@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2336

@attribute molecule_id {CHEMBL10,CHEMBL103667,CHEMBL104119,CHEMBL104749,CHEMBL104991,CHEMBL105248,CHEMBL107850,CHEMBL1096192,CHEMBL1096830,CHEMBL1098524,CHEMBL1098525,CHEMBL1098546,CHEMBL1098551,CHEMBL1098552,CHEMBL1098554,CHEMBL1098797,CHEMBL1098822,CHEMBL115509,CHEMBL115769,CHEMBL117109,CHEMBL117228,CHEMBL118187,CHEMBL118258,CHEMBL118281,CHEMBL118419,CHEMBL118466,CHEMBL118651,CHEMBL118768,CHEMBL118917,CHEMBL119385,CHEMBL119406,CHEMBL119595,CHEMBL119648,CHEMBL119675,CHEMBL119695,CHEMBL119699,CHEMBL119849,CHEMBL119952,CHEMBL120032,CHEMBL120066,CHEMBL120067,CHEMBL120085,CHEMBL120127,CHEMBL120160,CHEMBL120185,CHEMBL120230,CHEMBL120300,CHEMBL120316,CHEMBL120317,CHEMBL120453,CHEMBL120663,CHEMBL120730,CHEMBL120911,CHEMBL121294,CHEMBL121317,CHEMBL121405,CHEMBL121512,CHEMBL122061,CHEMBL123469,CHEMBL139991,CHEMBL141294,CHEMBL142115,CHEMBL143134,CHEMBL143141,CHEMBL143207,CHEMBL143373,CHEMBL143886,CHEMBL192848,CHEMBL192889,CHEMBL199319,CHEMBL199322,CHEMBL199595,CHEMBL199699,CHEMBL199853,CHEMBL199936,CHEMBL199937,CHEMBL199986,CHEMBL199993,CHEMBL200017,CHEMBL200040,CHEMBL200120,CHEMBL200820,CHEMBL203210,CHEMBL2088575,CHEMBL2088576,CHEMBL2088577,CHEMBL2088578,CHEMBL2088579,CHEMBL2088580,CHEMBL2088581,CHEMBL2088582,CHEMBL2088583,CHEMBL2088584,CHEMBL2088585,CHEMBL2088586,CHEMBL2088587,CHEMBL2088588,CHEMBL2088589,CHEMBL2088590,CHEMBL2088591,CHEMBL2111784,CHEMBL219804,CHEMBL22618,CHEMBL22712,CHEMBL22818,CHEMBL22978,CHEMBL23828,CHEMBL25219,CHEMBL270002,CHEMBL270657,CHEMBL270842,CHEMBL271059,CHEMBL271443,CHEMBL271505,CHEMBL272108,CHEMBL272142,CHEMBL272535,CHEMBL272731,CHEMBL272989,CHEMBL274201,CHEMBL277409,CHEMBL278783,CHEMBL280149,CHEMBL280524,CHEMBL281145,CHEMBL284015,CHEMBL291427,CHEMBL291834,CHEMBL294052,CHEMBL295787,CHEMBL304416,CHEMBL304523,CHEMBL305797,CHEMBL306667,CHEMBL307336,CHEMBL318810,CHEMBL324063,CHEMBL325706,CHEMBL325854,CHEMBL326260,CHEMBL326748,CHEMBL331215,CHEMBL331252,CHEMBL331335,CHEMBL331842,CHEMBL331920,CHEMBL332342,CHEMBL332401,CHEMBL332666,CHEMBL332738,CHEMBL333243,CHEMBL333309,CHEMBL333899,CHEMBL333923,CHEMBL334158,CHEMBL334184,CHEMBL334188,CHEMBL334215,CHEMBL334248,CHEMBL336001,CHEMBL336681,CHEMBL341559,CHEMBL342523,CHEMBL342952,CHEMBL343227,CHEMBL344625,CHEMBL344800,CHEMBL348228,CHEMBL364572,CHEMBL370156,CHEMBL370808,CHEMBL371756,CHEMBL380596,CHEMBL381457,CHEMBL402188,CHEMBL402219,CHEMBL402399,CHEMBL403737,CHEMBL404377,CHEMBL409698,CHEMBL411291,CHEMBL415712,CHEMBL415714,CHEMBL419069,CHEMBL419409,CHEMBL423196,CHEMBL424107,CHEMBL425393,CHEMBL429422,CHEMBL432839,CHEMBL434409,CHEMBL437030,CHEMBL442972,CHEMBL444636,CHEMBL63135,CHEMBL63442,CHEMBL63983,CHEMBL65541,CHEMBL66600,CHEMBL66601,CHEMBL66802,CHEMBL94417}
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_EA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute MPC06 numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA.ri. numeric
@attribute MPC10 numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute ATSC6i numeric
@attribute Eig11_EA numeric
@attribute SM05_AEA.dm. numeric
@attribute TPC numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA numeric
@attribute SM04_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute Wap numeric
@attribute Eig13_AEA.bo. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SRW08 numeric
@attribute MWC04 numeric
@attribute SRW06 numeric
@attribute SpAD_EA.ri. numeric
@attribute ATSC5i numeric
@attribute MWC07 numeric
@attribute MPC04 numeric
@attribute X5 numeric
@attribute SpAD_AEA.dm. numeric
@attribute RDSQ numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_AEA.bo. numeric
@attribute ATS5m numeric
@attribute SpAD_EA.ed. numeric
@attribute MWC05 numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA.ri. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi1_EA.ed. numeric
@attribute MPC07 numeric
@attribute SM02_AEA.ed. numeric
@attribute Eig11_AEA.bo. numeric
@attribute SpMax5_Bh.e. numeric
@attribute MWC03 numeric
@attribute ZM2 numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_EA.ed. numeric
@attribute SM09_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM11_EA.ed. numeric
@attribute SM12_EA.ed. numeric
@attribute SM13_EA.ed. numeric
@attribute SM14_EA.ed. numeric
@attribute SM15_EA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMax_EA.ed. numeric
@attribute MWC02 numeric
@attribute ZM1 numeric
@attribute SM04_EA.ed. numeric
@attribute ATS6m numeric
@attribute MPC03 numeric
@attribute Eig01_EA numeric
@attribute pXC50 numeric

@data
{1 3.414,2 2.275,3 2.275,4 4.718,5 2,6 1,7 5.231,8 0.157,9 1.223,10 1,11 1,12 7.412,13 1.5,14 1,15 1,16 7.372,17 14504,18 2.277,19 18.235,20 4.347,21 8.551,22 6.711,23 6.952,24 43.112,25 1.29,26 9.365,27 4.304,28 6.78,29 48.057,30 237.009,31 45.542,32 45.393,33 46.121,34 3.857,35 130.187,36 7.588,37 0.504,38 -0.422,39 10.837,40 5.164,41 4.875,42 5.814,43 2.5,44 3.381,45 5.832,46 170,47 6.747,48 11.08,49 21.832,50 11.08,51 24.24,52 26.576,53 28.972,54 31.342,55 33.738,56 36.124,57 6.747,58 11.08,59 4.977,60 144,61 10.63,62 3.898,63 4.043,64 3.204,65 7.699}
{0 CHEMBL103667,1 3.952,2 3.269,3 3.269,4 4.977,5 2.444,6 1.373,7 5.366,8 0.084,9 2.014,10 1.327,11 1.327,12 8.452,13 1.922,14 1.557,15 1.557,16 7.772,17 65902,18 2.5,19 19.07,20 4.737,21 8.929,22 7.074,23 7.323,24 62.139,25 2.184,26 9.711,27 4.635,28 9.739,29 66.112,30 385.073,31 64.61,32 64.651,33 65.312,34 4.298,35 187.972,36 7.942,37 1.952,38 0.946,39 15.44,40 7.396,41 5.075,42 6.196,43 2.669,44 3.593,45 6.188,46 243,47 7.139,48 11.836,49 22.783,50 11.836,51 25.235,52 27.64,53 30.083,54 32.509,55 34.951,56 37.389,57 7.139,58 11.836,59 5.342,60 208,61 11.162,62 4.272,63 4.369,64 3.366,65 10.337}
{0 CHEMBL104119,1 3.596,2 2.8,3 2.8,4 4.71,5 2.285,6 1.281,7 5.124,8 0.094,9 1.554,10 1.18,11 1.18,12 8.18,13 1.62,14 1.294,15 1.294,16 7.506,17 49129,18 2.468,19 18.107,20 4.546,21 8.722,22 6.899,23 7.133,24 53.541,25 1.727,26 9.501,27 4.511,28 8.525,29 57.149,30 314.444,31 56.06,32 56.026,33 56.379,34 4.114,35 154.314,36 7.76,37 1.874,38 0.869,39 14.514,40 6.929,41 4.836,42 5.979,43 2.573,44 3.516,45 6.033,46 208,47 6.702,48 10.879,49 21.957,50 10.879,51 24.357,52 26.68,53 29.06,54 31.409,55 33.782,56 36.143,57 6.702,58 10.879,59 5.187,60 178,61 10.739,62 3.993,63 4.234,64 3.146,65 5.62}
{0 CHEMBL104749,1 3.648,2 2.868,3 2.868,4 4.635,5 2.286,6 1.281,7 5.024,8 0.1,9 1.585,10 1.243,11 1.243,12 7.849,13 1.643,14 1.297,15 1.297,16 7.597,17 30577,18 2.131,19 18.996,20 4.548,21 8.74,22 6.887,23 7.14,24 51.644,25 1.745,26 9.501,27 4.419,28 7.922,29 55.632,30 297.198,31 54.059,32 54.098,33 54.591,34 4.076,35 157.055,36 7.747,37 1.262,38 0.299,39 12.949,40 6.189,41 4.7,42 6.019,43 2.596,44 3.51,45 6.004,46 202,47 7.13,48 11.767,49 22.636,50 11.767,51 25.09,52 27.499,53 29.944,54 32.374,55 34.818,56 37.258,57 7.13,58 11.767,59 5.165,60 174,61 10.994,62 3.935,63 4.174,64 3.349,65 7.585}
