@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2304405

@attribute molecule_id {CHEMBL100264,CHEMBL110219,CHEMBL118328,CHEMBL121271,CHEMBL121571,CHEMBL126294,CHEMBL126776,CHEMBL128175,CHEMBL128521,CHEMBL128854,CHEMBL129301,CHEMBL150346,CHEMBL151990,CHEMBL152011,CHEMBL152055,CHEMBL152239,CHEMBL153042,CHEMBL16192,CHEMBL216897,CHEMBL217365,CHEMBL217406,CHEMBL235363,CHEMBL262647,CHEMBL262731,CHEMBL263743,CHEMBL263985,CHEMBL263997,CHEMBL266526,CHEMBL267409,CHEMBL268563,CHEMBL292766,CHEMBL295301,CHEMBL296014,CHEMBL297327,CHEMBL306072,CHEMBL307433,CHEMBL308148,CHEMBL311405,CHEMBL318254,CHEMBL32248,CHEMBL327457,CHEMBL327531,CHEMBL32940,CHEMBL329888,CHEMBL330810,CHEMBL331480,CHEMBL332311,CHEMBL332820,CHEMBL332872,CHEMBL333027,CHEMBL333515,CHEMBL334186,CHEMBL334721,CHEMBL336849,CHEMBL337970,CHEMBL339591,CHEMBL339615,CHEMBL339941,CHEMBL340743,CHEMBL340847,CHEMBL340880,CHEMBL341015,CHEMBL341065,CHEMBL345711,CHEMBL346154,CHEMBL346626,CHEMBL346633,CHEMBL356912,CHEMBL357717,CHEMBL358033,CHEMBL36402,CHEMBL384610,CHEMBL385603,CHEMBL385914,CHEMBL387199,CHEMBL406487,CHEMBL407328,CHEMBL408661,CHEMBL409334,CHEMBL412189,CHEMBL412621,CHEMBL412830,CHEMBL412982,CHEMBL413272,CHEMBL413730,CHEMBL415113,CHEMBL419500,CHEMBL421062,CHEMBL421071,CHEMBL427606,CHEMBL429340,CHEMBL433191,CHEMBL433192,CHEMBL437797,CHEMBL438716,CHEMBL439287,CHEMBL441181,CHEMBL444832,CHEMBL449091,CHEMBL449347,CHEMBL45340,CHEMBL47146,CHEMBL72602,CHEMBL97204,CHEMBL97520,CHEMBL97958,CHEMBL98760,CHEMBL98929,CHEMBL98977}
@attribute GATS7e numeric
@attribute CATS2D_06_AL numeric
@attribute IC2 numeric
@attribute JGI6 numeric
@attribute PW4 numeric
@attribute SpMax2_Bh.s. numeric
@attribute SsssCH numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.v. numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_v_2 numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute P_VSA_MR_5 numeric
@attribute CATS2D_09_DL numeric
@attribute LLS_01 numeric
@attribute P_VSA_s_3 numeric
@attribute SAacc numeric
@attribute CATS2D_02_DL numeric
@attribute PW5 numeric
@attribute MATS7p numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_LL numeric
@attribute GATS7v numeric
@attribute O. numeric
@attribute SM05_EA.bo. numeric
@attribute X2A numeric
@attribute CIC5 numeric
@attribute Eig06_EA.bo. numeric
@attribute SM03_EA.bo. numeric
@attribute GATS7p numeric
@attribute ATSC7e numeric
@attribute GGI6 numeric
@attribute SIC5 numeric
@attribute CATS2D_08_DL numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute P_VSA_s_6 numeric
