@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL290

@attribute molecule_id {CHEMBL128017,CHEMBL128263,CHEMBL128338,CHEMBL128391,CHEMBL128456,CHEMBL128485,CHEMBL128619,CHEMBL128621,CHEMBL128783,CHEMBL128877,CHEMBL129255,CHEMBL129283,CHEMBL129407,CHEMBL129600,CHEMBL129668,CHEMBL129689,CHEMBL129691,CHEMBL129692,CHEMBL130026,CHEMBL130081,CHEMBL131111,CHEMBL131118,CHEMBL131355,CHEMBL131672,CHEMBL131939,CHEMBL1650673,CHEMBL1650676,CHEMBL1650866,CHEMBL1683806,CHEMBL17423,CHEMBL1821774,CHEMBL1821775,CHEMBL1821787,CHEMBL1821789,CHEMBL1821790,CHEMBL1821791,CHEMBL189,CHEMBL1916475,CHEMBL19224,CHEMBL2096844,CHEMBL218855,CHEMBL218955,CHEMBL219123,CHEMBL219445,CHEMBL219451,CHEMBL220185,CHEMBL2313234,CHEMBL252387,CHEMBL259295,CHEMBL260006,CHEMBL261711,CHEMBL262088,CHEMBL263641,CHEMBL263642,CHEMBL273816,CHEMBL338179,CHEMBL338381,CHEMBL338860,CHEMBL339210,CHEMBL340118,CHEMBL340785,CHEMBL341160,CHEMBL341231,CHEMBL341327,CHEMBL341354,CHEMBL34431,CHEMBL374993,CHEMBL375200,CHEMBL385754,CHEMBL387166,CHEMBL387167,CHEMBL408977,CHEMBL408978,CHEMBL409484,CHEMBL409613,CHEMBL409651,CHEMBL409862,CHEMBL410834,CHEMBL421249,CHEMBL427777,CHEMBL428445,CHEMBL429686,CHEMBL430071,CHEMBL441704,CHEMBL466068,CHEMBL466280,CHEMBL466481,CHEMBL549560,CHEMBL551052,CHEMBL564209,CHEMBL567470,CHEMBL589984,CHEMBL591059,CHEMBL591114,CHEMBL591501,CHEMBL591997,CHEMBL592057,CHEMBL592059,CHEMBL592241,CHEMBL592242,CHEMBL592243,CHEMBL601295,CHEMBL603613,CHEMBL779}
@attribute CATS2D_01_DA numeric
@attribute nC.N.N. numeric
@attribute NNRS numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute C.039 numeric
@attribute MATS1v numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_04_DL numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_LL numeric
@attribute C.019 numeric
@attribute C.038 numeric
@attribute CATS2D_06_DL numeric
@attribute Eig12_AEA.bo. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax3_Bh.v. numeric
@attribute NdsN numeric
@attribute Eig02_AEA.dm. numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_02_LL numeric
@attribute C.030 numeric
@attribute Eig04_EA.ri. numeric
@attribute SpMax4_Bh.e. numeric
@attribute nPyrrolidines numeric
@attribute CATS2D_07_DL numeric
@attribute SpMin4_Bh.s. numeric
@attribute SdssC numeric
@attribute SpMin4_Bh.m. numeric
@attribute SM05_EA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute SM09_EA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute SM13_EA.dm. numeric
@attribute SM15_EA.dm. numeric
@attribute SpMax3_Bh.s. numeric
@attribute MATS5p numeric
@attribute C.006 numeric
@attribute H.050 numeric