{0 CHEMBL104991,1 3.952,2 3.269,3 3.269,4 4.977,5 2.444,6 1.373,7 5.366,8 0.084,9 1.981,10 1.327,11 1.327,12 8.452,13 1.922,14 1.557,15 1.557,16 7.772,17 65902,18 2.5,19 19.07,20 4.728,21 8.929,22 7.074,23 7.323,24 61.852,25 2.141,26 9.711,27 4.635,28 9.739,29 66.112,30 385.073,31 64.606,32 64.651,33 65.312,34 4.303,35 187.972,36 7.942,37 1.952,38 0.946,39 15.44,40 7.396,41 5.075,42 6.196,43 2.669,44 3.591,45 6.188,46 243,47 7.139,48 11.836,49 22.783,50 11.836,51 25.235,52 27.64,53 30.083,54 32.509,55 34.951,56 37.389,57 7.139,58 11.836,59 5.342,60 208,61 11.162,62 4.273,63 4.369,64 3.366,65 9.745}
{0 CHEMBL105248,1 3.707,2 2.868,3 2.868,4 4.883,5 2.442,6 1.373,7 5.273,8 0.087,9 1.873,10 1.293,11 1.293,12 8.327,13 1.92,14 1.456,15 1.456,16 7.626,17 57013,18 2.474,19 18.108,20 4.645,21 8.822,22 6.993,23 7.229,24 58.498,25 2.013,26 9.617,27 4.595,28 9.361,29 62.248,30 355.878,31 61.032,32 61.011,33 61.436,34 4.243,35 170.882,36 7.861,37 1.952,38 0.946,39 15.353,40 7.341,41 4.99,42 6.084,43 2.601,44 3.554,45 6.12,46 227,47 6.702,48 10.879,49 22.076,50 10.879,51 24.479,52 26.803,53 29.186,54 31.538,55 33.915,56 36.279,57 6.702,58 10.879,59 5.273,60 194,61 10.871,62 4.19,63 4.317,64 3.152,65 8.469}
{0 CHEMBL107850,1 3.956,2 3.269,3 3.269,4 5.004,5 2.444,6 1.373,7 5.407,8 0.083,9 2.038,10 1.368,11 1.368,12 8.493,13 1.922,14 1.557,15 1.557,16 7.798,17 68829,18 2.5,19 19.807,20 4.75,21 8.954,22 7.096,23 7.344,24 62.976,25 2.234,26 9.739,27 4.654,28 9.821,29 67.474,30 398.908,31 65.532,32 65.648,33 65.998,34 4.339,35 190.763,36 7.968,37 1.952,38 0.946,39 15.893,40 7.496,41 5.118,42 6.217,43 2.71,44 3.6,45 6.213,46 249,47 7.303,48 12.44,49 23.075,50 12.44,51 25.568,52 28.027,53 30.517,54 32.998,55 35.492,56 37.985,57 7.303,58 12.44,59 5.361,60 212,61 11.234,62 4.311,63 4.407,64 3.41,65 7.252}
{0 CHEMBL1096192,1 4.113,2 3.423,3 3.423,4 5.043,5 2.394,6 1.381,7 5.624,8 0.101,9 1.938,10 1.258,11 1.258,12 8.377,13 1.898,14 1.405,15 1.405,16 7.683,17 53827,18 2.52,19 19.754,20 4.614,21 8.869,22 6.982,23 7.213,24 53.106,25 1.844,26 9.709,27 4.644,28 9.149,29 57.04,30 319.983,31 55.053,32 54.873,33 56.559,34 4.284,35 165.992,36 7.884,37 1.194,38 0.194,39 12.308,40 5.817,41 5.209,42 6.084,43 2.716,44 3.464,45 6.071,46 216,47 7.028,48 12.038,49 22.744,50 12.038,51 25.224,52 27.639,53 30.107,54 32.551,55 35.019,56 37.479,57 7.028,58 12.038,59 5.187,60 178,61 11.123,62 4.23,63 4.317,64 3.321,65 7.886}
{0 CHEMBL1096830,1 3.919,2 3.184,3 3.184,4 4.977,5 2.385,6 1.36,7 5.472,8 0.109,9 1.987,10 1.287,11 1.287,12 8.044,13 1.888,14 1.408,15 1.408,16 7.652,17 34143,18 1.843,19 20.018,20 4.544,21 8.836,22 6.929,23 7.165,24 49.227,25 2.03,26 9.666,27 4.585,28 8.609,29 55.164,30 300.711,31 51.495,32 51.317,33 52.726,34 4.365,35 156.712,36 7.833,37 0.978,38 0.03,39 11.679,40 5.385,41 5.136,42 6.038,43 2.759,44 3.394,45 6.014,46 204,47 7.095,48 12.274,49 22.898,50 12.274,51 25.398,52 27.838,53 30.326,54 32.794,55 35.282,56 37.764,57 7.095,58 12.274,59 5.13,60 168,61 11.149,62 4.134,63 4.263,64 3.35,65 8.824}
{0 CHEMBL1098524,1 3.583,2 2.268,3 2.268,4 4.828,5 2.248,6 1.238,7 5.278,8 0.122,9 1.728,10 0.931,11 0.931,12 7.734,13 1.816,14 1.264,15 1.264,16 7.515,17 23277,18 1.338,19 19.997,20 4.417,21 8.715,22 6.804,23 7.04,24 43.623,25 1.755,26 9.54,27 4.477,28 7.722,29 47.737,30 251.315,31 45.667,32 45.442,33 46.834,34 4.158,35 137.809,36 7.708,37 0.557,38 -0.305,39 10.347,40 4.837,41 4.956,42 5.905,43 2.548,44 3.128,45 5.889,46 180,47 7.091,48 12.259,49 22.853,50 12.259,51 25.357,52 27.803,53 30.294,54 32.764,55 35.253,56 37.736,57 7.091,58 12.259,59 5.004,60 148,61 11.034,62 3.975,63 4.143,64 3.341,65 8.149}
{0 CHEMBL1098525,1 3.82,2 2.597,3 2.597,4 4.92,5 2.302,6 1.286,7 5.394,8 0.127,9 1.761,10 1.005,11 1.005,12 7.9,13 1.855,14 1.319,15 1.319,16 7.584,17 28501,18 1.851,19 20.012,20 4.485,21 8.778,22 6.87,23 7.104,24 46.405,25 1.914,26 9.608,27 4.543,28 8.25,29 53.449,30 275.959,31 48.51,32 48.309,33 51.027,34 4.245,35 147.106,36 7.774,37 0.673,38 -0.298,39 11.034,40 5.098,41 5.063,42 5.974,43 2.791,44 3.229,45 5.953,46 192,47 7.094,48 12.271,49 22.871,50 12.271,51 25.375,52 27.82,53 30.311,54 32.781,55 35.271,56 37.754,57 7.094,58 12.271,59 5.069,60 158,61 11.087,62 4.03,63 4.205,64 3.347,65 8.824}
{0 CHEMBL1098546,1 4.212,2 3.549,3 3.549,4 5.081,5 2.497,6 1.466,7 5.684,8 0.099,9 2.176,10 1.343,11 1.343,12 8.428,13 1.98,14 1.537,15 1.537,16 7.736,17 56490,18 2.55,19 20.02,20 4.641,21 8.918,22 7.026,23 7.253,24 54.518,25 2.182,26 9.765,27 4.7,28 9.471,29 58.93,30 333.968,31 56.895,32 56.674,33 58.251,34 4.409,35 173.085,36 7.931,37 1.34,38 0.345,39 12.53,40 5.915,41 5.257,42 6.129,43 2.83,44 3.463,45 6.107,46 224,47 7.095,48 12.275,49 22.925,50 12.275,51 25.422,52 27.858,53 30.343,54 32.808,55 35.294,56 37.774,57 7.095,58 12.275,59 5.22,60 184,61 11.212,62 4.238,63 4.357,64 3.35,65 7.854}
{0 CHEMBL1098551,1 4.212,2 3.549,3 3.549,4 5.081,5 2.496,6 1.466,7 5.684,8 0.099,9 2.172,10 1.343,11 1.343,12 8.428,13 1.98,14 1.537,15 1.537,16 7.736,17 56490,18 2.55,19 20.02,20 4.637,21 8.918,22 7.026,23 7.253,24 54.392,25 2.183,26 9.765,27 4.7,28 9.471,29 58.945,30 333.968,31 56.914,32 56.674,33 58.251,34 4.412,35 173.085,36 7.931,37 1.339,38 0.345,39 12.53,40 5.915,41 5.257,42 6.129,43 2.83,44 3.462,45 6.107,46 224,47 7.095,48 12.275,49 22.925,50 12.275,51 25.422,52 27.858,53 30.343,54 32.808,55 35.294,56 37.774,57 7.095,58 12.275,59 5.22,60 184,61 11.212,62 4.241,63 4.357,64 3.35,65 8.167}
{0 CHEMBL1098552,1 4.212,2 3.549,3 3.549,4 5.081,5 2.497,6 1.466,7 5.684,8 0.099,9 2.176,10 1.343,11 1.343,12 8.428,13 1.98,14 1.537,15 1.537,16 7.736,17 56490,18 2.55,19 20.02,20 4.636,21 8.918,22 7.026,23 7.253,24 54.364,25 2.182,26 9.765,27 4.7,28 9.471,29 58.93,30 333.968,31 56.882,32 56.674,33 58.251,34 4.409,35 173.085,36 7.931,37 1.336,38 0.344,39 12.53,40 5.915,41 5.257,42 6.129,43 2.83,44 3.463,45 6.107,46 224,47 7.095,48 12.275,49 22.925,50 12.275,51 25.422,52 27.858,53 30.343,54 32.808,55 35.294,56 37.774,57 7.095,58 12.275,59 5.22,60 184,61 11.212,62 4.238,63 4.357,64 3.35,65 8.056}
{0 CHEMBL1098554,1 3.91,2 3.178,3 3.178,4 5.017,5 2.394,6 1.379,7 5.576,8 0.104,9 1.856,10 1.243,11 1.243,12 8.277,13 1.898,14 1.405,15 1.405,16 7.639,17 47379,18 2.356,19 19.753,20 4.575,21 8.833,22 6.946,23 7.175,24 51.297,25 1.798,26 9.672,27 4.615,28 8.744,29 55.07,30 306.881,31 53.215,32 53.03,33 54.683,34 4.255,35 159.213,36 7.849,37 1.189,38 0.189,39 12.172,40 5.738,41 5.182,42 6.043,43 2.716,44 3.462,45 6.038,46 209,47 7.028,48 12.038,49 22.735,50 12.038,51 25.216,52 27.633,53 30.101,54 32.547,55 35.015,56 37.476,57 7.028,58 12.038,59 5.153,60 172,61 11.093,62 4.194,63 4.29,64 3.321,65 7.833}