@attribute MATS2e numeric
@attribute MATS5p numeric
@attribute SM02_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute Eig05_EA.bo. numeric
@attribute GGI1 numeric
@attribute GNar numeric
@attribute HNar numeric
@attribute nHet numeric
@attribute nN numeric
@attribute SM15_AEA.ri. numeric
@attribute X0A numeric
@attribute Hy numeric
@attribute Eig01_AEA.dm. numeric
@attribute SM03_EA.dm. numeric
@attribute SM05_EA.dm. numeric
@attribute pXC50 numeric

@data
{1 0.631,2 5,3 4.138,4 0.012,5 0.183,6 4.931,8 1.988,9 2.137,10 2.122,11 44.571,12 65.706,13 65.706,14 50.28,15 50.28,16 35.45,18 0.5,19 28.598,20 65.706,21 3,22 0.11,23 -0.137,24 4,25 6,26 7,27 1.147,28 2.4,29 7.702,30 0.283,31 0.683,32 2.218,33 4.62,34 1.097,35 0.251,36 0.386,37 0.873,39 4.626,40 4.675,41 4.675,42 83.72,43 -0.023,44 0.211,45 1.324,46 0.958,47 0.736,48 0.57,49 0.439,50 0.334,51 0.252,52 2.599,53 4,54 2.187,55 2.118,56 6,57 4,58 2.599,59 0.681,60 -0.301,61 3.243,62 0.325,63 0.268,64 4.53}
{0 CHEMBL110219,1 1.007,2 7,3 4.68,4 0.019,5 0.176,6 7.425,7 -0.003,8 1.939,9 2.089,10 2.087,11 59.699,12 77.674,13 77.674,14 55.89,15 55.89,16 64.843,17 4,18 0.33,19 52.147,20 77.674,21 2,22 0.1,23 -0.087,24 5,25 8,26 11,27 1.076,28 2.5,29 7.816,30 0.288,31 0.779,32 2.831,33 5.007,34 1.074,35 0.752,36 1.193,37 0.876,38 4,39 5.379,40 5.525,41 5.525,42 128.587,43 0.015,44 -0.064,45 2.601,46 3.291,47 4.369,48 5.614,49 6.929,50 8.275,51 9.635,52 3.114,53 9,54 2.075,55 1.937,56 8,57 4,58 3.114,59 0.706,60 -0.424,61 3.809,62 1.803,63 3.267,64 6.5}
{0 CHEMBL118328,1 1.7,2 6,3 4.332,4 0.018,5 0.171,6 7.426,7 -1.564,8 1.919,9 2.032,10 2.039,11 59.699,12 150.881,13 150.881,14 114,15 114,16 105.66,17 3,18 0.17,19 25.567,20 134.095,21 5,22 0.096,23 0.065,24 2,25 2,26 4,27 0.9,28 4.2,29 7.685,30 0.295,31 0.333,32 2.318,33 4.649,34 0.854,35 0.413,36 0.581,37 0.94,38 5,39 4.968,40 5.252,41 5.252,42 116.084,43 0.132,44 -0.081,45 2.629,46 3.67,47 4.863,48 6.12,49 7.411,50 8.722,51 10.045,52 2.7,53 5,54 2.037,55 1.902,56 6,57 4,58 2.7,59 0.712,60 3.392,61 3.786,62 2.179,63 3.761,64 5.284}
{0 CHEMBL121271,1 1.438,2 14,3 4.958,4 0.015,5 0.171,6 7.433,7 -4.606,8 2.061,9 2.136,10 2.148,11 179.097,12 308.617,13 308.617,14 216.41,15 216.41,16 197.351,17 23,18 0.17,19 69.601,20 291.831,21 11,22 0.096,23 0.029,24 11,25 12,26 17,27 0.932,28 5.1,29 8.378,30 0.297,31 0.406,32 3.077,33 5.44,34 0.935,35 1.65,36 1.926,37 0.941,38 26,39 5.939,40 6.372,41 6.464,42 183.767,43 0.144,44 -0.036,45 3.675,46 4.73,47 5.925,48 7.18,49 8.468,50 9.775,51 11.095,52 3.195,53 13,54 2.049,55 1.916,56 14,57 8,58 3.195,59 0.71,60 4.82,61 3.857,62 3.199,63 4.832,64 8.79}