@attribute Hy numeric
@attribute nHDon numeric
@attribute GATS1p numeric
@attribute N.071 numeric
@attribute nArNR2 numeric
@attribute NRS numeric
@attribute CATS2D_07_AA numeric
@attribute GATS5v numeric
@attribute MATS5v numeric
@attribute Eig02_AEA.ri. numeric
@attribute CATS2D_02_AL numeric
@attribute Eta_betaS_A numeric
@attribute CATS2D_01_LL numeric
@attribute Eig11_AEA.ri. numeric
@attribute N.074 numeric
@attribute C.002 numeric
@attribute CATS2D_06_AA numeric
@attribute pXC50 numeric

@data
{1 1,2 1,3 1,5 1,7 1,8 0.047,9 5,10 6,11 3.595,12 1.211,13 1.179,14 3,15 9,16 8,19 1,20 1.442,21 3.105,22 3.137,23 3.602,24 1,25 3.636,26 1,27 12,29 2.379,30 3.331,32 2,33 0.543,34 -0.292,35 1.467,36 6.713,37 9.395,38 12.076,39 14.758,40 17.441,41 20.124,42 7.999,43 0.032,45 2,46 0.304,47 2,48 0.968,51 3,53 1.035,54 -0.109,55 4.008,56 4,57 0.62,58 12,59 2,60 1,61 1,63 8.301}
{0 CHEMBL128263,1 1,2 1,3 1,5 1,7 1,8 0.053,9 10,10 4,11 3.721,12 1.65,13 1.609,14 4,15 13,16 13,17 1,18 1,19 3,20 2.484,21 3.609,22 3.617,23 3.724,24 1,25 3.698,26 1,27 15,29 2.518,30 3.736,32 2,33 1.002,34 1.509,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.43,43 0.002,45 2,46 0.193,47 2,48 0.977,51 4,53 0.961,54 0.045,55 4.038,56 5,57 0.613,58 12,59 2.151,60 1,61 4,63 8.509}
{0 CHEMBL128338,1 1,2 1,3 1,5 1,7 1,8 0.047,9 12,10 6,11 3.73,12 1.695,13 1.65,14 4,15 15,16 15,17 1,18 1,19 3,20 2.5,21 3.586,22 3.591,23 3.735,24 1,25 3.697,26 1,27 16,29 2.495,30 3.725,32 2,33 1.04,34 2.496,35 1.879,36 4.694,37 6.657,38 8.601,39 10.537,40 12.467,41 14.394,42 7.425,43 0.034,45 2,46 0.208,47 2,48 0.959,51 4,53 1.019,54 -0.007,55 3.999,56 7,57 0.617,58 14,59 2.21,60 1,61 5,63 8.26}
{0 CHEMBL128391,1 1,2 1,3 1,5 1,7 1,8 0.055,9 13,10 5,11 3.712,12 1.686,13 1.643,14 3,15 15,16 13,17 1,18 1,19 3,20 2.466,21 3.582,22 3.589,23 3.71,24 2,25 3.455,27 16,29 2.433,30 3.718,32 3,33 1.015,34 2.369,35 1.857,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 6.466,43 0.005,45 2,46 0.177,47 2,48 0.972,51 4,53 0.981,54 -0.006,55 3.993,56 6,57 0.608,58 15,59 2.212,60 2,61 5,62 1,63 9.585}
{0 CHEMBL128456,1 1,2 1,3 1,5 1,7 1,8 0.053,9 14,10 6,11 3.717,12 1.694,13 1.649,14 4,15 16,16 16,17 1,18 1,19 3,20 2.467,21 3.586,22 3.59,23 3.715,24 1,25 3.636,26 1,27 18,29 2.44,30 3.721,32 3,33 1.04,34 3.001,35 1.879,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.846,43 0.018,45 2,46 0.16,47 2,48 0.977,51 4,53 0.993,54 -0.013,55 3.999,56 5,57 0.603,58 16,59 2,60 1,61 5,63 9.721}