{0 CHEMBL1098797,1 3.907,2 3.112,3 3.112,4 4.949,5 2.34,6 1.328,7 5.438,8 0.111,9 1.923,10 1.202,11 1.202,12 7.974,13 1.868,14 1.344,15 1.344,16 7.634,17 31218,18 1.837,19 20.017,20 4.535,21 8.817,22 6.907,23 7.144,24 48.7,25 2.057,26 9.646,27 4.564,28 8.542,29 53.486,30 289.004,31 50.626,32 50.416,33 51.937,34 4.326,35 154.235,36 7.812,37 0.691,38 -0.294,39 11.177,40 5.23,41 5.112,42 6.019,43 2.715,44 3.345,45 5.989,46 199,47 7.094,48 12.274,49 22.889,50 12.274,51 25.391,52 27.832,53 30.322,54 32.79,55 35.279,56 37.761,57 7.094,58 12.274,59 5.106,60 164,61 11.132,62 4.065,63 4.234,64 3.349,65 7.699}
{0 CHEMBL1098822,1 3.926,2 3.188,3 3.188,4 5.056,5 2.49,6 1.463,7 5.628,8 0.102,9 2.091,10 1.317,11 1.317,12 8.332,13 1.967,14 1.527,15 1.527,16 7.694,17 50008,18 2.337,19 20.02,20 4.604,21 8.884,22 6.991,23 7.217,24 52.7,25 2.136,26 9.73,27 4.673,28 9.063,29 56.931,30 320.918,31 55.048,32 54.823,33 56.387,34 4.384,35 166.285,36 7.897,37 1.326,38 0.335,39 12.394,40 5.837,41 5.226,42 6.089,43 2.812,44 3.461,45 6.075,46 217,47 7.095,48 12.275,49 22.918,50 12.275,51 25.415,52 27.853,53 30.339,54 32.805,55 35.291,56 37.772,57 7.095,58 12.275,59 5.187,60 178,61 11.184,62 4.201,63 4.331,64 3.35,65 8.276}
{0 CHEMBL115509,1 3.247,2 1.563,3 1.563,4 4.762,5 1.987,6 0.983,7 5.069,8 0.123,9 1.138,10 0.589,11 0.589,12 7.383,13 1.5,14 1,15 1,16 7.296,17 14458,18 0.999,19 19.421,20 4.228,21 8.498,22 6.645,23 6.868,24 38.295,25 1.124,26 9.366,27 4.331,28 6.829,29 41.049,30 209.722,31 40.637,32 40.658,33 40.876,34 3.852,35 118.252,36 7.543,37 0.198,38 -0.663,39 9.884,40 4.656,41 4.956,42 5.727,43 2.057,44 3.227,45 5.746,46 156,47 7.02,48 12.062,49 22.459,50 12.062,51 24.964,52 27.416,53 29.909,54 32.384,55 34.874,56 37.358,57 7.02,58 12.062,59 4.875,60 130,61 10.706,62 3.827,63 3.989,64 3.324,65 6.678}
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{0 CHEMBL117109,1 3.733,2 2.857,3 2.857,4 5.03,5 2.46,6 1.432,7 5.609,8 0.106,9 1.387,10 1.177,11 1.177,12 8.239,13 2.122,14 1.496,15 1.496,16 7.639,17 44833,18 2.5,19 19.417,20 4.525,21 8.827,22 6.948,23 7.175,24 50.108,25 1.264,26 9.686,27 4.625,28 9.087,29 55.592,30 307.831,31 53.678,32 53.265,33 54.594,34 4.35,35 159.965,36 7.854,37 1.105,38 0.144,39 12.197,40 5.774,41 5.22,42 6.043,43 2.663,44 3.332,45 6.038,46 209,47 7.024,48 12.072,49 22.856,50 12.072,51 25.345,52 27.78,53 30.255,54 32.712,55 35.185,56 37.652,57 7.024,58 12.072,59 5.153,60 172,61 11.108,62 4.25,63 4.29,64 3.332,65 7.31}
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{0 CHEMBL118258,1 3.832,2 2.768,3 2.768,4 5.024,5 2.253,6 1.235,7 5.68,8 0.114,9 2.146,10 1.133,11 1.133,12 8.164,13 1.792,14 1.301,15 1.301,16 7.804,17 38466,18 2.256,19 20.807,20 4.633,21 8.919,22 7.04,23 7.29,24 55.907,25 2.156,26 9.729,27 4.595,28 8.837,29 59.309,30 352.565,31 60.109,32 59.759,33 60.361,34 4.297,35 182.154,36 7.924,37 1.691,38 0.707,39 13.326,40 6.364,41 5.198,42 6.184,43 2.576,44 3.604,45 6.133,46 230,47 7.484,48 13.258,49 23.665,50 13.258,51 26.214,52 28.744,53 31.295,54 33.843,55 36.399,56 38.956,57 7.484,58 13.258,59 5.273,60 194,61 11.422,62 4.349,63 4.331,64 3.479,65 7.538}
{0 CHEMBL118281,1 3.83,2 2.751,3 2.751,4 4.984,5 2.231,6 1.214,7 5.568,8 0.098,9 2.008,10 1.068,11 1.068,12 8.15,13 1.804,14 1.278,15 1.278,16 7.716,17 39553,18 2.492,19 20.806,20 4.63,21 8.873,22 7.002,23 7.252,24 56.05,25 2.061,26 9.675,27 4.575,28 9.227,29 59.075,30 345.875,31 59.067,32 58.913,33 59.805,34 4.218,35 173.719,36 7.884,37 1.975,38 0.972,39 13.788,40 6.584,41 5.124,42 6.125,43 2.5,44 3.612,45 6.111,46 225,47 7.484,48 13.258,49 23.437,50 13.258,51 26.002,52 28.547,53 31.114,54 33.677,55 36.249,56 38.82,57 7.484,58 13.258,59 5.252,60 190,61 11.226,62 4.284,63 4.317,64 3.478,65 8.398}
{0 CHEMBL118419,1 3.83,2 2.751,3 2.751,4 4.984,5 2.227,6 1.205,7 5.568,8 0.098,9 1.943,10 1.068,11 1.068,12 8.15,13 1.804,14 1.278,15 1.278,16 7.716,17 39553,18 2.492,19 20.806,20 4.629,21 8.873,22 7.002,23 7.252,24 55.907,25 2.116,26 9.675,27 4.575,28 9.227,29 59.128,30 345.875,31 59.017,32 58.913,33 59.805,34 4.335,35 173.719,36 7.884,37 1.984,38 0.98,39 13.788,40 6.584,41 5.124,42 6.125,43 2.5,44 3.576,45 6.111,46 225,47 7.484,48 13.258,49 23.437,50 13.258,51 26.002,52 28.547,53 31.114,54 33.677,55 36.249,56 38.82,57 7.484,58 13.258,59 5.252,60 190,61 11.226,62 4.328,63 4.317,64 3.478,65 8.301}
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{0 CHEMBL118917,1 3.785,2 3.037,3 3.037,4 5.05,5 2.371,6 1.289,7 5.624,8 0.108,9 1.541,10 1.414,11 1.414,12 8.237,13 2.036,14 1.414,15 1.414,16 7.639,17 44651,18 2.245,19 19.688,20 4.525,21 8.827,22 6.948,23 7.175,24 50.011,25 1.378,26 9.687,27 4.625,28 9.004,29 55.256,30 308.299,31 53.639,32 53.162,33 54.028,34 4.354,35 159.711,36 7.854,37 1.052,38 0.069,39 12.232,40 5.798,41 5.242,42 6.043,43 2.847,44 3.342,45 6.038,46 209,47 7.051,48 12.167,49 22.8,50 12.167,51 25.289,52 27.721,53 30.199,54 32.659,55 35.138,56 37.612,57 7.051,58 12.167,59 5.153,60 172,61 11.1,62 4.348,63 4.29,64 3.345,65 6.682}
{0 CHEMBL119385,1 3.542,2 2.117,3 2.117,4 4.727,5 2.34,6 1.309,7 5.215,8 0.149,9 1.044,10 0.871,11 0.871,12 7.782,13 1.916,14 1.351,15 1.351,16 7.499,17 25663,18 1.597,19 19.503,20 4.36,21 8.699,22 6.801,23 7.047,24 42.898,25 1.119,26 9.489,27 4.431,28 7.701,29 51.825,30 253.772,31 47.199,32 46.83,33 48.27,34 4.383,35 139.634,36 7.689,37 0.473,38 -0.229,39 10.719,40 5.067,41 4.844,42 5.911,43 2.536,44 3.062,45 5.9,46 182,47 7.045,48 12.073,49 22.546,50 12.073,51 25.039,52 27.478,53 29.962,54 32.428,55 34.912,56 37.391,57 7.045,58 12.073,59 5.03,60 152,61 10.894,62 4.1,63 4.127,64 3.3,65 7.658}
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{0 CHEMBL119595,1 3.381,2 2.136,3 2.136,4 4.844,5 2,6 1,7 5.278,8 0.107,9 1.574,10 1,11 1,12 7.696,13 1.537,14 1.028,15 1.028,16 7.396,17 22218,18 2.029,19 19.422,20 4.368,21 8.589,22 6.753,23 6.976,24 43.915,25 1.541,26 9.447,27 4.419,28 7.327,29 46.522,30 252.592,31 46.252,32 46.231,33 46.802,34 4.027,35 132.36,36 7.639,37 0.602,38 -0.32,39 11.609,40 5.499,41 5.043,42 5.838,43 2.5,44 3.354,45 5.861,46 175,47 7.02,48 12.062,49 22.465,50 12.062,51 24.969,52 27.419,53 29.911,54 32.385,55 34.875,56 37.358,57 7.02,58 12.062,59 5.004,60 148,61 10.76,62 4.012,63 4.078,64 3.324,65 8.699}
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{0 CHEMBL120067,1 3.469,2 2.275,3 2.275,4 4.682,5 2.175,6 1.158,7 4.942,8 0.113,9 1.365,10 1,11 1,12 7.748,13 1.672,14 1.203,15 1.203,16 7.494,17 25883,18 1.638,19 17.856,20 4.459,21 8.664,22 6.806,23 7.048,24 46.373,25 1.301,26 9.456,27 4.394,28 7.369,29 50.435,30 256.574,31 48.383,32 48.348,33 48.842,34 3.928,35 142.463,36 7.682,37 0.672,38 -0.269,39 11.149,40 5.237,41 4.812,42 5.922,43 2.5,44 3.254,45 5.916,46 185,47 6.661,48 10.689,49 21.7,50 10.689,51 24.075,52 26.349,53 28.703,54 31.016,55 33.365,56 35.699,57 6.661,58 10.689,59 5.056,60 156,61 10.731,62 3.846,63 4.127,64 3.172,65 5.301}
