,41 0.875,42 2.5,44 1.776,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.734,55 11.206,56 148.148,57 3.183,58 4.443,59 3656,60 12,61 81.71,62 57,63 3791,64 4.296,65 0.231,66 0.244,67 1,68 8.364,69 3.018,70 5.23}
{0 CHEMBL222798,6 9.193,9 1,11 6.058,13 1,14 1,17 3.916,19 3.085,20 4.856,22 2.5,23 2.026,24 6.252,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.783,31 3.434,32 30,33 11.359,34 11.359,35 11.359,36 11.359,37 11.359,38 0.556,39 3.178,40 130.131,41 0.876,42 2.601,44 1.764,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.034,53 0.306,54 4.785,55 11.863,56 158.796,57 3.168,58 4.443,59 4183,60 13.25,61 81.708,62 63,63 4310,64 4.364,65 0.264,66 0.279,67 1,68 8.986,69 3.108,70 6.48}
{0 CHEMBL222928,6 9.651,9 1,11 6.021,13 1,14 1,17 4.089,19 2.314,20 5.053,22 2.605,23 2.5,24 6.372,25 4.771,26 7592,27 6.799,28 13,29 1.031,30 49.55,31 3.555,32 34,33 12.344,34 12.344,35 12.344,36 12.344,37 12.344,38 0.713,39 3.178,40 136.877,41 1.5,42 2.657,44 1.776,45 1,46 3,47 17,48 3.258,49 3.258,50 25,51 3.932,52 37.312,53 0.678,54 5.053,55 12.846,56 181.236,57 3.168,58 4.443,59 5237,60 14.75,61 87.339,62 73,63 5344,64 4.496,65 0.284,66 0.302,67 1,68 9.897,69 3.158,70 6.63}
{0 CHEMBL222933,6 9.595,11 5.856,13 1,14 1,17 3.822,19 3.734,20 4.837,22 2.5,23 2.157,24 6.395,25 4.663,26 9075,27 6.939,28 15,29 1,30 43.931,31 3.434,32 30,33 11.414,34 11.414,35 11.414,36 11.414,37 11.414,38 0.556,39 3.275,40 109.549,41 1.098,42 2.5,44 1.682,45 1,46 4,47 20,48 3.178,49 3.178,50 23,51 3.85,52 34.602,53 0.5,54 4.76,55 11.805,56 157.38,57 3.286,58 6.107,59 3761,60 13,61 78.071,62 56,63 4047,64 4.294,65 0.255,66 0.272,68 8.618,69 2.994,70 5.38}
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{0 CHEMBL223829,6 8.638,9 1,11 6.067,13 1,14 1,17 3.577,19 3.279,20 4.879,22 2.118,23 2.023,24 6.151,25 4.551,26 4129,27 6.34,28 11,29 0.618,30 39.967,31 3.35,32 27.5,33 10.393,34 10.393,35 10.393,36 10.393,37 10.393,38 0.506,39 3.178,40 120.364,41 0.87,42 2.299,44 1.681,45 1,46 3,47 16,48 3.091,49 3.091,50 21,51 3.761,52 31.252,53 -0.118,54 4.879,55 11.141,56 138.475,57 3.168,58 5.13,59 3185,60 12,61 78.848,62 52,63 3305,64 4.223,65 0.288,66 0.306,67 1,68 8.594,69 2.936,70 7.185}
{0 CHEMBL223830,6 9.236,9 1,11 6.146,13 1,14 1,17 4.011,19 4.482,20 5.028,22 2.5,23 2.026,24 6.282,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.783,31 3.434,32 30,33 11.36,34 11.36,35 11.36,36 11.36,37 11.36,38 0.556,39 3.178,40 131.606,41 0.876,42 2.654,44 1.765,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.01,53 0.305,54 4.979,55 11.783,56 160.599,57 3.168,58 4.443,59 4064,60 13,61 85.055,62 61,63 4182,64 4.367,65 0.243,66 0.256,67 1,68 8.892,69 3.018,70 6.535}
{0 CHEMBL223836,6 9.203,9 1,11 6.008,13 1,14 1,17 4.011,19 2.158,20 5.018,22 2.5,23 2.025,24 6.256,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.835,31 3.434,32 30,33 11.376,34 11.376,35 11.376,36 11.376,37 11.376,38 0.556,39 3.178,40 125.421,41 0.875,42 2.651,44 1.763,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.122,53 0.306,54 5.018,55 11.92,56 159.509,57 3.168,58 4.443,59 4123,60 13.25,61 80.231,62 62,63 4246,64 4.366,65 0.277,66 0.293,67 1,68 8.364,69 3.04,70 7.495}
{0 CHEMBL226335,6 11.102,9 1,11 27.802,13 0.8,14 5,16 1,17 5.24,18 206.506,19 -3.006,20 6.07,21 1,22 3.349,23 3.281,24 7.286,25 5.352,26 98059,27 8.838,28 15,29 2.516,30 83.668,31 4.025,32 55,33 22.976,34 22.976,35 22.976,36 22.976,37 22.976,38 1.835,39 3.624,40 266.941,41 2.407,42 3.443,43 1,44 1.958,45 3,46 5,47 30,48 3.871,49 3.871,50 47,51 4.554,52 72.214,53 2.095,54 5.878,55 24.17,56 470.918,57 3.645,59 27394,60 28.75,61 138.997,62 207,63 28563,64 5.399,65 0.24,66 0.248,67 1,68 19.538,69 3.659,70 8.046}
{0 CHEMBL226636,1 2,2 2,3 124.177,4 4.862,5 1,6 11.697,7 4.186,8 2,9 4,10 2,11 22.782,12 1,13 0.6,14 4,15 2,16 4,17 4.536,18 140.604,19 3.762,20 5.226,21 1,22 3.113,23 2.806,24 6.858,25 5.112,26 84391,27 8.649,28 29,29 2.131,30 67.732,31 3.85,32 46,33 18.645,34 18.645,35 18.645,36 18.645,37 18.645,38 1.314,39 3.522,40 219.263,41 1.808,42 3.278,43 1,44 1.976,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.768,53 1.629,54 5.195,55 19.829,56 314.986,57 3.535,58 4.727,59 18745,60 23,61 129.27,62 185,63 20165,64 5.053,65 0.255,66 0.265,67 3,68 14.032,69 3.914,70 7.391}
{0 CHEMBL229429,6 9.15,13 1,17 3.948,19 0.885,20 4.502,22 2.2,23 1.478,24 5.969,25 4.603,26 2643,27 6.011,28 5,29 0.199,30 38.525,31 3.384,32 28.5,33 9.271,34 9.271,35 9.271,36 9.271,37 9.271,38 -0.34,39 2.979,40 91.284,41 0.348,42 2.739,44 1.516,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 29.62,53 -0.271,54 4.502,55 9.94,56 117.95,57 3.003,58 4.595,59 2873,60 10.75,61 67.093,62 56,63 2804,64 4.143,65 0.346,66 0.386,68 7.306,69 3.114,70 5}
{0 CHEMBL242265,6 9.051,9 1,11 6.091,13 1,14 1,17 3.722,19 3.165,20 4.807,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 14,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.178,40 116.363,41 0.875,42 2.5,44 1.763,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.735,55 11.316,56 148.148,57 3.168,58 4.443,59 3656,60 12.5,61 80.014,62 57,63 3791,64 4.296,65 0.251,66 0.265,67 1,68 8.364,69 3.018,70 6.48}
{0 CHEMBL242693,6 9.651,9 1,11 6.021,13 1,14 1,17 4.089,19 2.314,20 5.053,22 2.605,23 2.5,24 6.372,25 4.771,26 7592,27 6.799,28 13,29 1.031,30 49.55,31 3.555,32 34,33 12.344,34 12.344,35 12.344,36 12.344,37 12.344,38 0.713,39 3.178,40 136.877,41 1.5,42 2.657,44 1.776,45 1,46 3,47 17,48 3.258,49 3.258,50 25,51 3.932,52 37.312,53 0.678,54 5.053,55 12.846,56 181.236,57 3.168,58 4.443,59 5237,60 14.75,61 87.339,62 73,63 5344,64 4.496,65 0.284,66 0.302,67 1,68 9.897,69 3.158,70 6.59}
{0 CHEMBL246228,1 1,2 1,3 115.476,4 2.35,5 1,6 12.271,8 1,9 3,11 10.9,13 0.6,14 2,16 5,17 4.507,18 126.236,19 6.36,20 5.171,22 3.077,23 2.903,24 6.843,25 5.07,26 51052,27 8.324,28 16,29 1.477,30 67.532,31 3.818,32 44.5,33 16.684,34 16.684,35 16.684,36 16.684,37 16.684,38 1.134,39 3.359,40 202.855,41 2.07,42 3.184,43 1,44 1.753,45 4,46 5,47 28,48 3.555,49 3.555,50 34,51 4.234,52 51.683,53 1.522,54 5.133,55 17.618,56 282.483,57 3.379,58 5.283,59 11531,60 21.25,61 110.88,62 125,63 12428,64 4.879,65 0.273,66 0.289,67 2,68 13.161,69 3.526,70 7.721}
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{0 CHEMBL246639,1 1,2 1,3 134.167,4 2.452,5 1,6 12.934,8 1,9 5,11 21.993,13 0.6,14 4,17 4.735,18 147.662,19 8.644,20 5.421,22 3.135,23 3.061,24 6.934,25 5.162,26 77447,27 8.66,28 27,29 1.802,30 73.586,31 3.912,32 49,33 18.532,34 18.532,35 18.532,36 18.532,37 18.532,38 1.297,39 3.375,40 202.317,41 2.17,42 3.262,43 1,44 1.993,45 2,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.648,53 1.647,54 5.104,55 19.421,56 332.678,57 3.393,58 4.727,59 15943,60 22.25,61 132.23,62 152,63 16911,64 5.057,65 0.226,66 0.238,67 4,68 14.509,69 3.668,70 7.721}
{0 CHEMBL246852,1 1,2 1,3 140.025,4 2.297,5 1,6 13.231,8 1,9 4,11 16.357,13 0.6,14 3,17 4.572,18 156.016,19 4.64,20 5.389,22 3.19,23 3.082,24 7.098,25 5.228,26 93687,27 8.814,28 24,29 1.806,30 77.677,31 3.951,32 51,33 19.583,34 19.583,35 19.583,36 19.583,37 19.583,38 1.531,39 3.375,40 213.595,41 2.25,42 3.387,43 1,44 1.999,45 2,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 61.16,53 1.833,54 5.224,55 20.766,56 365.138,57 3.393,58 4.727,59 18020,60 23.5,61 131.741,62 164,63 18973,64 5.142,65 0.256,66 0.27,67 3,68 14.234,69 3.618,70 7.745}
{0 CHEMBL247664,1 1,2 1,3 143.336,4 2.374,5 1,6 11.606,8 1,9 4,11 16.43,13 0.5,14 3,17 4.572,18 152.517,19 5.907,20 5.293,22 3.143,23 3.063,24 6.963,25 5.13,26 50508,27 8.321,28 22,29 1.805,30 69.276,31 3.85,32 46,33 18.073,34 18.073,35 18.073,36 18.073,37 18.073,38 1.17,39 3.399,40 237.338,41 2.166,42 3.29,43 1,44 1.951,45 3,46 4,47 23,48 3.638,49 3.638,50 37,51 4.317,52 56.117,53 1.645,54 5.14,55 18.844,56 321.914,57 3.418,58 4.727,59 15768,60 22.25,61 131.114,62 155,63 16148,64 5.055,65 0.24,66 0.249,67 3,68 15.385,69 3.658,70 8.377}
{0 CHEMBL247665,1 2,2 2,3 165.613,4 6.985,5 1,6 12.474,8 3,9 4,11 16.645,13 0.667,14 3,16 1,17 4.805,18 178.831,19 6.269,20 5.385,22 3.19,23 3.082,24 7.091,25 5.268,26 153128,27 9.175,28 29,29 2.065,30 79.835,31 3.989,32 53,33 21.533,34 21.533,35 21.533,36 21.533,37 21.533,38 1.707,39 3.552,40 251.439,41 2.192,42 3.415,43 1,44 2,45 4,46 6,47 34,48 3.807,49 3.807,50 44,51 4.489,52 66.264,53 2,54 5.253,55 22.54,56 401.9,57 3.551,58 5.283,59 24617,60 26.5,61 151.996,62 200,63 26770,64 5.252,65 0.224,66 0.233,67 3,68 16.886,69 3.863,70 8.456}
{0 CHEMBL25467,1 1,2 1,3 41.876,4 2.352,5 1,6 8.935,7 1.969,8 1,10 1,13 0.333,15 1,17 3.97,18 46.202,19 4.907,20 4.543,22 1.771,23 1.123,24 6.351,25 4.516,26 5867,27 6.704,28 12,29 0.101,30 37.433,31 3.258,32 25,33 9.303,34 9.303,35 9.303,36 9.303,37 9.303,38 -0.172,39 3.109,40 109.441,41 -0.114,42 2.177,43 1,44 1.666,46 3,47 18,48 2.996,49 2.996,50 19,51 3.664,52 29.348,53 -0.424,54 4.543,55 10.015,56 130.955,57 3.077,58 4.949,59 1979,60 10.5,61 77.563,62 38,63 1957,64 4.064,65 0.287,66 0.306,68 8.555,69 2.509,70 7.678}
{0 CHEMBL25554,6 9.259,9 5,11 28.029,13 0.667,14 5,16 1,17 3.974,18 119.995,19 3.501,20 4.845,22 2.616,23 2.105,24 6.351,25 4.727,26 11768,27 7.034,28 22,29 1.16,30 47.407,31 3.526,32 33,33 13.224,34 13.224,35 13.224,36 13.224,37 13.224,38 0.649,39 3.228,40 140.953,41 1.088,42 2.856,43 1,44 1.83,45 3,46 3,47 18,48 3.332,49 3.332,50 27,51 4.007,52 38.561,53 0.689,54 4.679,55 14.301,56 190.638,57 3.23,59 7830,60 16.5,61 92.889,62 110,63 8143,64 4.623,65 0.257,66 0.268,67 5,68 10.053,69 3.454,70 9.097}
{0 CHEMBL260374,4 2.34,6 7.242,8 1,13 1,17 3.584,19 1.204,20 4.505,22 2.118,23 2,24 6.129,25 4.503,26 4939,27 6.465,28 5,29 0.618,30 36.755,31 3.277,32 25.5,33 10.882,34 10.882,35 10.882,36 10.882,37 10.882,38 0.564,39 3.253,40 128.125,41 1,42 2.14,44 1.707,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.738,54 4.505,55 11.502,56 143.568,57 3.189,58 4.443,59 4073,60 13.25,61 86.179,62 67,63 4275,64 4.293,65 0.257,66 0.265,68 8.807,69 3.23,70 6.46}
{0 CHEMBL262901,1 1,2 1,4 4.905,6 11.227,8 2,13 0.75,17 4.307,18 126.813,19 7.079,20 5.207,22 2.654,23 2.547,24 6.737,25 4.965,26 25887,27 7.758,28 17,29 1.24,30 59.842,31 3.701,32 39.5,33 15.244,34 15.244,35 15.244,36 15.244,37 15.244,38 1.119,39 3.528,40 186.088,41 1.563,42 3.317,43 1,44 1.904,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.154,53 1.017,54 5.207,55 15.798,56 247.971,57 3.52,59 9581,60 18,61 118.036,62 115,63 10077,64 4.78,65 0.21,66 0.219,68 12.622,69 3.455,70 7.558}
{0 CHEMBL263424,1 2,2 2,3 128.88,4 4.883,5 1,6 11.718,7 2.062,8 2,9 4,10 1,11 22.823,12 1,13 0.6,14 4,15 1,16 4,17 4.844,18 146.058,19 3.651,20 5.376,21 1,22 3.15,23 2.984,24 6.907,25 5.142,26 87790,27 8.69,28 28,29 2.132,30 69.71,31 3.871,32 47,33 19.162,34 19.162,35 19.162,36 19.162,37 19.162,38 1.331,39 3.538,40 228.051,41 2.037,42 3.268,43 1,44 1.977,45 3,46 5,47 29,48 3.689,49 3.689,50 39,51 4.369,52 58.353,53 1.629,54 5.346,55 20.334,56 330.484,57 3.548,58 4.727,59 19756,60 23.5,61 133.552,62 191,63 21176,64 5.098,65 0.249,66 0.259,67 3,68 14.678,69 3.884,70 9.699}
{0 CHEMBL266613,6 7.258,9 1,11 5.997,13 1,14 1,17 3.499,19 2.212,20 4.5,22 1.684,23 1.097,24 5.999,25 4.35,26 1995,27 5.823,28 9,29 -0.57,30 32.086,31 3.135,32 22,33 8.873,34 8.873,35 8.873,36 8.873,37 8.873,38 -0.771,39 3.178,40 113.392,41 -0.134,42 2.022,44 1.687,45 1,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.729,53 -0.5,54 4.5,55 9.296,56 112.378,57 3.168,58 4.443,59 2255,60 10.5,61 69.069,62 44,63 2193,64 4.064,65 0.256,66 0.265,67 1,68 7.21,69 2.803,70 6.37}
{0 CHEMBL267464,1 1,2 1,4 4.84,6 11.031,8 2,13 0.75,17 4.133,18 115.485,19 5.838,20 4.888,22 2.634,23 2.5,24 6.611,25 4.892,26 20699,27 7.57,28 19,29 1.146,30 56.231,31 3.651,32 37.5,33 14.293,34 14.293,35 14.293,36 14.293,37 14.293,38 1,39 3.485,40 164.181,41 1.5,42 2.917,43 1,44 1.887,45 1,46 4,47 24,48 3.401,49 3.401,50 29,51 4.078,52 43.651,53 0.778,54 4.888,55 14.851,56 222.697,57 3.475,59 7932,60 17,61 108.577,62 101,63 8431,64 4.672,65 0.219,66 0.23,68 11.481,69 3.37,70 7.456}
{0 CHEMBL268217,1 1,2 1,4 4.87,6 11.244,8 2,13 0.75,17 4.28,18 128.465,19 3.96,20 5.124,22 2.732,23 2.609,24 6.792,25 4.965,26 25987,27 7.751,28 19,29 1.137,30 59.312,31 3.701,32 39.5,33 15.213,34 15.213,35 15.213,36 15.213,37 15.213,38 1,39 3.439,40 191.686,41 1.617,42 2.913,43 1,44 1.914,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.94,53 0.975,54 5.124,55 15.787,56 247.816,57 3.437,59 9565,60 18.25,61 114.816,62 115,63 10069,64 4.783,65 0.231,66 0.242,68 12.566,69 3.389,70 7.921}
{0 CHEMBL268258,1 1,2 1,3 108.231,4 2.464,5 1,6 10.553,8 1,9 2,11 5.577,13 0.5,14 1,17 4.316,18 112.854,19 5.3,20 5.322,22 2.66,23 2.589,24 6.561,25 4.868,26 20931,27 7.514,28 17,29 1.161,30 54.973,31 3.638,32 37,33 14.274,34 14.274,35 14.274,36 14.274,37 14.274,38 1.112,39 3.408,40 168.463,41 1.624,42 2.949,43 1,44 1.825,46 4,47 23,48 3.401,49 3.401,50 29,51 4.078,52 43.259,53 0.773,54 5.322,55 14.615,56 217.183,57 3.398,58 4.595,59 8334,60 16.25,61 106.339,62 106,63 8956,64 4.677,65 0.217,66 0.228,67 1,68 11.166,69 3.436,70 8.678}
{0 CHEMBL268758,1 1,2 1,3 143.191,4 5.958,5 1,6 11.357,8 3,9 1,11 5.496,13 0.8,14 1,16 1,17 4.597,19 5.047,20 5.26,22 3.07,23 2.917,24 6.887,25 5.131,26 58860,27 8.374,28 24,29 1.682,30 69.918,31 3.882,32 47.5,33 18.192,34 18.192,35 18.192,36 18.192,37 18.192,38 1.181,39 3.583,40 204.459,41 2.085,42 3.177,44 1.932,45 3,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 56.018,53 2,54 5.26,55 19.19,56 312.804,57 3.584,58 4.727,59 15781,60 22.25,61 130.771,62 157,63 17060,64 5.017,65 0.262,66 0.277,67 1,68 14.738,69 3.673,70 7.127}
{0 CHEMBL269538,3 79.753,5 2,6 9.765,9 1,11 5.213,13 0.333,14 1,17 3.5,19 1.886,20 4.468,22 1.599,23 1.084,24 6.236,25 4.497,26 4686,27 6.515,28 7,29 -0.392,30 39.006,31 3.277,32 25.5,33 8.82,34 8.82,35 8.82,36 8.82,37 8.82,38 -0.633,39 3.023,40 95.487,41 -0.378,42 2.018,44 1.544,46 3,47 17,48 2.944,49 2.944,50 18,51 3.611,52 27.254,53 -0.415,54 4.468,55 9.203,56 116.448,57 3.033,58 4.844,59 1850,60 10.5,61 62.37,62 39,63 1856,64 3.971,65 0.283,66 0.308,67 1,68 6.983,69 2.696,70 6.092}
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{0 CHEMBL276417,1 1,2 1,4 4.765,6 11.25,8 2,13 0.75,17 4.522,18 127.31,19 3.075,20 5.247,22 2.639,23 2.5,24 6.691,25 4.951,26 26071,27 7.757,28 19,29 1.193,30 59.107,31 3.701,32 39.5,33 15.208,34 15.208,35 15.208,36 15.208,37 15.208,38 1,39 3.437,40 191.815,41 1.5,42 3.16,43 1,44 1.901,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.506,53 1.037,54 5.247,55 15.913,56 246.713,57 3.441,59 9550,60 18.5,61 110.395,62 114,63 10049,64 4.78,65 0.255,66 0.268,68 11.662,69 3.413,70 7.367}
{0 CHEMBL279436,1 1,2 1,4 2.458,6 11.346,8 1,13 1,17 4.596,19 3.219,20 5.273,22 3.351,23 3.274,24 7.22,25 5.418,26 66252,27 8.46,28 22,29 2.154,30 92.35,31 4.159,32 63,33 23.62,34 23.62,35 23.62,36 23.62,37 23.62,38 1.667,39 3.718,40 292.774,41 2.393,42 3.517,44 1.992,46 5,47 30,48 3.892,49 3.892,50 48,51 4.575,52 72.867,53 2.5,54 5.248,55 23.988,56 459.27,57 3.733,59 33673,60 27.25,61 175.406,62 263,63 35614,64 5.436,65 0.224,66 0.234,68 19.193,69 3.848,70 6.52}
{0 CHEMBL279516,1 1,2 1,3 117.408,4 2.507,5 1,6 10.239,8 1,13 0.75,17 4.21,19 2.134,20 5.045,22 2.651,23 2.535,24 6.463,25 4.875,26 18747,27 7.418,28 16,29 1.077,30 55.638,31 3.664,32 38,33 14.342,34 14.342,35 14.342,36 14.342,37 14.342,38 1,39 3.392,40 170.684,41 1.5,42 3.044,44 1.966,46 4,47 23,48 3.401,49 3.401,50 29,51 4.078,52 43.306,53 0.753,54 5.045,55 14.652,56 209.708,57 3.382,58 4.727,59 9041,60 16.5,61 105.44,62 117,63 9774,64 4.674,65 0.231,66 0.243,68 11.121,69 3.584,70 6.322}
{0 CHEMBL27979,1 1,2 1,4 4.454,6 10.029,8 2,9 1,11 11.286,13 1,14 2,16 1,17 4.22,19 3.858,20 4.891,22 2.674,23 2.604,24 6.653,25 4.977,26 27886,27 7.713,28 22,29 1.494,30 60.023,31 3.738,32 41,33 16.744,34 16.744,35 16.744,36 16.744,37 16.744,38 1.054,39 3.523,40 198.223,41 1.597,42 2.732,44 1.915,45 1,46 4,47 23,48 3.555,49 3.555,50 34,51 4.234,52 50.696,53 1.545,54 4.891,55 17.51,56 260.766,57 3.536,58 4.727,59 15243,60 19.75,61 124.367,62 168,63 16229,64 4.924,65 0.221,66 0.229,67 1,68 13.193,69 3.799,70 5.79}
{0 CHEMBL282575,3 82.751,5 1,6 10.438,9 1,11 5.63,13 0.4,14 1,17 4.111,18 162.852,19 3.996,20 5.365,22 2.696,23 2.576,24 6.94,25 4.99,26 49880,27 8.326,28 9,29 1.324,30 58.84,31 3.689,32 39,33 15.754,34 15.754,35 15.754,36 15.754,37 15.754,38 1.051,39 3.376,40 180.892,41 1.568,42 3.025,43 2,44 1.892,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 49.69,53 0.886,54 5.365,55 15.968,56 262.409,57 3.37,58 4.844,59 9692,60 17,61 109.229,62 114,63 10545,64 4.776,65 0.205,66 0.214,68 12.749,69 3.462,70 4.608}
{0 CHEMBL284103,1 1,2 1,4 2.471,6 11.361,8 1,13 1,17 4.736,19 3.3,20 5.307,22 3.38,23 3.276,24 7.233,25 5.432,26 68781,27 8.497,28 25,29 2.154,30 93.286,31 4.174,32 64,33 24.041,34 24.041,35 24.041,36 24.041,37 24.041,38 1.706,39 3.719,40 299.749,41 2.399,42 3.517,44 1.994,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 73.746,53 2.5,54 5.284,55 24.458,56 474.063,57 3.735,59 35445,60 28,61 180.303,62 269,63 37407,64 5.468,65 0.22,66 0.23,68 19.335,69 3.867,70 6.49}
{0 CHEMBL284213,3 43.525,5 1,6 7.74,13 0.667,17 3.325,19 4.266,20 4.47,22 1.71,23 0.593,24 5.984,25 4.297,26 2518,27 6.009,28 1,29 -0.778,30 31.166,31 3.091,32 21,33 7.926,34 7.926,35 7.926,36 7.926,37 7.926,38 -0.929,39 2.893,40 92.56,41 -0.633,42 2.118,44 1.544,46 3,47 16,48 2.833,49 2.833,50 16,51 3.497,52 24.399,53 -0.78,54 4.47,55 8.441,56 94.821,57 2.864,58 5.209,59 1328,60 9,61 59.523,62 28,63 1372,64 3.787,65 0.298,66 0.32,68 6.577,69 2.458,70 6.764}
{0 CHEMBL284470,1 1,2 1,4 2.52,6 11.418,8 1,11 5.158,13 1,14 1,16 2,17 4.491,19 3.311,20 5.434,22 3.474,23 3.278,24 7.239,25 5.445,26 73328,27 8.521,28 25,29 2.15,30 94.866,31 4.19,32 65,33 24.541,34 24.541,35 24.541,36 24.541,37 24.541,38 1.72,39 3.717,40 312.858,41 2.404,42 3.517,44 1.985,46 5,47 30,48 3.932,49 3.932,50 50,51 4.615,52 75.264,53 2.5,54 5.434,55 24.986,56 482.433,57 3.733,59 38860,60 28.5,61 182.31,62 292,63 41052,64 5.501,65 0.218,66 0.228,68 19.688,69 3.929,70 6.55}
{0 CHEMBL284795,3 52.053,5 1,6 8.377,7 2.317,10 1,13 0.667,15 1,17 3.328,19 6.917,20 4.457,22 2.1,23 0.757,24 6.248,25 4.46,26 3516,27 6.295,28 1,29 -0.212,30 36.548,31 3.219,32 24,33 8.883,34 8.883,35 8.883,36 8.883,37 8.883,38 -0.533,39 3.067,40 103.233,41 -0.546,42 2.118,44 1.633,46 3,47 16,48 2.944,49 2.944,50 18,51 3.611,52 28.183,53 -0.35,54 4.457,55 9.422,56 116.921,57 3.045,58 5.352,59 1802,60 10,61 70.255,62 35,63 1818,64 3.977,65 0.278,66 0.298,68 7.833,69 2.555,70 7.585}
{0 CHEMBL288772,1 1,2 1,4 3.73,6 10.598,8 2,13 1,16 1,17 4.985,19 -0.717,20 5.565,22 3.38,23 3.2,24 6.987,25 5.247,26 46691,27 8.127,28 17,29 2.115,30 74.758,31 3.97,32 52,33 20.063,34 20.063,35 20.063,36 20.063,37 20.063,38 1.476,39 3.626,40 254.165,41 2.263,42 3.532,44 1.928,46 4,47 24,48 3.738,49 3.738,50 41,51 4.419,52 62.819,53 2,54 5.565,55 20.756,56 360.591,57 3.628,59 23578,60 24,61 141.085,62 216,63 24577,64 5.223,65 0.255,66 0.266,68 14.73,69 3.87,70 5.415}
{0 CHEMBL289480,6 5.553,9 1,11 5.378,13 1,14 1,17 2.624,20 3.479,22 0.586,24 5.922,25 4.111,26 878,27 5.298,28 5,29 -0.937,30 23.489,31 2.833,32 16,33 7.432,34 7.432,35 7.432,36 7.432,37 7.432,38 -1,39 2.79,40 72.278,41 -1,42 0.789,44 1.405,46 3,47 11,48 2.773,49 2.773,50 15,51 3.434,52 22.458,53 -1,54 3.479,55 7.878,56 80.876,57 2.796,58 6.33,59 1216,60 9,61 49.525,62 27,63 1268,64 3.677,65 0.287,66 0.296,68 5.725,69 2.464,70 6.63}
{0 CHEMBL290106,6 8.478,13 1,17 3.301,19 1.552,20 3.684,22 1.565,23 1.171,24 6.29,25 4.543,26 3042,27 6.176,28 4,29 0.349,30 39.655,31 3.296,32 26,33 9.803,34 9.803,35 9.803,36 9.803,37 9.803,38 -0.283,39 2.855,40 76.096,41 -0.183,42 1.806,44 1.104,46 2,47 12,48 3.045,49 3.045,50 20,51 3.714,52 30.26,53 -0.178,54 3.684,55 11.26,56 136.828,57 2.84,59 2870,60 11.5,61 81.35,62 52,63 2744,64 4.226,65 0.381,66 0.41,68 10.782,69 2.817,70 5.357}
{0 CHEMBL290860,1 1,2 1,4 2.424,6 11.412,8 1,9 1,11 10.927,13 1,14 2,16 4,17 4.736,19 3.186,20 5.342,22 3.471,23 3.277,24 7.233,25 5.432,26 68781,27 8.497,28 25,29 2.151,30 93.589,31 4.174,32 64,33 24.041,34 24.041,35 24.041,36 24.041,37 24.041,38 1.666,39 3.712,40 298.045,41 2.403,42 3.519,44 1.976,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 74.031,53 2.5,54 5.342,55 24.596,56 474.063,57 3.73,59 35445,60 28,61 175.716,62 269,63 37407,64 5.468,65 0.222,66 0.232,68 19.335,69 3.867,70 6.523}
{0 CHEMBL291166,1 1,2 1,4 3.661,6 10.196,8 2,13 1,16 1,17 4.88,19 -1.113,20 5.449,22 3.273,23 3.2,24 7.074,25 5.257,26 41522,27 8.055,28 18,29 2.115,30 74.743,31 3.97,32 52,33 19.981,34 19.981,35 19.981,36 19.981,37 19.981,38 1.461,39 3.628,40 251.879,41 2.211,42 3.456,44 1.924,46 4,47 24,48 3.738,49 3.738,50 41,51 4.419,52 63.241,53 2,54 5.449,55 20.671,56 364.045,57 3.631,59 23162,60 24,61 140.519,62 212,63 24137,64 5.223,65 0.255,66 0.266,68 14.826,69 3.858,70 5.96}
{0 CHEMBL295001,1 1,2 1,4 2.124,6 10.309,8 1,13 1,17 4.807,19 -2.894,20 5.548,22 3.352,23 3.195,24 7.069,25 5.257,26 43936,27 8.088,28 14,29 2.526,30 74.903,31 3.97,32 52,33 20.038,34 20.038,35 20.038,36 20.038,37 20.038,38 1.409,39 3.625,40 246.717,41 2.257,42 3.458,44 1.924,46 4,47 24,48 3.738,49 3.738,50 41,51 4.419,52 62.906,53 2,54 5.548,55 20.759,56 363.407,57 3.63,59 23345,60 24,61 135.839,62 217,63 24325,64 5.225,65 0.268,66 0.28,68 14.449,69 3.858,70 5.7}
{0 CHEMBL295186,6 8.09,9 1,11 5.56,13 0.75,14 1,17 3.822,19 1.464,20 4.916,22 2.23,23 1.782,24 6.34,25 4.59,26 8372,27 6.914,28 10,29 0.672,30 40.148,31 3.332,32 27,33 11.426,34 11.426,35 11.426,36 11.426,37 11.426,38 0.523,39 3.151,40 129.748,41 0.67,42 2.5,44 1.709,46 4,47 21,48 3.178,49 3.178,50 23,51 3.85,52 34.793,53 0.019,54 4.916,55 11.872,56 157.425,57 3.131,58 5.733,59 3776,60 13,61 78.769,62 56,63 4076,64 4.293,65 0.241,66 0.251,68 8.787,69 2.983,70 7.48}