{0 CHEMBL128485,1 1,2 1,3 1,5 1,7 1,8 0.053,9 12,10 4,11 3.721,12 1.65,13 1.609,14 4,15 14,16 14,17 1,18 1,19 3,20 2.467,21 3.609,22 3.617,23 3.721,24 1,25 3.698,26 1,27 17,29 2.453,30 3.735,32 3,33 1.002,34 1.867,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.425,43 0.003,45 2,46 0.177,47 2,48 0.977,51 4,53 0.952,54 0.037,55 4.037,56 5,57 0.608,58 14,59 2.15,60 1,61 4,63 8.602}
{0 CHEMBL128619,1 1,2 1,3 1,5 1,7 1,8 0.053,9 14,10 5,11 3.721,12 1.651,13 1.61,14 4,15 16,16 16,17 1,18 1,19 3,20 2.467,21 3.609,22 3.615,23 3.721,24 1,25 3.698,26 1,27 18,29 2.449,30 3.73,32 3,33 1.011,34 2.763,35 1.859,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 4.853,43 0.006,45 2,46 0.16,47 2,48 0.977,51 4,53 0.979,54 0.019,55 4.035,56 5,57 0.603,58 16,59 2,60 1,61 4,63 8}
{0 CHEMBL128621,1 1,2 1,3 1,5 1,7 1,8 0.048,9 14,10 6,11 3.73,12 1.694,13 1.649,14 4,15 16,16 17,17 1,18 1,19 2,20 2.468,21 3.586,22 3.591,23 3.724,24 1,25 3.636,26 1,27 18,29 2.462,30 3.721,32 4,33 1.04,34 2.951,35 1.878,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.845,43 -0.045,45 2,46 0.177,47 2,48 0.82,51 4,53 1.031,54 -0.062,55 3.999,56 5,57 0.6,58 14,59 2.165,60 1,61 5,63 9.523}
{0 CHEMBL128783,1 1,2 1,3 1,5 1,7 1,8 0.05,9 14,10 6,11 3.717,12 1.692,13 1.65,14 5,15 15,16 16,17 1,18 1,19 3,20 2.467,21 3.59,22 3.594,23 3.716,24 1,25 3.644,26 1,27 19,29 2.446,30 3.724,32 3,33 1.037,34 2.718,35 1.861,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.963,43 0.013,45 2,46 0.177,47 2,48 0.904,51 4,53 0.994,54 -0.014,55 4.024,56 5,57 0.608,58 14,59 2.161,60 1,61 5,63 8.319}
{0 CHEMBL128877,1 1,2 1,3 1,5 1,7 1,8 0.051,9 12,10 4,11 3.734,12 1.65,13 1.609,14 4,15 14,16 14,17 1,18 1,19 3,20 2.619,21 3.609,22 3.618,23 3.737,24 1,25 4.058,26 1,27 17,29 2.638,30 3.737,32 3,33 1.002,34 1.574,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.425,43 -0.031,45 2,46 0.177,47 2,48 0.951,51 4,53 0.994,54 -0.001,55 4.041,56 6,57 0.609,58 14,59 2.204,60 2,61 4,63 8.495}
{0 CHEMBL129255,1 1,2 1,3 1,5 1,7 1,8 0.036,9 12,10 6,11 3.718,12 1.694,13 1.65,14 4,15 15,16 15,17 1,18 1,19 3,20 2.487,21 3.586,22 3.591,23 3.719,24 1,25 3.636,26 1,27 16,29 2.486,30 3.722,32 2,33 1.04,34 2.9,35 1.878,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.877,43 0.008,45 2,46 0.161,47 2,48 1.045,51 4,53 1.009,54 -0.009,55 3.999,56 7,57 0.613,58 14,59 2,60 1,61 5,63 9.155}
{0 CHEMBL129283,1 1,2 1,3 1,5 1,7 1,8 0.054,9 11,10 3,11 3.73,12 1.645,13 1.605,14 3,15 13,16 11,17 1,18 1,19 3,20 2.619,21 3.605,22 3.615,23 3.733,24 2,25 4.058,27 15,29 2.627,30 3.734,32 2,33 0.98,34 0.913,35 1.835,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.429,43 -0.047,45 2,46 0.192,47 2,48 0.945,51 4,53 0.979,54 0.011,55 4.056,56 7,57 0.614,58 14,59 2.241,60 3,61 4,62 1,63 9.481}