{0 CHEMBL120085,1 3.83,2 2.751,3 2.751,4 4.984,5 2.24,6 1.226,7 5.568,8 0.098,9 1.849,10 1.068,11 1.068,12 8.15,13 1.804,14 1.278,15 1.278,16 7.716,17 39553,18 2.492,19 20.806,20 4.65,21 8.873,22 7.002,23 7.252,24 56.575,25 1.882,26 9.675,27 4.575,28 9.227,29 59.128,30 345.875,31 59.068,32 58.913,33 59.805,34 4.228,35 173.719,36 7.884,37 1.975,38 0.973,39 13.788,40 6.584,41 5.124,42 6.125,43 2.5,44 3.592,45 6.111,46 225,47 7.484,48 13.258,49 23.437,50 13.258,51 26.002,52 28.547,53 31.114,54 33.677,55 36.249,56 38.82,57 7.484,58 13.258,59 5.252,60 190,61 11.226,62 4.28,63 4.317,64 3.478,65 7.959}
{0 CHEMBL120127,1 3.015,2 0.911,3 0.911,4 4.22,5 1.863,6 0.85,7 4.466,8 0.134,9 1.109,10 0.461,11 0.461,12 7.018,13 1.245,14 0.827,15 0.827,16 7.232,17 10229,18 1.08,19 17.55,20 4.258,21 8.42,22 6.564,23 6.823,24 38.56,25 1.087,26 9.143,27 4.094,28 5.737,29 41.816,30 199.104,31 39.982,32 39.905,33 40.316,34 3.675,35 112.708,36 7.419,37 0.362,38 -0.575,39 9.906,40 4.595,41 4.263,42 5.68,43 1.655,44 3.249,45 5.7,46 149,47 6.609,48 10.43,49 21.342,50 10.43,51 23.707,52 25.968,53 28.311,54 30.61,55 32.946,56 35.263,57 6.609,58 10.43,59 4.86,60 128,61 10.416,62 3.538,63 3.892,64 3.078,65 4.42}
{0 CHEMBL120160,1 3.802,2 2.372,3 2.372,4 4.663,5 2.36,6 1.328,7 5.056,8 0.096,9 1.749,10 1,11 1,12 7.969,13 1.944,14 1.403,15 1.403,16 7.659,17 36248,18 2.41,19 18.905,20 4.625,21 8.815,22 6.938,23 7.207,24 54.524,25 1.802,26 9.535,27 4.431,28 8.526,29 58.364,30 321.496,31 56.754,32 56.604,33 57.673,34 4.114,35 165.238,36 7.796,37 1.398,38 0.44,39 13.364,40 6.247,41 4.71,42 6.08,43 2.5,44 3.441,45 6.061,46 214,47 6.972,48 11.78,49 22.572,50 11.78,51 25.013,52 27.422,53 29.861,54 32.291,55 34.734,56 37.175,57 6.972,58 11.78,59 5.22,60 184,61 11.003,62 4.074,63 4.234,64 3.281,65 6}
{0 CHEMBL120185,1 4.267,2 3.644,3 3.644,4 5.142,5 2.42,6 1.387,7 5.938,8 0.085,9 2.051,10 1.276,11 1.276,12 8.62,13 1.938,14 1.48,15 1.48,16 7.684,17 68864,18 2.5,19 19.441,20 4.629,21 8.877,22 7.036,23 7.262,24 56.956,25 1.997,26 9.73,27 4.691,28 9.74,29 60.54,30 356.872,31 60.547,32 60.354,33 60.647,34 4.268,35 175.926,36 7.926,37 1.967,38 0.965,39 14.229,40 6.845,41 5.375,42 6.125,43 2.628,44 3.708,45 6.142,46 232,47 7.022,48 12.068,49 22.547,50 12.068,51 25.036,52 27.472,53 29.954,54 32.42,55 34.903,56 37.382,57 7.022,58 12.068,59 5.273,60 194,61 10.995,62 4.291,63 4.369,64 3.33,65 7.824}
{0 CHEMBL120230,1 3.542,2 2.117,3 2.117,4 4.727,5 2.342,6 1.325,7 5.215,8 0.124,9 1.226,10 0.871,11 0.871,12 7.782,13 1.938,14 1.351,15 1.351,16 7.499,17 25663,18 1.596,19 19.503,20 4.383,21 8.699,22 6.801,23 7.047,24 43.486,25 1.228,26 9.489,27 4.431,28 7.701,29 49.283,30 253.772,31 47.204,32 46.83,33 47.333,34 4.289,35 139.634,36 7.689,37 0.473,38 -0.229,39 10.719,40 5.067,41 4.844,42 5.911,43 2.144,44 3.087,45 5.9,46 182,47 7.045,48 12.073,49 22.546,50 12.073,51 25.039,52 27.478,53 29.962,54 32.428,55 34.912,56 37.391,57 7.045,58 12.073,59 5.03,60 152,61 10.894,62 4.047,63 4.127,64 3.3,65 6.42}
{0 CHEMBL120300,1 4.041,2 3.312,3 3.312,4 4.828,5 2.346,6 1.341,7 5.252,8 0.138,9 1.229,10 1.352,11 1.352,12 7.915,13 1.947,14 1.414,15 1.414,16 7.695,17 30385,18 1.648,19 19.998,20 4.482,21 8.848,22 6.927,23 7.183,24 47.468,25 1.246,26 9.63,27 4.511,28 8.235,29 55.476,30 292.719,31 52.086,32 51.708,33 52.015,34 4.561,35 159.694,36 7.818,37 0.879,38 0.01,39 11.372,40 5.341,41 4.927,42 6.066,43 2.813,44 3.419,45 6.014,46 204,47 7.312,48 12.533,49 23.329,50 12.533,51 25.853,52 28.341,53 30.856,54 33.359,55 35.873,56 38.383,57 7.312,58 12.533,59 5.142,60 170,61 11.277,62 4.276,63 4.234,64 3.404,65 7.469}
{0 CHEMBL120316,1 3.83,2 2.751,3 2.751,4 4.984,5 2.233,6 1.217,7 5.568,8 0.098,9 1.994,10 1.068,11 1.068,12 8.15,13 1.804,14 1.278,15 1.278,16 7.716,17 39553,18 2.492,19 20.806,20 4.639,21 8.873,22 7.002,23 7.252,24 56.26,25 2.064,26 9.675,27 4.575,28 9.227,29 59.128,30 345.875,31 59.048,32 58.913,33 59.805,34 4.222,35 173.719,36 7.884,37 1.975,38 0.973,39 13.788,40 6.584,41 5.124,42 6.125,43 2.5,44 3.617,45 6.111,46 225,47 7.484,48 13.258,49 23.437,50 13.258,51 26.002,52 28.547,53 31.114,54 33.677,55 36.249,56 38.82,57 7.484,58 13.258,59 5.252,60 190,61 11.226,62 4.28,63 4.317,64 3.478,65 8.699}
{0 CHEMBL120317,1 3.414,2 2.075,3 2.075,4 4.5,5 1.959,6 0.957,7 4.745,8 0.115,9 1.432,10 0.868,11 0.868,12 7.477,13 1.5,14 1,15 1,16 7.512,17 18483,18 1.738,19 17.636,20 4.483,21 8.646,22 6.783,23 7.055,24 47.436,25 1.349,26 9.356,27 4.248,28 6.878,29 51.487,30 266.681,31 49.483,32 49.375,33 51.445,34 4.006,35 144.056,36 7.627,37 0.658,38 -0.259,39 11.574,40 5.425,41 4.575,42 5.938,43 2.5,44 3.274,45 5.905,46 183,47 6.624,48 10.511,49 21.806,50 10.511,51 24.156,52 26.431,53 28.765,54 31.068,55 33.398,56 35.715,57 6.624,58 10.511,59 5.081,60 160,61 10.767,62 3.943,63 4.043,64 3.122,65 4.268}
{0 CHEMBL120453,1 3.543,2 2.275,3 2.275,4 4.796,5 2.346,6 1.341,7 5.215,8 0.142,9 1.187,10 1,11 1,12 7.834,13 1.947,14 1.352,15 1.352,16 7.64,17 27426,18 1.648,19 19.959,20 4.478,21 8.8,22 6.884,23 7.14,24 47.013,25 1.304,26 9.579,27 4.477,28 7.904,29 52.967,30 279.087,31 50.333,32 50.063,33 50.463,34 4.422,35 153.011,36 7.772,37 0.753,38 -0.212,39 11.2,40 5.277,41 4.883,42 6.019,43 2.5,44 3.425,45 5.974,46 196,47 7.308,48 12.51,49 23.311,50 12.51,51 25.836,52 28.325,53 30.839,54 33.343,55 35.855,56 38.364,57 7.308,58 12.51,59 5.106,60 164,61 11.226,62 4.209,63 4.19,64 3.395,65 5.745}
{0 CHEMBL120663,1 4.058,2 3.301,3 3.301,4 4.86,5 2.35,6 1.344,7 5.323,8 0.136,9 1.315,10 1.216,11 1.216,12 7.956,13 1.949,14 1.357,15 1.357,16 7.77,17 31436,18 1.972,19 22.397,20 4.507,21 8.916,22 6.982,23 7.233,24 48.94,25 1.373,26 9.719,27 4.585,28 8.668,29 57.319,30 311.711,31 54.279,32 53.785,33 54.161,34 4.708,35 168.397,36 7.886,37 0.824,38 0.052,39 11.628,40 5.427,41 4.997,42 6.12,43 2.672,44 3.417,45 6.061,46 214,47 7.743,48 13.941,49 23.972,50 13.941,51 26.591,52 29.179,53 31.794,54 34.4,55 37.018,56 39.634,57 7.743,58 13.941,59 5.176,60 176,61 11.478,62 4.379,63 4.304,64 3.565,65 6.108}
{0 CHEMBL120730,1 3.542,2 2.117,3 2.117,4 4.727,5 2.339,6 1.31,7 5.215,8 0.148,9 1.156,10 0.871,11 0.871,12 7.782,13 1.938,14 1.351,15 1.351,16 7.499,17 25663,18 1.596,19 19.503,20 4.354,21 8.699,22 6.801,23 7.047,24 42.843,25 1.189,26 9.489,27 4.431,28 7.701,29 51.575,30 253.772,31 47.187,32 46.83,33 47.333,34 4.367,35 139.634,36 7.689,37 0.473,38 -0.229,39 10.719,40 5.067,41 4.844,42 5.911,43 2.144,44 3.08,45 5.9,46 182,47 7.045,48 12.073,49 22.546,50 12.073,51 25.039,52 27.478,53 29.962,54 32.428,55 34.912,56 37.391,57 7.045,58 12.073,59 5.03,60 152,61 10.894,62 4.094,63 4.127,64 3.3,65 6.328}