{0 CHEMBL295395,1 1,2 1,4 3.523,6 10.329,8 2,13 1,16 1,17 5.132,19 -2.871,20 5.565,22 3.352,23 3.201,24 7.125,25 5.283,26 45741,27 8.132,28 17,29 2.563,30 76.608,31 3.989,32 53,33 20.469,34 20.469,35 20.469,36 20.469,37 20.469,38 1.471,39 3.628,40 253.672,41 2.265,42 3.458,44 1.924,46 4,47 24,48 3.761,49 3.761,50 42,51 4.443,52 64.808,53 2,54 5.565,55 21.258,56 379.47,57 3.632,59 24638,60 24.75,61 140.735,62 222,63 25602,64 5.262,65 0.262,66 0.274,68 14.826,69 3.858,70 5.72}
{0 CHEMBL296419,1 1,2 1,3 156.74,4 2.546,5 1,6 12.382,8 1,9 1,11 5.251,13 0.8,14 1,17 4.617,19 3.983,20 5.303,22 3.174,23 3.062,24 6.772,25 5.139,26 59551,27 8.349,28 24,29 1.382,30 72.475,31 3.912,32 49,33 18.735,34 18.735,35 18.735,36 18.735,37 18.735,38 1.336,39 3.684,40 221.601,41 2.156,42 3.38,44 1.976,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.313,53 1.941,54 5.303,55 19.611,56 313.278,57 3.682,58 4.844,59 18078,60 22.25,61 135.643,62 173,63 19481,64 5.053,65 0.232,66 0.243,67 1,68 14.103,69 3.82,70 5.708}
{0 CHEMBL296660,6 6.452,9 1,11 5.488,13 0.667,14 1,17 3.453,20 4.754,22 1.647,23 1.273,24 6.138,25 4.277,26 3155,27 6.207,28 5,29 -0.362,30 28.257,31 2.996,32 19,33 8.891,34 8.891,35 8.891,36 8.891,37 8.891,38 -0.521,39 2.982,40 90.818,41 0.241,42 1.768,44 1.674,46 3,47 15,48 2.944,49 2.944,50 18,51 3.611,52 27.086,53 -0.663,54 4.754,55 9.338,56 112.03,57 2.968,58 5.733,59 1966,60 10.5,61 63.275,62 37,63 2001,64 3.97,65 0.252,66 0.257,68 6.836,69 2.71,70 6.91}
{0 CHEMBL297228,6 7.574,9 1,11 5.479,13 1,14 1,17 3.281,19 1.438,20 4.722,22 2.151,23 1.758,24 6.023,25 4.425,26 4107,27 6.326,28 10,29 0.273,30 34.467,31 3.219,32 24,33 9.932,34 9.932,35 9.932,36 9.932,37 9.932,39 3.015,40 114.899,41 0.665,42 2.198,44 1.668,46 3,47 17,48 3.045,49 3.045,50 20,51 3.714,52 29.285,53 -0.304,54 4.722,55 10.383,56 128.186,57 3.001,58 4.443,59 2746,60 11.5,61 71.551,62 47,63 2861,64 4.144,65 0.252,66 0.263,68 7.493,69 2.886,70 7.28}
{0 CHEMBL297752,6 5.894,9 1,11 5.421,13 1,14 1,17 3.19,20 4.649,22 1.137,23 0.602,24 5.707,25 4.094,26 1592,27 5.638,28 5,29 -0.778,30 23.903,31 2.89,32 17,33 7.903,34 7.903,35 7.903,36 7.903,37 7.903,38 -0.903,39 2.994,40 85.001,41 -0.447,42 1.758,44 1.668,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 22.743,53 -0.945,54 4.649,55 8.355,56 92.058,57 2.982,58 4.443,59 1650,60 9.5,61 60.658,62 35,63 1607,64 3.879,65 0.254,66 0.257,68 5.979,69 2.749,70 7.61}
{0 CHEMBL297827,6 8.735,7 4.61,9 1,10 2,11 5.566,13 0.75,14 1,15 2,17 4.005,19 1.29,20 5.089,22 2.5,23 2.227,24 6.365,25 4.677,26 10483,27 7.036,28 12,29 1,30 43.746,31 3.434,32 30,33 12.409,34 12.409,35 12.409,36 12.409,37 12.409,38 0.649,39 3.391,40 149.313,41 1.193,42 2.547,44 1.73,46 4,47 21,48 3.258,49 3.258,50 25,51 3.932,52 37.64,53 0.5,54 5.089,55 12.855,56 172.539,57 3.374,58 5.733,59 5278,60 14,61 89.088,62 73,63 5710,64 4.43,65 0.232,66 0.241,68 9.482,69 3.225,70 7.07}
{0 CHEMBL298936,6 7.847,9 1,11 5.593,13 0.667,14 1,17 3.852,18 64.971,19 4.244,20 4.658,22 1.784,23 1.488,24 6.116,25 4.413,26 4154,27 6.363,28 10,29 0.003,30 34.293,31 3.178,32 23,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.355,39 3.025,40 113.656,41 0.344,42 1.995,43 1,44 1.681,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.233,53 -0.404,54 4.658,55 10.027,56 120.914,57 3.007,58 4.443,59 2354,60 12,61 69.208,62 44,63 2448,64 4.062,65 0.295,66 0.309,67 1,68 7.291,69 2.848,70 8.051}
{0 CHEMBL299879,6 10.153,13 0.75,16 2,17 4.741,18 181.349,19 2.35,20 5.469,22 2.927,23 2.848,24 6.808,25 5.1,26 36016,27 7.879,28 14,29 1.435,30 67.408,31 3.85,32 46,33 17.771,34 17.771,35 17.771,36 17.771,37 17.771,38 1.201,39 3.569,40 215.769,41 1.972,42 3.184,43 1,44 2.043,46 4,47 24,48 3.611,49 3.611,50 36,51 4.29,52 53.396,53 1.769,54 5.287,55 18.206,56 287.578,57 3.516,59 17583,60 20,61 130.693,62 186,63 18682,64 5.019,65 0.249,66 0.26,68 15.932,69 3.824,70 7}
{0 CHEMBL30008,1 2,2 2,4 4.834,6 9.967,7 4.37,8 2,10 2,13 1,15 2,17 3.72,19 2.781,20 4.593,22 2.974,23 2.554,24 6.567,25 4.994,26 15759,27 7.385,28 26,29 1.146,30 62.142,31 3.784,32 43,33 16.314,34 16.314,35 16.314,36 16.314,37 16.314,38 1,39 3.605,40 164.449,41 1.5,42 3.13,44 1.933,45 1,46 4,47 24,48 3.526,49 3.526,50 33,51 4.205,52 48.909,53 1.249,54 4.593,55 16.923,56 259.255,57 3.612,59 12189,60 18.5,61 120.298,62 130,63 12913,64 4.871,65 0.224,66 0.236,68 11.589,69 3.565,70 6.654}
{0 CHEMBL302698,6 7.882,13 1,17 3.332,19 -1.156,20 4.629,22 1.861,23 1.634,24 6.532,25 4.659,26 3344,27 6.254,28 12,29 0.744,30 42.313,31 3.367,32 28,33 10.863,34 10.863,35 10.863,36 10.863,37 10.863,38 -0.283,39 3.068,40 130.731,41 0.581,42 2.316,44 1.713,46 2,47 11,48 3.135,49 3.135,50 22,51 3.807,52 33.823,54 4.629,55 12.075,56 155.908,57 3.083,58 4.443,59 3846,60 13.75,61 73.919,62 59,63 3705,64 4.364,65 0.38,66 0.399,68 9.747,69 2.892,70 5.15}
{0 CHEMBL305660,1 1,2 1,4 2.482,6 9.727,8 1,11 6.665,13 1,14 1,16 1,17 4.193,19 4.504,20 4.787,21 1,22 3.033,23 2.781,24 6.806,25 5.127,26 25252,27 7.676,28 22,29 1.422,30 70.13,31 3.892,32 48,33 18.783,34 18.783,35 18.783,36 18.783,37 18.783,38 1.317,39 3.694,40 217.778,41 1.908,42 3.207,44 1.996,46 4,47 24,48 3.664,49 3.664,50 38,51 4.344,52 57.234,53 2.003,54 4.787,55 19.104,56 310.834,57 3.693,59 20110,60 20.5,61 145.381,62 201,63 21146,64 5.102,65 0.192,66 0.199,68 15.468,69 3.814,70 6.56}
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{0 CHEMBL306377,6 7.841,9 1,11 5.535,13 0.667,14 1,17 3.617,18 62.315,19 2.878,20 4.786,22 2.057,23 1.169,24 6.004,25 4.388,26 4462,27 6.387,28 9,29 -0.228,30 33.344,31 3.178,32 23,33 9.432,34 9.432,35 9.432,36 9.432,37 9.432,38 -0.502,39 3.061,40 108.664,41 0.046,42 2.158,43 1,44 1.689,46 3,47 18,48 2.996,49 2.996,50 19,51 3.664,52 27.841,53 -0.413,54 4.729,55 9.877,56 119.358,57 3.057,59 2367,60 11,61 67.63,62 43,63 2471,64 4.064,65 0.262,66 0.274,68 7.139,69 2.872,70 7.34}
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{0 CHEMBL30739,3 52.053,5 1,6 8.038,13 0.667,17 3.328,19 7.373,20 4.515,22 2.018,23 0.728,24 6.248,25 4.425,26 3516,27 6.295,29 -0.213,30 35.233,31 3.178,32 23,33 8.883,34 8.883,35 8.883,36 8.883,37 8.883,38 -0.533,39 3.071,40 101.894,41 -0.529,42 2.118,44 1.64,46 3,47 16,48 2.944,49 2.944,50 18,51 3.611,52 28.032,53 -0.351,54 4.328,55 9.422,56 116.921,57 3.049,58 5.352,59 1802,60 10,61 69.379,62 35,63 1818,64 3.977,65 0.271,66 0.287,68 7.833,69 2.555,70 6.688}
{0 CHEMBL308570,6 8.346,9 2,11 11.137,13 0.667,14 2,17 3.852,18 64.971,19 4.319,20 4.615,22 1.995,23 1.53,24 6.116,25 4.451,26 4154,27 6.363,28 6,29 0.117,30 36.434,31 3.239,32 24.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.347,39 3.019,40 109.555,41 0.355,42 2.118,43 1,44 1.644,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.408,53 -0.141,54 4.482,55 10.139,56 120.914,57 3.001,58 4.443,59 2354,60 12,61 62.971,62 44,63 2448,64 4.062,65 0.314,66 0.335,67 2,68 7.291,69 2.848,70 7.721}
{0 CHEMBL308863,6 7.843,9 2,11 10.562,13 1,14 2,17 3.69,19 4.042,20 4.554,22 1.7,23 1.244,24 6.052,25 4.391,26 2049,27 5.886,28 8,29 0.117,30 34.067,31 3.199,32 23.5,33 8.727,34 8.727,35 8.727,36 8.727,37 8.727,38 -0.37,39 2.993,40 113.471,41 0.082,42 1.997,44 1.577,45 1,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.032,53 -0.456,54 4.367,55 9.406,56 113.823,57 3.004,58 4.443,59 2219,60 11.5,61 64.94,62 44,63 2137,64 4.058,65 0.306,66 0.323,67 2,68 6.823,69 2.836,70 5.824}
{0 CHEMBL310335,6 5.894,9 1,11 5.421,13 1,14 1,17 3.19,20 4.649,22 1.137,23 0.602,24 5.707,25 4.094,26 1592,27 5.638,28 5,29 -0.778,30 23.903,31 2.89,32 17,33 7.903,34 7.903,35 7.903,36 7.903,37 7.903,38 -0.903,39 2.994,40 85.001,41 -0.447,42 1.758,44 1.668,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 22.743,53 -0.945,54 4.649,55 8.355,56 92.058,57 2.982,58 4.443,59 1650,60 9.5,61 60.658,62 35,63 1607,64 3.879,65 0.254,66 0.257,68 5.979,69 2.749,70 7.61}
{0 CHEMBL312871,1 1,2 1,3 192.87,4 2.496,5 1,6 11.617,8 1,9 2,11 11.054,13 0.833,14 2,17 4.732,19 4.726,20 5.398,22 3.35,23 3.274,24 7.258,25 5.414,26 97496,27 8.756,28 21,29 1.997,30 91.948,31 4.143,32 62,33 24.157,34 24.157,35 24.157,36 24.157,37 24.157,38 1.661,39 3.709,40 297.192,41 2.393,42 3.517,44 1.922,46 6,47 35,48 3.912,49 3.912,50 49,51 4.595,52 74.538,53 2.5,54 5.374,55 24.678,56 471.76,57 3.724,58 4.595,59 34092,60 28,61 173.848,62 260,63 37058,64 5.438,65 0.218,66 0.227,67 2,68 19.299,69 3.818,70 6.14}
{0 CHEMBL313160,1 1,2 1,4 2.457,6 11.56,8 1,9 1,11 10.492,13 1,14 2,16 4,17 4.858,19 3.068,20 5.52,22 3.484,23 3.324,24 7.29,25 5.466,26 79331,27 8.615,28 27,29 2.345,30 96.595,31 4.205,32 66,33 24.963,34 24.963,35 24.963,36 24.963,37 24.963,38 1.762,39 3.717,40 324.237,41 2.524,42 3.52,44 1.985,45 1,46 5,47 30,48 3.951,49 3.951,50 51,51 4.635,52 76.761,53 2.5,54 5.52,55 25.582,56 506.783,57 3.738,59 39072,60 29.5,61 184.129,62 282,63 41065,64 5.531,65 0.222,66 0.232,67 1,68 20.065,69 3.888,70 6.4}
{0 CHEMBL313189,1 1,2 1,4 4.413,6 10.204,8 2,11 6.386,13 0.25,14 1,16 1,17 3.621,18 57.982,19 5.456,20 5.012,22 2.752,23 2.428,24 6.547,25 4.754,26 22363,27 7.697,28 18,29 1.065,30 47.986,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.77,39 3.324,40 140.311,41 1.408,42 2.93,43 1,44 1.914,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 39.51,53 0.603,54 4.911,55 13.293,56 199.557,57 3.332,58 4.844,59 4938,60 14.75,61 95.519,62 69,63 5145,64 4.489,65 0.229,66 0.24,68 10.289,69 2.972,70 6}
{0 CHEMBL313251,1 1,2 1,3 192.87,4 2.479,5 1,6 11.617,8 1,9 2,11 10.998,13 0.833,14 2,17 4.732,19 4.556,20 5.465,22 3.35,23 3.274,24 7.258,25 5.414,26 97496,27 8.756,28 21,29 1.997,30 91.948,31 4.143,32 62,33 24.157,34 24.157,35 24.157,36 24.157,37 24.157,38 1.645,39 3.707,40 297.365,41 2.393,42 3.517,44 1.922,46 6,47 35,48 3.912,49 3.912,50 49,51 4.595,52 74.538,53 2.5,54 5.393,55 24.716,56 471.76,57 3.722,58 4.595,59 34092,60 28,61 172.026,62 260,63 37058,64 5.438,65 0.218,66 0.228,67 2,68 19.299,69 3.818,70 6.11}
{0 CHEMBL313631,1 1,2 1,4 2.201,6 6.781,8 1,13 1,17 3.027,19 1.231,20 4.287,22 0.556,23 0.5,24 5.602,25 4.119,26 1117,27 5.375,28 9,29 -1,30 25.677,31 2.944,32 18,33 6.927,34 6.927,35 6.927,36 6.927,37 6.927,38 -1.038,39 2.833,40 81.682,41 -1.342,42 1.195,44 1.65,46 2,47 11,48 2.708,49 2.708,50 14,51 3.367,52 20.51,54 4.287,55 7.298,56 75.253,57 2.808,58 4.595,59 1145,60 8.75,61 52.207,62 29,63 1121,64 3.679,65 0.281,66 0.296,68 5.408,69 2.621,70 5}
{0 CHEMBL313953,1 1,2 1,4 2.472,6 11.395,8 1,13 1,17 4.569,19 3.242,20 5.212,22 3.497,23 3.361,24 7.315,25 5.487,26 75836,27 8.602,28 22,29 2.203,30 98.838,31 4.22,32 67,33 25.588,34 25.588,35 25.588,36 25.588,37 25.588,38 1.897,39 3.751,40 331.139,41 2.44,42 3.526,44 2.013,46 5,47 30,48 3.97,49 3.97,50 52,51 4.654,52 79.646,53 2.5,54 5.191,55 25.941,56 525.74,57 3.743,59 40433,60 29.25,61 193.398,62 283,63 42410,64 5.56,65 0.212,66 0.22,68 21.055,69 3.851,70 6.37}
{0 CHEMBL31410,1 1,2 1,3 113.369,4 2.588,5 2,6 10.632,8 1,9 1,11 5.042,13 0.2,14 1,17 4.364,18 115.18,19 2.755,20 5.378,22 2.862,23 2.642,24 6.853,25 4.916,26 55192,27 8.458,28 13,29 1.454,30 54.818,31 3.611,32 36,33 14.747,34 14.747,35 14.747,36 14.747,37 14.747,38 1.174,39 3.236,40 185.229,41 1.655,42 3.005,43 2,44 1.908,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.483,53 0.831,54 5.378,55 15.184,56 248.97,57 3.255,58 4.844,59 6932,60 17.25,61 99.63,62 84,63 7458,64 4.675,65 0.243,66 0.254,68 11.686,69 3.131,70 6.793}
{0 CHEMBL314107,1 1,2 1,4 3.855,6 10.318,8 2,11 6.137,13 0.25,14 1,16 1,17 3.585,18 60.016,19 3.222,20 4.925,22 2.83,23 2.373,24 6.658,25 4.812,26 24745,27 7.81,28 16,29 1.064,30 50.487,31 3.526,32 33,33 13.38,34 13.38,35 13.38,36 13.38,37 13.38,38 0.769,39 3.248,40 145.138,41 1.342,42 2.845,43 1,44 1.889,45 1,46 4,47 24,48 3.332,49 3.332,50 27,51 4.007,52 41.772,53 0.563,54 4.88,55 14.01,56 215.965,57 3.255,58 4.844,59 5269,60 15.75,61 91.086,62 71,63 5432,64 4.553,65 0.274,66 0.288,68 9.947,69 2.904,70 6}
{0 CHEMBL314960,1 1,2 1,4 2.503,6 11.065,8 1,11 5.204,13 1,14 1,16 2,17 4.618,19 4.187,20 5.336,22 3.413,23 3.276,24 7.186,25 5.368,26 58001,27 8.364,28 25,29 1.928,30 87.825,31 4.111,32 60,33 23.073,34 23.073,35 23.073,36 23.073,37 23.073,38 1.694,39 3.705,40 290.973,41 2.402,42 3.516,44 1.923,46 5,47 30,48 3.871,49 3.871,50 47,51 4.554,52 70.784,53 2.5,54 5.336,55 23.715,56 446.635,57 3.707,59 31417,60 26.5,61 175.146,62 252,63 33313,64 5.404,65 0.219,66 0.228,68 18.844,69 3.805,70 6}
{0 CHEMBL315392,1 1,2 1,4 3.959,6 11.376,8 2,13 1,17 4.611,19 3.316,20 5.273,22 3.507,23 3.281,24 7.266,25 5.453,26 71312,27 8.532,28 28,29 2.158,30 95.362,31 4.19,32 65,33 24.577,34 24.577,35 24.577,36 24.577,37 24.577,38 1.809,39 3.721,40 307.843,41 2.406,42 3.524,44 1.996,46 5,47 30,48 3.932,49 3.932,50 50,51 4.615,52 76.105,53 2.5,54 5.251,55 25.077,56 490.295,57 3.737,59 37225,60 28.75,61 185.199,62 275,63 39204,64 5.499,65 0.217,66 0.227,68 20.052,69 3.873,70 6.09}
{0 CHEMBL315538,1 1,2 1,4 2.507,6 11.163,8 1,9 1,11 10.562,13 1,14 2,16 2,17 4.579,19 4.32,20 5.397,22 3.435,23 3.276,24 7.2,25 5.382,26 63390,27 8.433,28 28,29 1.928,30 89.128,31 4.127,32 61,33 23.501,34 23.501,35 23.501,36 23.501,37 23.501,38 1.696,39 3.693,40 300.038,41 2.402,42 3.518,44 1.927,46 5,47 30,48 3.892,49 3.892,50 48,51 4.575,52 71.97,53 2.5,54 5.397,55 24.057,56 459.631,57 3.701,59 33427,60 27.25,61 176.805,62 261,63 35358,64 5.436,65 0.209,66 0.217,67 1,68 18.605,69 3.85,70 5.94}
{0 CHEMBL315772,1 1,2 1,4 4.281,6 10.224,8 2,11 6.328,13 0.25,14 1,16 1,17 4.176,18 56.599,19 5.904,20 4.925,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 1.06,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.769,39 3.249,40 140.854,41 1.341,42 2.831,43 1,44 1.889,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.88,55 13.552,56 203.176,57 3.254,58 4.844,59 4741,60 15,61 95.458,62 66,63 4917,64 4.492,65 0.259,66 0.272,68 10.989,69 2.884,70 6.06}
{0 CHEMBL315914,1 1,2 1,4 2.516,6 11.065,8 1,11 5.23,13 1,14 1,16 2,17 4.618,19 4.814,20 5.368,22 3.413,23 3.276,24 7.186,25 5.368,26 58001,27 8.364,28 25,29 1.928,30 87.825,31 4.111,32 60,33 23.073,34 23.073,35 23.073,36 23.073,37 23.073,38 1.696,39 3.718,40 290.161,41 2.402,42 3.516,44 1.932,46 5,47 30,48 3.871,49 3.871,50 47,51 4.554,52 70.784,53 2.5,54 5.368,55 23.439,56 446.635,57 3.722,59 31417,60 26.25,61 175.383,62 252,63 33313,64 5.404,65 0.204,66 0.212,68 18.436,69 3.805,70 6.38}
{0 CHEMBL316495,1 1,2 1,4 2.489,6 11.413,8 1,13 1,17 4.905,19 3.357,20 5.632,22 3.431,23 3.278,24 7.276,25 5.483,26 78941,27 8.634,28 24,29 2.171,30 98.418,31 4.234,32 68,33 25.992,34 25.992,35 25.992,36 25.992,37 25.992,38 1.87,39 3.738,40 333.761,41 2.403,42 3.518,44 2.007,46 5,47 30,48 3.989,49 3.989,50 53,51 4.673,52 78.955,53 2.5,54 5.612,55 26.443,56 535.666,57 3.743,59 42725,60 30,61 198.7,62 290,63 44743,64 5.589,65 0.209,66 0.217,68 20.478,69 3.878,70 6.355}
{0 CHEMBL318235,1 2,2 2,3 129.553,4 4.908,5 1,6 11.708,7 2.128,8 2,9 4,10 1,11 22.83,12 1,13 0.6,14 4,15 1,16 4,17 4.729,18 146.743,19 3.782,20 5.256,21 1,22 3.181,23 2.995,24 6.905,25 5.142,26 87790,27 8.69,28 28,29 2.14,30 69.759,31 3.871,32 47,33 19.145,34 19.145,35 19.145,36 19.145,37 19.145,38 1.331,39 3.538,40 228.051,41 2.039,42 3.303,43 1,44 1.977,45 3,46 5,47 29,48 3.689,49 3.689,50 39,51 4.369,52 58.393,53 1.629,54 5.226,55 20.321,56 329.815,57 3.548,58 4.727,59 19876,60 23.5,61 133.552,62 192,63 21304,64 5.097,65 0.249,66 0.259,67 3,68 14.678,69 3.923,70 9.155}
{0 CHEMBL319119,1 2,2 2,3 133.726,4 4.714,5 1,6 11.871,7 1.724,8 2,9 4,10 1,11 22.756,12 1,13 0.6,14 4,15 1,16 4,17 4.517,18 151.69,19 2.298,20 5.376,21 1,22 3.226,23 3.049,24 6.961,25 5.17,26 96755,27 8.766,28 27,29 2.26,30 71.733,31 3.892,32 48,33 19.623,34 19.623,35 19.623,36 19.623,37 19.623,38 1.362,39 3.538,40 232.093,41 2.108,42 3.391,43 1,44 1.979,45 3,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 60.131,53 1.629,54 5.346,55 20.904,56 344.444,57 3.548,58 4.727,59 21186,60 24.25,61 133.768,62 201,63 22631,64 5.141,65 0.26,66 0.27,67 3,68 14.678,69 3.887,70 9.699}
{0 CHEMBL319530,1 2,2 2,3 118.575,4 4.937,5 1,6 11.206,7 2.245,8 2,9 5,10 1,11 22.825,12 1,13 0.6,14 4,15 1,16 4,17 4.56,18 134.173,19 3.945,20 5.277,21 1,22 3.069,23 2.793,24 6.864,25 5.086,26 69642,27 8.52,28 26,29 1.914,30 65.969,31 3.818,32 44.5,33 18.14,34 18.14,35 18.14,36 18.14,37 18.14,38 1.31,39 3.517,40 219.274,41 1.793,42 3.225,43 1,44 1.846,45 3,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 55.753,53 1.63,54 5.246,55 19.196,56 306.798,57 3.53,58 5.283,59 16763,60 22.75,61 125.726,62 169,63 18071,64 5.012,65 0.245,66 0.255,67 3,68 14.196,69 3.809,70 9.398}
{0 CHEMBL319573,1 2,2 2,3 122.893,4 4.801,5 1,6 11.74,7 3.896,8 2,9 4,10 2,11 22.767,12 1,13 0.6,14 4,15 2,16 4,17 4.595,18 139.287,19 3.377,20 5.351,21 1,22 3.019,23 2.859,24 6.872,25 5.112,26 84391,27 8.649,28 29,29 1.914,30 67.739,31 3.85,32 46,33 18.64,34 18.64,35 18.64,36 18.64,37 18.64,38 1.338,39 3.522,40 219.263,41 2.004,42 3.157,43 1,44 1.976,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.741,53 1.629,54 5.32,55 19.807,56 316.489,57 3.535,58 4.727,59 18514,60 23,61 129.27,62 183,63 19917,64 5.055,65 0.255,66 0.265,67 3,68 14.032,69 3.858,70 8.553}
{0 CHEMBL320736,1 1,2 1,4 2.356,6 11.431,8 1,11 4.967,13 1,14 1,17 4.859,19 2.699,20 5.555,22 3.518,23 3.398,24 7.354,25 5.531,26 85167,27 8.698,28 26,29 2.361,30 102.487,31 4.263,32 70,33 27.046,34 27.046,35 27.046,36 27.046,37 27.046,38 1.898,39 3.726,40 351.232,41 2.5,42 3.736,44 1.999,46 5,47 30,48 4.025,49 4.025,50 55,51 4.71,52 83.288,53 2.513,54 5.555,55 28.131,56 563.487,57 3.742,59 47366,60 32,61 191.676,62 302,63 49445,64 5.646,65 0.244,66 0.254,68 20.309,69 3.898,70 6.054}
{0 CHEMBL323579,1 1,2 1,4 2.449,6 11.407,8 1,11 5.752,13 1,14 1,17 4.88,19 3.128,20 5.615,22 3.401,23 3.276,24 7.268,25 5.483,26 79291,27 8.634,28 28,29 2.204,30 98.553,31 4.234,32 68,33 26.033,34 26.033,35 26.033,36 26.033,37 26.033,38 1.801,39 3.727,40 348.69,41 2.399,42 3.518,44 1.999,46 5,47 30,48 3.989,49 3.989,50 53,51 4.673,52 79.023,53 2.5,54 5.615,55 26.644,56 532.692,57 3.742,59 42976,60 30.5,61 194.175,62 290,63 45007,64 5.589,65 0.221,66 0.23,68 20.663,69 3.889,70 6.69}
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{0 CHEMBL327931,1 1,2 1,4 2.428,6 10.951,8 1,11 5.113,13 1,14 1,16 2,17 4.903,19 1.52,20 5.559,22 3.369,23 3.123,24 7.024,25 5.283,26 45559,27 8.147,28 19,29 1.873,30 80.237,31 4.025,32 55,33 21.095,34 21.095,35 21.095,36 21.095,37 21.095,38 1.654,39 3.622,40 282.31,41 2.261,42 3.484,44 1.972,46 4,47 24,48 3.784,49 3.784,50 43,51 4.466,52 64.48,53 2.347,54 5.559,55 21.778,56 394.914,57 3.619,59 25277,60 25.25,61 157.901,62 206,63 26263,64 5.289,65 0.248,66 0.259,68 17.578,69 3.78,70 7.32}
{0 CHEMBL328114,1 2,2 2,3 118.047,4 4.97,5 1,6 11.563,7 4.453,8 2,9 4,10 2,11 22.834,12 1,13 0.6,14 4,15 2,16 4,17 4.56,18 133.656,19 4.273,20 5.226,21 1,22 3.007,23 2.797,24 6.812,25 5.081,26 75450,27 8.564,28 30,29 1.718,30 65.93,31 3.829,32 45,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.312,39 3.522,40 210.592,41 1.799,42 3.144,43 1,44 1.975,45 3,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 55.182,53 1.629,54 5.195,55 19.237,56 303.433,57 3.535,58 4.727,59 17120,60 22.25,61 129.053,62 172,63 18494,64 5.009,65 0.239,66 0.249,67 3,68 14.032,69 3.855,70 8.208}
{0 CHEMBL328195,1 2,2 2,3 118.575,4 5.003,5 1,6 11.206,7 2.345,8 2,9 4,10 1,11 22.856,12 1,13 0.6,14 4,15 1,16 4,17 4.56,18 134.173,19 4.366,20 5.277,21 1,22 3.069,23 2.793,24 6.864,25 5.086,26 69642,27 8.52,28 25,29 1.914,30 65.969,31 3.818,32 44.5,33 18.14,34 18.14,35 18.14,36 18.14,37 18.14,38 1.308,39 3.528,40 218.52,41 1.793,42 3.225,43 1,44 1.844,45 3,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 55.753,53 1.63,54 5.246,55 19.499,56 306.798,57 3.533,58 5.283,59 16763,60 22.25,61 132.292,62 169,63 18071,64 5.012,65 0.254,66 0.265,67 3,68 14.694,69 3.809,70 9.523}
{0 CHEMBL328377,1 2,2 2,3 265.411,4 5.076,5 2,6 12.113,7 2.373,8 2,9 4,10 1,11 22.913,12 1,13 0.5,14 4,15 1,16 4,17 4.337,18 133.404,19 5.885,20 5.353,21 1,22 3.05,23 2.893,24 6.961,25 5.153,26 142574,27 9.093,28 28,29 2.121,30 70.531,31 3.871,32 47,33 19.183,34 19.183,35 19.183,36 19.183,37 19.183,38 1.368,39 3.518,40 219.134,41 2.031,42 3.226,43 1,44 1.95,45 3,46 6,47 34,48 3.689,49 3.689,50 39,51 4.369,52 59.138,53 1.669,54 5.322,55 20.233,56 331.119,57 3.53,58 5.416,59 18399,60 23.25,61 131.973,62 177,63 20413,64 5.058,65 0.237,66 0.247,67 3,68 14.975,69 3.82,70 8.328}
{0 CHEMBL328631,1 2,2 2,3 134.58,4 4.721,5 1,6 11.87,7 2.006,8 2,9 4,10 1,11 22.756,12 1,13 0.6,14 4,15 1,16 4,17 4.892,18 152.569,19 2.217,20 5.376,21 1,22 3.178,23 3.058,24 6.973,25 5.17,26 96964,27 8.766,28 27,29 2.293,30 71.697,31 3.892,32 48,33 19.59,34 19.59,35 19.59,36 19.59,37 19.59,38 1.34,39 3.528,40 232.093,41 2.124,42 3.294,43 1,44 1.982,45 3,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 60.074,53 1.668,54 5.346,55 20.872,56 343.866,57 3.54,58 4.727,59 21377,60 24.25,61 133.768,62 203,63 22835,64 5.141,65 0.26,66 0.27,67 3,68 14.55,69 3.922,70 9.097}
{0 CHEMBL328735,1 2,2 2,3 123.603,4 4.789,5 1,6 11.022,8 2,9 4,11 22.782,12 1,13 0.6,14 4,16 5,17 4.477,18 139.99,19 3.736,20 5.23,21 2,22 3.088,23 2.796,24 6.872,25 5.112,26 79048,27 8.608,28 28,29 2.13,30 67.758,31 3.85,32 46,33 18.64,34 18.64,35 18.64,36 18.64,37 18.64,38 1.312,39 3.523,40 211.092,41 1.797,42 3.235,43 1,44 1.98,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.958,53 1.742,54 5.076,55 19.631,56 317.728,57 3.536,58 4.727,59 18308,60 23,61 128.723,62 181,63 19697,64 5.055,65 0.244,66 0.254,67 3,68 14.55,69 3.868,70 8.276}