{0 CHEMBL129407,1 1,2 1,3 1,5 1,7 1,8 0.053,9 11,10 4,11 3.721,12 1.65,13 1.609,14 4,15 12,16 13,17 1,18 1,19 2,20 2.468,21 3.609,22 3.617,23 3.724,24 1,25 3.698,26 1,27 15,29 2.542,30 3.736,32 3,33 1.002,34 1.402,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.43,43 0.006,45 2,46 0.193,47 2,48 0.977,51 4,53 0.974,54 0.017,55 4.04,56 5,57 0.613,58 12,59 2.177,60 1,61 4,63 8.252}
{0 CHEMBL129600,1 1,2 1,3 1,5 1,7 1,8 0.048,9 11,10 4,11 3.733,12 1.65,13 1.609,14 4,15 12,16 13,17 1,18 1,19 2,20 2.59,21 3.609,22 3.618,23 3.74,24 1,25 3.781,26 1,27 15,29 2.716,30 3.74,32 3,33 1.002,34 1.229,35 1.852,36 4.721,37 6.689,38 8.627,39 10.556,40 12.48,41 14.402,42 7.43,43 -0.02,45 2,46 0.222,47 2,48 0.959,51 4,52 1,53 0.994,54 0.013,55 4.043,56 7,57 0.621,58 12,59 2.29,60 1,61 4,63 8.347}
{0 CHEMBL129668,1 1,2 1,3 1,5 1,7 1,8 0.049,9 12,10 4,11 3.731,12 1.65,13 1.609,14 2,15 14,16 19,17 1,18 1,19 5,20 2.487,21 3.609,22 3.617,23 3.731,24 1,25 3.709,26 1,27 16,29 2.63,30 3.736,32 3,33 1.002,34 1.445,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.425,43 0.039,45 2,46 0.208,47 2,48 0.841,51 4,53 0.92,54 0.061,55 4.074,56 5,57 0.617,58 10,59 2.333,60 1,61 4,63 9.886}
{0 CHEMBL129689,1 1,2 1,3 1,5 1,7 1,8 0.051,9 16,10 6,11 3.721,12 1.656,13 1.615,14 5,15 17,16 18,17 1,18 1,19 3,20 2.467,21 3.62,22 3.627,23 3.721,24 1,25 3.698,26 1,27 20,29 2.453,30 3.744,32 3,33 1.046,34 2.791,35 1.867,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 4.846,43 0.021,45 2,46 0.144,47 2,48 0.998,51 4,53 0.969,54 0.016,55 4.038,56 5,57 0.6,58 17,59 2.154,60 1,61 4,63 8.319}
{0 CHEMBL129691,1 1,2 1,3 1,5 1,7 1,8 -0.002,10 5,11 3.311,12 1.159,13 1.116,14 2,15 6,16 6,19 1,20 0.678,21 3.024,22 3.05,23 3.328,24 1,25 3.635,26 1,27 6,29 1.994,30 3.262,32 2,33 0.543,34 0.296,35 1.467,36 4.006,37 5.61,38 7.174,39 8.724,40 10.269,41 11.815,42 4.832,43 -0.052,44 1,45 2,46 0.41,47 2,48 1.18,51 2,53 1.097,54 -0.156,55 3.586,56 4,57 0.625,58 6,59 0.52,60 1,61 1,63 8.071}
{0 CHEMBL129692,1 1,2 1,3 1,5 1,7 1,8 0.025,9 8,10 5,11 3.596,12 1.289,13 1.266,14 4,15 9,16 6,19 3,20 1.439,21 3.157,22 3.209,23 3.605,24 1,25 3.635,26 1,27 12,29 2.287,30 3.446,32 3,33 0.615,34 0.251,35 1.488,36 4.006,37 5.628,38 7.213,39 8.783,40 10.349,41 11.915,42 4.838,43 -0.05,44 1,45 2,46 0.273,47 2,48 1.031,51 3,53 1.004,54 -0.058,55 3.603,56 4,57 0.62,58 12,59 1.497,60 1,61 1,63 9}