{0 CHEMBL120911,1 3.83,2 2.751,3 2.751,4 4.984,5 2.237,6 1.222,7 5.568,8 0.098,9 2.033,10 1.068,11 1.068,12 8.15,13 1.804,14 1.278,15 1.278,16 7.716,17 39553,18 2.492,19 20.806,20 4.65,21 8.873,22 7.002,23 7.252,24 56.57,25 2.132,26 9.675,27 4.575,28 9.227,29 59.128,30 345.875,31 59.038,32 58.913,33 59.805,34 4.215,35 173.719,36 7.884,37 1.984,38 0.982,39 13.788,40 6.584,41 5.124,42 6.125,43 2.5,44 3.623,45 6.111,46 225,47 7.484,48 13.258,49 23.437,50 13.258,51 26.002,52 28.547,53 31.114,54 33.677,55 36.249,56 38.82,57 7.484,58 13.258,59 5.252,60 190,61 11.226,62 4.268,63 4.317,64 3.478,65 8.155}
{0 CHEMBL121294,1 3.447,2 2.136,3 2.136,4 4.682,5 2.052,6 1.046,7 5.106,8 0.124,9 1.044,10 1,11 1,12 7.697,13 1.508,14 1.044,15 1.044,16 7.458,17 23373,18 1.646,19 19.503,20 4.397,21 8.663,22 6.777,23 7.02,24 44.125,25 1.114,26 9.454,27 4.407,28 7.555,29 49.245,30 251.303,31 46.771,32 46.456,33 47.119,34 4.282,35 135.798,36 7.662,37 0.492,38 -0.229,39 11.083,40 5.239,41 4.812,42 5.878,43 2.5,44 3.251,45 5.883,46 179,47 7.045,48 12.073,49 22.536,50 12.073,51 25.031,52 27.471,53 29.956,54 32.424,55 34.908,56 37.388,57 7.045,58 12.073,59 5.017,60 150,61 10.858,62 4.026,63 4.111,64 3.3,65 5.071}
{0 CHEMBL121317,1 3.539,2 2.136,3 2.136,4 4.727,5 2.179,6 1.174,7 5.182,8 0.146,9 1.129,10 1,11 1,12 7.746,13 1.763,14 1.187,15 1.187,16 7.593,17 24477,18 1.648,19 19.957,20 4.431,21 8.76,22 6.847,23 7.099,24 45.432,25 1.218,26 9.543,27 4.454,28 7.742,29 51.133,30 267.085,31 48.798,32 48.487,33 48.853,34 4.388,35 146.834,36 7.735,37 0.504,38 -0.229,39 11.113,40 5.239,41 4.868,42 5.974,43 2.5,44 3.416,45 5.938,46 189,47 7.308,48 12.508,49 23.31,50 12.508,51 25.834,52 28.324,53 30.838,54 33.342,55 35.854,56 38.363,57 7.308,58 12.508,59 5.069,60 158,61 11.204,62 4.145,63 4.159,64 3.393,65 7.276}
{0 CHEMBL121405,1 3.621,2 2.687,3 2.687,4 4.913,5 2.182,6 1.17,7 5.489,8 0.106,9 1.735,10 1.04,11 1.04,12 7.986,13 1.5,14 1.218,15 1.218,16 7.606,17 31936,18 2.279,19 20.795,20 4.57,21 8.778,22 6.913,23 7.159,24 52.151,25 1.686,26 9.585,27 4.511,28 8.482,29 54.175,30 307.89,31 54.154,32 53.991,33 54.535,34 4.127,35 157.246,36 7.794,37 1.758,38 0.764,39 13.045,40 6.247,41 5.075,42 6.023,43 2.424,44 3.561,45 6.023,46 206,47 7.483,48 13.252,49 23.419,50 13.252,51 25.988,52 28.536,53 31.104,54 33.669,55 36.241,56 38.813,57 7.483,58 13.252,59 5.165,60 174,61 11.146,62 4.179,63 4.234,64 3.474,65 7.824}
{0 CHEMBL121512,1 3.414,2 2.075,3 2.075,4 4.5,5 1.959,6 0.957,7 4.745,8 0.112,9 1.486,10 0.868,11 0.868,12 7.477,13 1.5,14 1,15 1,16 7.512,17 18483,18 1.738,19 17.636,20 4.49,21 8.646,22 6.783,23 7.055,24 47.594,25 1.384,26 9.356,27 4.248,28 6.878,29 51.564,30 266.681,31 49.449,32 49.375,33 51.445,34 4.001,35 144.056,36 7.627,37 0.658,38 -0.259,39 11.574,40 5.425,41 4.575,42 5.938,43 2.5,44 3.277,45 5.905,46 183,47 6.624,48 10.511,49 21.806,50 10.511,51 24.156,52 26.431,53 28.765,54 31.068,55 33.398,56 35.715,57 6.624,58 10.511,59 5.081,60 160,61 10.767,62 3.939,63 4.043,64 3.122,65 5.097}
{0 CHEMBL122061,1 3.643,2 2.842,3 2.842,4 5.1,5 2.438,6 1.405,7 5.649,8 0.088,9 1.876,10 1.272,11 1.272,12 8.738,13 2.1,14 1.496,15 1.496,16 7.642,17 89990,18 2.525,19 19.422,20 4.625,21 8.863,22 6.999,23 7.225,24 55.604,25 1.925,26 9.711,27 4.691,28 10.017,29 57.585,30 333.445,31 57.51,32 57.467,33 58.057,34 4.188,35 167.591,36 7.895,37 1.876,38 0.877,39 13.738,40 6.582,41 5.298,42 6.075,43 2.696,44 3.517,45 6.098,46 222,47 7.02,48 12.062,49 22.655,50 12.062,51 25.138,52 27.566,53 30.039,54 32.496,55 34.97,56 37.44,57 7.02,58 12.062,59 5.22,60 184,61 11.032,62 4.172,63 4.344,64 3.324,65 8.097}
{0 CHEMBL123469,1 4.057,2 3.183,3 3.183,4 4.796,5 2.347,6 1.342,7 5.273,8 0.139,9 1.141,10 1.16,11 1.16,12 7.915,13 1.947,14 1.353,15 1.353,16 7.695,17 30385,18 1.648,19 20.655,20 4.487,21 8.852,22 6.932,23 7.183,24 47.582,25 1.256,26 9.641,27 4.543,28 8.453,29 55.159,30 294.373,31 52.071,32 51.692,33 52.02,34 4.576,35 159.762,36 7.824,37 0.898,38 0.01,39 11.425,40 5.382,41 4.927,42 6.066,43 2.66,44 3.417,45 6.014,46 204,47 7.404,48 12.902,49 23.478,50 12.902,51 26.026,52 28.538,53 31.077,54 33.605,55 36.144,56 38.679,57 7.404,58 12.902,59 5.142,60 170,61 11.31,62 4.235,63 4.234,64 3.443,65 6.244}
{0 CHEMBL139991,1 4.618,2 4.893,3 4.893,4 5.037,5 2.839,6 1.794,7 5.421,8 0.08,9 2.298,10 1.798,11 1.798,12 8.597,13 2.046,14 1.879,15 1.879,16 7.848,17 79498,18 2.669,19 19.07,20 4.798,21 8.998,22 7.138,23 7.387,24 65.374,25 2.441,26 9.775,27 4.7,28 10.012,29 69.401,30 412.108,31 67.98,32 67.971,33 69.077,34 4.351,35 200.621,36 8.004,37 2,38 1,39 15.736,40 7.543,41 5.1,42 6.267,43 2.879,44 3.593,45 6.244,46 257,47 7.139,48 11.836,49 22.793,50 11.836,51 25.244,52 27.645,53 30.087,54 32.512,55 34.954,56 37.391,57 7.139,58 11.836,59 5.398,60 220,61 11.221,62 4.319,63 4.419,64 3.366,65 8.824}
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{0 CHEMBL143134,1 3.952,2 3.269,3 3.269,4 4.977,5 2.498,6 1.459,7 5.366,8 0.084,9 1.98,10 1.327,11 1.327,12 8.452,13 2.109,14 1.557,15 1.557,16 7.772,17 65902,18 2.524,19 19.07,20 4.758,21 8.929,22 7.074,23 7.323,24 62.89,25 2.129,26 9.711,27 4.635,28 9.739,29 65.886,30 385.073,31 64.618,32 64.651,33 65.59,34 4.284,35 187.972,36 7.942,37 1.984,38 0.983,39 15.44,40 7.396,41 5.075,42 6.196,43 2.783,44 3.593,45 6.188,46 243,47 7.139,48 11.836,49 22.783,50 11.836,51 25.235,52 27.64,53 30.083,54 32.509,55 34.951,56 37.389,57 7.139,58 11.836,59 5.342,60 208,61 11.162,62 4.255,63 4.369,64 3.366,65 10}
{0 CHEMBL143141,1 4.433,2 4.127,3 4.127,4 5.075,5 2.794,6 1.783,7 5.455,8 0.077,9 2.275,10 1.61,11 1.61,12 8.724,13 2.453,14 1.799,15 1.799,16 7.886,17 93850,18 2.669,19 19.07,20 4.838,21 9.036,22 7.175,23 7.422,24 67.89,25 2.425,26 9.82,27 4.736,28 10.667,29 72.323,30 436.737,31 70.206,32 70.365,33 71.023,34 4.397,35 207.036,36 8.048,37 2,38 1,39 16.734,40 7.784,41 5.153,42 6.301,43 2.919,44 3.593,45 6.286,46 268,47 7.139,48 11.836,49 22.834,50 11.836,51 25.278,52 27.674,53 30.111,54 32.531,55 34.97,56 37.404,57 7.139,58 11.836,59 5.434,60 228,61 11.277,62 4.347,63 4.477,64 3.366,65 8.456}
{0 CHEMBL143207,1 3.952,2 3.269,3 3.269,4 4.977,5 2.407,6 1.32,7 5.366,8 0.098,9 2.061,10 1.327,11 1.327,12 8.452,13 1.922,14 1.557,15 1.557,16 7.772,17 65902,18 2.5,19 19.07,20 4.73,21 8.929,22 7.074,23 7.323,24 61.856,25 2.257,26 9.711,27 4.635,28 9.739,29 68.732,30 385.073,31 64.602,32 64.651,33 65.312,34 4.319,35 187.972,36 7.942,37 1.938,38 0.935,39 15.44,40 7.396,41 5.075,42 6.196,43 2.669,44 3.593,45 6.188,46 243,47 7.139,48 11.836,49 22.783,50 11.836,51 25.235,52 27.64,53 30.083,54 32.509,55 34.951,56 37.389,57 7.139,58 11.836,59 5.342,60 208,61 11.162,62 4.299,63 4.369,64 3.366,65 8.229}