{0 CHEMBL329065,1 2,2 2,3 129.734,4 4.928,5 1,6 11.716,7 2.266,8 2,9 4,10 1,11 22.848,12 1,13 0.6,14 4,15 1,16 4,17 4.729,18 146.938,19 4.417,20 5.289,21 1,22 3.116,23 2.892,24 6.915,25 5.142,26 88001,27 8.69,28 28,29 2.131,30 69.862,31 3.871,32 47,33 19.106,34 19.106,35 19.106,36 19.106,37 19.106,38 1.327,39 3.528,40 232.325,41 1.948,42 3.278,43 1,44 1.981,45 3,46 5,47 29,48 3.689,49 3.689,50 39,51 4.369,52 58.46,53 1.638,54 5.26,55 20.243,56 329.65,57 3.54,58 4.727,59 19955,60 23.5,61 135.029,62 193,63 21388,64 5.098,65 0.239,66 0.248,67 3,68 15.172,69 3.923,70 9.222}
{0 CHEMBL334255,6 6.814,13 1,17 3.732,20 4.136,22 2.134,23 1.814,24 5.407,25 4.337,26 2746,27 5.855,28 5,29 0.45,30 32.823,31 3.258,32 25,33 10.932,34 10.932,35 10.932,36 10.932,37 10.932,38 0.438,39 3.494,40 116.281,41 0.802,42 2.419,44 1.918,46 1,47 6,48 3.135,49 3.135,50 22,51 3.807,52 28.569,53 0.288,54 3.687,55 11.118,56 125.549,57 3.471,59 6680,60 11.75,61 98.683,62 115,63 6492,64 4.429,65 0.175,66 0.177,68 7.889,69 3.865,70 5.825}
{0 CHEMBL351200,1 1,2 1,3 176.055,4 4.087,5 2,6 11.947,7 5.702,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.593,18 113.559,19 2.402,20 5.29,22 3.084,23 2.854,24 6.834,25 5.04,26 50744,27 8.275,28 12,29 1.474,30 62.701,31 3.761,32 42,33 15.782,34 15.782,35 15.782,36 15.782,37 15.782,38 1.316,39 3.494,40 187.642,41 2.006,42 3.16,43 1,44 1.949,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 49.979,53 1.204,54 5.29,55 16.175,56 258.81,57 3.489,58 4.844,59 9769,60 18.75,61 112.153,62 114,63 10718,64 4.785,65 0.242,66 0.257,68 12.596,69 3.431,70 8.879}
{0 CHEMBL351483,1 1,2 1,3 177.038,4 3.929,5 2,6 11.927,7 5.166,8 2,9 1,10 2,13 0.4,15 3,16 2,17 4.522,18 114.195,19 2.37,20 5.278,22 3.156,23 2.853,24 6.819,25 5.04,26 50746,27 8.275,28 12,29 1.463,30 62.653,31 3.761,32 42,33 15.798,34 15.798,35 15.798,36 15.798,37 15.798,38 1.144,39 3.489,40 186.321,41 2.008,42 3.284,43 1,44 1.944,46 5,47 29,48 3.497,49 3.497,50 32,51 4.174,52 50.129,53 1.221,54 5.278,55 16.469,56 258.049,57 3.482,58 4.844,59 9794,60 19,61 112.587,62 114,63 10746,64 4.785,65 0.269,66 0.286,68 13.111,69 3.437,70 9.14}
{0 CHEMBL353972,3 54.777,5 1,6 8.123,13 0.667,17 3,19 4.2,20 4.164,22 1.569,23 1.447,24 6.333,25 4.44,26 3034,27 6.205,28 4,29 -0.45,30 34.887,31 3.199,32 23.5,33 8.802,34 8.802,35 8.802,36 8.802,37 8.802,38 -0.682,39 3.041,40 103.961,41 0.412,42 2.118,44 1.698,46 3,47 16,48 2.944,49 2.944,50 18,51 3.611,52 27.241,53 -0.5,54 4.164,55 8.997,56 116.358,57 3.014,58 5.352,59 1831,60 10,61 65.242,62 34,63 1858,64 3.974,65 0.24,66 0.254,68 6.91,69 2.593,70 8.38}
{0 CHEMBL362051,1 1,2 1,4 6.084,6 10.13,8 3,9 1,11 5.487,13 0.75,14 1,16 1,17 4.374,18 142.513,19 3.459,20 5.098,22 2.917,23 2.612,24 6.915,25 5.017,26 29859,27 7.843,28 23,29 1.328,30 60.739,31 3.738,32 41,33 16.15,34 16.15,35 16.15,36 16.15,37 16.15,38 1.118,39 3.454,40 187.327,41 1.642,42 2.968,43 1,44 1.902,45 3,46 4,47 24,48 3.526,49 3.526,50 33,51 4.205,52 50.774,53 1.324,54 5.098,55 16.76,56 272.799,57 3.454,59 11636,60 19.75,61 117.872,62 133,63 12247,64 4.883,65 0.24,66 0.25,67 1,68 13.163,69 3.49,70 8}
{0 CHEMBL362699,1 2,2 2,4 5.182,6 9.394,8 2,9 1,11 5.941,13 0.75,14 1,16 1,17 4.252,18 111.266,19 3.876,20 4.924,22 2.762,23 2.5,24 6.333,25 4.745,26 16810,27 7.356,28 23,29 1,30 48.04,31 3.526,32 33,33 13.404,34 13.404,35 13.404,36 13.404,37 13.404,38 0.965,39 3.407,40 140.038,41 1.5,42 2.842,43 1,44 1.927,45 1,46 4,47 24,48 3.332,49 3.332,50 27,51 4.007,52 39.745,53 0.688,54 4.869,55 13.94,56 189.651,57 3.397,59 7163,60 15.5,61 99.123,62 98,63 7797,64 4.556,65 0.224,66 0.233,67 1,68 10.346,69 3.506,70 6.301}
{0 CHEMBL362954,4 1.999,6 8.431,8 1,9 1,11 5.33,13 1,14 1,16 1,17 3.823,19 4.068,20 4.88,22 2.36,23 2.031,24 6.263,25 4.673,26 4363,27 6.491,28 15,29 0.939,30 45.089,31 3.466,32 31,33 11.809,34 11.809,35 11.809,36 11.809,37 11.809,38 0.556,39 3.094,40 141.258,41 0.9,42 2.5,44 1.683,45 1,46 3,47 17,48 3.219,49 3.219,50 24,51 3.892,52 35.221,53 0.5,54 4.88,55 12.403,56 170.78,57 3.101,58 4.443,59 4511,60 14.25,61 87.473,62 61,63 4601,64 4.43,65 0.263,66 0.276,67 1,68 9.271,69 2.958,70 8.42}
{0 CHEMBL363581,1 1,2 1,4 2.156,6 10.224,8 1,11 6.373,13 0.25,14 1,17 4.176,18 56.599,19 4.519,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 1.035,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.727,39 3.282,40 139.921,41 1.341,42 2.831,43 1,44 1.884,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.685,56 203.176,57 3.284,58 4.844,59 4741,60 14.5,61 93.934,62 66,63 4917,64 4.492,65 0.27,66 0.284,68 10.589,69 2.884,70 7.108}
{0 CHEMBL364270,1 1,2 1,4 2.178,6 10.224,8 1,9 1,11 12.575,13 0.25,14 2,16 1,17 4.176,18 56.599,19 4.778,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 0.984,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.728,39 3.283,40 139.921,41 1.341,42 2.831,43 1,44 1.888,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.721,56 203.176,57 3.284,58 4.844,59 4741,60 15,61 92.079,62 66,63 4917,64 4.492,65 0.262,66 0.275,67 1,68 10.989,69 2.884,70 6.169}
{0 CHEMBL366164,1 1,2 1,4 2.156,6 10.224,8 1,11 6.373,13 0.25,14 1,17 4.176,18 56.599,19 4.519,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 1.035,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.727,39 3.282,40 139.921,41 1.341,42 2.831,43 1,44 1.884,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.685,56 203.176,57 3.284,58 4.844,59 4741,60 14.5,61 93.934,62 66,63 4917,64 4.492,65 0.27,66 0.284,68 10.589,69 2.884,70 7.032}
{0 CHEMBL369378,1 2,2 2,3 132.94,4 5.067,5 1,6 11.951,7 2.294,8 2,9 3,10 1,11 18.337,12 1,13 0.667,14 3,15 1,16 4,17 4.725,18 148.466,19 4.105,20 5.385,21 1,22 3.146,23 3.01,24 6.891,25 5.176,26 127767,27 8.977,28 25,29 2.173,30 72.253,31 3.912,32 49,33 20.335,34 20.335,35 20.335,36 20.335,37 20.335,38 1.391,39 3.663,40 235.112,41 2.08,42 3.307,43 1,44 1.976,45 2,46 6,47 34,48 3.738,49 3.738,50 41,51 4.419,52 61.366,53 2,54 5.385,55 21.25,56 344.037,57 3.669,58 5.283,59 22746,60 23.75,61 143.284,62 205,63 25205,64 5.134,65 0.218,66 0.227,67 2,68 15.935,69 3.987,70 9.301}
{0 CHEMBL369938,1 1,2 1,3 234.934,4 2.591,5 2,6 12.079,8 1,9 1,11 5.235,13 0.333,14 1,17 5.029,18 229.689,19 3.645,20 5.903,22 3.162,23 3.011,24 7.054,25 5.273,26 190676,27 9.312,28 21,29 1.877,30 79.866,31 4.007,32 54,33 21.769,34 21.769,35 21.769,36 21.769,37 21.769,38 1.604,39 3.541,40 280.633,41 2.082,42 3.281,43 2,44 1.996,46 6,47 35,48 3.807,49 3.807,50 44,51 4.489,52 66.565,53 2.414,54 5.903,55 22.377,56 392.718,57 3.546,58 4.844,59 26515,60 25.5,61 150.075,62 214,63 29062,64 5.25,65 0.226,66 0.235,68 17.102,69 3.931,70 8.959}
{0 CHEMBL370005,1 1,2 1,3 146.628,4 2.556,5 2,6 10.92,8 1,9 1,11 4.633,13 0.2,14 1,17 4.707,18 144.938,19 2.669,20 5.565,22 3.004,23 2.862,24 6.921,25 5.034,26 77734,27 8.717,28 15,29 1.466,30 61.413,31 3.738,32 41,33 16.713,34 16.713,35 16.713,36 16.713,37 16.713,38 1.346,39 3.377,40 220.214,41 1.938,42 3.152,43 2,44 1.919,46 5,47 29,48 3.555,49 3.555,50 34,51 4.234,52 52.248,53 1.448,54 5.565,55 17.182,56 293.218,57 3.408,58 4.844,59 10599,60 20,61 112.583,62 112,63 11254,64 4.875,65 0.247,66 0.258,68 13.368,69 3.379,70 8.097}
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{0 CHEMBL371352,1 1,2 1,4 2.23,6 10.127,8 1,11 6.498,13 0.25,14 1,17 3.391,18 53.183,19 5.777,20 4.925,22 2.752,23 2.371,24 6.538,25 4.727,26 19987,27 7.617,28 18,29 0.984,30 46.623,31 3.466,32 31,33 12.414,34 12.414,35 12.414,36 12.414,37 12.414,38 0.729,39 3.282,40 130.53,41 1.34,42 2.824,43 1,44 1.89,45 1,46 4,47 24,48 3.258,49 3.258,50 25,51 3.932,52 38.381,53 0.559,54 4.703,55 12.771,56 190.625,57 3.284,58 4.844,59 4247,60 13.75,61 90.771,62 62,63 4434,64 4.428,65 0.219,66 0.229,68 9.947,69 2.857,70 7.161}
{0 CHEMBL371516,1 2,2 2,3 637.941,4 5.217,5 4,6 15.859,8 2,13 0.2,17 4.671,18 618.315,19 5.428,20 5.489,22 3.541,23 3.284,24 7.565,25 5.635,26 3769680,27 11.769,28 24,29 2.364,30 113.068,31 4.317,32 74,33 30.655,34 30.655,35 30.655,36 30.655,37 30.655,38 1.948,39 3.848,40 379.299,41 2.504,42 3.548,43 4,44 2.015,46 10,47 58,48 4.143,49 4.143,50 62,51 4.828,52 96.375,53 2.864,54 5.489,55 31.387,56 648.028,57 3.844,58 5.533,59 61702,60 35.5,61 206.055,62 376,63 71242,64 5.707,65 0.205,66 0.213,68 24.193,69 4.169,70 8.071}
{0 CHEMBL373535,6 9.051,9 1,11 6.063,13 1,14 1,17 3.722,19 2.951,20 4.973,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 11,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.178,40 125.24,41 0.875,42 2.5,44 1.76,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.973,55 11.41,56 148.148,57 3.168,58 4.443,59 3656,60 13,61 77.857,62 57,63 3791,64 4.296,65 0.267,66 0.283,67 1,68 8.364,69 3.018,70 7.3}
{0 CHEMBL373830,6 9.236,9 1,11 6.034,13 1,14 1,17 4.011,19 2.628,20 5.01,22 2.5,23 2.026,24 6.282,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.783,31 3.434,32 30,33 11.36,34 11.36,35 11.36,36 11.36,37 11.36,38 0.556,39 3.178,40 130.131,41 0.876,42 2.654,44 1.764,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.01,53 0.305,54 4.856,55 11.853,56 160.599,57 3.168,58 4.443,59 4064,60 13.25,61 81.708,62 61,63 4182,64 4.367,65 0.264,66 0.279,67 1,68 8.892,69 3.018,70 5.79}
{0 CHEMBL374584,6 9.203,9 1,11 6.049,13 1,14 1,17 4.011,19 2.919,20 5.061,22 2.5,23 2.025,24 6.256,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.835,31 3.434,32 30,33 11.376,34 11.376,35 11.376,36 11.376,37 11.376,38 0.556,39 3.178,40 130.131,41 0.875,42 2.651,44 1.764,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.122,53 0.306,54 5.061,55 11.877,56 159.509,57 3.168,58 4.443,59 4123,60 13.25,61 81.708,62 62,63 4246,64 4.366,65 0.264,66 0.279,67 1,68 8.998,69 3.04,70 7.54}
{0 CHEMBL374954,6 9.051,13 1,17 3.722,19 3.871,20 4.807,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 14,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.25,40 116.363,41 0.875,42 2.5,44 1.747,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.735,55 11.435,56 148.148,57 3.195,58 4.443,59 3656,60 12,61 86.457,62 57,63 3791,64 4.296,65 0.251,66 0.265,68 9.066,69 3.018,70 6.15}
{0 CHEMBL382310,1 1,2 1,3 105.971,4 2.537,5 2,6 10.563,8 1,13 0.2,17 4.404,18 108.891,19 2.675,20 5.37,22 2.86,23 2.631,24 6.834,25 4.894,26 50249,27 8.382,28 10,29 1.263,30 53.789,31 3.584,32 35,33 14.326,34 14.326,35 14.326,36 14.326,37 14.326,38 1.167,39 3.216,40 178.879,41 1.639,42 2.992,43 2,44 1.905,46 5,47 29,48 3.401,49 3.401,50 29,51 4.078,52 45.501,53 0.747,54 5.37,55 14.66,56 237.159,57 3.228,58 4.844,59 6248,60 16.5,61 94.861,62 78,63 6757,64 4.619,65 0.249,66 0.261,68 11.544,69 3.051,70 7.721}
{0 CHEMBL383978,1 1,2 1,4 4.905,6 11.227,8 2,13 0.75,17 4.307,18 126.813,19 7.079,20 5.207,22 2.654,23 2.547,24 6.737,25 4.965,26 25887,27 7.758,28 17,29 1.24,30 59.842,31 3.701,32 39.5,33 15.244,34 15.244,35 15.244,36 15.244,37 15.244,38 1.119,39 3.528,40 186.088,41 1.563,42 3.317,43 1,44 1.904,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 47.154,53 1.017,54 5.207,55 15.798,56 247.971,57 3.52,59 9581,60 18,61 118.036,62 115,63 10077,64 4.78,65 0.21,66 0.219,68 12.622,69 3.455,70 7.959}
{0 CHEMBL384318,1 1,2 1,4 4.912,6 11.342,8 2,13 0.75,17 4.444,18 130.628,19 8.361,20 5.234,22 2.968,23 2.622,24 6.821,25 4.999,26 28545,27 7.845,28 16,29 1.558,30 61.762,31 3.726,32 40.5,33 15.702,34 15.702,35 15.702,36 15.702,37 15.702,38 1.332,39 3.521,40 192.394,41 1.639,42 3.116,43 1,44 1.905,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.904,53 1.156,54 5.234,55 16.251,56 263.986,57 3.514,59 10210,60 18.5,61 123.078,62 118,63 10682,64 4.831,65 0.206,66 0.215,68 13.053,69 3.395,70 6.409}
{0 CHEMBL384925,1 1,2 1,4 4.855,6 12.7,8 2,13 0.8,17 4.438,18 146.134,19 7.171,20 5.188,22 2.943,23 2.875,24 6.779,25 5.11,26 46200,27 8.196,28 24,29 1.425,30 70.642,31 3.882,32 47.5,33 17.813,34 17.813,35 17.813,36 17.813,37 17.813,38 1.353,39 3.559,40 194.194,41 2.04,42 3.306,43 1,44 1.973,45 1,46 5,47 30,48 3.611,49 3.611,50 36,51 4.29,52 53.982,53 1.806,54 5.188,55 18.369,56 302.993,57 3.565,59 13657,60 20.5,61 133.273,62 130,63 14768,64 4.968,65 0.204,66 0.215,68 14.025,69 3.529,70 7.456}
{0 CHEMBL385310,6 8.638,9 1,11 6.065,13 1,14 1,17 3.577,19 3.244,20 4.879,22 2.118,23 2.023,24 6.151,25 4.551,26 4129,27 6.34,28 10,29 0.618,30 39.967,31 3.35,32 27.5,33 10.393,34 10.393,35 10.393,36 10.393,37 10.393,38 0.53,39 3.178,40 120.264,41 0.87,42 2.299,44 1.681,45 1,46 3,47 16,48 3.091,49 3.091,50 21,51 3.761,52 31.252,53 -0.118,54 4.879,55 11.119,56 138.475,57 3.168,58 5.13,59 3185,60 12,61 78.971,62 52,63 3305,64 4.223,65 0.288,66 0.306,67 1,68 8.508,69 2.936,70 6.88}
{0 CHEMBL385722,4 2.409,6 11.061,8 1,13 0.75,17 4.162,18 114.991,19 3.958,20 5.229,22 2.577,23 2.5,24 6.561,25 4.877,26 20863,27 7.569,28 17,29 1.134,30 55.627,31 3.651,32 37.5,33 14.274,34 14.274,35 14.274,36 14.274,37 14.274,38 1,39 3.437,40 175.134,41 1.5,42 2.913,43 1,44 1.886,46 4,47 24,48 3.401,49 3.401,50 29,51 4.078,52 43.184,53 0.903,54 5.229,55 14.793,56 221.707,57 3.435,59 7883,60 17,61 104.884,62 100,63 8383,64 4.674,65 0.242,66 0.255,68 11.166,69 3.319,70 6.688}
{0 CHEMBL386169,1 1,2 1,4 4.918,6 11.337,8 2,13 0.75,17 4.651,18 130.022,19 7.266,20 5.291,22 2.783,23 2.69,24 6.723,25 4.972,26 28559,27 7.828,28 18,29 1.362,30 60.381,31 3.726,32 40.5,33 15.708,34 15.708,35 15.708,36 15.708,37 15.708,38 1.229,39 3.547,40 195.678,41 1.724,42 3.019,43 1,44 1.889,45 1,46 4,47 25,48 3.497,49 3.497,50 32,51 4.174,52 47.594,53 1.067,54 5.291,55 16.263,56 260.81,57 3.536,58 2.708,59 10280,60 18.5,61 123.085,62 118,63 10799,64 4.831,65 0.206,66 0.215,68 12.575,69 3.398,70 8.047}
{0 CHEMBL390718,1 2,2 2,3 123.422,4 5.056,5 1,6 11.575,7 2.288,8 2,9 3,10 1,11 16.911,12 1,13 0.6,14 3,15 1,16 1,17 4.536,18 139.795,19 4.76,20 5.289,21 1,22 3.05,23 2.816,24 6.862,25 5.112,26 78835,27 8.608,28 29,29 2.072,30 67.877,31 3.85,32 46,33 18.678,34 18.678,35 18.678,36 18.678,37 18.678,38 1.341,39 3.539,40 228.69,41 1.899,42 3.226,43 1,44 1.977,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.77,53 1.629,54 5.26,55 19.635,56 317.95,57 3.548,58 4.727,59 18225,60 22.75,61 137.066,62 180,63 19609,64 5.055,65 0.232,66 0.241,67 2,68 14.678,69 3.866,70 8.081}
{0 CHEMBL392771,1 2,2 2,3 167.772,4 4.466,5 1,6 13.53,8 2,9 4,11 16.674,13 0.6,14 3,17 5.122,18 183.113,19 8.059,20 5.594,22 3.225,23 3.169,24 7.047,25 5.296,26 132899,27 9.067,28 34,29 2.076,30 83.593,31 4.043,32 56,33 21.549,34 21.549,35 21.549,36 21.549,37 21.549,38 1.708,39 3.472,40 265.328,41 2.245,42 3.353,43 1,44 2,45 2,46 5,47 29,48 3.807,49 3.807,50 44,51 4.489,52 65.979,53 2.223,54 5.461,55 22.454,56 403.948,57 3.481,58 4.727,59 25621,60 26.25,61 157.263,62 210,63 26777,64 5.286,65 0.225,66 0.235,67 3,68 17.297,69 3.915,70 8.027}
{0 CHEMBL392991,1 1,2 1,3 120.217,4 2.44,5 1,6 12.291,8 1,9 5,11 16.491,13 0.6,14 3,17 4.389,18 131.959,19 7.472,20 5.267,22 3.078,23 2.908,24 6.864,25 5.089,26 53587,27 8.374,28 22,29 1.523,30 68.495,31 3.839,32 45.5,33 17.122,34 17.122,35 17.122,36 17.122,37 17.122,38 1.134,39 3.371,40 187.054,41 2.074,42 3.185,43 1,44 1.76,45 3,46 5,47 28,48 3.584,49 3.584,50 35,51 4.263,52 52.717,53 1.647,54 5.084,55 17.822,56 295.313,57 3.388,58 5.283,59 12453,60 20.75,61 118.158,62 130,63 13353,64 4.926,65 0.237,66 0.25,67 3,68 13.352,69 3.536,70 8.097}
{0 CHEMBL392992,1 1,2 1,3 124.411,4 2.463,5 1,6 12.669,8 1,9 4,11 16.569,13 0.6,14 3,17 4.75,18 136.854,19 8.092,20 5.234,22 3.083,23 2.981,24 6.872,25 5.115,26 61691,27 8.478,28 25,29 1.601,30 70.578,31 3.871,32 47,33 17.622,34 17.622,35 17.622,36 17.622,37 17.622,38 1.134,39 3.375,40 190.131,41 2.141,42 3.192,43 1,44 1.986,45 2,46 5,47 29,48 3.611,49 3.611,50 36,51 4.29,52 53.936,53 1.647,54 5.06,55 18.322,56 307.072,57 3.392,58 4.727,59 13581,60 20.75,61 125.767,62 137,63 14529,64 4.971,65 0.225,66 0.237,67 3,68 13.706,69 3.594,70 7.699}
{0 CHEMBL393597,1 1,2 1,3 128.021,4 2.394,5 1,6 12.842,8 1,9 4,11 16.466,13 0.6,14 3,17 4.658,18 141.474,19 6.406,20 5.37,22 3.085,23 2.986,24 6.93,25 5.145,26 69330,27 8.573,28 24,29 1.77,30 72.3,31 3.892,32 48,33 18.089,34 18.089,35 18.089,36 18.089,37 18.089,38 1.351,39 3.375,40 199.511,41 2.141,42 3.202,43 1,44 1.988,45 2,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 55.501,53 1.648,54 5.196,55 18.897,56 321.837,57 3.392,58 4.727,59 14582,60 21.5,61 125.983,62 143,63 15526,64 5.016,65 0.242,66 0.255,67 3,68 13.706,69 3.596,70 7.959}
{0 CHEMBL394218,1 2,2 2,3 150.334,4 4.85,5 1,6 12.422,8 2,9 4,11 16.585,13 0.5,14 3,17 4.939,18 164.319,19 6.171,20 5.444,22 3.161,23 3.094,24 7.067,25 5.236,26 143887,27 9.122,28 27,29 2.075,30 77.069,31 3.951,32 51,33 20.566,34 20.566,35 20.566,36 20.566,37 20.566,38 1.699,39 3.408,40 247.114,41 2.171,42 3.298,43 1,44 2,45 3,46 6,47 35,48 3.761,49 3.761,50 42,51 4.443,52 63.71,53 2,54 5.301,55 21.474,56 378.631,57 3.431,58 4.727,59 20969,60 25.25,61 142.077,62 179,63 22903,64 5.18,65 0.232,66 0.242,67 3,68 16.298,69 3.747,70 9.097}
{0 CHEMBL396013,6 9.051,9 1,11 6.091,13 1,14 1,17 3.722,19 3.165,20 4.807,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 14,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.178,40 116.363,41 0.875,42 2.5,44 1.763,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.735,55 11.316,56 148.148,57 3.168,58 4.443,59 3656,60 12.5,61 80.014,62 57,63 3791,64 4.296,65 0.251,66 0.265,67 1,68 8.364,69 3.018,70 6.52}
{0 CHEMBL397753,6 9.651,9 1,11 6.021,13 1,14 1,17 4.089,19 2.314,20 5.053,22 2.605,23 2.5,24 6.372,25 4.771,26 7592,27 6.799,28 13,29 1.031,30 49.55,31 3.555,32 34,33 12.344,34 12.344,35 12.344,36 12.344,37 12.344,38 0.713,39 3.178,40 136.877,41 1.5,42 2.657,44 1.776,45 1,46 3,47 17,48 3.258,49 3.258,50 25,51 3.932,52 37.312,53 0.678,54 5.053,55 12.846,56 181.236,57 3.168,58 4.443,59 5237,60 14.75,61 87.339,62 73,63 5344,64 4.496,65 0.284,66 0.302,67 1,68 9.897,69 3.158,70 6.2}
{0 CHEMBL402143,1 1,2 1,4 2.38,6 9.336,8 1,9 2,11 10.869,13 1,14 2,17 4.582,19 2.542,20 5.155,22 2.504,23 2.5,24 6.535,25 4.86,26 15238,27 7.302,28 21,29 1.098,30 53.7,31 3.638,32 37,33 15.175,34 15.175,35 15.175,36 15.175,37 15.175,38 0.983,39 3.285,40 195.466,41 1.5,42 2.917,44 1.934,45 1,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 44.844,53 1.111,54 5.155,55 16.055,56 238.648,57 3.293,59 11119,60 18,61 109.922,62 132,63 11341,64 4.824,65 0.251,66 0.259,67 2,68 10.937,69 3.678,70 6.83}
{0 CHEMBL405355,1 1,2 1,4 2.417,6 11.441,8 1,9 1,11 10.907,13 1,14 2,16 4,17 4.736,19 3.006,20 5.437,22 3.47,23 3.277,24 7.235,25 5.432,26 68781,27 8.497,28 25,29 2.143,30 93.649,31 4.174,32 64,33 24.058,34 24.058,35 24.058,36 24.058,37 24.058,38 1.666,39 3.71,40 298.045,41 2.403,42 3.519,44 1.97,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 74.07,53 2.5,54 5.437,55 24.611,56 476.832,57 3.726,59 34989,60 28,61 175.716,62 266,63 36927,64 5.469,65 0.222,66 0.232,68 19.347,69 3.83,70 6.432}
{0 CHEMBL40650,1 1,2 1,3 298.486,4 3.739,5 3,6 12.392,8 2,9 1,11 5.583,13 0.333,14 1,16 1,17 4.625,18 113.744,19 4.847,20 5.508,22 3.021,23 2.997,24 7.027,25 5.159,26 130273,27 9.052,28 16,29 1.8,30 71.094,31 3.871,32 47,33 18.208,34 18.208,35 18.208,36 18.208,37 18.208,38 1.339,39 3.469,40 216.606,41 2.132,42 3.307,43 1,44 1.909,45 1,46 6,47 34,48 3.638,49 3.638,50 37,51 4.317,52 57.156,53 1.752,54 5.508,55 19.106,56 319.465,57 3.492,58 5.476,59 14270,60 22,61 123.327,62 145,63 15878,64 4.976,65 0.268,66 0.284,67 1,68 14.967,69 3.598,70 7.78}
{0 CHEMBL407734,6 9.192,13 0.333,17 3.735,18 98.609,19 5.243,20 4.638,21 1,22 1.775,23 1.028,24 6.192,25 4.522,26 5585,27 6.62,28 7,29 0.291,30 38.72,31 3.296,32 26,33 9.394,34 9.394,35 9.394,36 9.394,37 9.394,38 -0.371,39 2.906,40 86.548,41 -0.389,42 2.696,43 2,44 1.583,46 3,47 18,48 2.996,49 2.996,50 19,51 3.664,52 29.092,53 -0.467,54 4.638,55 9.737,56 123.854,57 2.891,59 2262,60 10.25,61 71.573,62 44,63 2303,64 4.061,65 0.297,66 0.321,68 8.256,69 2.847,70 5}
{0 CHEMBL411,6 8.647,13 1,17 2.922,19 2.837,20 3.584,22 2.186,23 1.42,24 6.184,25 4.564,26 2638,27 6.094,28 8,29 0.229,30 40.347,31 3.367,32 28,33 10.196,34 10.196,35 10.196,36 10.196,37 10.196,39 3.218,40 117.658,41 0.296,42 2.5,44 1.754,46 2,47 12,48 3.091,49 3.091,50 21,51 3.761,52 30.473,53 -0.045,54 3.584,55 10.359,56 143.571,57 3.189,59 3389,60 11,61 82.667,62 56,63 3281,64 4.292,65 0.221,66 0.232,68 8.184,69 3.027,70 4.82}
{0 CHEMBL415,1 1,2 1,4 4.69,6 9.517,8 2,13 0.333,16 1,17 4.278,19 6.249,20 4.792,22 2.417,23 2.033,24 6.372,25 4.663,26 10367,27 7.073,28 17,29 0.675,30 44.25,31 3.434,32 30,33 11.869,34 11.869,35 11.869,36 11.869,37 11.869,38 0.471,39 3.246,40 133.83,41 0.965,42 2.737,44 1.885,46 3,47 19,48 3.219,49 3.219,50 24,51 3.892,52 35.678,53 0.339,54 4.747,55 12.482,56 176.887,57 3.225,58 2.708,59 4283,60 13.75,61 95.41,62 60,63 4298,64 4.427,65 0.234,66 0.244,68 10.025,69 2.896,70 5.85}
{0 CHEMBL41929,1 1,2 1,4 2.417,6 11.441,8 1,9 1,11 10.907,13 1,14 2,16 4,17 4.736,19 3.006,20 5.437,22 3.47,23 3.277,24 7.235,25 5.432,26 68781,27 8.497,28 25,29 2.143,30 93.649,31 4.174,32 64,33 24.058,34 24.058,35 24.058,36 24.058,37 24.058,38 1.666,39 3.71,40 298.045,41 2.403,42 3.519,44 1.97,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 74.07,53 2.5,54 5.437,55 24.611,56 476.832,57 3.726,59 34989,60 28,61 175.716,62 266,63 36927,64 5.469,65 0.222,66 0.232,68 19.347,69 3.83,70 6.481}
{0 CHEMBL419316,1 2,2 2,3 123.603,4 4.998,5 1,6 11.585,7 2.339,8 2,9 4,10 1,11 22.875,12 1,13 0.6,14 4,15 1,16 4,17 4.477,18 139.99,19 4.32,20 5.256,21 1,22 3.081,23 2.797,24 6.872,25 5.112,26 79048,27 8.608,28 29,29 1.925,30 68.073,31 3.85,32 46,33 18.64,34 18.64,35 18.64,36 18.64,37 18.64,38 1.312,39 3.529,40 219.561,41 1.801,42 3.238,43 1,44 1.981,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.909,53 1.632,54 5.226,55 19.696,56 317.728,57 3.539,58 4.727,59 18308,60 22.75,61 133.335,62 181,63 19697,64 5.055,65 0.234,66 0.243,67 3,68 14.55,69 3.868,70 9.461}