{0 CHEMBL121571,1 1.43,2 12,3 5.201,4 0.014,5 0.165,6 7.433,7 -4.252,8 1.92,9 2.04,10 2.043,11 179.097,12 308.617,13 308.617,14 216.41,15 241.71,16 198.25,17 17,18 0.17,19 94.389,20 291.831,21 11,22 0.094,23 0.03,24 7,25 9,26 13,27 0.955,28 5.6,29 8.021,30 0.304,31 0.484,32 2.896,33 5.173,34 0.925,35 1.786,36 1.643,37 0.928,38 20,39 5.971,40 6.234,41 6.271,42 183.767,43 0.138,44 -0.025,45 4.041,46 5.579,47 7.434,48 9.456,49 11.558,50 13.695,51 15.847,52 3.021,53 11.5,54 1.984,55 1.841,56 15,57 8,58 3.021,59 0.723,60 5.037,61 4.093,62 3.199,63 4.832,64 7.89}
{0 CHEMBL126294,1 1.301,2 11,3 5.078,4 0.016,5 0.156,6 7.445,7 -8.112,8 1.897,9 2.037,10 2.04,11 277.685,12 460.385,13 460.385,14 301.24,15 326.54,16 222.303,17 13,18 0.17,19 82.391,20 460.385,21 6,22 0.088,23 0.016,24 2,25 4,26 7,27 0.968,28 9.3,29 7.607,30 0.321,31 0.615,32 2.964,33 5.066,34 0.911,35 2.194,36 1.449,37 0.909,38 12,39 5.753,40 6.127,41 6.127,42 352.32,43 0.154,44 -0.004,45 4.288,46 5.786,47 7.581,48 9.551,49 11.617,50 13.731,51 15.869,52 3.039,53 13.5,54 1.824,55 1.648,56 19,57 8,58 3.039,59 0.759,60 7.732,61 4.093,62 3.607,63 5.35,64 8.222}
{0 CHEMBL126776,1 1.242,2 11,3 5.033,4 0.016,5 0.156,6 7.442,7 -6.541,8 1.897,9 2.038,10 2.044,11 247.836,12 435.24,13 435.24,14 284.17,15 284.17,16 226.044,17 13,18 0.17,19 52.393,20 435.24,21 8,22 0.083,23 0.03,24 4,25 9,26 10,27 0.967,28 7.9,29 7.638,30 0.319,31 0.763,32 2.997,33 5.075,34 0.94,35 1.99,36 1.469,37 0.888,38 18,39 5.716,40 6.034,41 6.07,42 327.176,43 0.145,44 -0.008,45 3.883,46 5.025,47 6.336,48 7.739,49 9.209,50 10.729,51 12.292,52 3.036,53 13.5,54 1.879,55 1.714,56 17,57 8,58 3.036,59 0.746,60 7.565,61 3.861,62 3.494,63 5.233,64 8}
{0 CHEMBL128175,1 1.252,2 10,3 4.989,4 0.017,5 0.154,6 7.443,7 -6.388,8 1.898,9 2.041,10 2.048,11 247.836,12 435.24,13 435.24,14 284.17,15 284.17,16 241.16,17 14,18 0.17,19 46.673,20 435.24,21 6,22 0.084,23 0.037,24 2,25 5,26 9,27 0.95,28 8.2,29 7.535,30 0.325,31 0.878,32 2.972,33 5.027,34 0.944,35 1.822,36 1.427,37 0.871,38 12,39 5.522,40 5.849,41 5.904,42 327.176,43 0.152,44 -0.031,45 3.894,46 5.04,47 6.355,48 7.76,49 9.23,50 10.75,51 12.311,52 2.994,53 14,54 1.82,55 1.642,56 17,57 8,58 2.994,59 0.76,60 7.74,61 3.818,62 3.494,63 5.242,64 5}