{0 CHEMBL143373,1 3.973,2 3.269,3 3.269,4 5.004,5 2.444,6 1.373,7 5.438,8 0.082,9 2.009,10 1.328,11 1.328,12 8.526,13 1.922,14 1.557,15 1.557,16 7.788,17 72455,18 2.5,19 19.07,20 4.733,21 8.945,22 7.093,23 7.34,24 62.626,25 2.172,26 9.729,27 4.654,28 9.849,29 67.649,30 397.345,31 65.827,32 65.917,33 66.483,34 4.327,35 191.039,36 7.961,37 1.952,38 0.946,39 15.938,40 7.535,41 5.112,42 6.213,43 2.669,44 3.589,45 6.209,46 248,47 7.139,48 11.836,49 22.786,50 11.836,51 25.237,52 27.641,53 30.083,54 32.51,55 34.952,56 37.39,57 7.139,58 11.836,59 5.361,60 212,61 11.175,62 4.299,63 4.394,64 3.366,65 9.06}
{0 CHEMBL143886,1 4.618,2 4.893,3 4.893,4 5.037,5 2.839,6 1.794,7 5.421,8 0.08,9 2.298,10 1.798,11 1.798,12 8.597,13 2.046,14 1.879,15 1.879,16 7.848,17 79498,18 2.669,19 19.07,20 4.798,21 8.998,22 7.138,23 7.387,24 65.374,25 2.441,26 9.775,27 4.7,28 10.012,29 69.401,30 412.108,31 67.98,32 67.971,33 69.077,34 4.351,35 200.621,36 8.004,37 2,38 1,39 15.736,40 7.543,41 5.1,42 6.267,43 2.879,44 3.593,45 6.244,46 257,47 7.139,48 11.836,49 22.793,50 11.836,51 25.244,52 27.645,53 30.087,54 32.512,55 34.954,56 37.391,57 7.139,58 11.836,59 5.398,60 220,61 11.221,62 4.319,63 4.419,64 3.366,65 10.018}
{0 CHEMBL192848,1 3.406,2 2.136,3 2.136,4 4.754,5 2,6 1,7 5.257,8 0.157,9 1.458,10 0.899,11 0.899,12 7.727,13 1.474,14 1,15 1,16 7.6,17 23253,18 2.012,19 22.432,20 4.418,21 8.714,22 6.825,23 7.055,24 44.612,25 1.43,26 9.577,27 4.454,28 6.908,29 47.142,30 247.664,31 46.685,32 46.675,33 47.129,34 4.025,35 144.504,36 7.735,37 0.348,38 -0.605,39 10.223,40 4.786,41 4.942,42 5.953,43 2.376,44 3.355,45 5.905,46 183,47 7.765,48 14.107,49 23.937,50 14.107,51 26.571,52 29.183,53 31.817,54 34.447,55 37.085,56 39.723,57 7.765,58 14.107,59 5.017,60 150,61 11.342,62 3.877,63 4.159,64 3.591,65 6.71}
{0 CHEMBL192889,1 4.217,2 3.105,3 3.105,4 5.142,5 2.564,6 1.441,7 5.894,8 0.121,9 1.827,10 1.292,11 1.292,12 8.406,13 2.271,14 1.61,15 1.61,16 7.869,17 50053,18 2.5,19 22.432,20 4.661,21 8.995,22 7.101,23 7.33,24 56.833,25 1.72,26 9.865,27 4.745,28 9.257,29 62.029,30 364.499,31 60.93,32 60.527,33 61.288,34 4.424,35 188.85,36 8.013,37 1.74,38 0.75,39 13.111,40 6.161,41 5.371,42 6.225,43 2.769,44 3.647,45 6.176,46 240,47 7.765,48 14.107,49 24.027,50 14.107,51 26.647,52 29.244,53 31.868,54 34.488,55 37.118,56 39.75,57 7.765,58 14.107,59 5.283,60 196,61 11.564,62 4.365,63 4.431,64 3.591,65 7.41}
{0 CHEMBL199319,1 3.891,2 2.824,3 2.824,4 4.82,5 2.353,6 1.322,7 5.389,8 0.094,9 1.652,10 1.11,11 1.11,12 8.113,13 1.945,14 1.398,15 1.398,16 7.527,17 40241,18 2.065,19 18.689,20 4.492,21 8.703,22 6.862,23 7.099,24 49.233,25 1.692,26 9.506,27 4.454,28 7.779,29 52.895,30 290.442,31 52.227,32 52.141,33 52.631,34 4.086,35 150.115,36 7.733,37 1.232,38 0.289,39 12.63,40 5.949,41 4.97,42 5.969,43 2.548,44 3.381,45 5.979,46 197,47 6.816,48 11.29,49 22.024,50 11.29,51 24.451,52 26.803,53 29.216,54 31.602,55 34.015,56 36.418,57 6.816,58 11.29,59 5.13,60 168,61 10.777,62 4.047,63 4.174,64 3.222,65 7.959}
{0 CHEMBL199322,1 3.955,2 3.324,3 3.324,4 4.949,5 2.433,6 1.404,7 5.565,8 0.097,9 1.766,10 1.397,11 1.397,12 8.473,13 1.945,14 1.469,15 1.469,16 7.653,17 63570,18 2.132,19 18.716,20 4.601,21 8.839,22 6.978,23 7.216,24 54.637,25 1.751,26 9.649,27 4.595,28 8.966,29 59.283,30 329.099,31 57.5,32 57.396,33 57.805,34 4.194,35 167.716,36 7.863,37 1.586,38 0.591,39 13.534,40 6.348,41 5.13,42 6.08,43 2.702,44 3.398,45 6.089,46 220,47 6.821,48 11.307,49 22.202,50 11.307,51 24.619,52 26.956,53 29.358,54 31.731,55 34.134,56 36.526,57 6.821,58 11.307,59 5.22,60 184,61 10.962,62 4.16,63 4.317,64 3.232,65 6.553}
{0 CHEMBL199595,1 3.891,2 2.82,3 2.82,4 4.82,5 2.353,6 1.322,7 5.371,8 0.096,9 1.632,10 1.055,11 1.055,12 8.113,13 1.945,14 1.398,15 1.398,16 7.618,17 39835,18 1.937,19 18.689,20 4.537,21 8.76,22 6.897,23 7.148,24 50.239,25 1.667,26 9.542,27 4.454,28 7.935,29 53.902,30 293.9,31 53.121,32 53.041,33 53.603,34 4.115,35 158.25,36 7.764,37 1.226,38 0.285,39 12.061,40 5.677,41 4.984,42 6.033,43 2.548,44 3.354,45 5.999,46 201,47 6.816,48 11.29,49 22.256,50 11.29,51 24.659,52 27.001,53 29.395,54 31.767,55 34.164,56 36.553,57 6.816,58 11.29,59 5.153,60 172,61 10.96,62 4.062,63 4.174,64 3.223,65 7.328}
{0 CHEMBL199699,1 3.891,2 2.82,3 2.82,4 4.82,5 2.348,6 1.318,7 5.371,8 0.106,9 1.627,10 1.055,11 1.055,12 8.113,13 1.945,14 1.398,15 1.398,16 7.618,17 39835,18 2.071,19 18.689,20 4.543,21 8.76,22 6.897,23 7.148,24 50.394,25 1.544,26 9.542,27 4.454,28 7.935,29 53.967,30 293.9,31 53.083,32 53.041,33 54.95,34 4.1,35 158.25,36 7.764,37 1.225,38 0.284,39 12.061,40 5.677,41 4.984,42 6.033,43 2.816,44 3.379,45 5.999,46 201,47 6.816,48 11.29,49 22.256,50 11.29,51 24.659,52 27.001,53 29.395,54 31.767,55 34.164,56 36.553,57 6.816,58 11.29,59 5.153,60 172,61 10.96,62 4.05,63 4.174,64 3.223,65 8}
{0 CHEMBL199853,1 3.76,2 2.745,3 2.745,4 4.796,5 2.27,6 1.243,7 5.293,8 0.112,9 1.311,10 1.054,11 1.054,12 7.909,13 1.79,14 1.28,15 1.28,16 7.507,17 30280,18 1.712,19 18.7,20 4.448,21 8.678,22 6.815,23 7.054,24 46.255,25 1.359,26 9.489,27 4.419,28 7.403,29 50.051,30 260.981,31 48.586,32 48.504,33 48.96,34 3.992,35 143.265,36 7.699,37 0.609,38 -0.297,39 11.175,40 5.205,41 4.934,42 5.927,43 2.548,44 3.337,45 5.922,46 186,47 6.819,48 11.299,49 22.061,50 11.299,51 24.483,52 26.831,53 29.242,54 31.625,55 34.036,56 36.438,57 6.819,58 11.299,59 5.056,60 156,61 10.811,62 3.959,63 4.143,64 3.227,65 6.699}
{0 CHEMBL199936,1 3.891,2 2.82,3 2.82,4 4.82,5 2.348,6 1.318,7 5.371,8 0.094,9 1.706,10 1.055,11 1.055,12 8.113,13 1.945,14 1.398,15 1.398,16 7.618,17 39835,18 1.937,19 18.689,20 4.543,21 8.76,22 6.897,23 7.148,24 50.394,25 1.703,26 9.542,27 4.454,28 7.935,29 54.007,30 293.9,31 53.083,32 53.041,33 53.603,34 4.114,35 158.25,36 7.764,37 1.225,38 0.284,39 12.061,40 5.677,41 4.984,42 6.033,43 2.548,44 3.385,45 5.999,46 201,47 6.816,48 11.29,49 22.256,50 11.29,51 24.659,52 27.001,53 29.395,54 31.767,55 34.164,56 36.553,57 6.816,58 11.29,59 5.153,60 172,61 10.96,62 4.066,63 4.174,64 3.223,65 7.538}
{0 CHEMBL199937,1 3.891,2 2.82,3 2.82,4 4.82,5 2.353,6 1.322,7 5.371,8 0.109,9 1.541,10 1.055,11 1.055,12 8.113,13 1.945,14 1.398,15 1.398,16 7.618,17 39835,18 2.071,19 18.689,20 4.537,21 8.76,22 6.897,23 7.148,24 50.239,25 1.511,26 9.542,27 4.454,28 7.935,29 53.886,30 293.9,31 53.121,32 53.041,33 54.95,34 4.102,35 158.25,36 7.764,37 1.226,38 0.285,39 12.061,40 5.677,41 4.984,42 6.033,43 2.816,44 3.346,45 5.999,46 201,47 6.816,48 11.29,49 22.256,50 11.29,51 24.659,52 27.001,53 29.395,54 31.767,55 34.164,56 36.553,57 6.816,58 11.29,59 5.153,60 172,61 10.96,62 4.046,63 4.174,64 3.223,65 7.721}