{0 CHEMBL419336,1 2,2 2,3 133.726,4 4.714,5 1,6 11.871,7 1.724,8 2,9 4,10 1,11 22.756,12 1,13 0.6,14 4,15 1,16 4,17 4.76,18 151.69,19 1.522,20 5.376,21 1,22 3.151,23 2.984,24 6.973,25 5.17,26 96755,27 8.766,28 27,29 2.194,30 71.735,31 3.892,32 48,33 19.597,34 19.597,35 19.597,36 19.597,37 19.597,38 1.36,39 3.538,40 232.093,41 2.044,42 3.268,43 1,44 1.979,45 3,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 60.022,53 1.629,54 5.346,55 20.862,56 344.809,57 3.548,58 4.727,59 21179,60 24.25,61 133.768,62 201,63 22623,64 5.141,65 0.26,66 0.27,67 3,68 14.678,69 3.886,70 9.155}
{0 CHEMBL419448,6 7.641,13 1,17 3.239,19 -0.79,20 4.601,22 1.643,23 1.111,24 6.263,25 4.505,26 2387,27 5.961,28 12,29 0.222,30 36.875,31 3.258,32 25,33 9.382,34 9.382,35 9.382,36 9.382,37 9.382,38 -0.426,39 3.042,40 115.961,41 -0.218,42 1.869,44 1.681,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.137,53 -0.307,54 4.601,55 10.212,56 123.986,57 3.042,58 4.443,59 2591,60 11.75,61 68.161,62 47,63 2512,64 4.144,65 0.366,66 0.387,68 9.113,69 2.753,70 6.445}
{0 CHEMBL419894,1 2,2 2,3 124.177,4 4.862,5 1,6 11.697,7 4.186,8 2,9 4,10 2,11 22.782,12 1,13 0.6,14 4,15 2,16 4,17 4.536,18 140.604,19 3.762,20 5.226,21 1,22 3.113,23 2.806,24 6.858,25 5.112,26 84391,27 8.649,28 29,29 2.131,30 67.732,31 3.85,32 46,33 18.645,34 18.645,35 18.645,36 18.645,37 18.645,38 1.314,39 3.522,40 219.263,41 1.808,42 3.278,43 1,44 1.976,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.768,53 1.629,54 5.195,55 19.829,56 314.986,57 3.535,58 4.727,59 18745,60 23,61 129.27,62 185,63 20165,64 5.053,65 0.255,66 0.265,67 3,68 14.032,69 3.914,70 7.638}
{0 CHEMBL42,1 2,2 2,4 4.721,6 10.349,8 2,13 0.5,17 4.176,19 4.821,20 4.803,22 2.753,23 2.359,24 6.515,25 4.779,26 17362,27 7.488,28 18,29 1.059,30 49.141,31 3.526,32 33,33 12.863,34 12.863,35 12.863,36 12.863,37 12.863,38 0.822,39 3.11,40 139.121,41 1.212,42 2.834,44 1.909,45 1,46 4,47 25,48 3.296,49 3.296,50 26,51 3.97,52 39.514,53 0.615,54 4.803,55 13.674,56 199.461,57 3.126,58 2.708,59 4878,60 15.75,61 94.845,62 65,63 5148,64 4.495,65 0.262,66 0.277,68 10.71,69 2.958,70 8.538}
{0 CHEMBL420,6 6.92,7 1.409,13 1,15 1,17 2.896,19 1.572,20 4.005,22 0.94,23 0.397,24 5.638,25 4.167,26 790,27 5.159,28 3,29 -0.85,30 26.753,31 2.996,32 19,33 6.878,34 6.878,35 6.878,36 6.878,37 6.878,38 -0.937,39 2.849,40 76.598,41 -1.3,42 1,44 1.375,46 1,47 6,48 2.708,49 2.708,50 14,51 3.367,52 20.352,54 4.005,55 7.558,56 77.263,57 2.815,59 1326,60 8.5,61 58.038,62 33,63 1180,64 3.778,65 0.383,66 0.409,68 6.616,69 2.711,70 5.956}
{0 CHEMBL420060,1 1,2 1,4 7.459,6 8.786,8 4,9 1,11 5.479,13 1,14 1,16 2,17 4.28,19 2.068,20 5.157,22 2.597,23 2.429,24 6.686,25 4.902,26 16047,27 7.312,28 25,29 1.648,30 53.694,31 3.638,32 37,33 15.105,34 15.105,35 15.105,36 15.105,37 15.105,38 0.965,39 3.347,40 194.692,41 1.416,42 2.917,44 1.911,45 2,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 46.61,53 1.095,54 5.157,55 15.961,56 239.994,57 3.342,59 11446,60 20,61 113.812,62 142,63 11721,64 4.836,65 0.253,66 0.26,67 1,68 12.141,69 3.594,70 6.883}
{0 CHEMBL420830,1 2,2 2,3 118.047,4 4.97,5 1,6 11.563,7 4.453,8 2,9 4,10 2,11 22.834,12 1,13 0.6,14 4,15 2,16 4,17 4.56,18 133.656,19 4.273,20 5.226,21 1,22 3.007,23 2.797,24 6.812,25 5.081,26 75450,27 8.564,28 30,29 1.718,30 65.93,31 3.829,32 45,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.312,39 3.522,40 210.592,41 1.799,42 3.144,43 1,44 1.975,45 3,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 55.182,53 1.629,54 5.195,55 19.237,56 303.433,57 3.535,58 4.727,59 17120,60 22.25,61 129.053,62 172,63 18494,64 5.009,65 0.239,66 0.249,67 3,68 14.032,69 3.855,70 8.022}
{0 CHEMBL422597,1 2,2 2,3 109.008,4 4.987,5 1,6 11.397,7 4.462,8 2,9 3,10 2,11 17.249,12 1,13 0.6,14 3,15 2,16 3,17 4.503,18 124.953,19 3.918,20 5.261,21 1,22 2.982,23 2.579,24 6.723,25 5.03,26 62740,27 8.399,28 28,29 1.635,30 62.873,31 3.784,32 43,33 17.263,34 17.263,35 17.263,36 17.263,37 17.263,38 1.081,39 3.519,40 196.874,41 1.525,42 3.095,43 1,44 1.974,45 2,46 5,47 29,48 3.584,49 3.584,50 35,51 4.263,52 52.395,53 1.548,54 5.261,55 18.154,56 277.385,57 3.528,58 4.727,59 14671,60 20.75,61 122.59,62 156,63 16008,64 4.921,65 0.238,66 0.248,67 2,68 13.311,69 3.792,70 8.638}
{0 CHEMBL42335,1 1,2 1,4 2.173,6 10.627,8 1,13 1,17 4.978,19 -1.471,20 5.577,22 3.453,23 3.234,24 7.086,25 5.313,26 48255,27 8.16,28 14,29 2.526,30 77.322,31 4.025,32 55,33 20.475,34 20.475,35 20.475,36 20.475,37 20.475,38 1.423,39 3.635,40 258.705,41 2.258,42 3.535,44 1.928,46 4,47 24,48 3.761,49 3.761,50 42,51 4.443,52 65.422,53 2.403,54 5.577,55 21.114,56 376.807,57 3.64,59 24918,60 24.5,61 141.36,62 227,63 25898,64 5.263,65 0.264,66 0.277,68 15.173,69 3.876,70 5.33}
{0 CHEMBL424917,1 1,2 1,4 4.795,6 11.338,8 2,13 0.75,17 4.651,18 133.551,19 3.058,20 5.124,22 2.732,23 2.609,24 6.841,25 4.999,26 28898,27 7.843,28 18,29 1.193,30 61.185,31 3.726,32 40.5,33 15.696,34 15.696,35 15.696,36 15.696,37 15.696,38 1,39 3.438,40 200.564,41 1.617,42 3.161,43 1,44 1.914,45 1,46 4,47 24,48 3.497,49 3.497,50 32,51 4.174,52 48.614,53 1.088,54 5.124,55 16.391,56 260.988,57 3.443,59 10404,60 19,61 115.032,62 121,63 10898,64 4.833,65 0.249,66 0.261,68 12.566,69 3.413,70 6.914}
{0 CHEMBL425324,1 2,2 2,3 148.773,4 4.981,5 1,6 12.984,7 2.27,8 2,9 3,10 1,11 17.551,12 1,13 0.667,14 3,15 1,16 4,17 4.875,18 164.493,19 3.669,20 5.491,21 1,22 3.215,23 3.135,24 6.961,25 5.291,26 163841,27 9.168,28 26,29 2.178,30 82.034,31 4.043,32 56,33 21.797,34 21.797,35 21.797,36 21.797,37 21.797,38 1.609,39 3.665,40 252.232,41 2.245,42 3.429,43 1,44 1.979,45 2,46 6,47 35,48 3.807,49 3.807,50 44,51 4.489,52 66.306,53 2.5,54 5.491,55 22.74,56 380.266,57 3.673,58 4.727,59 28329,60 26,61 149.557,62 239,63 31073,64 5.249,65 0.233,66 0.245,67 1,68 17.16,69 4.099,70 9.301}
{0 CHEMBL425622,1 1,2 1,4 4.853,6 11.224,8 2,13 0.75,17 4.164,18 126.654,19 6.006,20 4.909,22 2.76,23 2.634,24 6.703,25 4.951,26 24503,27 7.716,28 19,29 1.146,30 59.345,31 3.701,32 39.5,33 15.293,34 15.293,35 15.293,36 15.293,37 15.293,38 1,39 3.555,40 184.769,41 1.652,42 2.978,43 1,44 1.887,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 46.865,53 1.09,54 4.909,55 15.848,56 249.066,57 3.555,59 9318,60 18,61 117.727,62 109,63 9805,64 4.778,65 0.21,66 0.219,68 12.443,69 3.336,70 7.172}
{0 CHEMBL425803,1 1,2 1,4 4.85,6 11.132,8 2,13 0.75,17 4.236,18 121.07,19 6.01,20 4.977,22 2.635,23 2.521,24 6.64,25 4.914,26 22600,27 7.645,28 19,29 1.146,30 57.416,31 3.676,32 38.5,33 14.741,34 14.741,35 14.741,36 14.741,37 14.741,38 1,39 3.524,40 176.509,41 1.529,42 2.924,43 1,44 1.887,45 1,46 4,47 24,48 3.434,49 3.434,50 30,51 4.111,52 44.809,53 0.972,54 4.977,55 15.297,56 235.167,57 3.513,59 8621,60 17.5,61 113.178,62 105,63 9116,64 4.726,65 0.214,66 0.224,68 11.694,69 3.356,70 7.63}
{0 CHEMBL425983,1 1,2 1,4 5.253,6 11.701,8 2,13 0.6,17 4.556,18 255.677,19 5.92,20 5.349,22 2.721,23 2.618,24 6.765,25 5.006,26 49017,27 8.228,28 17,29 1.404,30 62.604,31 3.75,32 41.5,33 16.298,34 16.298,35 16.298,36 16.298,37 16.298,38 1.263,39 3.488,40 187.327,41 1.618,42 2.917,43 2,44 1.947,45 1,46 5,47 30,48 3.526,49 3.526,50 33,51 4.205,52 49.925,53 1.308,54 5.349,55 16.86,56 265.779,57 3.479,59 11087,60 19,61 120.388,62 125,63 12179,64 4.833,65 0.208,66 0.218,68 12.839,69 3.485,70 8.638}
{0 CHEMBL426317,1 1,2 1,4 7.285,6 8.593,7 1.194,8 4,9 1,11 5.306,13 1,14 1,15 1,16 3,17 4.607,19 2.089,20 5.06,22 2.584,23 2.43,24 6.485,25 4.824,26 13331,27 7.155,28 22,29 1.249,30 49.512,31 3.584,32 35,33 14.19,34 14.19,35 14.19,36 14.19,37 14.19,38 0.965,39 3.382,40 173.537,41 1.394,42 2.804,44 1.906,45 4,46 3,47 18,48 3.401,49 3.401,50 29,51 4.078,52 43.195,53 0.836,54 5.06,55 14.955,56 211.426,57 3.381,59 9916,60 18.5,61 104.369,62 130,63 10227,64 4.729,65 0.265,66 0.275,67 1,68 11.299,69 3.677,70 6.963}
{0 CHEMBL426900,6 9.193,9 1,11 6.121,13 1,14 1,17 3.916,19 4.438,20 4.833,22 2.5,23 2.026,24 6.252,25 4.644,26 5812,27 6.593,28 13,29 1,30 43.783,31 3.434,32 30,33 11.359,34 11.359,35 11.359,36 11.359,37 11.359,38 0.556,39 3.178,40 131.606,41 0.876,42 2.601,44 1.768,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.034,53 0.306,54 4.833,55 11.782,56 158.796,57 3.168,58 4.443,59 4183,60 13,61 85.055,62 63,63 4310,64 4.364,65 0.243,66 0.256,67 1,68 8.986,69 3.108,70 6.34}
{0 CHEMBL426959,1 2,2 2,3 125.411,4 6.942,5 1,6 11.498,7 4.5,8 3,9 1,10 2,11 5.93,12 1,13 0.6,14 1,15 2,16 3,17 4.735,18 143.533,19 3.245,20 5.459,21 1,22 2.996,23 2.883,24 6.817,25 5.118,26 74701,27 8.519,28 26,29 1.84,30 68.403,31 3.871,32 47,33 18.82,34 18.82,35 18.82,36 18.82,37 18.82,38 1.406,39 3.548,40 219.671,41 2,42 3.117,43 1,44 1.992,45 2,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 57.314,53 2,54 5.301,55 19.449,56 311.979,57 3.546,58 4.727,59 19077,60 22.25,61 136.998,62 187,63 20673,64 5.053,65 0.224,66 0.233,68 14.685,69 3.843,70 7.959}
{0 CHEMBL428407,1 2,2 2,3 143.782,4 4.405,5 1,6 11.606,8 2,9 4,11 16.452,13 0.5,14 3,17 4.653,18 152.877,19 6.037,20 5.293,22 3.139,23 3.062,24 6.874,25 5.106,26 50982,27 8.321,28 30,29 1.805,30 68.515,31 3.85,32 46,33 18.078,34 18.078,35 18.078,36 18.078,37 18.078,38 1.247,39 3.387,40 225.052,41 2.164,42 3.214,43 1,44 1.925,45 3,46 4,47 23,48 3.638,49 3.638,50 37,51 4.317,52 55.174,53 1.647,54 5.14,55 18.983,56 318.445,57 3.404,58 4.727,59 16020,60 22.75,61 132.127,62 157,63 16420,64 5.052,65 0.24,66 0.249,67 3,68 14.61,69 3.709,70 8.027}
{0 CHEMBL430112,6 5.209,13 0.5,17 3.096,20 4.057,22 -0.211,23 -0.388,24 5.927,25 3.892,26 748,27 5.209,28 1,29 -1.627,30 18.632,31 2.565,32 12,33 5.885,34 5.885,35 5.885,36 5.885,37 5.885,38 -1.64,39 2.68,40 60.965,41 -1.388,44 1.645,46 2,47 10,48 2.565,49 2.565,50 12,51 3.219,52 18.632,54 4.057,55 5.915,56 65.09,57 2.653,58 5.416,59 631,60 6.25,61 47.171,62 18,63 558,64 3.434,65 0.224,66 0.226,68 5.014,69 2.122,70 4.699}
{0 CHEMBL43064,1 2,2 2,4 5.172,6 9.808,7 4.514,8 2,10 2,13 1,15 2,17 3.807,19 4.034,20 4.593,22 2.781,23 2.546,24 6.441,25 4.924,26 13201,27 7.229,28 28,29 1.146,30 58.455,31 3.738,32 41,33 15.381,34 15.381,35 15.381,36 15.381,37 15.381,38 1,39 3.605,40 147.068,41 1.5,42 2.852,44 1.932,45 1,46 4,47 24,48 3.466,49 3.466,50 31,51 4.143,52 45.582,53 1.206,54 4.544,55 15.74,56 234.624,57 3.611,59 10265,60 17,61 119.865,62 118,63 10987,64 4.774,65 0.194,66 0.204,68 11.589,69 3.486,70 6.186}
{0 CHEMBL432155,6 8.346,9 1,11 5.581,13 0.667,14 1,17 3.852,18 64.971,19 4.881,20 4.672,22 1.995,23 1.53,24 6.116,25 4.451,26 4154,27 6.363,28 6,29 -0.018,30 36.434,31 3.239,32 24.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.355,39 3.025,40 117.174,41 0.355,42 2.118,43 1,44 1.652,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.408,53 -0.141,54 4.672,55 10.027,56 120.914,57 3.007,58 4.443,59 2354,60 12,61 66.702,62 44,63 2448,64 4.062,65 0.302,66 0.321,67 1,68 7.291,69 2.848,70 6.799}
{0 CHEMBL43491,1 1,2 1,4 2.299,6 10.579,8 1,13 1,17 4.993,19 -0.74,20 5.548,22 3.38,23 3.194,24 6.923,25 5.22,26 44850,27 8.082,28 14,29 2.111,30 73.053,31 3.951,32 51,33 19.631,34 19.631,35 19.631,36 19.631,37 19.631,38 1.423,39 3.623,40 247.407,41 2.256,42 3.532,44 1.928,46 4,47 24,48 3.714,49 3.714,50 40,51 4.394,52 60.904,53 2,54 5.548,55 20.258,56 344.71,57 3.626,59 22327,60 23.25,61 136.188,62 211,63 23340,64 5.185,65 0.26,66 0.272,68 14.352,69 3.872,70 5.83}
{0 CHEMBL435301,1 1,2 1,4 2.178,6 10.224,8 1,9 1,11 12.575,13 0.25,14 2,16 1,17 4.176,18 56.599,19 4.778,20 4.926,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 0.984,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.728,39 3.283,40 139.921,41 1.341,42 2.831,43 1,44 1.888,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.926,55 13.721,56 203.176,57 3.284,58 4.844,59 4741,60 15,61 92.079,62 66,63 4917,64 4.492,65 0.262,66 0.275,67 1,68 10.989,69 2.884,70 7.585}
{0 CHEMBL435352,1 2,2 2,3 130.771,4 5.035,5 1,6 11.647,7 2.285,8 2,9 3,10 1,11 22.799,12 1,13 0.6,14 4,15 1,16 4,17 4.786,18 147.258,19 3.867,20 5.451,21 1,22 3.01,23 2.797,24 6.806,25 5.118,26 88283,27 8.679,28 31,29 2.168,30 68.576,31 3.871,32 47,33 19.301,34 19.301,35 19.301,36 19.301,37 19.301,38 1.387,39 3.539,40 229.945,41 1.885,42 3.16,43 1,44 1.976,45 3,46 5,47 29,48 3.689,49 3.689,50 39,51 4.369,52 57.792,53 1.858,54 5.451,55 20.433,56 321.773,57 3.546,58 4.727,59 20620,60 23.25,61 137.916,62 197,63 22112,64 5.091,65 0.23,66 0.238,67 2,68 15.044,69 4.01,70 10.523}
{0 CHEMBL43594,1 1,2 1,4 3.582,6 10.646,8 2,13 1,16 1,17 4.884,19 -1.449,20 5.593,22 3.453,23 3.234,24 7.141,25 5.338,26 50212,27 8.204,28 17,29 2.689,30 79.027,31 4.043,32 56,33 20.906,34 20.906,35 20.906,36 20.906,37 20.906,38 1.477,39 3.639,40 265.724,41 2.266,42 3.535,44 1.928,46 4,47 24,48 3.784,49 3.784,50 43,51 4.466,52 67.301,53 2.409,54 5.593,55 21.613,56 392.999,57 3.643,59 26273,60 25.25,61 146.257,62 233,63 27235,64 5.299,65 0.258,66 0.271,68 15.551,69 3.876,70 5.185}
{0 CHEMBL436150,1 1,2 1,4 2.417,6 11.441,8 1,9 1,11 10.907,13 1,14 2,16 4,17 4.736,19 3.006,20 5.437,22 3.47,23 3.277,24 7.235,25 5.432,26 68781,27 8.497,28 25,29 2.143,30 93.649,31 4.174,32 64,33 24.058,34 24.058,35 24.058,36 24.058,37 24.058,38 1.666,39 3.71,40 298.045,41 2.403,42 3.519,44 1.97,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 74.07,53 2.5,54 5.437,55 24.611,56 476.832,57 3.726,59 34989,60 28,61 175.716,62 266,63 36927,64 5.469,65 0.222,66 0.232,68 19.347,69 3.83,70 6.347}
{0 CHEMBL437314,3 48.004,5 1,6 7.801,13 0.5,17 3.664,19 0.254,20 4.431,22 0.724,23 0.515,24 5.916,25 4.256,26 1612,27 5.707,28 6,29 -0.884,30 30.203,31 3.045,32 20,33 7.415,34 7.415,35 7.415,36 7.415,37 7.415,38 -0.949,39 2.834,40 98.117,41 -1,42 1.129,44 1.565,46 2,47 11,48 2.773,49 2.773,50 15,51 3.434,52 22.867,53 -0.764,54 4.431,55 7.692,56 87.957,57 2.83,58 4.727,59 1278,60 8.75,61 55.032,62 30,63 1196,64 3.778,65 0.311,66 0.33,68 6.309,69 2.583,70 5.247}
{0 CHEMBL43860,1 1,2 1,4 2.363,6 10.104,8 1,13 1,17 4.765,19 -0.619,20 5.395,22 3.195,23 2.821,24 6.841,25 5.13,26 36512,27 7.921,28 15,29 1.737,30 68.766,31 3.871,32 47,33 18.71,34 18.71,35 18.71,36 18.71,37 18.71,38 1.334,39 3.615,40 231.648,41 1.949,42 3.418,44 1.923,46 4,47 24,48 3.664,49 3.664,50 38,51 4.344,52 56.841,53 1.533,54 5.395,55 19.32,56 317.863,57 3.617,59 19408,60 22,61 130.451,62 189,63 20422,64 5.101,65 0.256,66 0.267,68 13.634,69 3.854,70 6.504}
{0 CHEMBL440594,1 1,2 1,4 2.53,6 10.98,8 1,13 0.75,17 4.459,18 125.713,19 5.678,20 5.027,22 2.516,23 2.5,24 6.553,25 4.9,26 20913,27 7.529,28 16,29 1.131,30 57.043,31 3.676,32 38.5,33 14.822,34 14.822,35 14.822,36 14.822,37 14.822,38 1,39 3.488,40 176.161,41 1.5,42 2.917,43 1,44 1.832,46 4,47 23,48 3.434,49 3.434,50 30,51 4.111,52 44.019,53 1.194,54 5.027,55 15.315,56 225.782,57 3.479,58 4.443,59 9499,60 17.25,61 113.851,62 116,63 10179,64 4.723,65 0.214,66 0.224,68 11.648,69 3.474,70 7.026}
{0 CHEMBL442,1 1,2 1,3 557.483,4 5.034,5 4,6 13.496,7 2.024,8 3,10 1,11 6.228,13 0.375,14 1,15 1,16 2,17 5.037,18 283.399,19 3.25,20 5.907,22 3.547,23 3.45,24 7.532,25 5.485,26 532843,27 10.254,28 19,29 2.45,30 94.888,31 4.143,32 62,33 24.661,34 24.661,35 24.661,36 24.661,37 24.661,38 1.889,39 3.691,40 311.425,41 2.557,42 3.735,43 2,44 1.933,45 4,46 8,47 45,48 3.932,49 3.932,50 50,51 4.615,52 80.23,53 2.519,54 5.907,55 25.302,56 518.236,57 3.7,58 5.9,59 28585,60 29.75,61 160.241,62 205,63 32205,64 5.401,65 0.235,66 0.247,68 20.338,69 3.67,70 7.921}
{0 CHEMBL442045,6 9.051,9 1,11 6.07,13 1,14 1,17 3.722,19 3.034,20 4.757,22 2.5,23 2.025,24 6.168,25 4.595,26 5005,27 6.474,28 11,29 1,30 42,31 3.401,32 29,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.178,40 125.24,41 0.875,42 2.5,44 1.76,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.447,53 0.305,54 4.757,55 11.416,56 148.148,57 3.168,58 4.443,59 3656,60 13,61 77.857,62 57,63 3791,64 4.296,65 0.267,66 0.283,67 1,68 8.364,69 3.018,70 5.84}
{0 CHEMBL442815,6 7.683,7 1.631,9 2,11 10.57,12 1,13 1,14 2,15 1,16 1,17 3.684,19 1.645,20 4.743,22 1.702,23 1.63,24 5.922,25 4.401,26 2384,27 5.932,28 12,29 0.406,30 33.694,31 3.219,32 24,33 9.364,34 9.364,35 9.364,36 9.364,37 9.364,38 -0.139,39 3.11,40 121.862,41 0.442,42 2.028,44 1.681,45 1,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 27.395,53 -0.317,54 4.743,55 9.908,56 118.642,57 3.14,58 4.443,59 2739,60 11.75,61 69.773,62 50,63 2676,64 4.14,65 0.294,66 0.307,67 1,68 7.204,69 2.997,70 5.51}
{0 CHEMBL445,6 9.655,7 2.388,10 1,13 0.333,15 1,17 3.422,19 5.765,20 4.412,22 2.388,23 1.912,24 6.232,25 4.595,26 8253,27 6.887,28 14,29 0.448,30 41.854,31 3.401,32 29,33 10.868,34 10.868,35 10.868,36 10.868,37 10.868,38 0.339,39 3.232,40 120.322,41 0.814,42 2.736,44 1.834,46 3,47 19,48 3.135,49 3.135,50 22,51 3.807,52 32.061,53 0.304,54 4.412,55 10.965,56 154.558,57 3.212,58 2.708,59 3324,60 11.5,61 87.036,62 51,63 3360,64 4.288,65 0.202,66 0.213,68 8.154,69 2.831,70 6.693}
{0 CHEMBL448620,1 1,2 1,4 2.464,6 11.412,8 1,11 5.16,13 1,14 1,16 2,17 4.736,19 3.266,20 5.371,22 3.471,23 3.277,24 7.233,25 5.432,26 68781,27 8.497,28 25,29 2.15,30 93.589,31 4.174,32 64,33 24.041,34 24.041,35 24.041,36 24.041,37 24.041,38 1.698,39 3.716,40 304.643,41 2.403,42 3.519,44 1.983,46 5,47 30,48 3.912,49 3.912,50 49,51 4.595,52 74.031,53 2.5,54 5.371,55 24.487,56 474.063,57 3.733,59 35445,60 28,61 177.666,62 269,63 37407,64 5.468,65 0.222,66 0.232,68 19.335,69 3.867,70 6.337}
{0 CHEMBL451229,6 7.985,9 1,11 6.189,13 1,14 1,17 3.722,19 2.431,20 4.76,22 2.021,23 2,24 6.168,25 4.516,26 5005,27 6.474,28 9,29 1,30 37.833,31 3.296,32 26,33 10.893,34 10.893,35 10.893,36 10.893,37 10.893,38 0.556,39 3.178,40 131.895,41 0.871,42 2.217,44 1.77,45 1,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 32.374,54 4.76,55 11.316,56 148.148,57 3.168,58 4.443,59 3656,60 12.5,61 81.07,62 57,63 3791,64 4.296,65 0.236,66 0.244,67 1,68 8.364,69 3.018,70 7.395}
{0 CHEMBL451821,1 1,2 1,3 84.87,4 4.761,5 1,6 9.316,7 2.665,8 2,10 1,13 0.2,15 1,17 4.658,18 177.415,20 5.635,22 2.913,23 2.802,24 7.299,25 5.088,26 87323,27 8.859,28 15,29 1.591,30 60.31,31 3.689,32 39,33 18.008,34 18.008,35 18.008,36 18.008,37 18.008,38 1.505,39 3.477,40 216.379,41 1.802,42 3.209,43 2,44 1.897,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 58.415,53 1.593,54 5.635,55 18.353,56 342.407,57 3.468,58 5.587,59 13725,60 20.75,61 137.72,62 139,63 14357,64 5.012,65 0.19,66 0.193,68 15.222,69 3.494,70 7.11}
{0 CHEMBL467094,1 1,2 1,3 54.44,4 2.436,5 1,6 10.981,8 1,9 4,11 22.666,13 0.2,14 4,17 4.374,18 213.432,19 9.565,20 5.04,22 2.55,23 2.206,24 6.862,25 4.89,26 50438,27 8.414,28 15,29 1.666,30 54.317,31 3.584,32 35,33 14.207,34 14.207,35 14.207,36 14.207,37 14.207,38 0.946,39 3.216,40 142.761,41 1.187,42 2.952,43 4,44 1.762,45 1,46 5,47 29,48 3.401,49 3.401,50 29,51 4.078,52 44.495,53 0.862,54 4.909,55 14.947,56 244.341,57 3.228,58 4.595,59 5739,60 17.25,61 94.719,62 69,63 6150,64 4.619,65 0.252,66 0.265,67 4,68 11.192,69 2.861,70 6.742}
{0 CHEMBL470432,1 1,2 1,3 162.822,4 2.57,5 2,6 10.406,8 1,9 1,11 6.186,13 0.5,14 1,17 4.304,19 2.059,20 4.89,22 2.319,23 2.176,24 6.567,25 4.8,26 18247,27 7.496,28 10,29 1.077,30 51.626,31 3.555,32 34,33 13.308,34 13.308,35 13.308,36 13.308,37 13.308,38 0.847,39 3.416,40 161.372,41 1.114,42 2.759,44 1.783,45 2,46 4,47 22,48 3.332,49 3.332,50 27,51 4.007,52 40.813,53 0.676,54 4.89,55 14.257,56 200.096,57 3.397,58 5.352,59 6454,60 16,61 101.046,62 87,63 6825,64 4.553,65 0.255,66 0.267,67 1,68 10.95,69 3.353,70 6.13}
{0 CHEMBL47313,6 7.654,9 1,11 5.506,13 1,14 1,17 3.822,19 1.45,20 4.914,22 2.18,23 1.768,24 6.019,25 4.494,26 5312,27 6.471,28 10,29 0.674,30 37.005,31 3.296,32 26,33 10.921,34 10.921,35 10.921,36 10.921,37 10.921,38 0.523,39 3.268,40 130.327,41 0.693,42 2.464,44 1.668,46 3,47 17,48 3.135,49 3.135,50 22,51 3.807,52 31.794,53 0.079,54 4.914,55 11.372,56 142.408,57 3.245,58 4.443,59 3957,60 12.5,61 80.753,62 62,63 4151,64 4.295,65 0.236,66 0.244,68 8.272,69 3.145,70 7.97}
{0 CHEMBL475306,3 119.011,4 2.117,5 1,6 10.789,8 1,9 1,11 15.922,13 0.667,14 3,16 1,17 4.185,19 6.366,20 4.849,22 2.792,23 2.532,24 6.725,25 4.927,26 16900,27 7.525,28 20,29 1.447,30 58.131,31 3.689,32 39,33 15.179,34 15.179,35 15.179,36 15.179,37 15.179,38 1.052,39 3.278,40 188.532,41 1.532,42 3.004,44 1.819,45 5,46 3,47 17,48 3.466,49 3.466,50 31,51 4.143,52 45.411,53 1.021,54 4.849,55 16.358,56 259.801,57 3.285,58 4.844,59 9024,60 19.5,61 111.973,62 105,63 8892,64 4.822,65 0.256,66 0.266,67 1,68 12.131,69 3.325,70 6}
{0 CHEMBL476569,1 2,2 2,4 4.861,6 10.041,8 2,9 3,11 17.599,13 0.75,14 3,16 1,17 5.087,18 178.478,19 2.559,20 5.69,22 2.925,23 2.81,24 6.603,25 5.024,26 41870,27 7.991,28 26,29 1.566,30 62.735,31 3.807,32 44,33 18.297,34 18.297,35 18.297,36 18.297,37 18.297,38 1.374,39 3.51,40 219.98,41 1.893,42 2.93,43 1,44 1.919,45 4,46 4,47 25,48 3.638,49 3.638,50 37,51 4.317,52 53.33,53 1.786,54 5.518,55 19.433,56 291.817,57 3.492,58 2.708,59 19353,60 22.75,61 131.308,62 195,63 20478,64 5.057,65 0.237,66 0.244,67 3,68 14.156,69 4.007,70 8.42}
{0 CHEMBL476774,1 2,2 2,4 4.868,6 9.529,8 2,9 2,11 11.938,13 0.75,14 2,16 2,17 4.142,18 143.082,19 2.273,20 5.482,22 2.81,23 2.627,24 6.475,25 4.905,26 25215,27 7.622,28 23,29 1.37,30 55.901,31 3.689,32 39,33 15.848,34 15.848,35 15.848,36 15.848,37 15.848,38 1.219,39 3.404,40 184.603,41 1.643,42 2.926,43 1,44 1.909,45 3,46 4,47 25,48 3.497,49 3.497,50 32,51 4.174,52 46.777,53 1.067,54 5.271,55 16.75,56 239.315,57 3.409,58 2.708,59 12304,60 19.75,61 111.03,62 145,63 13243,64 4.83,65 0.252,66 0.262,67 2,68 12.266,69 3.749,70 7.804}