{0 CHEMBL128521,1 1.221,2 10,3 5.069,4 0.017,5 0.158,6 7.443,7 -6.336,8 1.897,9 2.038,10 2.041,11 247.836,12 420.354,13 420.354,14 275.38,15 275.38,16 226.273,17 13,18 0.17,19 46.673,20 420.354,21 5,22 0.085,23 0.016,24 2,25 5,26 9,27 0.956,28 8,29 7.572,30 0.323,31 0.737,32 2.904,33 5.066,34 0.962,35 1.945,36 1.531,37 0.892,38 12,39 5.64,40 5.977,41 6.083,42 327.176,43 0.144,44 -0.014,45 3.907,46 5.044,47 6.357,48 7.762,49 9.231,50 10.751,51 12.312,52 3.04,53 14.5,54 1.814,55 1.631,56 17,57 8,58 3.04,59 0.763,60 6.81,61 3.862,62 3.506,63 5.245,64 6.714}
{0 CHEMBL128854,1 1.192,2 11,3 5.014,4 0.018,5 0.162,6 7.443,7 -6.313,8 1.897,9 2.04,10 2.043,11 247.836,12 420.354,13 420.354,14 275.38,15 275.38,16 239.739,17 14,18 0.17,19 51.313,20 420.354,21 5,22 0.09,23 0.004,24 5,25 10,26 14,27 0.983,28 7.6,29 7.577,30 0.322,31 0.733,32 2.904,33 5.066,34 0.981,35 1.998,36 1.735,37 0.894,38 13,39 5.741,40 6.06,41 6.161,42 327.176,43 0.15,44 -0.031,45 3.907,46 5.044,47 6.357,48 7.762,49 9.231,50 10.751,51 12.312,52 3.04,53 14.5,54 1.82,55 1.642,56 17,57 8,58 3.04,59 0.76,60 6.73,61 3.862,62 3.506,63 5.245,64 6.987}
{0 CHEMBL129301,1 1.17,2 14,3 4.926,4 0.02,5 0.16,6 7.445,7 -7.394,8 1.897,9 2.04,10 2.041,11 277.685,12 445.499,13 445.499,14 292.45,15 292.45,16 246.458,17 14,18 0.17,19 53.912,20 445.499,21 5,22 0.09,23 -0.018,24 5,25 12,26 18,27 1.003,28 8.1,29 7.684,30 0.324,31 0.791,32 2.904,33 5.173,34 1.021,35 2.213,36 2.143,37 0.886,38 13,39 5.603,40 6.067,41 6.164,42 352.32,43 0.167,44 0.009,45 4.016,46 5.154,47 6.458,48 7.851,49 9.307,50 10.814,51 12.363,52 3.04,53 16,54 1.811,55 1.626,56 18,57 8,58 3.04,59 0.763,60 6.636,61 3.865,62 3.617,63 5.353,64 6.79}
{0 CHEMBL150346,1 1.338,2 8,3 4.219,4 0.017,5 0.18,6 7.423,7 -0.085,8 1.922,9 2.065,10 2.071,11 60.128,12 70.2,13 70.2,14 53.17,15 53.17,16 34.259,17 1,18 0.5,19 35.276,20 53.414,21 3,22 0.098,23 -0.011,24 9,25 7,26 7,27 0.959,28 3.9,29 7.699,30 0.284,31 0.392,32 2.318,33 4.649,34 0.977,35 0.24,36 0.562,37 0.931,38 2,39 5.092,40 5.28,41 5.28,42 50.29,43 0.047,44 -0.042,45 2.717,46 3.855,47 5.196,48 6.62,49 8.087,50 9.579,51 11.087,52 2.745,53 4.5,54 2.142,55 2.051,56 4,57 2,58 2.745,59 0.69,60 -0.419,61 3.807,62 2.482,63 4.163,64 5.161}
{0 CHEMBL151990,1 1.125,2 3,3 4.216,4 0.015,5 0.184,6 4.97,7 0.099,8 1.929,9 2.067,10 2.073,11 30.278,12 45.055,13 45.055,14 36.1,15 36.1,16 31.296,17 2,18 0.67,19 27.608,20 28.269,21 3,22 0.101,23 -0.1,24 9,25 9,26 9,27 1.051,28 2.2,29 7.613,30 0.282,31 0.391,32 2.318,33 4.527,34 1.076,35 0.171,36 0.456,37 0.929,38 1,39 4.923,40 5.132,41 5.132,42 25.145,43 -0.09,44 -0.021,45 2.298,46 3.392,47 4.787,48 6.28,49 7.81,50 9.354,51 10.905,52 2.331,53 4,54 2.187,55 2.118,56 3,57 2,58 2.331,59 0.681,60 -0.424,61 3.768,62 2.085,63 3.757,64 5.167}