{0 CHEMBL199986,1 3.891,2 2.824,3 2.824,4 4.82,5 2.353,6 1.322,7 5.389,8 0.094,9 1.515,10 1.11,11 1.11,12 8.113,13 1.945,14 1.398,15 1.398,16 7.527,17 40241,18 2.072,19 18.689,20 4.492,21 8.703,22 6.862,23 7.099,24 49.233,25 1.519,26 9.506,27 4.454,28 7.779,29 53.777,30 290.442,31 52.227,32 52.141,33 53.565,34 4.067,35 150.115,36 7.733,37 1.232,38 0.289,39 12.63,40 5.949,41 4.97,42 5.969,43 2.816,44 3.354,45 5.979,46 197,47 6.816,48 11.29,49 22.024,50 11.29,51 24.451,52 26.803,53 29.216,54 31.602,55 34.015,56 36.418,57 6.816,58 11.29,59 5.13,60 168,61 10.777,62 4.028,63 4.174,64 3.222,65 9.222}
{0 CHEMBL199993,1 4.127,2 3.65,3 3.65,4 4.913,5 2.422,6 1.394,7 5.517,8 0.082,9 1.66,10 1.398,11 1.398,12 8.598,13 2.107,14 1.471,15 1.471,16 7.649,17 78872,18 2.548,19 18.689,20 4.618,21 8.84,22 6.995,23 7.236,24 56.205,25 1.794,26 9.628,27 4.585,28 9.219,29 61.051,30 342.791,31 59.744,32 59.619,33 60.847,34 4.149,35 171.24,36 7.865,37 1.589,38 0.608,39 14.369,40 6.783,41 5.05,42 6.098,43 2.925,44 3.449,45 6.116,46 226,47 6.816,48 11.29,49 22.038,50 11.29,51 24.461,52 26.809,53 29.22,54 31.605,55 34.017,56 36.419,57 6.816,58 11.29,59 5.263,60 192,61 10.86,62 4.11,63 4.317,64 3.222,65 9.046}
{0 CHEMBL200017,1 3.891,2 3.153,3 3.153,4 4.883,5 2.361,6 1.324,7 5.509,8 0.086,9 1.799,10 1.398,11 1.398,12 8.473,13 1.945,14 1.471,15 1.471,16 7.593,17 65781,18 2.077,19 18.689,20 4.575,21 8.791,22 6.946,23 7.185,24 53.75,25 1.819,26 9.588,27 4.554,28 8.863,29 57.863,30 321.693,31 56.85,32 56.787,33 56.927,34 4.133,35 162.563,36 7.82,37 1.57,38 0.58,39 13.796,40 6.52,41 5.043,42 6.043,43 2.548,44 3.406,45 6.066,46 215,47 6.816,48 11.29,49 22.034,50 11.29,51 24.458,52 26.807,53 29.219,54 31.604,55 34.016,56 36.419,57 6.816,58 11.29,59 5.209,60 182,61 10.827,62 4.111,63 4.277,64 3.222,65 7.027}
{0 CHEMBL200040,1 4.124,2 3.624,3 3.624,4 4.942,5 2.435,6 1.398,7 5.549,8 0.092,9 1.753,10 1.398,11 1.398,12 8.517,13 1.945,14 1.471,15 1.471,16 7.651,17 68555,18 2.405,19 18.705,20 4.621,21 8.839,22 6.987,23 7.226,24 55.69,25 1.763,26 9.641,27 4.595,28 9.08,29 60.642,30 337.97,31 58.574,32 58.523,33 58.946,34 4.212,35 169.467,36 7.865,37 1.594,38 0.603,39 13.99,40 6.596,41 5.106,42 6.089,43 2.815,44 3.415,45 6.103,46 223,47 6.819,48 11.301,49 22.101,50 11.301,51 24.519,52 26.86,53 29.267,54 31.646,55 34.054,56 36.453,57 6.819,58 11.301,59 5.242,60 188,61 10.912,62 4.205,63 4.317,64 3.228,65 9.155}
{0 CHEMBL200120,1 3.891,2 2.82,3 2.82,4 4.82,5 2.355,6 1.324,7 5.371,8 0.094,9 1.754,10 1.055,11 1.055,12 8.113,13 1.945,14 1.398,15 1.398,16 7.618,17 39835,18 1.937,19 18.689,20 4.553,21 8.76,22 6.897,23 7.148,24 50.678,25 1.751,26 9.542,27 4.454,28 7.935,29 54.007,30 293.9,31 53.105,32 53.041,33 53.603,34 4.103,35 158.25,36 7.764,37 1.227,38 0.285,39 12.061,40 5.677,41 4.984,42 6.033,43 2.548,44 3.395,45 5.999,46 201,47 6.816,48 11.29,49 22.256,50 11.29,51 24.659,52 27.001,53 29.395,54 31.767,55 34.164,56 36.553,57 6.816,58 11.29,59 5.153,60 172,61 10.96,62 4.054,63 4.174,64 3.223,65 7.481}
{0 CHEMBL200820,1 3.891,2 2.82,3 2.82,4 4.82,5 2.355,6 1.324,7 5.371,8 0.106,9 1.66,10 1.055,11 1.055,12 8.113,13 1.945,14 1.398,15 1.398,16 7.618,17 39835,18 2.071,19 18.689,20 4.553,21 8.76,22 6.897,23 7.148,24 50.678,25 1.573,26 9.542,27 4.454,28 7.935,29 53.967,30 293.9,31 53.105,32 53.041,33 54.95,34 4.089,35 158.25,36 7.764,37 1.227,38 0.285,39 12.061,40 5.677,41 4.984,42 6.033,43 2.816,44 3.389,45 5.999,46 201,47 6.816,48 11.29,49 22.256,50 11.29,51 24.659,52 27.001,53 29.395,54 31.767,55 34.164,56 36.553,57 6.816,58 11.29,59 5.153,60 172,61 10.96,62 4.038,63 4.174,64 3.223,65 7.699}
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{0 CHEMBL271059,1 3.847,2 2.524,3 2.524,4 4.868,5 2.25,6 1.239,7 5.398,8 0.147,9 1.687,10 1,11 1,12 7.89,13 1.5,14 1.266,15 1.266,16 7.69,17 27986,18 2.02,19 22.432,20 4.493,21 8.796,22 6.905,23 7.138,24 47.551,25 1.559,26 9.66,27 4.522,28 7.653,29 51.002,30 273.831,31 50.134,32 50.046,33 50.665,34 4.122,35 157.413,36 7.814,37 0.638,38 -0.292,39 10.501,40 4.95,41 5.043,42 6.043,43 2.5,44 3.374,45 5.979,46 197,47 7.765,48 14.107,49 23.947,50 14.107,51 26.58,52 29.19,53 31.824,54 34.453,55 37.09,56 39.727,57 7.765,58 14.107,59 5.094,60 162,61 11.39,62 4.034,63 4.22,64 3.591,65 6.648}
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{0 CHEMBL271505,1 4.006,2 3.028,3 3.028,4 4.97,5 2.183,6 1.16,7 5.493,8 0.108,9 1.895,10 1.076,11 1.076,12 7.905,13 1.785,14 1.262,15 1.262,16 7.663,17 28043,18 2.079,19 19.369,20 4.524,21 8.773,22 6.903,23 7.14,24 48.717,25 1.781,26 9.623,27 4.5,28 7.567,29 52.086,30 284.183,31 51.225,32 51.198,33 52.231,34 4.092,35 158.595,36 7.796,37 0.706,38 -0.223,39 10.956,40 5.232,41 5.106,42 6.043,43 2.501,44 3.52,45 5.984,46 198,47 7.152,48 11.962,49 22.89,50 11.962,51 25.352,52 27.765,53 30.217,54 32.652,55 35.103,56 37.55,57 7.152,58 11.962,59 5.118,60 166,61 11.173,62 4.143,63 4.19,64 3.39,65 7.379}
{0 CHEMBL272108,1 4.217,2 3.105,3 3.105,4 5.142,5 2.549,6 1.503,7 5.894,8 0.121,9 1.981,10 1.292,11 1.292,12 8.406,13 2.271,14 1.61,15 1.61,16 7.869,17 50053,18 2.5,19 22.432,20 4.673,21 8.995,22 7.101,23 7.33,24 57.373,25 2.005,26 9.865,27 4.745,28 9.257,29 61.951,30 364.499,31 60.699,32 60.527,33 61.288,34 4.353,35 188.85,36 8.013,37 1.74,38 0.75,39 13.111,40 6.161,41 5.371,42 6.225,43 2.769,44 3.648,45 6.176,46 240,47 7.765,48 14.107,49 24.027,50 14.107,51 26.647,52 29.244,53 31.868,54 34.488,55 37.118,56 39.75,57 7.765,58 14.107,59 5.283,60 196,61 11.564,62 4.298,63 4.431,64 3.591,65 6.526}
{0 CHEMBL272142,1 4.217,2 3.105,3 3.105,4 5.142,5 2.564,6 1.529,7 5.894,8 0.121,9 1.916,10 1.292,11 1.292,12 8.406,13 2.271,14 1.61,15 1.61,16 7.869,17 50053,18 2.5,19 22.432,20 4.672,21 8.995,22 7.101,23 7.33,24 57.259,25 1.888,26 9.865,27 4.745,28 9.257,29 61.986,30 364.499,31 60.818,32 60.527,33 61.288,34 4.388,35 188.85,36 8.013,37 1.74,38 0.75,39 13.111,40 6.161,41 5.371,42 6.225,43 2.769,44 3.647,45 6.176,46 240,47 7.765,48 14.107,49 24.027,50 14.107,51 26.647,52 29.244,53 31.868,54 34.488,55 37.118,56 39.75,57 7.765,58 14.107,59 5.283,60 196,61 11.564,62 4.33,63 4.431,64 3.591,65 7.128}
{0 CHEMBL272535,1 3.46,2 2.358,3 2.358,4 4.89,5 2.097,6 1.083,7 5.509,8 0.106,9 1.295,10 1,11 1,12 7.834,13 1.693,14 1.153,15 1.153,16 7.507,17 25003,18 2.277,19 18.527,20 4.458,21 8.69,22 6.838,23 7.059,24 46.726,25 1.469,26 9.548,27 4.511,28 7.519,29 49.568,30 264.815,31 48.789,32 48.668,33 49.349,34 3.933,35 143.745,36 7.735,37 0.81,38 -0.065,39 11.355,40 5.395,41 5.112,42 5.927,43 2.5,44 3.308,45 5.938,46 189,47 6.826,48 11.321,49 22.323,50 11.321,51 24.748,52 27.104,53 29.511,54 31.893,55 34.297,56 36.692,57 6.826,58 11.321,59 5.056,60 156,61 10.903,62 3.934,63 4.19,64 3.254,65 6.116}