{0 CHEMBL476839,1 1,2 1,4 2.473,6 9.336,8 1,9 2,11 10.919,13 1,14 2,17 4.582,19 4.375,20 5.185,22 2.504,23 2.5,24 6.535,25 4.86,26 15238,27 7.302,28 21,29 1.093,30 53.7,31 3.638,32 37,33 15.175,34 15.175,35 15.175,36 15.175,37 15.175,38 0.983,39 3.316,40 196.923,41 1.5,42 2.917,44 1.94,45 1,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 44.844,53 1.111,54 5.185,55 15.93,56 238.648,57 3.311,59 11119,60 17.75,61 114.747,62 132,63 11341,64 4.824,65 0.233,66 0.24,67 2,68 11.559,69 3.678,70 6.845}
{0 CHEMBL477608,1 2,2 2,4 4.881,6 10.133,8 2,9 2,11 12.003,13 0.75,14 2,16 2,17 4.948,18 174.733,19 2.862,20 5.399,22 2.926,23 2.866,24 6.77,25 5.063,26 41329,27 7.991,28 23,29 1.489,30 63.946,31 3.807,32 44,33 18.33,34 18.33,35 18.33,36 18.33,37 18.33,38 1.378,39 3.541,40 232.458,41 2.016,42 3.086,43 1,44 1.927,45 3,46 4,47 25,48 3.638,49 3.638,50 37,51 4.317,52 54.861,53 1.414,54 5.23,55 19.351,56 300.079,57 3.53,58 2.708,59 18482,60 22.75,61 135.341,62 187,63 19546,64 5.062,65 0.234,66 0.241,67 2,68 15.341,69 3.839,70 7.516}
{0 CHEMBL477816,1 2,2 2,4 4.849,6 11.595,8 2,9 3,11 17.838,13 0.8,14 3,16 3,17 5.003,18 185.425,19 3.034,20 5.676,22 2.974,23 2.926,24 6.735,25 5.15,26 68313,27 8.352,28 28,29 1.568,30 71.92,31 3.932,32 50,33 19.825,34 19.825,35 19.825,36 19.825,37 19.825,38 1.378,39 3.662,40 223.757,41 2.065,42 3.087,43 1,44 1.943,45 3,46 5,47 31,48 3.714,49 3.714,50 40,51 4.394,52 58.586,53 2.146,54 5.44,55 20.95,56 328.476,57 3.667,58 2.708,59 22412,60 24.25,61 137.584,62 209,63 24469,64 5.144,65 0.239,66 0.25,67 3,68 15.316,69 3.968,70 7.602}
{0 CHEMBL478026,1 2,2 2,4 4.787,6 11.585,8 2,9 3,11 17.749,13 0.8,14 3,16 3,17 4.844,18 187.535,19 3.024,20 5.438,22 2.974,23 2.926,24 6.725,25 5.133,26 64816,27 8.314,28 28,29 1.549,30 70.871,31 3.912,32 49,33 19.325,34 19.325,35 19.325,36 19.325,37 19.325,38 1.374,39 3.65,40 212.487,41 2.06,42 3.037,43 1,44 1.986,45 3,46 5,47 30,48 3.689,49 3.689,50 39,51 4.369,52 57.382,53 2,54 5.192,55 20.448,56 314.597,57 3.659,59 21291,60 23.75,61 132.719,62 205,63 23299,64 5.103,65 0.244,66 0.255,67 3,68 14.962,69 3.966,70 8.523}
{0 CHEMBL479,1 1,2 1,4 5.122,6 10.029,8 2,13 0.5,16 1,17 4.484,18 165.615,19 6.863,20 5.251,22 2.601,23 2.414,24 6.572,25 4.804,26 20635,27 7.597,28 18,29 1.454,30 50.304,31 3.555,32 34,33 13.775,34 13.775,35 13.775,36 13.775,37 13.775,38 0.978,39 3.313,40 152.525,41 1.414,42 2.712,43 2,44 1.834,46 4,47 24,48 3.367,49 3.367,50 28,51 4.043,52 41.631,53 0.771,54 5.251,55 14.738,56 217.118,57 3.29,59 6416,60 15.5,61 113.669,62 77,63 6754,64 4.616,65 0.235,66 0.245,68 11.853,69 3.101,70 6.767}
{0 CHEMBL481,1 1,2 1,3 224.927,4 6.049,5 2,6 13.324,7 1.732,8 3,9 2,10 1,11 11.065,13 0.429,14 2,15 1,16 3,17 5.147,18 284.802,19 3.089,20 5.605,22 3.483,23 3.329,24 7.386,25 5.424,26 437570,27 10.102,28 17,29 2.366,30 89.787,31 4.103,32 59.5,33 23.974,34 23.974,35 23.974,36 23.974,37 23.974,38 1.834,39 3.576,40 300.043,41 2.441,42 3.646,43 2,44 2.04,45 1,46 7,47 41,48 3.912,49 3.912,50 49,51 4.595,52 76.175,53 2.197,54 5.605,55 24.906,56 484.539,57 3.579,58 4.844,59 31656,60 29.25,61 161.329,62 239,63 34804,64 5.392,65 0.232,66 0.242,68 19.291,69 3.916,70 5.499}
{0 CHEMBL48341,6 8.154,9 1,11 5.584,13 0.75,14 1,17 4.005,19 1.471,20 5.085,22 2.288,23 2.162,24 6.365,25 4.649,26 10483,27 7.036,28 10,29 1,30 42.685,31 3.401,32 29,33 12.409,34 12.409,35 12.409,36 12.409,37 12.409,38 0.649,39 3.392,40 142.056,41 1.129,42 2.5,44 1.741,46 4,47 21,48 3.258,49 3.258,50 25,51 3.932,52 37.33,53 0.5,54 5.085,55 12.855,56 172.539,57 3.371,58 5.733,59 5278,60 14,61 87.971,62 73,63 5710,64 4.43,65 0.228,66 0.236,68 9.482,69 3.225,70 6.91}
{0 CHEMBL483993,3 123.514,4 2.122,5 1,6 10.89,8 1,9 1,11 16.079,13 0.667,14 3,16 1,17 4.44,19 7.525,20 4.893,22 2.928,23 2.532,24 6.792,25 4.963,26 18623,27 7.609,28 19,29 1.693,30 60.094,31 3.714,32 40,33 15.657,34 15.657,35 15.657,36 15.657,37 15.657,38 1.102,39 3.283,40 192.139,41 1.532,42 3.055,44 1.82,45 5,46 3,47 17,48 3.497,49 3.497,50 32,51 4.174,52 47.146,53 1.166,54 4.893,55 16.826,56 274.427,57 3.29,58 4.844,59 9756,60 20,61 117.014,62 110,63 9587,64 4.872,65 0.25,66 0.259,67 1,68 12.661,69 3.34,70 6}
{0 CHEMBL484158,3 107.175,5 1,6 10.689,9 1,11 5.007,13 0.667,14 1,17 4.208,19 3.087,20 4.808,22 3.008,23 2.425,24 6.742,25 4.898,26 14574,27 7.414,28 6,29 0.936,30 56.192,31 3.638,32 37,33 14.087,34 14.087,35 14.087,36 14.087,37 14.087,38 0.618,39 3.294,40 181.754,41 1.403,42 3.104,44 1.871,45 2,46 3,47 17,48 3.401,49 3.401,50 29,51 4.078,52 43.268,53 0.769,54 4.808,55 15.107,56 239.069,57 3.303,58 4.844,59 7359,60 17.75,61 103.846,62 92,63 7242,64 4.722,65 0.291,66 0.304,67 1,68 11.472,69 3.242,70 6}
{0 CHEMBL488974,1 2,2 2,4 4.849,6 11.595,8 2,9 3,11 17.838,13 0.8,14 3,16 3,17 5.003,18 185.425,19 3.034,20 5.676,22 2.974,23 2.926,24 6.735,25 5.15,26 68313,27 8.352,28 28,29 1.568,30 71.92,31 3.932,32 50,33 19.825,34 19.825,35 19.825,36 19.825,37 19.825,38 1.378,39 3.662,40 223.757,41 2.065,42 3.087,43 1,44 1.943,45 3,46 5,47 31,48 3.714,49 3.714,50 40,51 4.394,52 58.586,53 2.146,54 5.44,55 20.95,56 328.476,57 3.667,58 2.708,59 22412,60 24.25,61 137.584,62 209,63 24469,64 5.144,65 0.239,66 0.25,67 3,68 15.316,69 3.968,70 8.036}
{0 CHEMBL490632,1 1,2 1,4 2.432,6 9.354,8 1,9 2,11 10.817,13 1,14 2,16 1,17 4.582,19 3.993,20 5.111,21 1,22 2.541,23 2.5,24 6.535,25 4.883,26 15238,27 7.302,28 20,29 1.233,30 54.73,31 3.664,32 38,33 15.175,34 15.175,35 15.175,36 15.175,37 15.175,38 1,39 3.316,40 190.976,41 1.5,42 2.917,44 1.94,45 1,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 45.019,53 1.128,54 5.111,55 15.813,56 238.648,57 3.313,59 11119,60 17.75,61 114.121,62 132,63 11341,64 4.824,65 0.237,66 0.245,67 2,68 11.559,69 3.678,70 6.812}
{0 CHEMBL49137,6 8.964,13 0.667,17 3.852,18 64.971,19 2.109,20 4.615,22 1.79,23 1.536,24 6.116,25 4.486,26 4154,27 6.363,28 6,29 -0.179,30 37.882,31 3.277,32 25.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.362,39 3.039,40 109.555,41 0.358,42 2.252,43 1,44 1.681,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.145,53 -0.302,54 4.548,55 9.915,56 120.914,57 3.023,58 4.443,59 2354,60 12,61 65.913,62 44,63 2448,64 4.062,65 0.281,66 0.302,68 7.291,69 2.848,70 7.569}
{0 CHEMBL491419,1 2,2 2,4 4.976,6 11.582,8 2,9 3,11 23.989,13 0.8,14 4,16 3,17 4.8,18 178.314,19 4.019,20 5.646,22 2.942,23 2.926,24 6.663,25 5.103,26 66909,27 8.324,28 30,29 1.516,30 69.143,31 3.892,32 48,33 19.358,34 19.358,35 19.358,36 19.358,37 19.358,38 1.377,39 3.661,40 214.371,41 2.065,42 2.996,43 1,44 1.934,45 4,46 5,47 31,48 3.689,49 3.689,50 39,51 4.369,52 56.53,53 1.905,54 5.411,55 20.646,56 312.316,57 3.666,58 2.708,59 21360,60 23.5,61 135.674,62 204,63 23410,64 5.104,65 0.232,66 0.242,67 3,68 14.789,69 3.973,70 8.385}
{0 CHEMBL491420,1 2,2 2,4 4.805,6 13.285,8 2,9 4,11 18.013,13 0.833,14 3,16 6,17 4.939,18 185.579,19 4.55,20 5.65,22 3.017,23 2.969,24 6.843,25 5.224,26 134288,27 8.94,28 26,29 1.622,30 78.259,31 3.998,32 53.5,33 20.852,34 20.852,35 20.852,36 20.852,37 20.852,38 1.469,39 3.658,40 226.005,41 2.116,42 3.161,43 1,44 1.916,45 5,46 6,47 36,48 3.761,49 3.761,50 42,51 4.443,52 62.401,53 2.286,54 5.529,55 22.088,56 356.281,57 3.665,58 4.727,59 23783,60 25.75,61 137.02,62 210,63 26444,64 5.181,65 0.247,66 0.26,67 3,68 16.083,69 3.961,70 8.746}
{0 CHEMBL492444,6 9.568,9 2,11 11.853,13 0.75,14 2,16 1,17 3.916,18 81.199,19 3.883,20 4.831,22 2.5,23 2.088,24 6.344,25 4.691,26 11241,27 7.138,28 15,29 1,30 45.967,31 3.466,32 31,33 11.897,34 11.897,35 11.897,36 11.897,37 11.897,38 0.58,39 3.179,40 119.098,41 1.001,42 2.617,43 1,44 1.691,45 2,46 4,47 23,48 3.219,49 3.219,50 24,51 3.892,52 36.116,53 0.5,54 4.831,55 12.501,56 166.726,57 3.183,58 4.443,59 4518,60 14,61 79.76,62 70,63 4909,64 4.361,65 0.269,66 0.287,67 2,68 9.109,69 3.196,70 5.8}
{0 CHEMBL492445,6 9.568,9 2,11 11.853,13 0.75,14 2,16 1,17 3.916,18 81.199,19 3.871,20 4.831,22 2.5,23 2.096,24 6.344,25 4.691,26 11241,27 7.138,28 15,29 1,30 45.982,31 3.466,32 31,33 11.897,34 11.897,35 11.897,36 11.897,37 11.897,38 0.58,39 3.179,40 119.098,41 1.015,42 2.63,43 1,44 1.692,45 2,46 4,47 23,48 3.219,49 3.219,50 24,51 3.892,52 36.129,53 0.5,54 4.831,55 12.501,56 167.672,57 3.183,58 4.443,59 4376,60 14,61 79.76,62 65,63 4741,64 4.365,65 0.269,66 0.287,67 2,68 9.109,69 3.147,70 5.9}
{0 CHEMBL492639,6 7.843,7 1.662,9 2,11 10.895,12 1,13 1,14 2,15 1,16 1,17 3.932,19 1.663,20 4.84,22 2.021,23 1.686,24 5.943,25 4.437,26 2777,27 6.033,28 11,29 0.701,30 34.943,31 3.258,32 25,33 9.864,34 9.864,35 9.864,36 9.864,37 9.864,38 0.038,39 3.178,40 129.706,41 0.652,42 2.103,44 1.74,45 1,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 28.666,53 -0.262,54 4.84,55 10.474,56 126.709,57 3.168,58 4.443,59 3240,60 12.25,61 74.521,62 56,63 3171,64 4.215,65 0.283,66 0.294,67 1,68 7.558,69 3.105,70 6.235}
{0 CHEMBL492648,6 9.766,9 2,11 17.902,13 0.75,14 3,16 1,17 4.002,18 89.171,19 3.449,20 4.9,22 2.5,23 2.111,24 6.642,25 4.779,26 12663,27 7.267,28 17,29 1.079,30 48.995,31 3.526,32 33,33 12.747,34 12.747,35 12.747,36 12.747,37 12.747,38 0.716,39 3.207,40 137.13,41 1.029,42 2.677,43 1,44 1.734,45 4,46 4,47 23,48 3.296,49 3.296,50 26,51 3.97,52 39.118,53 0.592,54 4.9,55 13.237,56 198.853,57 3.223,58 4.443,59 4948,60 15.5,61 85.979,62 66,63 5235,64 4.497,65 0.27,66 0.286,67 2,68 9.857,69 3.002,70 6.61}
{0 CHEMBL49284,6 7.847,13 0.667,17 3.852,18 64.971,19 4.708,20 4.712,22 1.784,23 1.488,24 6.116,25 4.413,26 4154,27 6.363,28 10,29 -0.083,30 34.293,31 3.178,32 23,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.362,39 3.032,40 108.655,41 0.344,42 1.995,43 1,44 1.681,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.233,53 -0.404,54 4.595,55 9.915,56 120.914,57 3.015,58 4.443,59 2354,60 12,61 72.939,62 44,63 2448,64 4.062,65 0.27,66 0.282,68 7.291,69 2.848,70 6.921}
{0 CHEMBL493,1 1,2 1,3 564.535,4 5.133,5 4,6 12.58,7 2.04,8 3,10 1,11 6.442,13 0.286,14 1,15 1,16 2,17 5.24,18 284.748,19 3.328,20 5.751,22 3.562,23 3.331,24 7.579,25 5.449,26 377147,27 10.002,28 14,29 2.248,30 90.095,31 4.078,32 58,33 24.089,34 24.089,35 24.089,36 24.089,37 24.089,38 1.902,39 3.587,40 317.644,41 2.524,42 3.68,43 2,44 1.947,45 4,46 7,47 39,48 3.912,49 3.912,50 49,51 4.595,52 79.13,53 2.426,54 5.751,55 25.021,56 521.296,57 3.591,58 5.938,59 26674,60 29.25,61 165.586,62 197,63 29092,64 5.403,65 0.242,66 0.251,68 21.243,69 3.59,70 6.284}
{0 CHEMBL493272,6 9.671,9 2,11 12.048,13 0.75,14 2,16 1,17 4.011,18 78.5,19 3.795,20 4.831,22 2.5,23 2.097,24 6.375,25 4.691,26 11219,27 7.138,28 15,29 1,30 45.975,31 3.466,32 31,33 11.897,34 11.897,35 11.897,36 11.897,37 11.897,38 0.622,39 3.179,40 119.098,41 1.02,42 2.661,43 1,44 1.704,45 2,46 4,47 23,48 3.219,49 3.219,50 24,51 3.892,52 36.104,53 0.5,54 4.831,55 12.491,56 169.844,57 3.183,58 4.443,59 4261,60 14,61 79.76,62 64,63 4601,64 4.363,65 0.269,66 0.287,67 2,68 9.034,69 3.084,70 6.09}
{0 CHEMBL493675,6 7.492,7 1.353,9 2,11 5.786,12 1,13 1,14 1,15 1,16 1,17 3.617,19 1.412,20 4.726,22 1.688,23 1.242,24 5.9,25 4.363,26 2030,27 5.823,28 9,29 0.182,30 32.444,31 3.178,32 23,33 8.864,34 8.864,35 8.864,36 8.864,37 8.864,38 -0.463,39 3.06,40 116.39,41 0.052,42 2.026,44 1.681,45 1,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.117,53 -0.427,54 4.726,55 9.344,56 110.42,57 3.081,58 4.443,59 2312,60 11,61 64.876,62 45,63 2257,64 4.06,65 0.307,66 0.323,67 1,68 6.851,69 2.906,70 6.47}
{0 CHEMBL49395,6 8.821,13 0.667,17 3.5,18 60.521,19 0.973,20 4.533,22 1.767,23 1.253,24 5.943,25 4.428,26 3668,27 6.248,28 7,29 -0.558,30 35.718,31 3.239,32 24.5,33 8.938,34 8.938,35 8.938,36 8.938,37 8.938,38 -0.593,39 2.837,40 96.017,41 -0.077,42 2.16,43 1,44 1.681,45 1,46 3,47 17,48 2.944,49 2.944,50 18,51 3.611,52 26.319,53 -0.476,54 4.459,55 9.471,56 108.596,57 2.842,58 4.443,59 2109,60 11.5,61 60.872,62 42,63 2221,64 3.975,65 0.292,66 0.317,68 6.87,69 2.877,70 5.85}
{0 CHEMBL494678,1 1,2 1,4 4.522,6 9.286,8 2,13 1,16 1,17 3.914,19 3.482,20 4.453,22 2.5,23 2.499,24 6.326,25 4.736,26 7330,27 6.816,28 16,29 1,30 45.591,31 3.497,32 32,33 11.786,34 11.786,35 11.786,36 11.786,37 11.786,38 0.464,39 3.03,40 139.604,41 1,42 2.71,44 1.811,45 1,46 3,47 18,48 3.219,49 3.219,50 24,51 3.892,52 37.071,53 0.5,54 4.453,55 12.426,56 170.237,57 3.056,59 4776,60 15,61 88.663,62 72,63 4866,64 4.427,65 0.258,66 0.274,68 9.541,69 3.257,70 6.538}
{0 CHEMBL494885,6 8.064,9 1,11 6.091,13 1,14 1,17 3.616,19 1.965,20 4.558,22 2.367,23 1.947,24 6.043,25 4.543,26 2982,27 6.178,28 15,29 0.944,30 40.23,31 3.367,32 28,33 10.432,34 10.432,35 10.432,36 10.432,37 10.432,38 0.553,39 3.031,40 101.477,41 0.747,42 2.5,44 1.682,45 1,46 3,47 17,48 3.091,49 3.091,50 21,51 3.761,52 30.738,53 0.159,54 4.501,55 10.843,56 137.934,57 3.031,58 4.443,59 3118,60 12,61 74.743,62 48,63 3240,64 4.221,65 0.259,66 0.276,67 1,68 7.846,69 2.844,70 6.9}
{0 CHEMBL495095,6 7.382,7 1.887,9 1,10 1,11 5.941,13 1,14 1,15 1,17 3.617,19 2.073,20 4.765,22 1.692,23 1.385,24 5.9,25 4.363,26 2030,27 5.823,28 12,29 -0.222,30 32.07,31 3.178,32 23,33 8.864,34 8.864,35 8.864,36 8.864,37 8.864,38 -0.466,39 3.178,40 118.654,41 0.056,42 2.028,44 1.681,45 1,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.119,53 -0.5,54 4.765,55 9.288,56 110.42,57 3.168,58 4.443,59 2312,60 10.5,61 69.165,62 45,63 2257,64 4.06,65 0.262,66 0.274,67 1,68 6.851,69 2.906,70 7.185}
{0 CHEMBL495096,6 7.846,9 1,11 6.149,13 1,14 1,17 3.577,19 2.42,20 4.656,22 1.949,23 1.681,24 6.151,25 4.483,26 4129,27 6.34,28 9,29 0.618,30 36.501,31 3.258,32 25,33 10.393,34 10.393,35 10.393,36 10.393,37 10.393,38 0.556,39 3.178,40 126.173,41 0.651,42 2.039,44 1.751,45 1,46 3,47 16,48 3.091,49 3.091,50 21,51 3.761,52 30.895,53 -0.285,54 4.656,55 10.816,56 138.475,57 3.168,58 5.13,59 3185,60 12,61 76.469,62 52,63 3305,64 4.223,65 0.244,66 0.253,67 1,68 8.01,69 2.936,70 7.57}
{0 CHEMBL495097,6 9.775,7 1.675,9 2,11 11.366,12 1,13 1,14 2,15 1,16 1,17 4.002,19 2.711,20 5.075,22 2.623,23 2.5,24 6.196,25 4.736,26 7967,27 6.736,28 16,29 1.03,30 48.125,31 3.555,32 34,33 12.882,34 12.882,35 12.882,36 12.882,37 12.882,38 0.719,39 3.178,40 152.166,41 1.5,42 2.673,44 1.78,45 1,46 3,47 17,48 3.296,49 3.296,50 26,51 3.97,52 37.781,53 0.643,54 5.075,55 13.446,56 178.366,57 3.168,58 4.443,59 6887,60 15.25,61 94.386,62 93,63 7203,64 4.556,65 0.259,66 0.273,67 1,68 9.851,69 3.447,70 5.45}
{0 CHEMBL496,6 8.733,13 1,17 2.678,19 0.516,20 3.792,22 1.781,23 1.781,24 6.521,25 4.644,26 3868,27 6.385,28 2,29 0.779,30 43.746,31 3.367,32 28,33 10.685,34 10.685,35 10.685,36 10.685,37 10.685,39 2.9,40 83.362,41 0.686,42 1.827,44 1.314,46 2,47 12,48 3.135,49 3.135,50 22,51 3.807,52 33.868,53 -0.137,54 3.792,55 12.246,56 162.804,57 2.877,59 3538,60 13,61 88.012,62 58,63 3350,64 4.372,65 0.344,66 0.368,68 11.53,69 2.813,70 5.575}
{0 CHEMBL50588,1 1,2 1,4 2.717,6 11.181,8 1,9 4,11 22.505,13 0.4,14 4,17 4.708,18 384.501,19 8.932,20 5.165,22 3.09,23 2.839,24 7.015,25 5.118,26 98805,27 8.875,28 24,29 2.026,30 67.417,31 3.829,32 45,33 18.942,34 18.942,35 18.942,36 18.942,37 18.942,38 1.438,39 3.36,40 224.127,41 1.881,42 3.21,43 3,44 1.924,45 2,46 5,47 30,48 3.689,49 3.689,50 39,51 4.369,52 57.799,53 1.604,54 5.032,55 19.921,56 356.356,57 3.373,59 16047,60 22.75,61 139.749,62 148,63 16887,64 5.102,65 0.215,66 0.221,67 4,68 14.792,69 3.582,70 6.74}
{0 CHEMBL506214,3 104.408,5 1,6 10.746,9 2,11 11.048,13 0.667,14 2,16 1,17 4.431,19 6.712,20 5.101,22 3.086,23 2.458,24 6.749,25 4.898,26 14646,27 7.422,28 9,29 1.094,30 56.118,31 3.638,32 37,33 14.109,34 14.109,35 14.109,36 14.109,37 14.109,38 0.53,39 3.293,40 179.97,41 1.446,42 3.201,44 1.846,45 2,46 3,47 17,48 3.401,49 3.401,50 29,51 4.078,52 43.211,53 0.825,54 4.99,55 14.978,56 241.509,57 3.3,58 4.844,59 7163,60 17.75,61 105.805,62 88,63 7030,64 4.722,65 0.254,66 0.265,67 2,68 11.672,69 3.195,70 6}
{0 CHEMBL50719,6 7.614,9 1,11 5.493,13 1,14 1,17 3.827,19 1.44,20 4.821,22 2.179,23 1.759,24 6.004,25 4.46,26 4688,27 6.4,28 10,29 0.395,30 35.784,31 3.258,32 25,33 10.438,34 10.438,35 10.438,36 10.438,37 10.438,38 0.222,39 3.145,40 124.44,41 0.665,42 2.422,44 1.668,46 3,47 17,48 3.091,49 3.091,50 21,51 3.761,52 30.475,53 -0.041,54 4.821,55 10.889,56 135.127,57 3.123,58 4.443,59 3311,60 12,61 76.152,62 54,63 3464,64 4.221,65 0.244,66 0.253,68 7.931,69 3.021,70 7.18}
{0 CHEMBL50720,6 7.692,9 1,11 5.517,13 1,14 1,17 3.63,19 1.46,20 5.001,22 2.182,23 2.085,24 6.038,25 4.527,26 5980,27 6.538,28 10,29 1,30 38.34,31 3.332,32 27,33 11.421,34 11.421,35 11.421,36 11.421,37 11.421,38 0.523,39 3.368,40 135.898,41 1.065,42 2.473,44 1.694,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 33.018,53 0.169,54 5.001,55 11.872,56 149.874,57 3.345,58 4.443,59 4687,60 13,61 85.354,62 71,63 4926,64 4.365,65 0.23,66 0.237,68 8.626,69 3.258,70 7.53}
{0 CHEMBL508112,3 148.279,5 2,6 11.075,13 0.5,17 2.522,19 2.158,20 3.807,22 2.829,23 1.847,24 6.308,25 4.727,26 11838,27 7.106,28 8,29 0.453,30 49.602,31 3.526,32 33,33 11.426,34 11.426,35 11.426,36 11.426,37 11.426,38 0.304,39 3.271,40 74.606,41 0.652,42 2.88,44 1.336,46 4,47 22,48 3.178,49 3.178,50 23,51 3.85,52 34.671,53 0.5,54 3.807,55 12.773,56 153.047,57 3.19,58 5.416,59 4198,60 12.5,61 91.699,62 68,63 4613,64 4.3,65 0.315,66 0.351,68 11.642,69 3.187,70 5.78}
{0 CHEMBL514837,1 2,2 2,4 4.867,6 10.133,8 2,9 3,11 17.693,13 0.75,14 3,16 3,17 5.087,18 175.121,19 2.569,20 5.69,22 2.926,23 2.81,24 6.624,25 5.024,26 41870,27 7.991,28 25,29 1.489,30 62.679,31 3.807,32 44,33 18.291,34 18.291,35 18.291,36 18.291,37 18.291,38 1.374,39 3.507,40 224.121,41 1.895,42 2.956,43 1,44 1.917,45 3,46 4,47 25,48 3.638,49 3.638,50 37,51 4.317,52 53.283,53 1.806,54 5.518,55 19.413,56 294.641,57 3.489,58 2.708,59 18864,60 22.75,61 131.68,62 190,63 19958,64 5.059,65 0.237,66 0.244,67 3,68 14.072,69 3.94,70 8.319}
{0 CHEMBL515170,6 8.518,7 2.013,10 2,11 5.135,13 0.667,14 1,15 2,17 4.134,19 -4.633,20 4.833,22 2.597,23 2.215,24 6.929,25 4.832,26 7595,27 6.952,28 5,29 0.887,30 48,31 3.497,32 32,33 13.166,34 13.166,35 13.166,36 13.166,37 13.166,38 0.264,39 3.331,40 156.096,41 1.028,42 2.863,44 1.705,45 1,46 3,47 16,48 3.332,49 3.332,50 27,51 4.007,52 42.219,53 0.221,54 4.833,55 14.074,56 227.244,57 3.35,58 5.476,59 5229,60 16,61 80.867,62 63,63 5155,64 4.615,65 0.317,66 0.33,68 8.873,69 2.671,70 4.983}
{0 CHEMBL515331,1 2,2 2,4 4.808,6 12.074,8 2,9 3,11 17.824,13 0.8,14 3,16 3,17 5.143,18 197.989,19 3.126,20 5.819,22 3.086,23 2.981,24 6.806,25 5.239,26 84243,27 8.514,28 27,29 2.135,30 76.185,31 4.007,32 54,33 20.736,34 20.736,35 20.736,36 20.736,37 20.736,38 1.378,39 3.662,40 241.098,41 2.065,42 3.375,43 1,44 1.948,45 3,46 5,47 31,48 3.761,49 3.761,50 42,51 4.443,52 62.672,53 2.303,54 5.645,55 21.88,56 353.52,57 3.667,58 2.708,59 25804,60 25.5,61 143.322,62 230,63 27951,64 5.221,65 0.243,66 0.255,67 3,68 16.119,69 4.031,70 8.721}
{0 CHEMBL516,1 1,2 1,4 2.427,6 10.88,7 4.521,8 1,10 2,13 0.5,15 2,17 3.641,19 5.451,20 4.292,22 2.736,23 2.34,24 6.475,25 4.762,26 15496,27 7.385,28 17,29 0.746,30 48.618,31 3.526,32 33,33 12.369,34 12.369,35 12.369,36 12.369,37 12.369,38 0.733,39 3.228,40 124.056,41 1.109,42 2.858,44 1.914,46 4,47 25,48 3.258,49 3.258,50 25,51 3.932,52 38.146,53 0.613,54 4.199,55 12.539,56 189.525,57 3.215,58 2.708,59 4226,60 13.25,61 95.998,62 56,63 4475,64 4.432,65 0.197,66 0.209,68 9.591,69 2.813,70 5.894}
{0 CHEMBL516088,1 1,2 1,4 2.338,6 9.354,8 1,9 2,11 10.767,13 1,14 2,16 1,17 4.582,19 2.16,20 5.08,21 1,22 2.541,23 2.5,24 6.535,25 4.883,26 15238,27 7.302,28 20,29 1.233,30 54.73,31 3.664,32 38,33 15.175,34 15.175,35 15.175,36 15.175,37 15.175,38 1,39 3.284,40 188.715,41 1.5,42 2.917,44 1.934,45 1,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 45.019,53 1.128,54 5.08,55 15.938,56 238.648,57 3.295,59 11119,60 18,61 109.297,62 132,63 11341,64 4.824,65 0.255,66 0.265,67 2,68 10.937,69 3.678,70 6.478}
{0 CHEMBL518592,1 1,2 1,4 4.844,6 9.689,8 2,9 3,11 17.39,13 0.75,14 3,16 1,17 4.374,18 114.647,19 3.818,20 4.987,22 2.812,23 2.466,24 6.472,25 4.787,26 19661,27 7.501,28 24,29 1.146,30 49.936,31 3.555,32 34,33 13.797,34 13.797,35 13.797,36 13.797,37 13.797,38 0.965,39 3.32,40 142.001,41 1.458,42 2.917,43 1,44 1.888,45 4,46 4,47 24,48 3.367,49 3.367,50 28,51 4.043,52 41.294,53 0.69,54 4.849,55 14.741,56 205.44,57 3.322,59 7579,60 17,61 97.717,62 101,63 8150,64 4.618,65 0.25,66 0.261,67 3,68 10.617,69 3.436,70 7.56}
{0 CHEMBL522151,6 9.671,9 2,11 12.048,13 0.75,14 2,16 1,17 3.916,18 78.5,19 3.777,20 4.831,22 2.5,23 2.091,24 6.375,25 4.691,26 11219,27 7.138,28 15,29 1,30 45.962,31 3.466,32 31,33 11.897,34 11.897,35 11.897,36 11.897,37 11.897,38 0.624,39 3.179,40 119.098,41 1.01,42 2.676,43 1,44 1.706,45 2,46 4,47 23,48 3.219,49 3.219,50 24,51 3.892,52 36.089,53 0.5,54 4.831,55 12.491,56 171.077,57 3.183,58 4.443,59 4119,60 14,61 79.76,62 59,63 4433,64 4.365,65 0.269,66 0.287,67 2,68 9.034,69 3.011,70 5.5}
{0 CHEMBL523048,6 10.144,9 1,11 6.477,13 1,14 1,17 4.084,19 4.186,20 5.047,22 2.5,23 2.5,24 6.428,25 4.856,26 9595,27 7.024,28 19,29 1,30 55.202,31 3.664,32 38,33 13.897,34 13.897,35 13.897,36 13.897,37 13.897,38 1,39 3.542,40 126.918,41 1.5,42 2.869,44 1.839,45 1,46 4,47 23,48 3.367,49 3.367,50 28,51 4.043,52 41.429,53 0.78,54 4.942,55 14.297,56 212.605,57 3.558,58 4.443,59 6481,60 15.5,61 99.879,62 80,63 6911,64 4.619,65 0.23,66 0.245,67 1,68 10.449,69 3.109,70 6.4}
{0 CHEMBL524153,1 2,2 2,4 4.849,6 11.595,8 2,9 3,11 17.838,13 0.8,14 3,16 3,17 5.003,18 185.425,19 3.034,20 5.676,22 2.974,23 2.926,24 6.735,25 5.15,26 68313,27 8.352,28 28,29 1.568,30 71.92,31 3.932,32 50,33 19.825,34 19.825,35 19.825,36 19.825,37 19.825,38 1.378,39 3.662,40 223.757,41 2.065,42 3.087,43 1,44 1.943,45 3,46 5,47 31,48 3.714,49 3.714,50 40,51 4.394,52 58.586,53 2.146,54 5.44,55 20.95,56 328.476,57 3.667,58 2.708,59 22412,60 24.25,61 137.584,62 209,63 24469,64 5.144,65 0.239,66 0.25,67 3,68 15.316,69 3.968,70 8.721}