{0 CHEMBL152011,1 0.881,2 3,3 4.301,4 0.011,5 0.191,6 4.753,7 1.964,8 1.947,9 2.136,10 2.144,12 32.135,13 32.135,14 24.5,15 24.5,16 35.056,18 0.5,19 25.535,20 32.135,21 2,22 0.104,23 -0.077,24 8,25 12,26 15,27 1.071,28 1.9,29 6.998,30 0.277,31 0.693,32 2.082,33 4.182,34 1.085,35 0.262,36 0.368,37 0.879,39 4.749,40 4.982,41 5.034,42 11,43 -0.155,44 0.068,45 1.459,46 1.074,47 0.807,48 0.608,49 0.458,50 0.343,51 0.256,52 2.116,53 3.5,54 2.179,55 2.113,56 3,57 2,58 2.116,59 0.682,60 -0.435,61 3.366,62 0.325,63 0.268,64 4}
{0 CHEMBL152055,1 0.857,2 2,3 3.725,4 0.011,5 0.208,6 4.795,7 1.788,8 1.993,9 2.143,10 2.152,12 36.022,13 36.022,14 29.26,15 29.26,16 45.302,18 0.83,19 15.652,20 36.022,21 1,22 0.124,23 -0.187,24 18,25 20,26 14,27 1.17,29 6.846,30 0.271,31 1.304,32 1.908,33 4.06,34 1.162,35 0.176,36 0.402,37 0.764,39 4.099,40 4.219,41 4.219,42 32.897,43 -0.126,44 0.128,45 1.059,46 0.636,47 0.384,48 0.232,49 0.14,50 0.085,51 0.052,52 2.115,53 2.5,54 2.205,55 2.129,56 2,57 2,58 2.115,59 0.679,60 0.169,61 3.581,62 0.325,63 0.268,64 4}
{0 CHEMBL152239,1 0.767,2 3,3 3.935,4 0.01,5 0.199,6 4.811,7 1.655,8 1.996,9 2.148,10 2.156,12 21.135,13 36.095,14 15.27,15 15.27,16 32.521,18 0.5,19 30.064,20 36.095,21 2,22 0.116,23 -0.123,24 22,25 27,26 27,27 1.116,29 7.299,30 0.274,31 1.017,32 2.169,33 4.443,34 1.109,35 0.39,36 0.567,37 0.827,39 4.506,40 4.805,41 4.866,42 14.96,43 -0.066,44 0.115,45 1.321,46 0.816,47 0.488,48 0.285,49 0.165,50 0.096,51 0.057,52 2.381,53 3.5,54 2.207,55 2.143,56 3,57 2,58 2.381,59 0.678,60 -0.481,61 3.592,62 0.325,63 0.268,64 4}
{0 CHEMBL153042,1 0.693,2 3,3 3.98,4 0.01,5 0.199,6 4.806,7 2.096,8 1.995,9 2.148,10 2.156,12 21.135,13 21.135,14 15.27,15 15.27,16 35.056,18 0.5,19 26.978,20 21.135,21 2,22 0.115,23 -0.07,24 22,25 26,26 26,27 1.062,29 7.299,30 0.276,31 1,32 2.162,33 4.443,34 1.037,35 0.282,36 0.583,37 0.832,39 4.612,40 4.896,41 4.954,42 39.149,43 -0.1,44 0.04,45 1.165,46 0.662,47 0.39,48 0.233,49 0.14,50 0.085,51 0.052,52 2.381,53 3.5,54 2.2,55 2.138,56 3,57 2,58 2.381,59 0.679,60 -0.488,61 3.591,62 0.325,63 0.268,64 4}