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{0 CHEMBL274201,1 4.134,2 3.368,3 3.368,4 5.094,5 2.415,6 1.394,7 5.829,8 0.09,9 1.842,10 1.235,11 1.235,12 8.34,13 2.106,14 1.452,15 1.452,16 7.769,17 46933,18 2.5,19 18.559,20 4.631,21 8.904,22 7.038,23 7.272,24 54.683,25 1.617,26 9.747,27 4.663,28 8.934,29 59.961,30 343.567,31 58.701,32 58.359,33 59.581,34 4.315,35 178.993,36 7.926,37 1.571,38 0.597,39 12.745,40 6.082,41 5.318,42 6.163,43 2.706,44 3.648,45 6.12,46 227,47 6.83,48 11.339,49 22.682,50 11.339,51 25.099,52 27.452,53 29.852,54 32.228,55 34.623,56 37.011,57 6.83,58 11.339,59 5.252,60 190,61 11.219,62 4.298,63 4.331,64 3.271,65 7.638}
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{0 CHEMBL402399,1 4.476,2 3.972,3 3.972,4 5.176,5 2.579,6 1.441,7 5.948,8 0.118,9 1.919,10 1.4,11 1.4,12 8.474,13 2.312,14 1.631,15 1.631,16 7.904,17 54110,18 2.509,19 22.432,20 4.687,21 9.026,22 7.13,23 7.362,24 58.03,25 1.764,26 9.891,27 4.762,28 9.487,29 63.953,30 378.355,31 62.54,32 62.098,33 62.934,34 4.442,35 195.006,36 8.041,37 1.8,38 0.806,39 13.197,40 6.198,41 5.398,42 6.26,43 2.864,44 3.652,45 6.205,46 247,47 7.765,48 14.107,49 24.027,50 14.107,51 26.647,52 29.244,53 31.868,54 34.488,55 37.119,56 39.75,57 7.765,58 14.107,59 5.313,60 202,61 11.58,62 4.406,63 4.454,64 3.591,65 7.561}
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{0 CHEMBL409698,1 3.914,2 3.049,3 3.049,4 5.056,5 2.303,6 1.289,7 5.768,8 0.092,9 1.838,10 1.226,11 1.226,12 8.27,13 1.952,14 1.339,15 1.339,16 7.728,17 43340,18 2.5,19 18.556,20 4.615,21 8.868,22 7.006,23 7.236,24 53.912,25 1.742,26 9.716,27 4.644,28 8.705,29 57.969,30 330.076,31 56.985,32 56.788,33 57.966,34 4.253,35 172.837,36 7.895,37 1.568,38 0.595,39 12.659,40 6.045,41 5.288,42 6.125,43 2.7,44 3.644,45 6.089,46 220,47 6.83,48 11.338,49 22.68,50 11.338,51 25.097,52 27.451,53 29.85,54 32.227,55 34.622,56 37.01,57 6.83,58 11.338,59 5.22,60 184,61 11.197,62 4.213,63 4.304,64 3.27,65 7.409}
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{0 CHEMBL415712,1 3.485,2 2.48,3 2.48,4 4.836,5 2.118,6 1.104,7 5.429,8 0.095,9 1.805,10 1,11 1,12 7.946,13 1.5,14 1.178,15 1.178,16 7.459,17 30837,18 2.135,19 18.282,20 4.483,21 8.67,22 6.843,23 7.079,24 49.744,25 1.754,26 9.481,27 4.466,28 8.262,29 52.516,30 290.723,31 52.243,32 52.125,33 52.457,34 4.074,35 146.232,36 7.714,37 1.711,38 0.727,39 13.054,40 6.307,41 5.024,42 5.927,43 2.423,44 3.576,45 5.969,46 195,47 6.75,48 11.097,49 21.831,50 11.097,51 24.245,52 26.582,53 28.982,54 31.355,55 33.753,56 36.142,57 6.75,58 11.097,59 5.118,60 166,61 10.667,62 4.114,63 4.174,64 3.208,65 8.301}
{0 CHEMBL415714,1 3.256,2 2.136,3 2.136,4 4.949,5 2,6 1,7 5.366,8 0.123,9 1.725,10 1,11 1,12 7.662,13 1.464,14 1,15 1,16 7.482,17 19663,18 1.799,19 19.544,20 4.397,21 8.69,22 6.799,23 7.031,24 44.424,25 1.759,26 9.532,27 4.477,28 7.802,29 48.54,30 262.137,31 46.584,32 46.6,33 47.213,34 4.175,35 137.223,36 7.701,37 0.693,38 -0.226,39 11.294,40 5.266,41 5.182,42 5.889,43 2.237,44 3.373,45 5.894,46 181,47 6.995,48 11.919,49 22.59,50 11.919,51 25.064,52 27.472,53 29.932,54 32.369,55 34.829,56 37.281,57 6.995,58 11.919,59 5.017,60 150,61 10.957,62 4.121,63 4.143,64 3.334,65 4.854}
{0 CHEMBL419069,1 3.414,2 2.211,3 2.211,4 4.804,5 2,6 1,7 5.293,8 0.116,9 1.501,10 1,11 1,12 7.491,13 1.5,14 1,15 1,16 7.513,17 15569,18 1.781,19 19.05,20 4.406,21 8.68,22 6.806,23 7.041,24 44.404,25 1.64,26 9.517,27 4.431,28 7.375,29 49.047,30 258.595,31 47.359,32 47.191,33 47.869,34 4.103,35 140.898,36 7.702,37 0.708,38 -0.186,39 10.8,40 5.126,41 4.99,42 5.916,43 2.5,44 3.002,45 5.905,46 183,47 6.925,48 11.579,49 22.463,50 11.579,51 24.927,52 27.311,53 29.754,54 32.165,55 34.6,56 37.023,57 6.925,58 11.579,59 5.03,60 152,61 10.928,62 3.962,63 4.143,64 3.295,65 4}
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{0 CHEMBL423196,1 3.814,2 3.268,3 3.268,4 4.934,5 2.444,6 1.373,7 5.318,8 0.086,9 2.128,10 1.323,11 1.323,12 8.373,13 1.716,14 1.492,15 1.492,16 7.731,17 59707,18 2.47,19 19.07,20 4.701,21 8.894,22 7.043,23 7.29,24 60.561,25 2.248,26 9.679,27 4.615,28 9.509,29 64.464,30 371.556,31 63.063,32 63.075,33 63.478,34 4.296,35 181.805,36 7.911,37 1.952,38 0.946,39 15.354,40 7.359,41 5.037,42 6.159,43 2.615,44 3.591,45 6.159,46 236,47 7.139,48 11.836,49 22.781,50 11.836,51 25.234,52 27.639,53 30.082,54 32.508,55 34.951,56 37.389,57 7.139,58 11.836,59 5.313,60 202,61 11.138,62 4.261,63 4.344,64 3.366,65 7.638}
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{0 CHEMBL429422,1 3.902,2 3.026,3 3.026,4 5.03,5 2.302,6 1.288,7 5.73,8 0.095,9 1.606,10 1.218,11 1.218,12 8.196,13 1.941,14 1.337,15 1.337,16 7.637,17 39505,18 2.5,19 18.549,20 4.541,21 8.806,22 6.957,23 7.177,24 51.518,25 1.482,26 9.673,27 4.625,28 8.561,29 55.948,30 315.706,31 55.176,32 54.822,33 55.723,34 4.244,35 162.659,36 7.854,37 1.556,38 0.582,39 12.709,40 6.051,41 5.257,42 6.052,43 2.683,44 3.612,45 6.052,46 212,47 6.829,48 11.334,49 22.493,50 11.334,51 24.92,52 27.276,53 29.683,54 32.063,55 34.464,56 36.855,57 6.829,58 11.334,59 5.176,60 176,61 11.043,62 4.214,63 4.29,64 3.262,65 7.189}
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{0 CHEMBL434409,1 4.039,2 3.315,3 3.315,4 5.088,5 2.461,6 1.432,7 5.677,8 0.106,9 1.515,10 1.414,11 1.414,12 8.322,13 2.055,14 1.506,15 1.506,16 7.694,17 49600,18 2.331,19 19.694,20 4.542,21 8.877,22 6.991,23 7.217,24 50.873,25 1.352,26 9.739,27 4.673,28 9.226,29 57.326,30 323.77,31 55.403,32 54.839,33 55.735,34 4.473,35 166.49,36 7.899,37 1.108,38 0.146,39 12.404,40 5.858,41 5.268,42 6.089,43 2.873,44 3.342,45 6.075,46 217,47 7.053,48 12.173,49 22.941,50 12.173,51 25.434,52 27.87,53 30.349,54 32.81,55 35.288,56 37.76,57 7.053,58 12.173,59 5.187,60 178,61 11.185,62 4.426,63 4.331,64 3.348,65 7.377}
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{0 CHEMBL63442,1 3.414,2 2.211,3 2.211,4 4.804,5 2,6 1,7 5.293,8 0.116,9 1.628,10 1,11 1,12 7.491,13 1.5,14 1,15 1,16 7.513,17 15569,18 1.781,19 19.05,20 4.392,21 8.68,22 6.806,23 7.041,24 44.092,25 1.868,26 9.517,27 4.431,28 7.375,29 49.047,30 258.595,31 47.342,32 47.191,33 47.869,34 4.094,35 140.898,36 7.702,37 0.698,38 -0.184,39 10.8,40 5.126,41 4.99,42 5.916,43 2.5,44 3.002,45 5.905,46 183,47 6.925,48 11.579,49 22.463,50 11.579,51 24.927,52 27.311,53 29.754,54 32.165,55 34.6,56 37.023,57 6.925,58 11.579,59 5.03,60 152,61 10.928,62 3.97,63 4.143,64 3.295,65 7.046}
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{0 CHEMBL66601,1 3.257,2 1.722,3 1.722,4 4.736,5 1.859,6 0.86,7 5.118,8 0.121,9 1.312,10 0.651,11 0.651,12 7.308,13 1.321,14 0.907,15 0.907,16 7.448,17 12314,18 1.781,19 19.05,20 4.351,21 8.602,22 6.746,23 6.967,24 42.042,25 1.453,26 9.468,27 4.394,28 6.533,29 45.446,30 234.739,31 44.351,32 44.242,33 44.928,34 4.003,35 131.982,36 7.647,37 0.347,38 -0.503,39 10.214,40 4.839,41 4.92,42 5.849,43 2.146,44 3.15,45 5.844,46 172,47 6.925,48 11.579,49 22.461,50 11.579,51 24.926,52 27.31,53 29.753,54 32.164,55 34.6,56 37.023,57 6.925,58 11.579,59 4.963,60 142,61 10.896,62 3.851,63 4.094,64 3.295,65 6.174}
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