{0 CHEMBL130026,1 1,2 1,3 1,5 1,7 1,8 0.053,9 11,10 5,11 3.717,12 1.687,13 1.646,14 3,15 14,16 11,17 1,18 1,19 3,20 2.468,21 3.585,22 3.594,23 3.715,24 1,25 3.646,26 1,27 15,29 2.449,30 3.731,32 3,33 1.013,34 1.307,35 1.844,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 7.43,43 0.015,45 2,46 0.193,47 2,48 0.977,51 4,53 0.956,54 0.013,55 4.025,56 5,57 0.613,58 13,59 2.25,60 1,61 5,63 9.208}
{0 CHEMBL130081,1 1,2 1,3 1,5 1,7 1,8 0.051,9 12,10 4,11 3.727,12 1.65,13 1.609,14 3,15 15,16 16,17 1,18 1,19 4,20 2.468,21 3.609,22 3.617,23 3.726,24 1,25 3.702,26 1,27 16,29 2.553,30 3.735,32 3,33 1.002,34 1.656,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.425,43 0.022,45 2,46 0.193,47 2,48 0.904,51 4,53 0.934,54 0.049,55 4.051,56 5,57 0.613,58 12,59 2.301,60 1,61 4,63 9.276}
{0 CHEMBL131111,1 1,2 1,3 1,5 1,7 1,8 0.036,9 13,10 6,11 3.717,12 1.694,13 1.649,14 3,15 14,16 16,17 1,18 1,19 3,20 2.468,21 3.586,22 3.59,23 3.718,24 1,25 3.636,26 1,27 15,29 2.49,30 3.721,32 3,33 1.04,34 2.83,35 1.878,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.874,43 -0.036,45 2,46 0.161,47 2,48 1.045,51 4,53 1.053,54 -0.059,55 4.002,56 7,57 0.613,58 14,59 2.214,60 1,61 5,62 1,63 9.886}
{0 CHEMBL131118,1 1,2 1,3 1,5 1,7 1,8 0.049,9 18,10 7,11 3.718,12 1.71,13 1.664,14 6,15 19,16 19,17 1,18 1,19 4,20 2.467,21 3.598,22 3.604,23 3.716,24 1,25 3.641,26 1,27 21,29 2.452,30 3.739,32 3,33 1.136,34 3.066,35 1.908,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.833,43 -0.025,45 2,46 0.129,47 2,48 1.017,51 4,53 1.028,54 -0.053,55 4.026,56 5,57 0.597,58 18,59 2.176,60 1,61 6,63 7.678}
{0 CHEMBL131355,1 1,2 1,3 1,5 1,7 1,8 0.045,9 14,10 6,11 3.767,12 1.694,13 1.65,14 4,15 16,16 17,17 1,18 1,19 2,20 2.468,21 3.588,22 3.591,23 3.727,24 1,25 3.636,26 1,27 18,29 2.447,30 3.721,32 4,33 1.04,34 3.001,35 1.878,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.845,43 -0.062,45 2,46 0.177,47 2,48 0.633,51 4,53 1.029,54 -0.072,55 3.999,56 5,57 0.6,58 14,59 2.16,60 1,61 5,63 9.959}
{0 CHEMBL131672,1 1,2 1,3 1,5 1,7 1,8 0.053,9 11,10 4,11 3.721,12 1.65,13 1.609,14 3,15 12,16 14,17 1,18 1,19 3,20 2.468,21 3.609,22 3.617,23 3.723,24 1,25 3.702,26 1,27 14,29 2.633,30 3.736,32 3,33 1.002,34 1.237,35 1.852,36 3.123,37 4.612,38 6.055,39 7.47,40 8.866,41 10.252,42 7.43,43 0.002,45 2,46 0.193,47 2,48 0.977,51 4,53 0.952,54 0.044,55 4.053,56 5,57 0.613,58 12,59 2.312,60 1,61 4,63 8.959}
{0 CHEMBL131939,1 1,2 1,3 1,5 1,7 1,8 0.053,9 16,10 5,11 3.712,12 1.706,13 1.661,14 4,15 18,16 17,17 1,18 1,19 5,20 2.466,21 3.598,22 3.602,23 3.71,24 2,25 3.446,27 19,29 2.434,30 3.729,32 4,33 1.092,34 3.231,35 1.895,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 4.876,43 -0.006,45 2,46 0.144,47 2,48 0.993,51 4,53 1.013,54 -0.028,55 3.993,56 7,57 0.6,58 17,59 2.212,60 2,61 5,62 1,63 9.215}