{0 CHEMBL531,1 1,2 1,3 105.303,4 2.795,5 2,6 9.77,8 1,13 0.25,17 4.278,18 114.637,19 3.146,20 5.137,22 2.323,23 2.095,24 6.594,25 4.705,26 20236,27 7.675,28 13,29 1.114,30 45.408,31 3.434,32 30,33 12.328,34 12.328,35 12.328,36 12.328,37 12.328,38 0.74,39 3.343,40 157.085,41 1.092,42 2.678,43 2,44 1.778,46 4,47 23,48 3.258,49 3.258,50 25,51 3.932,52 37.948,53 0.405,54 5.137,55 12.896,56 191.199,57 3.325,58 4.727,59 4247,60 13.75,61 97.262,62 61,63 4402,64 4.429,65 0.227,66 0.236,68 9.902,69 2.886,70 5.851}
{0 CHEMBL537669,1 1,2 1,3 113.369,4 2.588,5 2,6 10.632,8 1,9 1,11 5.042,13 0.2,14 1,17 4.364,18 115.18,19 2.755,20 5.378,22 2.862,23 2.642,24 6.853,25 4.916,26 55192,27 8.458,28 13,29 1.454,30 54.818,31 3.611,32 36,33 14.747,34 14.747,35 14.747,36 14.747,37 14.747,38 1.174,39 3.236,40 185.229,41 1.655,42 3.005,43 2,44 1.908,46 5,47 29,48 3.434,49 3.434,50 30,51 4.111,52 46.483,53 0.831,54 5.378,55 15.184,56 248.97,57 3.255,58 4.844,59 6932,60 17.25,61 99.63,62 84,63 7458,64 4.675,65 0.243,66 0.254,68 11.686,69 3.131,70 7.567}
{0 CHEMBL54,1 1,2 1,4 2.28,6 8.852,8 1,13 1,17 4.162,19 1.804,20 4.758,21 1,22 2.5,23 2.5,24 6.564,25 4.828,26 10300,27 6.987,28 14,29 1,30 51.079,31 3.584,32 35,33 13.749,34 13.749,35 13.749,36 13.749,37 13.749,38 0.983,39 3.432,40 164.308,41 1.5,42 2.856,44 1.888,46 3,47 18,48 3.367,49 3.367,50 28,51 4.043,52 41.72,53 0.647,54 4.758,55 14.349,56 203.622,57 3.425,59 8734,60 15.75,61 102.592,62 117,63 9030,64 4.672,65 0.268,66 0.279,68 11.269,69 3.649,70 5.734}
{0 CHEMBL540035,6 7.197,13 1,17 3.625,19 2.509,20 4.658,22 1.635,23 1.045,24 5.727,25 4.256,26 1878,27 5.733,28 12,29 -0.288,30 29.617,31 3.091,32 21,33 8.386,34 8.386,35 8.386,36 8.386,37 8.386,38 -0.624,39 3.043,40 108.411,41 -0.17,42 1.856,44 1.681,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.031,53 -0.551,54 4.658,55 9.105,56 98.868,57 3.04,58 4.443,59 2061,60 10,61 71.845,62 42,63 2030,64 3.972,65 0.284,66 0.296,68 6.978,69 2.898,70 6.57}
{0 CHEMBL540542,6 7.052,13 1,17 3.323,19 2.456,20 4.548,22 1.499,23 0.799,24 5.694,25 4.212,26 1580,27 5.609,28 13,29 -0.337,30 28.374,31 3.045,32 20,33 7.848,34 7.848,35 7.848,36 7.848,37 7.848,38 -0.791,39 3.041,40 98.677,41 -0.532,42 1.731,44 1.681,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 22.681,53 -0.604,54 4.548,55 8.449,56 90.675,57 3.034,58 4.443,59 1730,60 9.5,61 67.097,62 38,63 1707,64 3.882,65 0.298,66 0.311,68 6.407,69 2.798,70 6.84}
{0 CHEMBL542402,6 7.323,13 1,17 3.5,19 1.751,20 4.607,22 1.628,23 0.916,24 5.844,25 4.324,26 1845,27 5.733,28 13,29 -0.272,30 31.509,31 3.135,32 22,33 8.395,34 8.395,35 8.395,36 8.395,37 8.395,38 -0.782,39 3.042,40 105.051,41 -0.497,42 1.858,44 1.681,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.894,53 -0.5,54 4.607,55 9.107,56 100.768,57 3.039,58 4.443,59 2008,60 10.25,61 68.469,62 41,63 1970,64 3.975,65 0.323,66 0.34,68 7.516,69 2.799,70 5.15}
{0 CHEMBL544290,6 7.537,13 1,17 3.169,19 0.935,20 4.601,22 1.632,23 1,24 6.138,25 4.449,26 2112,27 5.846,28 13,29 -0.009,30 35.197,31 3.219,32 24,33 8.905,34 8.905,35 8.905,36 8.905,37 8.905,38 -0.767,39 3.042,40 109.471,41 -0.482,42 1.86,44 1.681,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.577,53 -0.5,54 4.601,55 9.633,56 112.278,57 3.039,58 4.443,59 2294,60 11,61 67.945,62 44,63 2237,64 4.063,65 0.335,66 0.354,68 9.113,69 2.78,70 5.4}
{0 CHEMBL553276,6 7.324,13 1,17 3.617,19 2.503,20 4.517,22 1.659,23 1.152,24 5.832,25 4.324,26 2178,27 5.846,28 11,29 0.151,30 31.425,31 3.135,32 22,33 8.921,34 8.921,35 8.921,36 8.921,37 8.921,38 -0.596,39 3.043,40 116.012,41 -0.046,42 1.872,44 1.712,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.01,53 -0.5,54 4.517,55 9.614,56 108.484,57 3.04,58 4.443,59 2400,60 10.5,61 76.263,62 46,63 2357,64 4.06,65 0.272,66 0.282,68 7.95,69 2.921,70 6.78}
{0 CHEMBL554416,6 7.717,13 1,17 3.827,19 1.016,20 4.807,22 1.86,23 1.632,24 6.225,25 4.516,26 2758,27 6.047,28 12,29 0.559,30 37.597,31 3.296,32 26,33 9.842,34 9.842,35 9.842,36 9.842,37 9.842,38 -0.355,39 3.218,40 129.316,41 0.579,42 2.167,44 1.716,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 28.99,53 -0.305,54 4.807,55 10.643,56 131.23,57 3.165,58 4.443,59 3072,60 12,61 77.217,62 53,63 2991,64 4.219,65 0.306,66 0.32,68 9.422,69 2.953,70 5.58}
{0 CHEMBL555146,1 1,2 1,3 107.622,4 2.497,5 1,6 10.526,8 1,9 1,13 0.75,16 1,17 4.547,19 1.677,20 5.111,21 1,22 2.523,23 2.5,24 6.586,25 4.905,26 19401,27 7.52,28 13,29 1.189,30 56.912,31 3.664,32 38,33 14.293,34 14.293,35 14.293,36 14.293,37 14.293,38 1,39 3.416,40 160.775,41 1.445,42 3.015,44 1.905,46 4,47 22,48 3.401,49 3.401,50 29,51 4.078,52 44.175,53 0.837,54 5.111,55 14.552,56 217.194,57 3.417,58 5.352,59 8384,60 16.25,61 100.619,62 107,63 8917,64 4.669,65 0.246,66 0.261,68 10.934,69 3.489,70 5}
{0 CHEMBL564,1 1,2 1,4 4.709,6 9.319,8 2,13 0.333,16 1,17 3.522,18 127.321,19 5.4,20 4.234,22 2.416,23 1.872,24 6.282,25 4.585,26 7884,27 6.867,28 18,29 0.568,30 41.138,31 3.367,32 28,33 10.903,34 10.903,35 10.903,36 10.903,37 10.903,38 0.057,39 3.157,40 113.858,41 0.784,42 2.702,43 2,44 1.849,46 3,47 18,48 3.135,49 3.135,50 22,51 3.807,52 32.701,53 0.208,54 4.234,55 11.564,56 153.147,57 3.155,59 3446,60 12.5,61 88.952,62 53,63 3474,64 4.289,65 0.246,66 0.258,68 9.283,69 2.887,70 6.597}
{0 CHEMBL569933,6 7.197,9 1,11 5.615,13 1,14 1,17 3.625,19 2.643,20 4.653,22 1.635,23 1.045,24 5.727,25 4.256,26 1878,27 5.733,28 10,29 -0.338,30 29.617,31 3.091,32 21,33 8.386,34 8.386,35 8.386,36 8.386,37 8.386,38 -0.641,39 3.026,40 106.868,41 -0.17,42 1.856,44 1.682,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.031,53 -0.551,54 4.595,55 8.818,56 98.868,57 3.024,58 4.443,59 2061,60 10,61 64.827,62 42,63 2030,64 3.972,65 0.266,66 0.276,68 6.321,69 2.898,70 6.56}
{0 CHEMBL570863,6 6.949,9 1,11 5.717,13 1,14 1,17 3.507,19 2.47,20 4.518,22 1.067,23 0.691,24 5.82,25 4.241,26 1431,27 5.572,28 9,29 -0.745,30 28.923,31 3.045,32 20,33 7.895,34 7.895,35 7.895,36 7.895,37 7.895,38 -0.85,39 3.02,40 97.526,41 -0.51,42 1.748,44 1.681,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.473,53 -0.605,54 4.454,55 8.348,56 93.078,57 2.994,58 4.443,59 1655,60 9.5,61 60.043,62 36,63 1623,64 3.884,65 0.278,66 0.29,68 6.289,69 2.738,70 6.57}
{0 CHEMBL570973,6 7.382,7 1.914,9 1,10 1,11 5.789,13 1,14 1,15 1,17 3.572,19 2.456,20 4.765,22 1.748,23 1.257,24 5.905,25 4.363,26 2022,27 5.823,28 12,29 -0.098,30 32.153,31 3.178,32 23,33 8.87,34 8.87,35 8.87,36 8.87,37 8.87,38 -0.406,39 3.226,40 116.654,41 -0.194,42 2.146,44 1.681,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 26.082,53 -0.5,54 4.708,55 9.324,56 110.762,57 3.215,58 4.443,59 2296,60 10.5,61 69.289,62 44,63 2241,64 4.059,65 0.262,66 0.274,68 6.861,69 2.873,70 7.185}
{0 CHEMBL571314,6 6.751,9 1,11 5.636,13 1,14 1,17 3.093,19 1.17,20 4.209,22 0.784,23 0.558,24 5.631,25 4.167,26 1190,27 5.425,28 10,29 -0.945,30 27.189,31 2.996,32 19,33 7.427,34 7.427,35 7.427,36 7.427,37 7.427,38 -1,39 2.735,40 87.387,41 -0.964,42 1.744,44 1.68,46 2,47 11,48 2.773,49 2.773,50 15,51 3.434,52 21.91,53 -0.921,54 4.209,55 7.882,56 82.688,57 2.715,58 4.443,59 1426,60 9,61 55.002,62 33,63 1412,64 3.784,65 0.292,66 0.306,68 5.762,69 2.753,70 6.715}
{0 CHEMBL576078,6 7.258,9 1,11 5.823,13 1,14 1,17 3.572,19 2.645,20 4.736,22 1.746,23 1.054,24 5.905,25 4.324,26 2022,27 5.823,28 9,29 -0.1,30 31.417,31 3.135,32 22,33 8.87,34 8.87,35 8.87,36 8.87,37 8.87,38 -0.406,39 3.226,40 114.146,41 -0.168,42 2.1,44 1.682,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 25.969,53 -0.5,54 4.682,55 9.324,56 110.762,57 3.215,58 4.443,59 2296,60 10.5,61 69.245,62 44,63 2241,64 4.059,65 0.256,66 0.265,68 6.861,69 2.873,70 6.83}
{0 CHEMBL576623,6 7.492,9 1,11 5.855,13 1,14 1,17 3.455,19 2.769,20 4.593,22 1.747,23 1.054,24 6.12,25 4.413,26 2614,27 6.019,28 9,29 -0.099,30 33.686,31 3.178,32 23,33 9.399,34 9.399,35 9.399,36 9.399,37 9.399,38 -0.403,39 3.226,40 111.419,41 -0.165,42 2.143,44 1.681,46 3,47 14,48 2.996,49 2.996,50 19,51 3.664,52 28.426,53 -0.358,54 4.536,55 9.853,56 118.54,57 3.215,58 5.778,59 2393,60 11,61 67.39,62 43,63 2489,64 4.062,65 0.262,66 0.274,68 7.313,69 2.779,70 7.25}
{0 CHEMBL576819,6 6.884,9 1,11 5.509,13 1,14 1,17 3.236,19 2.468,20 4.423,22 1.054,23 0.642,24 5.624,25 4.167,26 1317,27 5.472,28 10,29 -0.785,30 27.131,31 2.996,32 19,33 7.411,34 7.411,35 7.411,36 7.411,37 7.411,38 -1.032,39 2.989,40 88.077,41 -0.926,42 1.654,44 1.637,46 2,47 11,48 2.773,49 2.773,50 15,51 3.434,52 21.525,53 -0.918,54 4.352,55 7.842,56 81.999,57 2.973,58 4.443,59 1460,60 9,61 55.625,62 35,63 1448,64 3.785,65 0.292,66 0.306,68 5.75,69 2.763,70 5.54}
{0 CHEMBL584554,3 184.837,4 3.698,5 2,6 11.89,7 2.113,8 2,10 1,13 0.4,15 1,16 2,17 4.75,18 197.666,19 3.078,20 5.248,22 2.98,23 2.88,24 6.946,25 5.136,26 61179,27 8.538,28 16,29 1.581,30 69.578,31 3.871,32 47,33 17.647,34 17.647,35 17.647,36 17.647,37 17.647,38 1.265,39 3.465,40 220.439,41 1.972,42 3.208,43 2,44 1.943,46 5,47 29,48 3.611,49 3.611,50 36,51 4.29,52 55.13,53 1.618,54 5.248,55 18.106,56 321.8,57 3.472,58 4.727,59 11928,60 21,61 126.355,62 115,63 12649,64 4.969,65 0.234,66 0.247,68 13.881,69 3.224,70 6.668}
{0 CHEMBL588119,6 7.145,13 1,17 4.056,19 2.268,20 5.013,22 2.126,23 1.795,24 5.989,25 4.472,26 2949,27 6.061,28 9,29 0.712,30 36.268,31 3.296,32 26,33 11.316,34 11.316,35 11.316,36 11.316,37 11.316,38 0.318,39 3.45,40 159.372,41 0.77,42 2.5,44 1.839,46 1,47 6,48 3.178,49 3.178,50 23,51 3.85,52 32.03,53 0.172,54 4.944,55 11.884,56 149.385,57 3.419,59 6167,60 12.25,61 104.037,62 98,63 5809,64 4.483,65 0.215,66 0.217,68 9.972,69 3.642,70 5.463}
{0 CHEMBL590615,3 238.902,5 4,6 9.844,11 6.632,13 0.286,14 1,17 3.75,18 386.79,19 0.958,20 5.249,22 2.668,23 2.204,24 7.182,25 4.887,26 83566,27 8.9,28 7,29 1.189,30 50.589,31 3.466,32 31,33 13.904,34 13.904,35 13.904,36 13.904,37 13.904,38 0.869,39 3.17,40 127.874,41 1.188,42 2.723,43 6,44 1.788,46 7,47 35,48 3.367,49 3.367,50 28,51 4.043,52 46.209,53 0.539,54 5.249,55 14.309,56 216.981,57 3.156,58 6.845,59 5324,60 15.25,61 80.097,62 68,63 6266,64 4.433,65 0.249,66 0.262,68 10.422,69 2.981,70 7.699}
{0 CHEMBL595449,1 1,2 1,4 2.036,6 10.218,8 1,13 1,16 1,17 4.287,19 4.789,20 4.531,22 2.726,23 2.533,24 6.678,25 4.885,26 10284,27 7.129,28 16,29 1,30 55.467,31 3.624,32 36.5,33 13.85,34 13.85,35 13.85,36 13.85,37 13.85,38 1,39 3.429,40 172.181,41 1.546,42 2.947,44 1.868,45 2,46 3,47 17,48 3.367,49 3.367,50 28,51 4.043,52 43.805,53 0.658,54 4.531,55 14.367,56 219.517,57 3.423,58 4.727,59 7048,60 16.25,61 104.27,62 87,63 7025,64 4.667,65 0.238,66 0.25,68 12.304,69 3.156,70 5}
{0 CHEMBL597,4 2.149,6 8.316,8 1,13 1,17 3.368,19 3.537,20 4.853,22 2.359,23 2.03,24 6.229,25 4.644,26 3842,27 6.394,28 14,29 0.936,30 43.917,31 3.434,32 30,33 11.381,34 11.381,35 11.381,36 11.381,37 11.381,38 0.556,39 3.134,40 134.348,41 0.898,42 2.5,44 1.706,45 1,46 3,47 17,48 3.178,49 3.178,50 23,51 3.85,52 34.173,53 0.339,54 4.853,55 11.856,56 160.447,57 3.133,58 4.443,59 3988,60 13.5,61 84.115,62 56,63 4086,64 4.364,65 0.258,66 0.272,68 9.102,69 2.879,70 7.446}
{0 CHEMBL602850,1 1,2 1,3 223.891,4 2.481,5 4,6 10.089,8 1,13 0.286,17 3.971,18 362.05,19 0.915,20 5.249,22 2.658,23 2.567,24 7.235,25 4.902,26 102841,27 9.094,28 7,29 0.814,30 51.2,31 3.466,32 31,33 13.894,34 13.894,35 13.894,36 13.894,37 13.894,38 0.783,39 3.15,40 127.874,41 1.571,42 2.707,43 6,44 1.758,46 7,47 35,48 3.367,49 3.367,50 28,51 4.043,52 46.867,53 0.522,54 5.249,55 14.255,56 222.47,57 3.133,58 6.874,59 5029,60 15.25,61 80.64,62 64,63 5866,64 4.432,65 0.249,66 0.262,68 10.556,69 2.929,70 5}
{0 CHEMBL608560,1 1,2 1,3 200.492,4 2.401,5 4,6 10.069,8 1,13 0.286,17 3.749,18 324.486,19 0.857,20 5.183,22 2.651,23 2.441,24 7.231,25 4.879,26 92956,27 9.043,28 7,29 0.773,30 49.811,31 3.434,32 30,33 13.411,34 13.411,35 13.411,36 13.411,37 13.411,38 0.761,39 3.111,40 118.025,41 1.438,42 2.69,43 6,44 1.743,46 7,47 35,48 3.332,49 3.332,50 27,51 4.007,52 45.508,53 0.197,54 5.183,55 13.765,56 215.024,57 3.098,58 6.874,59 4203,60 14.75,61 75.886,62 55,63 4899,64 4.365,65 0.257,66 0.272,68 10.214,69 2.804,70 5}
{0 CHEMBL611,4 3.913,6 10.057,8 2,9 2,11 16.207,13 0.75,14 3,16 1,17 4.423,18 128.854,19 2.116,20 4.907,22 2.725,23 2.371,24 6.723,25 4.918,26 23248,27 7.716,28 19,29 1.355,30 56.102,31 3.651,32 37.5,33 15.147,34 15.147,35 15.147,36 15.147,37 15.147,38 0.965,39 3.261,40 185.341,41 1.325,42 2.886,43 1,44 1.761,45 4,46 4,47 23,48 3.466,49 3.466,50 31,51 4.143,52 46.257,53 1.187,54 4.869,55 16.259,56 247.474,57 3.299,58 4.443,59 9610,60 20,61 105.251,62 114,63 10102,64 4.777,65 0.276,66 0.287,67 2,68 12.019,69 3.501,70 6.661}
{0 CHEMBL61861,1 1,2 1,4 1.647,6 8.393,8 1,9 1,11 5.882,13 1,14 1,16 1,17 3.613,19 0.464,20 4.839,22 2.5,23 2.5,24 6.46,25 4.787,26 4865,27 6.538,28 17,29 1,30 49.542,31 3.555,32 34,33 13.345,34 13.345,35 13.345,36 13.345,37 13.345,38 1,39 3.245,40 157.051,41 1.5,42 2.905,44 1.887,45 1,46 2,47 12,48 3.332,49 3.332,50 27,51 4.007,52 40.633,53 0.5,54 4.839,55 14.215,56 199.465,57 3.264,59 7492,60 16,61 91.897,62 95,63 7295,64 4.669,65 0.292,66 0.305,67 1,68 9.832,69 3.32,70 5}
{0 CHEMBL621,1 1,2 1,3 117.748,4 7.97,5 1,6 9.58,7 7.356,8 4,10 3,13 0.75,15 4,16 1,17 4.258,19 1.969,20 5.043,22 2.749,23 2.532,24 6.541,25 4.864,26 20214,27 7.487,28 19,29 1.199,30 51.989,31 3.611,32 36,33 14.326,34 14.326,35 14.326,36 14.326,37 14.326,38 1.012,39 3.375,40 162.511,41 1.514,42 2.819,44 1.907,45 2,46 4,47 23,48 3.401,49 3.401,50 29,51 4.078,52 44.275,53 0.896,54 5.043,55 15.265,56 212.114,57 3.373,58 4.844,59 8965,60 18,61 105.955,62 117,63 9662,64 4.676,65 0.276,66 0.29,68 11.715,69 3.549,70 5.712}
{0 CHEMBL629,1 1,2 1,4 2.242,6 9.759,7 2.42,8 1,10 1,13 0.333,15 1,17 3.63,19 5.789,20 4.289,22 2.598,23 1.986,24 6.293,25 4.644,26 9194,27 6.966,28 17,29 0.516,30 43.803,31 3.434,32 30,33 11.386,34 11.386,35 11.386,36 11.386,37 11.386,38 0.461,39 3.243,40 123.628,41 0.908,42 2.736,44 1.876,46 3,47 19,48 3.178,49 3.178,50 23,51 3.85,52 34.27,53 0.336,54 4.289,55 11.554,56 164.766,57 3.232,58 2.708,59 3832,60 12.25,61 92.331,62 56,63 3867,64 4.36,65 0.197,66 0.207,68 8.983,69 2.871,70 7.229}
{0 CHEMBL6310,3 73.388,5 2,6 8.499,9 1,11 5.219,13 0.333,14 1,17 3.374,19 3.699,20 4.487,22 1.525,23 0.748,24 6.116,25 4.363,26 3979,27 6.375,28 10,29 -0.519,30 33.471,31 3.135,32 22,33 8.353,34 8.353,35 8.353,36 8.353,37 8.353,38 -0.679,39 2.947,40 100.842,41 -0.709,42 1.706,44 1.547,46 3,47 17,48 2.89,49 2.89,50 17,51 3.555,52 25.463,53 -0.551,54 4.487,55 8.73,56 105.362,57 2.946,58 4.844,59 1593,60 10,61 60.042,62 35,63 1615,64 3.878,65 0.284,66 0.302,67 1,68 6.455,69 2.681,70 5.759}
{0 CHEMBL643,1 1,2 1,4 4.721,6 9.319,8 2,13 0.333,17 3.522,18 125.319,19 5.337,20 4.215,22 2.327,23 1.895,24 6.365,25 4.605,26 7668,27 6.867,28 17,29 0.588,30 41.69,31 3.367,32 28,33 10.861,34 10.861,35 10.861,36 10.861,37 10.861,38 0.032,39 3.067,40 115.858,41 0.816,42 2.702,43 2,44 1.849,45 1,46 3,47 18,48 3.135,49 3.135,50 22,51 3.807,52 33.309,53 0.117,54 4.215,55 11.513,56 157.201,57 3.059,59 3252,60 12.5,61 88.504,62 50,63 3258,64 4.295,65 0.246,66 0.258,68 9.416,69 2.756,70 5.614}
{0 CHEMBL6437,1 1,2 1,4 5.063,6 9.958,8 2,13 0.25,17 4.322,19 5.895,20 5.003,22 2.476,23 2.167,24 6.454,25 4.654,26 16399,27 7.441,28 18,29 0.39,30 43.241,31 3.401,32 29,33 11.397,34 11.397,35 11.397,36 11.397,37 11.397,38 0.151,39 3.072,40 112.348,41 1.138,42 2.754,44 1.825,45 1,46 4,47 25,48 3.178,49 3.178,50 23,51 3.85,52 34.983,53 0.214,54 4.884,55 11.736,56 169.949,57 3.056,58 2.708,59 3193,60 13,61 84.499,62 51,63 3389,64 4.299,65 0.22,66 0.232,68 8.898,69 2.678,70 7.478}
{0 CHEMBL647,6 7.122,13 1,17 2.974,19 2.13,20 4.084,22 1,23 0.647,24 5.927,25 4.27,26 1525,27 5.649,28 6,29 -0.321,30 29.828,31 3.045,32 20,33 7.895,34 7.895,35 7.895,36 7.895,37 7.895,38 -0.555,39 2.849,40 90.096,41 -0.671,42 1.628,44 1.627,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.772,53 -0.5,54 4.084,55 8.718,56 95.48,57 2.815,58 4.443,59 1584,60 10.25,61 63.789,62 34,63 1527,64 3.882,65 0.362,66 0.382,68 7.323,69 2.675,70 7.523}
{0 CHEMBL64894,4 4.252,6 9.685,7 8.782,8 2,10 4,13 1,15 4,17 2.636,19 4.852,20 3.883,22 2.7,23 2.5,24 6.629,25 4.956,26 8592,27 7.043,28 30,29 1,30 59.321,31 3.714,32 40,33 14.734,34 14.734,35 14.734,36 14.734,37 14.734,38 1,39 3.365,40 166.175,41 1.5,42 2.732,44 1.966,46 3,47 18,48 3.434,49 3.434,50 30,51 4.111,52 46.539,53 0.885,54 3.883,55 15.226,56 240.125,57 3.376,59 8712,60 17.25,61 123.864,62 96,63 8700,64 4.77,65 0.202,66 0.211,68 12.334,69 3.209,70 5.725}
{0 CHEMBL654,1 1,2 1,4 4.924,6 9.958,8 2,13 0.25,17 4.322,19 5.454,20 4.958,22 2.476,23 2.167,24 6.454,25 4.654,26 16399,27 7.441,28 16,29 0.39,30 43.241,31 3.401,32 29,33 11.397,34 11.397,35 11.397,36 11.397,37 11.397,38 0.149,39 3.051,40 118.44,41 1.138,42 2.754,44 1.818,45 1,46 4,47 25,48 3.178,49 3.178,50 23,51 3.85,52 34.983,53 0.214,54 4.907,55 11.834,56 169.949,57 3.038,58 2.708,59 3193,60 13.5,61 82.655,62 51,63 3389,64 4.299,65 0.235,66 0.248,68 8.898,69 2.678,70 6.7}
{0 CHEMBL679,6 6.227,13 1,17 3.547,19 0.178,20 4.441,22 0.412,23 0.022,24 5.638,25 4.016,26 612,27 5.03,28 9,29 -1.188,30 23.132,31 2.833,32 16,33 6.327,34 6.327,35 6.327,36 6.327,37 6.327,38 -1.3,39 2.746,40 88.437,41 -1.384,42 0.728,44 1.429,46 1,47 6,48 2.639,49 2.639,50 13,51 3.296,52 18.718,54 4.364,55 6.633,56 70.925,57 2.748,59 1028,60 7.75,61 48.657,62 28,63 891,64 3.669,65 0.323,66 0.334,68 5.294,69 2.678,70 5.611}
{0 CHEMBL70326,6 7.632,13 1,17 3.461,19 -0.228,20 4.601,22 1.683,23 1.116,24 6.229,25 4.505,26 2387,27 5.961,28 12,29 0.372,30 37.01,31 3.258,32 25,33 9.388,34 9.388,35 9.388,36 9.388,37 9.388,38 -0.648,39 3.041,40 115.961,41 -0.166,42 1.899,44 1.681,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.284,53 -0.307,54 4.601,55 10.235,56 122.943,57 3.044,58 4.443,59 2636,60 11.75,61 68.161,62 48,63 2560,64 4.143,65 0.366,66 0.387,68 9.113,69 2.86,70 5.15}
{0 CHEMBL70563,6 7.632,13 1,17 3.461,19 1.143,20 4.601,22 1.683,23 1.116,24 6.229,25 4.505,26 2387,27 5.961,28 12,29 0.384,30 37.01,31 3.258,32 25,33 9.388,34 9.388,35 9.388,36 9.388,37 9.388,38 -0.566,39 3.057,40 115.961,41 -0.166,42 1.899,44 1.681,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.284,53 -0.307,54 4.601,55 10.382,56 122.943,57 3.053,58 4.443,59 2636,60 11.75,61 72.75,62 48,63 2560,64 4.143,65 0.366,66 0.387,68 10.155,69 2.86,70 5.2}
{0 CHEMBL70634,6 7.635,13 1,17 3.35,19 1.234,20 4.601,22 1.637,23 1.16,24 6.229,25 4.505,26 2387,27 5.961,28 12,29 0.229,30 36.926,31 3.258,32 25,33 9.388,34 9.388,35 9.388,36 9.388,37 9.388,38 -0.5,39 3.047,40 115.961,41 -0.186,42 1.861,44 1.681,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.195,53 -0.307,54 4.601,55 10.383,56 122.995,57 3.044,58 4.443,59 2622,60 11.75,61 72.75,62 47,63 2544,64 4.144,65 0.366,66 0.387,68 10.155,69 2.78,70 5.32}
{0 CHEMBL70676,6 8.964,13 0.667,17 3.852,18 64.971,19 2.066,20 4.607,22 1.79,23 1.536,24 6.116,25 4.486,26 4154,27 6.363,28 6,29 -0.098,30 37.882,31 3.277,32 25.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.206,39 3.216,40 102.382,41 0.358,42 2.252,43 1,44 1.681,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.145,53 -0.302,54 4.533,55 10.253,56 120.914,57 2.919,58 4.443,59 2354,60 12,61 73.28,62 44,63 2448,64 4.062,65 0.327,66 0.354,68 8.291,69 2.848,70 6.39}
{0 CHEMBL70691,6 7.304,9 1,11 5.231,13 1,14 1,17 3.455,19 3.171,20 4.631,22 1.603,23 1.424,24 5.883,25 4.324,26 2120,27 5.858,28 15,29 0.625,30 31.41,31 3.135,32 22,33 8.759,34 8.759,35 8.759,36 8.759,37 8.759,38 -0.37,39 3.048,40 116.444,41 0.335,42 1.816,44 1.681,46 2,47 11,48 2.944,49 2.944,50 18,51 3.611,52 25.476,53 -0.5,54 4.631,55 9.547,56 109.576,57 3.034,58 4.443,59 2362,60 11,61 73.56,62 45,63 2309,64 4.059,65 0.31,66 0.322,67 1,68 7.21,69 2.902,70 6.22}
{0 CHEMBL70692,6 7.189,13 1,17 3.625,19 1.295,20 4.548,22 1.533,23 0.947,24 5.872,25 4.284,26 1831,27 5.74,28 12,29 0.03,30 30.239,31 3.091,32 21,33 8.315,34 8.315,35 8.315,36 8.315,37 8.315,38 -0.435,39 3.041,40 105.168,41 -0.359,42 1.782,44 1.681,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.376,53 -0.5,54 4.548,55 9.018,56 101.221,57 3.037,58 4.443,59 1999,60 10.25,61 67.313,62 41,63 1958,64 3.975,65 0.332,66 0.347,68 6.407,69 2.791,70 6.66}
{0 CHEMBL707,4 3.806,6 11.84,8 2,9 4,11 22.292,13 0.6,14 4,16 3,17 4.84,18 315.665,19 3.267,20 5.142,22 2.931,23 2.903,24 6.913,25 5.125,26 68523,27 8.522,28 23,29 1.954,30 69.806,31 3.861,32 46.5,33 18.118,34 18.118,35 18.118,36 18.118,37 18.118,38 1.381,39 3.356,40 207.256,41 2.027,42 3.166,43 2,44 1.955,45 5,46 5,47 30,48 3.638,49 3.638,50 37,51 4.317,52 55.9,53 1.857,54 5.039,55 19.418,56 314.942,57 3.383,59 15806,60 23.5,61 121.713,62 160,63 17055,64 5.016,65 0.27,66 0.284,67 4,68 14.352,69 3.738,70 6.553}
{0 CHEMBL70740,6 8.274,13 0.667,17 3.577,18 73.653,19 2.117,20 4.781,22 1.863,23 1.637,24 6.392,25 4.59,26 5548,27 6.572,28 11,29 0.56,30 39.776,31 3.332,32 27,33 10.381,34 10.381,35 10.381,36 10.381,37 10.381,38 -0.081,39 3.234,40 127.588,41 0.587,42 2.289,43 1,44 1.681,46 3,47 17,48 3.091,49 3.091,50 21,51 3.761,52 31.016,53 -0.194,54 4.781,55 11.151,56 142.601,57 3.198,58 4.443,59 3094,60 12.5,61 75.855,62 51,63 3182,64 4.222,65 0.314,66 0.332,68 9.871,69 2.842,70 5.385}
{0 CHEMBL70751,6 7.185,13 1,17 3.625,19 3.015,20 4.548,22 1.535,23 0.959,24 5.832,25 4.284,26 1831,27 5.74,28 12,29 0.049,30 30.245,31 3.091,32 21,33 8.331,34 8.331,35 8.331,36 8.331,37 8.331,38 -0.505,39 3.045,40 105.168,41 -0.319,42 1.778,44 1.681,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.394,53 -0.5,54 4.548,55 9.199,56 100.649,57 3.034,58 4.443,59 2014,60 10.25,61 71.902,62 41,63 1974,64 3.974,65 0.332,66 0.347,68 7.449,69 2.809,70 6.77}
{0 CHEMBL70973,6 7.631,13 1,17 3.461,19 0.988,20 4.708,22 1.635,23 1.536,24 6.201,25 4.483,26 2416,27 5.951,28 12,29 0.111,30 36.166,31 3.258,32 25,33 9.281,34 9.281,35 9.281,36 9.281,37 9.281,38 -0.386,39 3.043,40 119.471,41 0.408,42 1.861,44 1.702,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 27.43,53 -0.306,54 4.708,55 10.099,56 122.115,57 3.04,58 4.443,59 2647,60 11.5,61 72.693,62 48,63 2576,64 4.143,65 0.319,66 0.336,68 9.077,69 2.871,70 5.45}
{0 CHEMBL71,1 1,2 1,4 4.625,6 9.433,8 2,13 0.333,16 1,17 4.297,18 135.884,19 5.91,20 4.734,22 2.417,23 1.897,24 6.361,25 4.635,26 8941,27 6.979,28 17,29 0.722,30 43.111,31 3.401,32 29,33 11.386,34 11.386,35 11.386,36 11.386,37 11.386,38 0.156,39 3.16,40 122.555,41 0.81,42 2.712,43 2,44 1.835,46 3,47 18,48 3.178,49 3.178,50 23,51 3.85,52 34.481,53 0.331,54 4.734,55 12.313,56 164.919,57 3.158,59 3874,60 13.25,61 93.756,62 57,63 3883,64 4.359,65 0.272,66 0.285,68 10.325,69 2.911,70 6.427}
{0 CHEMBL71001,6 7.724,9 1,11 5.114,13 1,14 1,17 3.511,19 1.39,20 4.684,22 1.68,23 1.603,24 6.263,25 4.538,26 2704,27 6.066,28 15,29 0.699,30 38.208,31 3.296,32 26,33 9.816,34 9.816,35 9.816,36 9.816,37 9.816,38 -0.32,39 3.053,40 127.588,41 0.539,42 1.862,44 1.694,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 29.328,53 -0.304,54 4.684,55 10.731,56 132.544,57 3.056,58 4.443,59 3022,60 12.5,61 74.408,62 51,63 2927,64 4.219,65 0.328,66 0.344,67 1,68 9.916,69 2.864,70 5.3}
{0 CHEMBL71479,6 7.635,13 1,17 3.35,19 1.979,20 4.629,22 1.637,23 1.16,24 6.229,25 4.505,26 2387,27 5.961,28 12,29 0.091,30 36.926,31 3.258,32 25,33 9.388,34 9.388,35 9.388,36 9.388,37 9.388,38 -0.583,39 3.07,40 120.996,41 -0.186,42 1.861,44 1.707,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.195,53 -0.307,54 4.629,55 10.115,56 122.995,57 3.067,58 4.443,59 2622,60 11.5,61 72.986,62 47,63 2544,64 4.144,65 0.319,66 0.336,68 9.747,69 2.78,70 5.625}
{0 CHEMBL715,1 2,2 2,4 4.8,6 9.992,8 2,13 0.5,17 4.187,18 65.256,19 5.884,20 4.69,22 2.61,23 2.247,24 6.506,25 4.743,26 15168,27 7.391,28 16,29 0.949,30 47.389,31 3.481,32 31.5,33 12.38,34 12.38,35 12.38,36 12.38,37 12.38,38 0.646,39 3.107,40 141.955,41 1.032,42 2.861,43 1,44 1.712,45 1,46 4,47 24,48 3.258,49 3.258,50 25,51 3.932,52 38.422,53 0.488,54 4.69,55 13.274,56 188.32,57 3.111,58 4.844,59 4351,60 15,61 93.091,62 60,63 4598,64 4.431,65 0.262,66 0.276,68 10.689,69 2.927,70 7.1}
{0 CHEMBL716,1 2,2 2,4 4.826,6 10.648,8 2,11 5.399,13 0.5,14 1,17 4.357,19 4.743,20 5.162,22 2.739,23 2.699,24 6.526,25 4.86,26 27756,27 7.808,28 24,29 1.447,30 53.443,31 3.638,32 37,33 14.845,34 14.845,35 14.845,36 14.845,37 14.845,38 0.985,39 3.34,40 166.058,41 1.708,42 2.85,44 1.925,45 2,46 4,47 25,48 3.434,49 3.434,50 30,51 4.111,52 43.78,53 1.141,54 5.124,55 15.928,56 234.283,57 3.355,58 2.708,59 8555,60 17.75,61 111.573,62 100,63 8950,64 4.713,65 0.263,66 0.274,68 11.921,69 3.399,70 6.376}
{0 CHEMBL72147,6 9.08,13 0.667,17 3.614,18 70.058,19 2.759,20 4.615,22 1.795,23 1.566,24 6.209,25 4.541,26 4791,27 6.488,28 6,29 0.146,30 39.665,31 3.314,32 26.5,33 9.872,34 9.872,35 9.872,36 9.872,37 9.872,38 -0.15,39 2.939,40 114.8,41 0.387,42 2.254,43 1,44 1.681,45 1,46 3,47 17,48 3.045,49 3.045,50 20,51 3.714,52 29.848,53 -0.291,54 4.615,55 10.646,56 131.379,57 2.891,58 4.443,59 2741,60 12.5,61 73.086,62 50,63 2827,64 4.141,65 0.314,66 0.337,68 8.592,69 2.93,70 6.135}
{0 CHEMBL723,3 217.373,5 2,6 11.896,9 3,11 16.924,13 0.5,14 3,17 4.64,19 2.179,20 5.544,22 2.917,23 2.913,24 6.629,25 4.999,26 31433,27 7.778,28 23,29 1.448,30 64.013,31 3.795,32 43.5,33 16.274,34 16.274,35 16.274,36 16.274,37 16.274,38 1.341,39 3.491,40 186.575,41 2.074,42 2.969,44 1.989,45 1,46 4,47 23,48 3.526,49 3.526,50 33,51 4.205,52 48.246,53 1.535,54 5.437,55 17.142,56 252.755,57 3.498,58 4.844,59 13460,60 19.25,61 115.638,62 153,63 14361,64 4.883,65 0.242,66 0.255,67 3,68 12.506,69 3.676,70 7.466}
{0 CHEMBL72441,6 7.185,13 1,17 3.625,19 3.759,20 4.574,22 1.535,23 0.959,24 5.832,25 4.284,26 1831,27 5.74,28 12,29 -0.234,30 30.245,31 3.091,32 21,33 8.331,34 8.331,35 8.331,36 8.331,37 8.331,38 -0.583,39 3.054,40 109.936,41 -0.319,42 1.778,44 1.681,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.394,53 -0.5,54 4.574,55 8.931,56 100.649,57 3.034,58 4.443,59 2014,60 10,61 72.138,62 41,63 1974,64 3.974,65 0.284,66 0.296,68 7.041,69 2.809,70 6.7}
{0 CHEMBL726,1 2,2 2,4 6.688,6 10.38,8 3,13 0.5,16 1,17 4.015,18 227.091,19 2.941,20 5.187,22 2.842,23 2.707,24 6.801,25 4.963,26 33650,27 7.96,28 23,29 1.428,30 58.255,31 3.689,32 39,33 16.292,34 16.292,35 16.292,36 16.292,37 16.292,38 1.222,39 3.403,40 180.444,41 1.798,42 2.975,43 2,44 1.877,45 1,46 4,47 24,48 3.526,49 3.526,50 33,51 4.205,52 49.756,53 1.003,54 5.044,55 17.709,56 270.52,57 3.397,59 11300,60 19.75,61 117.268,62 118,63 11747,64 4.873,65 0.283,66 0.293,68 12.199,69 3.482,70 6.812}
{0 CHEMBL72724,6 7.507,13 1,17 3.577,19 0.624,20 4.574,22 1.754,23 1.517,24 6.256,25 4.472,26 2704,27 6.066,28 12,29 0.697,30 35.554,31 3.219,32 24,33 9.806,34 9.806,35 9.806,36 9.806,37 9.806,38 -0.348,39 3.053,40 119.671,41 0.442,42 1.913,44 1.681,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 29.964,53 -0.304,54 4.574,55 10.891,56 131.689,57 3.034,58 4.443,59 3082,60 12.25,61 73.071,62 53,63 2991,64 4.22,65 0.35,66 0.364,68 7.041,69 2.922,70 6.22}
{0 CHEMBL72753,6 8.964,13 0.667,17 3.852,18 64.971,19 1.347,20 4.607,22 1.79,23 1.536,24 6.116,25 4.486,26 4154,27 6.363,28 6,29 -0.069,30 37.882,31 3.277,32 25.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.314,39 2.881,40 102.382,41 0.358,42 2.252,43 1,44 1.681,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.145,53 -0.302,54 4.533,55 10.124,56 120.914,57 2.876,58 4.443,59 2354,60 12.25,61 65.676,62 44,63 2448,64 4.062,65 0.327,66 0.354,68 7.624,69 2.848,70 6.71}
{0 CHEMBL72768,6 7.185,13 1,17 3.625,19 1.644,20 4.548,22 1.535,23 0.959,24 5.832,25 4.284,26 1831,27 5.74,28 12,29 0.036,30 30.245,31 3.091,32 21,33 8.331,34 8.331,35 8.331,36 8.331,37 8.331,38 -0.554,39 3.041,40 105.168,41 -0.319,42 1.778,44 1.681,46 2,47 11,48 2.89,49 2.89,50 17,51 3.555,52 24.394,53 -0.5,54 4.548,55 9.053,56 100.649,57 3.034,58 4.443,59 2014,60 10.25,61 67.313,62 41,63 1974,64 3.974,65 0.332,66 0.347,68 6.407,69 2.809,70 6.94}
{0 CHEMBL728,1 2,2 2,4 7.444,6 9.982,8 3,13 0.5,16 1,17 4.263,18 173.508,19 5.984,20 4.987,22 2.712,23 2.446,24 6.538,25 4.804,26 20448,27 7.558,28 22,29 1.146,30 50.468,31 3.555,32 34,33 13.852,34 13.852,35 13.852,36 13.852,37 13.852,38 0.965,39 3.377,40 144.821,41 1.438,42 2.882,43 2,44 1.835,45 1,46 4,47 24,48 3.367,49 3.367,50 28,51 4.043,52 41.833,53 0.65,54 4.987,55 14.968,56 212.094,57 3.367,59 6886,60 16.5,61 109.806,62 84,63 7310,64 4.614,65 0.257,66 0.269,68 12.057,69 3.24,70 7.504}
{0 CHEMBL72958,6 6.841,13 1,17 2.781,19 -0.473,20 4.487,22 1,23 0.733,24 6.08,25 4.337,26 1055,27 5.442,28 9,29 -0.571,30 30.788,31 3.091,32 21,33 7.81,34 7.81,35 7.81,36 7.81,37 7.81,38 -0.829,39 2.743,40 109.107,41 -1.122,42 1.213,44 1.672,46 1,47 6,48 2.833,49 2.833,50 16,51 3.497,52 23.419,53 -0.666,54 4.487,55 8.222,56 98.978,57 2.755,59 1748,60 9.5,61 59.546,62 41,63 1534,64 3.972,65 0.39,66 0.408,68 8.325,69 2.725,70 5.7}
{0 CHEMBL72995,6 9.11,13 0.667,17 4.059,18 70.997,19 1.834,20 4.682,22 1.865,23 1.537,24 6.209,25 4.541,26 4931,27 6.495,28 5,29 -0.042,30 39.73,31 3.314,32 26.5,33 9.872,34 9.872,35 9.872,36 9.872,37 9.872,38 -0.267,39 2.949,40 113.697,41 0.38,42 2.332,43 1,44 1.701,45 1,46 3,47 17,48 3.045,49 3.045,50 20,51 3.714,52 30.179,53 -0.222,54 4.615,55 10.643,56 131.016,57 2.93,58 4.595,59 2755,60 12.5,61 72.913,62 49,63 2843,64 4.144,65 0.314,66 0.337,68 8.592,69 2.963,70 6.135}
{0 CHEMBL73164,6 8.964,9 1,11 5.306,13 0.667,14 1,17 3.852,18 64.971,19 1.736,20 4.547,22 1.79,23 1.536,24 6.116,25 4.486,26 4154,27 6.363,28 6,29 -0.056,30 37.882,31 3.277,32 25.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.292,39 2.938,40 98.211,41 0.358,42 2.252,43 1,44 1.634,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.145,53 -0.302,54 4.47,55 10.29,56 120.914,57 2.89,58 4.443,59 2354,60 12,61 66.545,62 44,63 2448,64 4.062,65 0.359,66 0.39,68 7.958,69 2.848,70 4.31}
{0 CHEMBL73392,6 8.964,13 0.667,17 3.852,18 64.971,19 1.907,20 4.547,22 1.79,23 1.536,24 6.116,25 4.486,26 4154,27 6.363,28 6,29 0.225,30 37.882,31 3.277,32 25.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.29,39 2.938,40 98.211,41 0.358,42 2.252,43 1,44 1.581,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.145,53 -0.302,54 4.47,55 10.427,56 120.914,57 2.89,58 4.443,59 2354,60 11.5,61 72.988,62 44,63 2448,64 4.062,65 0.359,66 0.39,68 8.568,69 2.848,70 4.55}
{0 CHEMBL74071,6 7.717,13 1,17 3.722,19 0.983,20 4.577,22 1.86,23 1.631,24 6.319,25 4.538,26 2722,27 6.047,28 11,29 0.291,30 38.358,31 3.296,32 26,33 9.829,34 9.829,35 9.829,36 9.829,37 9.829,38 -0.384,39 3.079,40 127.316,41 0.576,42 2.316,44 1.713,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 29.861,53 -0.206,54 4.577,55 10.671,56 133.372,57 3.044,58 4.443,59 3008,60 12,61 77.111,62 52,63 2919,64 4.221,65 0.306,66 0.32,68 9.74,69 2.898,70 5.15}
{0 CHEMBL74114,6 7.649,13 1,17 3.35,19 -0.631,20 4.601,22 1.687,23 1.061,24 6.256,25 4.505,26 2387,27 5.961,28 12,29 0.338,30 36.983,31 3.258,32 25,33 9.372,34 9.372,35 9.372,36 9.372,37 9.372,38 -0.48,39 3.042,40 115.961,41 -0.185,42 1.905,44 1.681,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.244,53 -0.306,54 4.601,55 10.205,56 124.022,57 3.04,58 4.443,59 2577,60 11.75,61 68.161,62 46,63 2496,64 4.144,65 0.366,66 0.387,68 9.113,69 2.773,70 6.255}
{0 CHEMBL74283,6 7.847,13 0.667,17 3.852,18 64.971,19 4.307,20 4.696,22 1.784,23 1.488,24 6.116,25 4.413,26 4154,27 6.363,28 10,29 0.007,30 34.293,31 3.178,32 23,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.293,39 2.928,40 103.315,41 0.344,42 1.995,43 1,44 1.681,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.233,53 -0.404,54 4.567,55 10.165,56 120.914,57 2.88,58 4.443,59 2354,60 12,61 75.521,62 44,63 2448,64 4.062,65 0.313,66 0.33,68 7.958,69 2.848,70 6.825}
{0 CHEMBL74342,3 73.337,5 1,6 9.91,13 0.5,17 4.011,18 80.985,19 1.889,20 4.993,22 2.38,23 2.332,24 6.431,25 4.698,26 13564,27 7.247,28 4,29 0.662,30 45.912,31 3.45,32 30.5,33 11.877,34 11.877,35 11.877,36 11.877,37 11.877,38 0.328,39 3.181,40 133.53,41 1.257,42 2.555,43 1,44 1.712,45 1,46 4,47 23,48 3.219,49 3.219,50 24,51 3.892,52 36.34,53 0.221,54 4.939,55 12.64,56 169.142,57 3.187,58 4.727,59 4387,60 14.5,61 84.577,62 66,63 4757,64 4.368,65 0.286,66 0.304,68 9.949,69 3.134,70 4.94}
{0 CHEMBL74449,6 9.327,13 0.667,17 3.5,18 60.521,19 1.645,20 4.564,22 2.118,23 1.28,24 5.943,25 4.466,26 3668,27 6.248,28 3,29 -0.615,30 37.851,31 3.296,32 26,33 8.938,34 8.938,35 8.938,36 8.938,37 8.938,38 -0.593,39 2.826,40 78.18,41 -0.081,42 2.181,43 1,44 1.604,45 1,46 3,47 17,48 2.944,49 2.944,50 18,51 3.611,52 26.535,53 -0.19,54 4.484,55 9.471,56 108.596,57 2.831,58 4.443,59 2109,60 11.5,61 58.365,62 42,63 2221,64 3.975,65 0.296,66 0.326,68 6.87,69 2.877,70 5.056}
{0 CHEMBL74467,6 7.635,13 1,17 3.35,19 -0.136,20 4.601,22 1.637,23 1.16,24 6.229,25 4.505,26 2387,27 5.961,28 12,29 0.219,30 36.926,31 3.258,32 25,33 9.388,34 9.388,35 9.388,36 9.388,37 9.388,38 -0.554,39 3.042,40 115.961,41 -0.186,42 1.861,44 1.681,46 2,47 11,48 2.996,49 2.996,50 19,51 3.664,52 28.195,53 -0.307,54 4.601,55 10.237,56 122.995,57 3.041,58 4.443,59 2622,60 11.75,61 68.161,62 47,63 2544,64 4.144,65 0.366,66 0.387,68 9.113,69 2.78,70 5.5}
{0 CHEMBL74544,3 52.122,5 1,6 8.91,13 0.667,17 3.374,19 1.689,20 4.585,22 1.947,23 1.13,24 5.922,25 4.416,26 2971,27 6.098,28 3,29 -0.777,30 36.076,31 3.239,32 24.5,33 8.438,34 8.438,35 8.438,36 8.438,37 8.438,38 -0.805,39 2.793,40 81.02,41 -0.238,42 2.118,44 1.652,46 3,47 16,48 2.89,49 2.89,50 17,51 3.555,52 25.384,53 -0.375,54 4.585,55 8.968,56 99.734,57 2.79,58 5.209,59 1779,60 11,61 55.883,62 37,63 1877,64 3.884,65 0.302,66 0.333,68 6.516,69 2.77,70 6.398}
{0 CHEMBL75030,6 7.69,9 1,11 5.41,13 0.667,14 1,17 3.5,18 57.684,19 2.872,20 4.688,22 1.753,23 1.093,24 5.984,25 4.35,26 3648,27 6.248,28 9,29 -0.41,30 31.992,31 3.135,32 22,33 8.932,34 8.932,35 8.932,36 8.932,37 8.932,38 -0.618,39 3.028,40 101.946,41 -0.061,42 2.09,43 1,44 1.657,46 3,47 17,48 2.944,49 2.944,50 18,51 3.611,52 26.534,53 -0.5,54 4.625,55 9.383,56 110.544,57 3.018,58 4.443,59 1994,60 10.5,61 62.765,62 38,63 2081,64 3.977,65 0.273,66 0.287,68 6.786,69 2.743,70 7.92}
{0 CHEMBL75201,1 1,2 1,4 2.135,6 5.371,8 1,9 1,11 10.52,13 1,14 2,17 2.732,20 3.48,23 -0.295,24 5.398,25 3.829,26 729,27 5.081,28 12,29 -1.15,30 18.665,31 2.639,32 13,33 5.954,34 5.954,35 5.954,36 5.954,37 5.954,38 -1.373,39 2.592,40 54.267,41 -1.414,42 0.353,44 1.426,45 1,46 2,47 11,48 2.565,49 2.565,50 12,51 3.219,52 17.524,54 3.48,55 6.699,56 59.736,57 2.618,58 4.443,59 714,60 8.25,61 40.34,62 20,63 695,64 3.439,65 0.35,66 0.359,68 4.443,69 2.428,70 4.78}
{0 CHEMBL75257,6 8.124,9 1,11 5.647,13 1,14 1,17 3.122,19 6.238,20 4.32,22 1.914,23 1.633,24 6.479,25 4.582,26 2870,27 6.188,28 4,29 0.303,30 40.304,31 3.314,32 26.5,33 10.268,34 10.268,35 10.268,36 10.268,37 10.268,38 -0.2,39 3.143,40 140.006,41 0.505,42 2.118,44 1.699,46 2,47 11,48 3.091,49 3.091,50 21,51 3.761,52 32.434,53 -0.118,54 4.32,55 10.759,56 149.64,57 3.133,58 4.443,59 3208,60 12.5,61 82.184,62 56,63 3058,64 4.293,65 0.25,66 0.259,67 1,68 9.167,69 2.829,70 5.301}
{0 CHEMBL75491,6 9.462,13 0.667,17 3.852,18 64.971,19 2.76,20 4.638,22 2.118,23 1.583,24 6.116,25 4.522,26 4154,27 6.363,28 2,29 -0.246,30 40.023,31 3.332,32 27,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.362,39 3.039,40 98.832,41 0.37,42 2.332,43 1,44 1.617,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.315,53 -0.139,54 4.566,55 9.915,56 120.914,57 3.023,58 4.443,59 2354,60 12,61 63.406,62 44,63 2448,64 4.062,65 0.285,66 0.311,68 7.291,69 2.848,70 6.469}
{0 CHEMBL7568,1 1,2 1,4 2.469,6 11.044,8 1,9 1,11 5.447,13 0.333,14 1,17 4.495,18 211.112,19 2.636,20 5.116,22 2.775,23 2.324,24 6.6,25 4.89,26 17729,27 7.501,28 16,29 1.09,30 55.842,31 3.664,32 38,33 14.618,34 14.618,35 14.618,36 14.618,37 14.618,38 0.81,39 3.441,40 189.192,41 1.283,42 3.21,43 2,44 1.85,46 3,47 18,48 3.434,49 3.434,50 30,51 4.111,52 43.41,53 1.106,54 5.116,55 15.488,56 239.054,57 3.436,59 8862,60 17.5,61 118.962,62 101,63 8834,64 4.772,65 0.237,66 0.247,67 1,68 12.116,69 3.333,70 5.414}
{0 CHEMBL762,6 7.546,13 1,17 3.577,19 4.871,20 4.292,22 1.607,23 1.477,24 6.444,25 4.516,26 2561,27 6.091,28 5,29 -0.228,30 37.044,31 3.219,32 24,33 9.82,34 9.82,35 9.82,36 9.82,37 9.82,38 -0.651,39 3.126,40 126.336,41 0.346,42 1.809,44 1.681,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 31.031,53 -0.256,54 4.292,55 10.096,56 138.671,57 3.107,58 4.443,59 2848,60 11.25,61 79.512,62 52,63 2719,64 4.219,65 0.239,66 0.246,68 8.954,69 2.816,70 5.58}
{0 CHEMBL76457,6 7.358,13 1,17 3.181,19 2.76,20 4.392,22 0.774,23 0.47,24 5.602,25 4.171,26 1097,27 5.366,28 4,29 -1.156,30 27.896,31 3.02,32 19.5,33 6.927,34 6.927,35 6.927,36 6.927,37 6.927,38 -1.1,39 2.803,40 66.729,41 -1.294,42 1.385,44 1.544,46 2,47 11,48 2.708,49 2.708,50 14,51 3.367,52 20.266,54 4.392,55 7.546,56 75.49,57 2.776,58 4.443,59 1133,60 8.5,61 54.595,62 28,63 1109,64 3.679,65 0.348,66 0.379,68 6.15,69 2.609,70 5.62}
{0 CHEMBL778,6 7.548,13 1,17 3.457,19 5.175,20 4.494,22 1.275,23 0.808,24 5.989,25 4.314,26 1421,27 5.613,28 3,29 -0.993,30 31.588,31 3.114,32 21.5,33 7.836,34 7.836,35 7.836,36 7.836,37 7.836,38 -1.164,39 3.041,40 97.241,41 -0.69,42 1.944,44 1.671,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.952,53 -0.5,54 4.494,55 8.035,56 96.805,57 3.018,58 4.443,59 1534,60 9,61 62.983,62 33,63 1471,64 3.884,65 0.244,66 0.257,68 6.335,69 2.624,70 7.51}
{0 CHEMBL77913,6 7.613,9 1,11 5.134,13 1,14 1,17 3.374,19 3.734,20 4.468,22 1.287,23 0.776,24 5.808,25 4.287,26 1549,27 5.645,28 6,29 -0.472,30 30.977,31 3.114,32 21.5,33 7.838,34 7.838,35 7.838,36 7.838,37 7.838,38 -0.742,39 2.93,40 100.732,41 -0.684,42 1.773,44 1.573,46 2,47 11,48 2.833,49 2.833,50 16,51 3.497,52 23.163,53 -0.514,54 4.468,55 8.354,56 92.908,57 2.921,58 4.443,59 1677,60 10,61 58.477,62 37,63 1631,64 3.878,65 0.305,66 0.325,67 1,68 6.211,69 2.826,70 6.291}
{0 CHEMBL78190,6 8.029,9 1,11 5.492,13 1,14 1,17 3.321,19 5.014,20 4.252,22 1.872,23 1.302,24 6.358,25 4.53,26 2593,27 6.089,28 5,29 -0.213,30 38.209,31 3.277,32 25.5,33 9.811,34 9.811,35 9.811,36 9.811,37 9.811,38 -0.413,39 3.013,40 135.519,41 0.138,42 2.118,44 1.703,46 2,47 11,48 3.045,49 3.045,50 20,51 3.714,52 30.501,53 -0.118,54 4.252,55 10.312,56 136.498,57 3.025,58 4.443,59 2878,60 12,61 77.143,62 52,63 2755,64 4.22,65 0.259,66 0.269,67 1,68 8.736,69 2.828,70 6.538}
{0 CHEMBL787,6 13.264,7 4.105,10 2,13 0.8,15 2,17 5.095,18 216.278,19 5.949,20 5.806,22 3.44,23 3.427,24 7.13,25 5.351,26 55040,27 8.306,28 18,29 2.194,30 86.563,31 4.086,32 58.5,33 22.221,34 22.221,35 22.221,36 22.221,37 22.221,38 1.577,39 3.853,40 277.613,41 2.571,42 3.583,43 1,44 1.988,46 5,47 27,48 3.829,49 3.829,50 45,51 4.511,52 68.537,53 2.425,54 5.78,55 22.959,56 407.414,57 3.844,58 5.861,59 27492,60 24,61 169.725,62 208,63 29152,64 5.329,65 0.222,66 0.232,68 19.918,69 3.718,70 5.277}
{0 CHEMBL809,6 9.018,13 0.667,17 3.984,18 75.513,19 5.306,20 4.973,22 2.326,23 1.608,24 6.378,25 4.605,26 6542,27 6.758,28 11,29 0.612,30 41.666,31 3.367,32 28,33 10.765,34 10.765,35 10.765,36 10.765,37 10.765,38 0.072,39 3.158,40 114.163,41 0.553,42 2.607,43 1,44 1.724,46 3,47 18,48 3.135,49 3.135,50 22,51 3.807,52 32.915,53 -0.011,54 4.919,55 11.365,56 156.151,57 3.152,59 3367,60 12,61 85.741,62 54,63 3390,64 4.294,65 0.255,66 0.269,68 9.291,69 2.96,70 5.349}
{0 CHEMBL81,1 1,2 1,3 150.813,4 2.436,5 1,6 12.491,8 1,9 1,11 5.919,13 0.8,14 1,17 4.558,19 3.933,20 5.242,21 1,22 3.154,23 2.893,24 6.853,25 5.168,26 51851,27 8.277,28 19,29 1.624,30 74.398,31 3.932,32 50,33 18.776,34 18.776,35 18.776,36 18.776,37 18.776,38 1.339,39 3.69,40 209.345,41 2.05,42 3.444,44 1.959,45 1,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 57.33,53 2.012,54 5.209,55 19.575,56 323.384,57 3.685,58 4.844,59 17001,60 21,61 136.943,62 158,63 18303,64 5.05,65 0.237,66 0.251,67 1,68 15.53,69 3.684,70 6.552}
{0 CHEMBL81485,4 2.142,6 10.042,8 1,11 6.24,13 0.25,14 1,17 3.63,18 49.01,19 5.397,20 5.095,22 2.47,23 1.997,24 6.488,25 4.682,26 17945,27 7.53,28 15,29 1.053,30 44.763,31 3.434,32 30,33 11.879,34 11.879,35 11.879,36 11.879,37 11.879,38 0.767,39 3.148,40 128.851,41 0.983,42 2.752,43 1,44 1.849,46 4,47 24,48 3.219,49 3.219,50 24,51 3.892,52 36.313,53 0.507,54 4.979,55 12.198,56 179.441,57 3.151,58 4.844,59 3728,60 13.5,61 85.359,62 57,63 3911,64 4.361,65 0.243,66 0.256,68 9.106,69 2.816,70 6}
{0 CHEMBL833,1 1,2 1,3 60.648,4 2.469,5 1,6 8.374,8 1,13 0.667,17 3.97,19 5.158,20 4.696,22 1.711,23 1.365,24 6.08,25 4.451,26 4306,27 6.37,28 11,29 0.019,30 36.208,31 3.239,32 24.5,33 9.399,34 9.399,35 9.399,36 9.399,37 9.399,38 -0.319,39 2.993,40 98.461,41 0.161,42 2.517,44 1.501,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.387,53 -0.137,54 4.696,55 10.119,56 119.152,57 2.971,58 4.595,59 2438,60 10.5,61 75.956,62 46,63 2546,64 4.066,65 0.288,66 0.306,68 8.342,69 2.901,70 5.93}
{0 CHEMBL836,6 9.067,9 3,11 16.4,13 1,14 3,16 2,17 4.182,19 2.537,20 5.231,22 2.665,23 2.407,24 6.544,25 4.86,26 8404,27 6.809,28 17,29 1.251,30 53.535,31 3.638,32 37,33 14.236,34 14.236,35 14.236,36 14.236,37 14.236,38 0.929,39 3.423,40 190.586,41 1.4,42 2.93,44 1.866,45 1,46 2,47 12,48 3.401,49 3.401,50 29,51 4.078,52 41.876,53 0.961,54 5.195,55 15.244,56 216.021,57 3.4,59 10159,60 17,61 110.047,62 132,63 10037,64 4.784,65 0.269,66 0.278,67 3,68 13.407,69 3.59,70 8.102}
{0 CHEMBL83658,1 1,2 1,4 4.365,6 10.127,8 2,11 6.331,13 0.25,14 1,16 1,17 3.391,18 53.183,19 5.421,20 4.925,22 2.752,23 2.371,24 6.538,25 4.727,26 19987,27 7.617,28 18,29 1.059,30 46.623,31 3.466,32 31,33 12.414,34 12.414,35 12.414,36 12.414,37 12.414,38 0.769,39 3.248,40 132.157,41 1.34,42 2.824,43 1,44 1.889,45 1,46 4,47 24,48 3.258,49 3.258,50 25,51 3.932,52 38.381,53 0.559,54 4.817,55 12.802,56 190.625,57 3.253,58 4.844,59 4247,60 14.25,61 90.653,62 62,63 4434,64 4.428,65 0.236,66 0.247,68 9.947,69 2.857,70 5.73}
{0 CHEMBL844,6 8.964,13 0.667,17 3.852,18 64.971,19 1.839,20 4.607,22 1.79,23 1.536,24 6.116,25 4.486,26 4154,27 6.363,28 6,29 -0.077,30 37.882,31 3.277,32 25.5,33 9.389,34 9.389,35 9.389,36 9.389,37 9.389,38 -0.293,39 2.938,40 102.382,41 0.358,42 2.252,43 1,44 1.681,45 1,46 3,47 17,48 2.996,49 2.996,50 19,51 3.664,52 28.145,53 -0.302,54 4.533,55 10.165,56 120.914,57 2.89,58 4.443,59 2354,60 12,61 68.494,62 44,63 2448,64 4.062,65 0.327,66 0.354,68 7.958,69 2.848,70 7.219}
{0 CHEMBL84931,1 1,2 1,4 4.077,6 10.224,8 2,11 6.22,13 0.25,14 1,16 1,17 4.176,18 56.599,19 4.375,20 4.925,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 1.06,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.769,39 3.248,40 140.854,41 1.341,42 2.831,43 1,44 1.889,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.88,55 13.406,56 203.176,57 3.254,58 4.844,59 4741,60 15,61 90.87,62 66,63 4917,64 4.492,65 0.259,66 0.272,68 9.947,69 2.884,70 5.93}
{0 CHEMBL85,1 1,2 1,3 125.248,4 4.304,5 1,6 11.095,8 2,9 1,13 0.6,16 1,17 4.707,18 141.831,19 0.639,20 5.188,22 2.966,23 2.574,24 6.832,25 5.04,26 53500,27 8.281,28 11,29 1.521,30 63.002,31 3.761,32 42,33 16.765,34 16.765,35 16.765,36 16.765,37 16.765,38 1.194,39 3.51,40 194.926,41 1.589,42 3.275,43 1,44 1.96,46 5,47 29,48 3.555,49 3.555,50 34,51 4.234,52 52.141,53 1.412,54 5.188,55 17.346,56 274.95,57 3.496,58 4.727,59 12649,60 20.25,61 114.547,62 140,63 13857,64 4.882,65 0.259,66 0.271,68 12.752,69 3.629,70 8.495}