{0 CHEMBL1650673,3 0.4,4 3,5 1.273,6 0.273,8 0.018,9 4,10 2,11 3.64,12 1.577,13 1.512,14 3,15 9,16 9,20 2.091,21 3.353,22 3.352,23 3.665,25 3.594,27 13,29 2.245,30 3.492,32 2,33 0.993,34 -0.434,35 1.806,36 3.689,37 5.114,38 6.531,39 7.949,40 9.369,41 10.793,42 5.03,43 0.068,44 1,45 1,46 -0.323,47 1,48 0.837,51 2,53 0.904,54 0.014,55 4.087,56 3,57 0.679,58 8,59 2.032,61 1,63 4.301}
{0 CHEMBL1650676,3 0.4,4 3,5 1.273,6 0.273,8 0.018,9 4,10 2,11 3.64,12 1.577,13 1.512,14 3,15 9,16 9,20 2.091,21 3.353,22 3.352,23 3.665,25 3.594,27 13,29 2.245,30 3.492,32 2,33 0.993,34 -0.434,35 1.806,36 3.689,37 5.114,38 6.531,39 7.949,40 9.369,41 10.793,42 5.03,43 0.068,44 1,45 1,46 -0.323,47 1,48 0.837,51 2,53 0.904,54 0.014,55 4.087,56 3,57 0.679,58 8,59 2.032,61 1,63 4.301}
{0 CHEMBL1650866,3 0.4,4 3,5 1.261,6 0.261,8 0.018,9 7,10 2,11 3.649,12 1.567,13 1.506,14 3,15 9,16 9,20 2.266,21 3.381,22 3.379,23 3.67,25 3.635,27 13,29 2.307,30 3.518,32 1,33 0.988,34 -0.088,35 1.789,36 3.941,37 5.419,38 6.864,39 8.292,40 9.712,41 11.131,42 5.03,43 0.08,44 2,45 1,46 -0.336,47 1,48 0.861,51 2,53 0.881,54 0.063,55 4.029,56 3,57 0.672,58 8,59 2.058,61 1,63 4.301}
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{0 CHEMBL338179,1 1,2 1,3 1,5 1,7 1,8 0.053,9 12,10 5,11 3.717,12 1.692,13 1.648,14 4,15 14,16 14,17 1,18 1,19 3,20 2.467,21 3.586,22 3.592,23 3.715,24 1,25 3.644,26 1,27 17,29 2.449,30 3.726,32 3,33 1.028,34 2.147,35 1.866,36 2.98,37 4.33,38 5.648,39 6.944,40 8.228,41 9.506,42 7.425,43 0.018,45 2,46 0.177,47 2,48 0.977,51 4,53 0.983,54 -0.013,55 4.025,56 5,57 0.608,58 14,59 2.164,60 1,61 5,63 9.62}
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{0 CHEMBL591997,3 0.75,4 1,5 1.091,6 0.091,8 0.032,9 5,10 1,11 3.704,12 1.521,13 1.49,15 8,16 7,20 2.189,21 3.428,22 3.434,23 3.703,25 3.679,27 13,29 2.42,30 3.554,32 2,33 0.825,34 -0.131,35 1.711,36 4.127,37 5.894,38 7.627,39 9.343,40 11.051,41 12.755,42 7.426,43 0.043,44 3,45 2,46 0.193,47 2,48 1.053,51 3,52 2,53 0.984,54 -0.018,55 3.988,56 9,57 0.637,58 13,59 2.009,61 2,62 2,63 5.893}
{0 CHEMBL592057,3 0.75,4 1,5 1.095,6 0.095,8 0.018,9 5,10 1,11 3.643,12 1.525,13 1.493,15 8,16 7,20 1.844,21 3.428,22 3.433,23 3.639,25 3.53,27 12,29 2.309,30 3.551,31 1,32 1,33 0.965,34 0.908,35 1.714,36 0.653,37 1.001,38 1.37,39 1.754,40 2.143,41 2.535,42 4.878,43 -0.09,44 3,45 1,46 -0.382,47 1,48 1.055,51 3,52 1,53 1.082,54 -0.13,55 3.977,56 8,57 0.639,58 12,59 1.603,61 2,62 2,63 5.921}