{0 CHEMBL85735,1 1,2 1,4 4.391,6 10.224,8 2,11 6.386,13 0.25,14 1,16 1,17 4.176,18 56.599,19 6.735,20 4.953,22 2.799,23 2.372,24 6.6,25 4.771,26 22296,27 7.715,28 17,29 1.06,30 48.624,31 3.497,32 32,33 12.897,34 12.897,35 12.897,36 12.897,37 12.897,38 0.769,39 3.253,40 142.276,41 1.341,42 2.831,43 1,44 1.889,45 1,46 4,47 24,48 3.296,49 3.296,50 26,51 3.97,52 40.139,53 0.559,54 4.911,55 13.284,56 203.176,57 3.258,58 4.844,59 4741,60 14.75,61 95.695,62 66,63 4917,64 4.492,65 0.229,66 0.24,68 10.581,69 2.884,70 6}
{0 CHEMBL862,6 6.667,13 1,17 3.19,19 1.363,20 4.085,22 1,23 0.579,24 5.79,25 4.241,26 897,27 5.278,28 3,29 -0.375,30 28.558,31 3.045,32 20,33 7.378,34 7.378,35 7.378,36 7.378,37 7.378,38 -0.9,39 2.849,40 89.774,41 -1.074,42 1,44 1.479,46 1,47 6,48 2.773,49 2.773,50 15,51 3.434,52 22.103,53 -0.858,54 4.085,55 7.996,56 87.516,57 2.815,59 1528,60 9.25,61 59.219,62 36,63 1357,64 3.88,65 0.396,66 0.42,68 7.261,69 2.721,70 5.191}
{0 CHEMBL88388,1 1,2 1,3 192.87,4 2.512,5 1,6 11.617,8 1,9 2,11 11.11,13 0.833,14 2,17 4.732,19 4.896,20 5.465,22 3.35,23 3.274,24 7.258,25 5.414,26 97496,27 8.756,28 21,29 1.997,30 91.948,31 4.143,32 62,33 24.157,34 24.157,35 24.157,36 24.157,37 24.157,38 1.676,39 3.714,40 292.111,41 2.393,42 3.517,44 1.922,46 6,47 35,48 3.912,49 3.912,50 49,51 4.595,52 74.538,53 2.5,54 5.395,55 24.643,56 471.76,57 3.729,58 4.595,59 34092,60 27.75,61 175.577,62 260,63 37058,64 5.438,65 0.21,66 0.22,67 2,68 19.299,69 3.818,70 6.39}
{0 CHEMBL88448,1 1,2 1,4 4.19,6 11.418,8 2,11 5.194,13 1,14 1,16 4,17 4.402,19 3.286,20 5.402,22 3.51,23 3.283,24 7.273,25 5.453,26 69906,27 8.521,28 28,29 2.165,30 95.347,31 4.19,32 65,33 24.498,34 24.498,35 24.498,36 24.498,37 24.498,38 1.805,39 3.719,40 309.932,41 2.411,42 3.613,44 1.989,46 5,47 30,48 3.932,49 3.932,50 50,51 4.615,52 76.001,53 2.5,54 5.402,55 25.016,56 493.35,57 3.736,59 36710,60 28.75,61 182.563,62 271,63 38652,64 5.499,65 0.218,66 0.228,68 19.84,69 3.867,70 6.61}
{0 CHEMBL88628,1 1,2 1,3 197.236,4 2.508,5 1,6 11.63,8 1,9 2,11 11.129,13 0.833,14 2,17 4.87,19 4.832,20 5.428,22 3.38,23 3.276,24 7.27,25 5.427,26 100315,27 8.787,28 24,29 1.997,30 92.876,31 4.159,32 63,33 24.578,34 24.578,35 24.578,36 24.578,37 24.578,38 1.706,39 3.71,40 303.849,41 2.399,42 3.517,44 1.922,46 6,47 35,48 3.932,49 3.932,50 50,51 4.615,52 75.466,53 2.5,54 5.405,55 25.147,56 486.745,57 3.726,58 4.595,59 35870,60 28.75,61 178.745,62 266,63 38873,64 5.47,65 0.215,66 0.224,67 2,68 19.44,69 3.83,70 5.99}
{0 CHEMBL89243,1 1,2 1,4 2.492,6 11.335,8 1,11 5.199,13 1,14 1,16 2,17 4.579,19 4.036,20 5.365,22 3.465,23 3.277,24 7.2,25 5.418,26 63390,27 8.433,28 25,29 2.332,30 90.379,31 4.159,32 63,33 23.501,34 23.501,35 23.501,36 23.501,37 23.501,38 1.696,39 3.718,40 298.8,41 2.402,42 3.519,44 1.928,46 5,47 30,48 3.892,49 3.892,50 48,51 4.575,52 73.277,53 2.5,54 5.365,55 23.888,56 459.631,57 3.726,59 33427,60 27,61 176.079,62 261,63 35358,64 5.436,65 0.211,66 0.221,68 18.605,69 3.85,70 6.06}
{0 CHEMBL89685,1 1,2 1,4 2.475,6 11.346,8 1,13 1,17 4.596,19 3.348,20 5.342,22 3.351,23 3.274,24 7.22,25 5.418,26 66252,27 8.46,28 22,29 2.154,30 92.35,31 4.159,32 63,33 23.62,34 23.62,35 23.62,36 23.62,37 23.62,38 1.68,39 3.723,40 288.045,41 2.393,42 3.517,44 1.993,46 5,47 30,48 3.892,49 3.892,50 48,51 4.575,52 72.867,53 2.5,54 5.27,55 23.953,56 459.27,57 3.738,59 33673,60 27,61 177.135,62 263,63 35614,64 5.436,65 0.217,66 0.227,68 19.193,69 3.848,70 6.43}
{0 CHEMBL90247,1 2,2 2,3 109.465,4 4.991,5 1,6 11.397,7 4.463,8 2,9 3,10 2,11 17.192,12 1,13 0.6,14 3,15 2,16 4,17 4.632,18 125.191,19 3.903,20 5.261,21 1,22 2.991,23 2.659,24 6.723,25 5.03,26 62740,27 8.399,28 28,29 1.64,30 62.859,31 3.784,32 43,33 17.263,34 17.263,35 17.263,36 17.263,37 17.263,38 1.131,39 3.52,40 196.874,41 1.645,42 3.085,43 1,44 1.974,45 2,46 5,47 29,48 3.584,49 3.584,50 35,51 4.263,52 52.391,53 1.593,54 5.261,55 18.152,56 276.529,57 3.528,58 4.727,59 14835,60 20.75,61 122.59,62 158,63 16184,64 4.919,65 0.238,66 0.248,67 2,68 13.311,69 3.834,70 8.721}
{0 CHEMBL90419,1 2,2 2,3 118.047,4 5.081,5 1,6 10.984,8 2,9 4,11 22.862,12 1,13 0.6,14 4,16 4,17 4.56,18 133.656,19 4.478,20 5.234,21 1,22 2.93,23 2.796,24 6.812,25 5.063,26 75450,27 8.564,28 28,29 1.703,30 64.875,31 3.807,32 44,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.312,39 3.523,40 208.396,41 1.796,42 3.11,43 1,44 1.983,45 3,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 54.847,53 1.628,54 5.082,55 19.237,56 303.433,57 3.535,58 4.727,59 17120,60 22.25,61 128.09,62 172,63 18494,64 5.009,65 0.236,66 0.244,67 3,68 14.032,69 3.855,70 8.721}
{0 CHEMBL90843,1 2,2 2,3 105.328,4 4.998,5 1,6 10.944,8 2,9 4,11 22.809,12 1,13 0.6,14 4,16 4,17 4.414,18 119.368,19 4.407,20 5.082,21 1,22 2.845,23 2.77,24 6.797,25 5.024,26 64014,27 8.469,28 28,29 1.699,30 62.31,31 3.761,32 42,33 17.195,34 17.195,35 17.195,36 17.195,37 17.195,38 1.298,39 3.497,40 191.884,41 1.776,42 3.098,43 1,44 1.94,45 3,46 5,47 29,48 3.584,49 3.584,50 35,51 4.263,52 52.311,53 1.479,54 5.048,55 18.245,56 286.11,57 3.51,58 4.727,59 13720,60 21.25,61 118.735,62 145,63 14848,64 4.921,65 0.246,66 0.256,67 3,68 13.337,69 3.719,70 7.051}
{0 CHEMBL90943,1 2,2 2,3 100.426,4 5.008,5 1,6 11.198,7 4.473,8 2,9 2,10 2,11 11.801,12 1,13 0.6,14 2,15 2,16 3,17 4.513,18 116.488,19 3.266,20 5.2,21 1,22 2.913,23 2.579,24 6.645,25 4.977,26 50186,27 8.206,28 26,29 1.366,30 59.84,31 3.738,32 41,33 16.352,34 16.352,35 16.352,36 16.352,37 16.352,38 1.081,39 3.517,40 179.019,41 1.525,42 2.992,43 1,44 1.974,45 2,46 5,47 29,48 3.526,49 3.526,50 33,51 4.205,52 49.627,53 1.379,54 5.151,55 17.055,56 252.902,57 3.521,58 4.727,59 12443,60 19.25,61 116.127,62 140,63 13746,64 4.826,65 0.235,66 0.246,67 1,68 12.508,69 3.72,70 8.77}
{0 CHEMBL90966,1 2,2 2,3 121.422,4 4.999,5 1,6 12.925,8 2,9 4,11 22.904,12 1,13 0.5,14 4,16 4,17 4.844,18 305.369,19 4.345,20 5.384,21 1,22 3.118,23 3.056,24 6.967,25 5.189,26 158566,27 9.169,28 28,29 2.119,30 74.207,31 3.922,32 49.5,33 19.666,34 19.666,35 19.666,36 19.666,37 19.666,38 1.365,39 3.518,40 224.576,41 2.149,42 3.233,43 2,44 2,45 3,46 6,47 35,48 3.714,49 3.714,50 40,51 4.394,52 60.155,53 2,54 5.353,55 20.816,56 342.59,57 3.531,58 4.727,59 19994,60 24.25,61 132.656,62 188,63 22131,64 5.1,65 0.243,66 0.255,67 3,68 15.316,69 3.876,70 7.444}
{0 CHEMBL90997,3 56.534,5 1,6 7.711,7 1.798,13 0.667,15 1,17 3.281,19 2.413,20 4.696,22 1.618,23 0.976,24 6.038,25 4.376,26 3600,27 6.261,28 6,29 -0.104,30 32.504,31 3.135,32 22,33 8.938,34 8.938,35 8.938,36 8.938,37 8.938,38 -0.423,39 2.847,40 103.606,41 -0.212,42 1.693,44 1.594,46 3,47 16,48 2.944,49 2.944,50 18,51 3.611,52 27.112,53 -0.5,54 4.567,55 9.262,56 109.828,57 2.831,58 5.283,59 2089,60 10.25,61 61.397,62 42,63 2172,64 3.973,65 0.278,66 0.292,68 6.528,69 2.872,70 7.721}
{0 CHEMBL91022,1 1,2 1,4 2.446,6 10.849,8 1,11 5.125,13 1,14 1,16 2,17 4.875,19 1.981,20 5.452,22 3.132,23 3.098,24 6.969,25 5.257,26 42262,27 8.081,28 20,29 1.873,30 78.52,31 4.007,32 54,33 20.611,34 20.611,35 20.611,36 20.611,37 20.611,38 1.504,39 3.622,40 273.251,41 2.19,42 3.471,44 1.982,46 4,47 24,48 3.761,49 3.761,50 42,51 4.443,52 62.866,53 2.343,54 5.452,55 21.06,56 376.728,57 3.619,59 24229,60 24.5,61 153.096,62 203,63 25238,64 5.252,65 0.235,66 0.245,68 16.667,69 3.815,70 7.09}
{0 CHEMBL91157,1 2,2 2,3 123.422,4 5.016,5 1,6 11.575,7 2.281,8 2,9 4,10 1,11 22.882,12 1,13 0.6,14 4,15 1,16 4,17 4.536,18 139.795,19 4.29,20 5.256,21 1,22 3.05,23 2.816,24 6.862,25 5.112,26 78835,27 8.608,28 29,29 2.121,30 67.877,31 3.85,32 46,33 18.678,34 18.678,35 18.678,36 18.678,37 18.678,38 1.328,39 3.538,40 219.561,41 1.899,42 3.226,43 1,44 1.976,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.77,53 1.629,54 5.226,55 19.729,56 317.95,57 3.547,58 4.727,59 18225,60 22.75,61 133.335,62 180,63 19609,64 5.055,65 0.234,66 0.243,67 3,68 14.678,69 3.866,70 8.854}
{0 CHEMBL91297,1 2,2 2,3 119.424,4 5.044,5 1,6 12.963,8 2,9 4,11 22.937,12 1,13 0.5,14 4,16 4,17 4.786,18 296.115,19 4.426,20 5.415,21 1,22 3.118,23 3.055,24 6.982,25 5.189,26 158118,27 9.169,28 30,29 2.073,30 74.233,31 3.922,32 49.5,33 19.661,34 19.661,35 19.661,36 19.661,37 19.661,38 1.335,39 3.513,40 216.644,41 2.117,42 3.231,43 2,44 1.997,45 3,46 6,47 35,48 3.714,49 3.714,50 40,51 4.394,52 60.172,53 2,54 5.325,55 20.709,56 345.71,57 3.526,58 4.727,59 19513,60 23.75,61 135.185,62 184,63 21551,64 5.102,65 0.235,66 0.246,67 3,68 15.232,69 3.807,70 7.051}
{0 CHEMBL91415,1 1,2 1,3 197.236,4 2.502,5 1,6 11.673,8 1,9 2,11 16.358,13 0.833,14 3,16 2,17 4.87,19 4.788,20 5.493,22 3.451,23 3.277,24 7.27,25 5.427,26 100315,27 8.787,28 24,29 1.997,30 93.179,31 4.159,32 63,33 24.578,34 24.578,35 24.578,36 24.578,37 24.578,38 1.696,39 3.707,40 305.971,41 2.402,42 3.518,44 1.922,46 6,47 35,48 3.932,49 3.932,50 50,51 4.615,52 75.718,53 2.5,54 5.493,55 25.177,56 486.745,57 3.724,58 4.595,59 35870,60 28.75,61 176.108,62 266,63 38873,64 5.47,65 0.215,66 0.224,67 2,68 19.44,69 3.83,70 6.24}
{0 CHEMBL91550,1 1,2 1,4 2.469,6 11.371,8 1,13 1,17 4.611,19 3.252,20 5.335,22 3.392,23 3.276,24 7.249,25 5.445,26 71028,27 8.533,28 22,29 2.168,30 94.801,31 4.19,32 65,33 24.495,34 24.495,35 24.495,36 24.495,37 24.495,38 1.795,39 3.733,40 314.128,41 2.399,42 3.517,44 2.002,46 5,47 30,48 3.932,49 3.932,50 50,51 4.615,52 75.159,53 2.5,54 5.313,55 24.861,56 490.701,57 3.743,59 37023,60 28.25,61 184.454,62 273,63 38988,64 5.499,65 0.217,66 0.227,68 19.575,69 3.86,70 6.72}
{0 CHEMBL91824,1 2,2 2,3 121.422,4 4.974,5 1,6 12.925,8 2,9 4,11 22.899,12 1,13 0.5,14 4,16 5,17 4.844,18 305.369,19 4.269,20 5.384,21 1,22 3.118,23 3.056,24 6.967,25 5.189,26 158566,27 9.169,28 28,29 2.119,30 74.207,31 3.922,32 49.5,33 19.666,34 19.666,35 19.666,36 19.666,37 19.666,38 1.399,39 3.525,40 224.576,41 2.149,42 3.233,43 2,44 2.001,45 3,46 6,47 35,48 3.714,49 3.714,50 40,51 4.394,52 60.155,53 2,54 5.353,55 20.806,56 342.59,57 3.537,58 4.727,59 19994,60 24.25,61 132.656,62 188,63 22131,64 5.1,65 0.243,66 0.255,67 3,68 15.316,69 3.876,70 7.523}
{0 CHEMBL91956,1 1,2 1,4 2.38,6 11.405,8 1,11 5.163,13 1,14 1,16 2,17 4.641,19 3.209,20 5.306,22 3.463,23 3.276,24 7.228,25 5.418,26 64352,27 8.472,28 25,29 2.15,30 92.316,31 4.159,32 63,33 23.541,34 23.541,35 23.541,36 23.541,37 23.541,38 1.679,39 3.716,40 295.851,41 2.401,42 3.526,44 1.982,46 5,47 30,48 3.892,49 3.892,50 48,51 4.575,52 72.748,53 2.5,54 5.306,55 23.987,56 465.963,57 3.732,59 32218,60 27.5,61 172.801,62 247,63 33958,64 5.435,65 0.225,66 0.235,68 18.981,69 3.801,70 6.61}
{0 CHEMBL92322,1 1,2 1,4 2.518,6 12.814,8 1,11 5.294,13 0.833,14 1,16 2,17 4.784,18 220.136,19 3.678,20 5.574,22 3.459,23 3.277,24 7.276,25 5.467,26 113083,27 8.876,28 28,29 1.928,30 97.979,31 4.212,32 66.5,33 25.078,34 25.078,35 25.078,36 25.078,37 25.078,38 1.697,39 3.753,40 303.818,41 2.427,42 3.519,43 1,44 1.993,46 6,47 36,48 3.951,49 3.951,50 51,51 4.635,52 77.059,53 2.522,54 5.529,55 25.444,56 500.676,57 3.743,59 37958,60 28.25,61 186.792,62 274,63 41053,64 5.501,65 0.2,66 0.209,68 19.794,69 3.873,70 6.2}
{0 CHEMBL92496,1 2,2 2,3 111.638,4 5.048,5 1,6 10.964,8 2,9 4,11 22.837,12 1,13 0.6,14 4,16 4,17 4.625,18 126.454,19 4.45,20 5.16,21 1,22 2.903,23 2.792,24 6.804,25 5.043,26 69614,27 8.518,28 28,29 1.701,30 63.613,31 3.784,32 43,33 17.678,34 17.678,35 17.678,36 17.678,37 17.678,38 1.308,39 3.511,40 198.207,41 1.792,42 3.107,43 1,44 1.966,45 3,46 5,47 29,48 3.611,49 3.611,50 36,51 4.29,52 53.616,53 1.627,54 5.001,55 18.735,56 294.722,57 3.524,58 4.727,59 15352,60 21.75,61 123.489,62 158,63 16599,64 4.966,65 0.241,66 0.25,67 3,68 13.678,69 3.789,70 7.051}
{0 CHEMBL92860,1 2,2 2,3 121.422,4 5.03,5 1,6 12.925,8 2,9 4,11 22.92,12 1,13 0.5,14 4,16 4,17 4.844,18 305.369,19 4.4,20 5.385,21 1,22 3.118,23 3.056,24 6.967,25 5.189,26 158566,27 9.169,28 30,29 2.119,30 74.207,31 3.922,32 49.5,33 19.666,34 19.666,35 19.666,36 19.666,37 19.666,38 1.401,39 3.526,40 216.644,41 2.149,42 3.233,43 2,44 2.002,45 3,46 6,47 35,48 3.714,49 3.714,50 40,51 4.394,52 60.155,53 2,54 5.294,55 20.716,56 342.59,57 3.537,58 4.727,59 19994,60 23.75,61 135.185,62 188,63 22131,64 5.1,65 0.235,66 0.246,67 3,68 15.316,69 3.876,70 8.266}
{0 CHEMBL93171,1 2,2 2,3 123.422,4 5.016,5 1,6 11.575,7 2.281,8 2,9 4,10 1,11 22.882,12 1,13 0.6,14 4,15 1,16 4,17 4.536,18 139.795,19 4.29,20 5.256,21 1,22 3.05,23 2.816,24 6.862,25 5.112,26 78835,27 8.608,28 29,29 2.121,30 67.877,31 3.85,32 46,33 18.678,34 18.678,35 18.678,36 18.678,37 18.678,38 1.328,39 3.538,40 219.561,41 1.899,42 3.226,43 1,44 1.976,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.77,53 1.629,54 5.226,55 19.729,56 317.95,57 3.547,58 4.727,59 18225,60 22.75,61 133.335,62 180,63 19609,64 5.055,65 0.234,66 0.243,67 3,68 14.678,69 3.866,70 9.699}
{0 CHEMBL93489,1 2,2 2,3 118.047,4 4.97,5 1,6 11.563,7 4.453,8 2,9 4,10 2,11 22.834,12 1,13 0.6,14 4,15 2,16 4,17 4.56,18 133.656,19 4.273,20 5.226,21 1,22 3.007,23 2.797,24 6.812,25 5.081,26 75450,27 8.564,28 30,29 1.718,30 65.93,31 3.829,32 45,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.312,39 3.522,40 210.592,41 1.799,42 3.144,43 1,44 1.975,45 3,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 55.182,53 1.629,54 5.195,55 19.237,56 303.433,57 3.535,58 4.727,59 17120,60 22.25,61 129.053,62 172,63 18494,64 5.009,65 0.239,66 0.249,67 3,68 14.032,69 3.855,70 8.208}
{0 CHEMBL93801,1 2,2 2,3 260.523,4 5.053,5 2,6 12.593,8 2,9 4,11 22.913,12 1,13 0.5,14 4,16 4,17 4.653,18 132.333,19 4.474,20 5.318,21 1,22 3.05,23 3.041,24 6.974,25 5.165,26 142350,27 9.093,28 27,29 2.008,30 72.501,31 3.892,32 48,33 19.161,34 19.161,35 19.161,36 19.161,37 19.161,38 1.335,39 3.51,40 218.18,41 2.114,42 3.219,43 1,44 1.956,45 3,46 6,47 34,48 3.689,49 3.689,50 39,51 4.369,52 59.114,53 2,54 5.287,55 20.496,56 332.926,57 3.522,58 5.416,59 18159,60 23.25,61 134.019,62 175,63 20123,64 5.059,65 0.255,66 0.267,67 3,68 15.429,69 3.801,70 7.886}
{0 CHEMBL94129,1 2,2 2,3 121.422,4 5.03,5 1,6 12.925,8 2,9 4,11 22.92,12 1,13 0.5,14 4,16 4,17 4.844,18 305.369,19 4.4,20 5.385,21 1,22 3.118,23 3.056,24 6.967,25 5.189,26 158566,27 9.169,28 30,29 2.119,30 74.207,31 3.922,32 49.5,33 19.666,34 19.666,35 19.666,36 19.666,37 19.666,38 1.401,39 3.526,40 216.644,41 2.149,42 3.233,43 2,44 2.002,45 3,46 6,47 35,48 3.714,49 3.714,50 40,51 4.394,52 60.155,53 2,54 5.294,55 20.716,56 342.59,57 3.537,58 4.727,59 19994,60 23.75,61 135.185,62 188,63 22131,64 5.1,65 0.235,66 0.246,67 3,68 15.316,69 3.876,70 8.509}
{0 CHEMBL94190,1 2,2 2,3 118.047,4 4.97,5 1,6 11.563,7 4.453,8 2,9 4,10 2,11 22.834,12 1,13 0.6,14 4,15 2,16 4,17 4.56,18 133.656,19 4.273,20 5.226,21 1,22 3.007,23 2.797,24 6.812,25 5.081,26 75450,27 8.564,28 30,29 1.718,30 65.93,31 3.829,32 45,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.312,39 3.522,40 210.592,41 1.799,42 3.144,43 1,44 1.975,45 3,46 5,47 29,48 3.638,49 3.638,50 37,51 4.317,52 55.182,53 1.629,54 5.195,55 19.237,56 303.433,57 3.535,58 4.727,59 17120,60 22.25,61 129.053,62 172,63 18494,64 5.009,65 0.239,66 0.249,67 3,68 14.032,69 3.855,70 8.022}
{0 CHEMBL94435,1 2,2 2,3 265.411,4 5.049,5 2,6 12.571,8 2,9 4,11 22.904,12 1,13 0.5,14 4,16 4,17 4.337,18 133.404,19 4.476,20 5.318,21 1,22 3.049,23 3.032,24 6.961,25 5.165,26 142574,27 9.093,28 28,29 2.078,30 72.347,31 3.892,32 48,33 19.183,34 19.183,35 19.183,36 19.183,37 19.183,38 1.35,39 3.516,40 214.039,41 2.142,42 3.221,43 1,44 1.968,45 3,46 6,47 34,48 3.689,49 3.689,50 39,51 4.369,52 59.058,53 1.847,54 5.287,55 20.559,56 331.119,57 3.527,58 5.416,59 18399,60 23.25,61 133.897,62 177,63 20413,64 5.058,65 0.255,66 0.267,67 3,68 15.643,69 3.82,70 7.051}
{0 CHEMBL95218,1 2,2 2,3 123.505,4 4.837,5 1,6 11.708,7 4.08,8 2,9 4,10 2,11 22.775,12 1,13 0.6,14 4,15 2,16 4,17 4.595,18 139.919,19 3.629,20 5.351,21 1,22 3.108,23 2.808,24 6.86,25 5.112,26 84391,27 8.649,28 29,29 2.13,30 67.763,31 3.85,32 46,33 18.662,34 18.662,35 18.662,36 18.662,37 18.662,38 1.314,39 3.522,40 219.263,41 1.829,42 3.266,43 1,44 1.976,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.774,53 1.629,54 5.32,55 19.842,56 315.6,57 3.535,58 4.727,59 18629,60 23,61 129.27,62 184,63 20041,64 5.054,65 0.255,66 0.265,67 3,68 14.032,69 3.875,70 9.155}
{0 CHEMBL95290,1 1,2 1,4 2.465,6 11.436,8 1,11 5.815,13 1,14 1,17 4.976,19 3.22,20 5.713,22 3.433,23 3.278,24 7.287,25 5.507,26 84718,27 8.698,28 30,29 2.204,30 100.963,31 4.263,32 70,33 26.992,34 26.992,35 26.992,36 26.992,37 26.992,38 1.853,39 3.729,40 361.664,41 2.403,42 3.518,44 2.002,46 5,47 30,48 4.025,49 4.025,50 55,51 4.71,52 81.443,53 2.504,54 5.693,55 27.692,56 563.58,57 3.743,59 47059,60 31.75,61 203.82,62 301,63 49121,64 5.645,65 0.215,66 0.223,68 21.185,69 3.9,70 6.325}
{0 CHEMBL954,1 1,2 1,4 2.351,6 9.704,8 1,9 1,11 5.935,13 1,14 1,17 4.142,19 4.05,20 4.824,22 2.564,23 2.5,24 6.485,25 4.924,26 9079,27 7.004,28 22,29 1,30 58.727,31 3.738,32 41,33 15.176,34 15.176,35 15.176,36 15.176,37 15.176,38 1,39 3.537,40 161.056,41 1.5,42 2.881,44 1.932,45 1,46 3,47 18,48 3.466,49 3.466,50 31,51 4.143,52 44.749,53 1.219,54 4.719,55 15.807,56 241.524,57 3.539,59 10440,60 17,61 124.584,62 118,63 10569,64 4.821,65 0.217,66 0.228,67 1,68 11.96,69 3.469,70 5.829}
{0 CHEMBL95578,1 1,2 1,4 2.454,6 11.419,8 1,11 5.888,13 1,14 1,17 4.797,19 3.142,20 5.668,22 3.401,23 3.276,24 7.273,25 5.495,26 82408,27 8.666,28 28,29 2.206,30 99.896,31 4.248,32 69,33 26.533,34 26.533,35 26.533,36 26.533,37 26.533,38 1.804,39 3.727,40 357.155,41 2.399,42 3.518,44 2,46 5,47 30,48 4.007,49 4.007,50 54,51 4.691,52 80.117,53 2.5,54 5.668,55 27.128,56 545.42,57 3.742,59 45363,60 31,61 199.041,62 297,63 47432,64 5.617,65 0.218,66 0.227,68 21.017,69 3.9,70 6.544}
{0 CHEMBL96467,1 1,2 1,4 3.244,6 9.716,8 2,9 1,11 5.168,13 1,14 1,16 2,17 4.735,19 -0.824,20 5.329,22 2.936,23 2.819,24 6.849,25 5.094,26 34086,27 7.872,28 17,29 1.748,30 66.242,31 3.829,32 45,33 18.2,34 18.2,35 18.2,36 18.2,37 18.2,38 1.312,39 3.52,40 217.154,41 1.94,42 3.388,44 1.922,46 4,47 23,48 3.638,49 3.638,50 37,51 4.317,52 55.718,53 1.519,54 5.329,55 19.119,56 305.573,57 3.553,58 4.844,59 18173,60 22.25,61 121.176,62 184,63 19146,64 5.06,65 0.271,66 0.282,68 13.184,69 3.859,70 7.347}
{0 CHEMBL98063,1 1,2 1,4 2.432,6 11.476,8 1,11 5.765,13 1,14 1,17 4.952,19 3.042,20 5.636,22 3.403,23 3.321,24 7.279,25 5.531,26 85708,27 8.698,28 28,29 2.217,30 103.239,31 4.29,32 72,33 27.033,34 27.033,35 27.033,36 27.033,37 27.033,38 1.805,39 3.727,40 359.809,41 2.499,42 3.518,44 2,45 1,46 5,47 30,48 4.025,49 4.025,50 55,51 4.71,52 81.82,53 2.543,54 5.636,55 27.658,56 557.753,57 3.742,59 47958,60 31.5,61 100.249,62 305,63 50073,64 5.644,65 0.229,66 0.239,68 21.37,69 3.937,70 6.65}
{0 CHEMBL98541,1 2,2 2,3 129.734,4 4.89,5 1,6 11.716,7 2.225,8 2,9 4,10 1,11 22.822,12 1,13 0.6,14 4,15 1,16 4,17 4.729,18 146.938,19 3.814,20 5.256,21 1,22 3.116,23 2.892,24 6.915,25 5.142,26 88001,27 8.69,28 28,29 2.131,30 69.862,31 3.871,32 47,33 19.106,34 19.106,35 19.106,36 19.106,37 19.106,38 1.326,39 3.529,40 228.051,41 1.948,42 3.278,43 1,44 1.981,45 3,46 5,47 29,48 3.689,49 3.689,50 39,51 4.369,52 58.46,53 1.638,54 5.226,55 20.288,56 329.65,57 3.54,58 4.727,59 19955,60 23.5,61 133.552,62 193,63 21388,64 5.098,65 0.249,66 0.259,67 3,68 14.55,69 3.923,70 9.523}
{0 CHEMBL98646,1 2,2 2,3 118.393,4 5.023,5 1,6 11.191,7 2.299,8 2,9 4,10 1,11 22.863,12 1,13 0.6,14 4,15 1,16 4,17 4.56,18 133.979,19 4.36,20 5.277,21 1,22 3.038,23 2.79,24 6.853,25 5.086,26 69427,27 8.52,28 26,29 2.121,30 65.918,31 3.818,32 44.5,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.305,39 3.536,40 219.274,41 1.788,42 3.223,43 1,44 1.827,45 3,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 55.65,53 1.629,54 5.246,55 19.569,56 307.094,57 3.541,58 5.283,59 16676,60 22.25,61 132.169,62 168,63 17979,64 5.011,65 0.254,66 0.265,67 3,68 14.934,69 3.805,70 9.699}
{0 CHEMBL98889,1 2,2 2,3 123.422,4 4.986,5 1,6 11.575,7 2.218,8 2,9 4,10 1,11 22.866,12 1,13 0.6,14 4,15 1,16 4,17 4.536,18 139.795,19 4.164,20 5.343,21 1,22 3.05,23 2.816,24 6.862,25 5.112,26 78835,27 8.608,28 26,29 2.121,30 67.877,31 3.85,32 46,33 18.678,34 18.678,35 18.678,36 18.678,37 18.678,38 1.324,39 3.528,40 226.063,41 1.899,42 3.226,43 1,44 1.965,45 3,46 5,47 29,48 3.664,49 3.664,50 38,51 4.344,52 56.77,53 1.629,54 5.313,55 19.824,56 317.95,57 3.54,58 4.727,59 18225,60 23.25,61 131.178,62 180,63 19609,64 5.055,65 0.243,66 0.252,67 3,68 14.678,69 3.866,70 8.678}
{0 CHEMBL99864,1 1,2 1,4 2.472,6 11.419,8 1,11 5.244,13 1,14 1,17 4.797,19 3.234,20 5.665,22 3.401,23 3.276,24 7.273,25 5.495,26 82408,27 8.666,28 27,29 2.209,30 99.896,31 4.248,32 69,33 26.533,34 26.533,35 26.533,36 26.533,37 26.533,38 1.836,39 3.74,40 351.756,41 2.399,42 3.518,44 2.007,46 5,47 30,48 4.007,49 4.007,50 54,51 4.691,52 80.117,53 2.5,54 5.665,55 27.104,56 545.42,57 3.743,59 45363,60 30.75,61 200.336,62 297,63 47432,64 5.617,65 0.213,66 0.221,68 21.017,69 3.9,70 6.45}
{0 CHEMBL99868,1 2,2 2,3 133.274,4 4.984,5 1,6 11.898,7 2.224,8 2,9 5,10 1,11 28.395,12 1,13 0.6,14 5,15 1,16 4,17 4.816,18 151.221,19 5.032,20 5.431,21 1,22 3.056,23 2.917,24 6.938,25 5.159,26 97211,27 8.766,28 31,29 2.126,30 70.95,31 3.892,32 48,33 19.577,34 19.577,35 19.577,36 19.577,37 19.577,38 1.39,39 3.538,40 230.5,41 2.084,42 3.233,43 1,44 1.981,45 3,46 5,47 29,48 3.714,49 3.714,50 40,51 4.394,52 59.567,53 1.723,54 5.287,55 20.808,56 343.503,57 3.548,58 4.727,59 21194,60 24.25,61 139.798,62 201,63 22643,64 5.141,65 0.234,66 0.243,67 4,68 15.386,69 3.888,70 9.398}
{0 CHEMBL99916,1 2,2 2,3 118.393,4 4.956,5 1,6 11.191,7 2.114,8 2,9 5,10 1,11 22.832,12 1,13 0.6,14 4,15 1,16 4,17 4.56,18 133.979,19 3.915,20 5.277,21 1,22 3.038,23 2.79,24 6.853,25 5.086,26 69427,27 8.52,28 26,29 2.121,30 65.918,31 3.818,32 44.5,33 18.178,34 18.178,35 18.178,36 18.178,37 18.178,38 1.306,39 3.524,40 219.274,41 1.788,42 3.223,43 1,44 1.843,45 3,46 5,47 28,48 3.638,49 3.638,50 37,51 4.317,52 55.65,53 1.629,54 5.246,55 19.229,56 307.094,57 3.537,58 5.283,59 16676,60 22.75,61 125.726,62 168,63 17979,64 5.011,65 0.245,66 0.255,67 3,68 14.324,69 3.805,70 9.301}