{0 CHEMBL592059,3 0.75,4 1,5 1.091,6 0.091,8 -0.009,9 3,11 3.602,12 1.458,13 1.434,15 7,16 4,20 2,21 3.368,22 3.382,23 3.613,25 3.497,27 10,29 2.294,30 3.52,32 1,33 0.825,34 -0.049,35 1.606,36 0.801,37 1.074,38 1.404,39 1.768,40 2.15,41 2.538,42 4.881,43 0.13,44 5,45 1,46 -0.358,47 1,48 1.121,51 3,52 1,53 0.849,54 0.142,55 3.939,56 6,57 0.661,58 10,59 1.82,62 2,63 5.246}
{0 CHEMBL592241,3 0.75,4 1,5 1.091,6 0.091,8 0.033,9 5,10 1,11 3.658,12 1.52,13 1.49,15 8,16 7,19 1,20 2,21 3.428,22 3.433,23 3.657,25 3.53,27 13,29 2.321,30 3.553,32 3,33 0.825,34 0.769,35 1.711,36 0.653,37 1.001,38 1.37,39 1.754,40 2.143,41 2.535,42 6.449,43 0.002,44 3,45 2,46 0.194,47 2,48 1.056,51 3,52 1,53 0.976,54 0.001,55 3.979,56 8,57 0.638,58 11,59 1.984,61 2,62 2,63 6.041}
{0 CHEMBL592242,3 0.75,4 1,5 1.091,6 0.091,8 0.018,9 5,10 1,11 3.66,12 1.52,13 1.49,15 8,16 7,20 2,21 3.428,22 3.433,23 3.652,25 3.53,27 13,29 2.308,30 3.552,32 1,33 0.825,34 0.916,35 1.711,36 0.653,37 1.001,38 1.37,39 1.754,40 2.143,41 2.535,42 4.879,43 -0.031,44 3,45 1,46 -0.394,47 1,48 1.073,51 3,52 1,53 1.006,54 -0.045,55 3.973,56 8,57 0.634,58 13,59 1.984,61 3,62 2,63 5.762}
{0 CHEMBL592243,3 0.75,4 1,5 1.091,6 0.091,8 0.018,9 6,10 1,11 3.706,12 1.521,13 1.49,15 8,16 7,20 2,21 3.428,22 3.434,23 3.697,25 3.53,27 15,29 2.338,30 3.554,32 1,33 0.825,34 0.912,35 1.711,36 0.653,37 1.001,38 1.37,39 1.754,40 2.143,41 2.535,42 4.879,43 0.073,44 3,45 1,46 -0.405,47 1,48 1.09,51 3,52 1,53 0.894,54 0.065,55 3.979,56 8,57 0.629,58 14,59 1.984,61 2,62 2,63 5.793}
{0 CHEMBL601295,3 0.75,4 1,5 1.091,6 0.091,8 0.007,9 5,10 1,11 3.622,12 1.521,13 1.49,15 8,16 5,20 2.037,21 3.428,22 3.433,23 3.633,25 3.53,27 12,29 2.322,30 3.555,32 1,33 0.939,34 0.807,35 1.711,36 0.801,37 1.074,38 1.404,39 1.768,40 2.15,41 2.538,42 6.456,43 0.021,44 7,45 2,46 0.193,47 2,48 1.134,51 3,52 1,53 0.959,54 0.016,55 3.979,56 6,57 0.653,58 11,59 2.009,62 2,63 5.553}
{0 CHEMBL603613,3 0.75,4 1,5 1.091,6 0.091,8 0.002,9 5,10 1,11 3.536,12 1.52,13 1.489,15 8,16 5,20 2,21 3.426,22 3.431,23 3.554,25 3.53,27 12,29 2.306,30 3.551,32 1,33 0.825,34 0.818,35 1.71,36 0.653,37 1.001,38 1.37,39 1.754,40 2.143,41 2.535,42 4.879,43 -0.02,44 5,45 1,46 -0.358,47 1,48 1.107,51 3,52 1,53 1.011,54 -0.036,55 3.972,56 6,57 0.652,58 11,59 1.952,62 2,63 5.812}
{0 CHEMBL779,3 0.333,4 4,5 1.308,6 0.308,8 0.009,10 3,11 3.637,12 1.511,13 1.459,14 1,15 7,16 7,20 2.195,21 3.343,22 3.352,23 3.662,25 3.611,27 8,29 2.551,30 3.497,33 0.889,34 -0.074,35 1.704,36 3.941,37 5.419,38 6.864,39 8.292,40 9.712,41 11.131,42 5.018,43 0.029,44 1,45 1,46 -0.336,47 1,48 1.051,51 2,52 1,53 0.966,54 0.014,55 4.022,56 4,57 0.707,58 9,59 2.145,61 1,62 1,63 4.301}