{0 CHEMBL16192,1 0.793,2 4,3 4.078,4 0.009,5 0.204,6 4.8,7 1.991,8 1.996,9 2.148,10 2.156,12 32.135,13 32.135,14 24.5,15 24.5,16 32.521,18 0.5,19 26.186,20 32.135,21 2,22 0.117,23 -0.101,24 22,25 27,26 27,27 1.093,28 1.6,29 7.314,30 0.272,31 1.028,32 2.17,33 4.443,34 1.093,35 0.367,36 0.567,37 0.828,39 4.613,40 4.892,41 4.949,42 11,43 -0.155,44 0.059,45 1.654,46 1.211,47 0.891,48 0.657,49 0.484,50 0.357,51 0.263,52 2.381,53 3.5,54 2.2,55 2.138,56 3,57 2,58 2.381,59 0.679,60 -0.488,61 3.592,62 0.325,63 0.268,64 5}
{0 CHEMBL216897,1 1.358,2 14,3 5.01,4 0.016,5 0.178,6 7.472,7 -10.543,8 1.922,9 2.041,10 2.04,11 316.574,12 577.21,13 577.21,14 402.78,15 402.78,16 328.182,17 33,18 0.17,19 83.405,20 510.068,21 20,22 0.094,23 0.036,24 10,25 13,26 15,27 0.906,28 6.6,29 8.975,30 0.291,31 1.361,32 3.262,33 5.922,34 0.941,35 2.498,36 2.611,37 0.812,38 26,39 5.5,40 5.745,41 5.877,42 402.003,43 0.17,44 -0.027,45 4.106,46 5.286,47 6.661,48 8.14,49 9.689,50 11.286,51 12.917,52 3.324,53 17.5,54 2.033,55 1.879,56 24,57 14,58 3.324,59 0.715,60 11.925,61 3.88,62 3.743,63 5.545,64 4.95}
{0 CHEMBL217365,1 1.303,2 16,3 5.145,4 0.016,5 0.172,6 7.472,7 -10.672,8 1.922,9 2.044,10 2.042,11 359.257,12 603.108,13 603.108,14 407.22,15 407.22,16 311.396,17 32,18 0.17,19 78.688,20 552.751,21 19,22 0.093,23 0.037,24 9,25 13,26 17,27 0.914,28 7.4,29 8.836,30 0.295,31 1.013,32 3.256,33 5.846,34 0.945,35 2.599,36 2.599,37 0.86,38 25,39 5.746,40 6.048,41 6.197,42 444.687,43 0.166,44 -0.015,45 4.106,46 5.286,47 6.661,48 8.14,49 9.689,50 11.286,51 12.917,52 3.322,53 18,54 2.006,55 1.848,56 24,57 13,58 3.322,59 0.72,60 12.002,61 3.88,62 3.743,63 5.545,64 4.81}
{0 CHEMBL217406,1 1.334,2 14,3 5.392,4 0.017,5 0.161,6 7.45,7 -15.436,8 1.897,9 2.038,10 2.04,11 404.409,12 699.004,13 699.004,14 463.47,15 488.77,16 358.463,17 19,18 0.17,19 111.506,20 682.218,21 10,22 0.089,23 0.003,24 3,25 7,26 9,27 0.981,28 8.8,29 8.043,30 0.315,31 0.519,32 3.202,33 5.447,34 0.946,35 3.707,36 2.458,37 0.929,38 17,39 6.306,40 6.744,41 6.794,42 520.121,43 0.13,44 -0.005,45 4.528,46 5.952,47 7.678,48 9.6,49 11.64,50 13.742,51 15.874,52 3.223,53 19,54 1.858,55 1.687,56 29,57 14,58 3.223,59 0.751,60 13.05,61 4.093,62 3.883,63 5.617,64 9}
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{0 CHEMBL332311,1 1.269,2 12,3 4.935,4 0.018,5 0.173,6 7.442,7 -6.883,8 1.92,9 2.042,10 2.041,11 260.669,12 407.645,13 407.645,14 274.62,15 274.62,16 199.197,17 21,18 0.17,19 53.562,20 374.074,21 14,22 0.095,23 0.004,24 6,25 9,26 12,27 0.946,28 7.8,29 8.471,30 0.295,31 0.642,32 3.1,33 5.497,34 0.961,35 1.685,36 1.834,37 0.904,38 16,39 5.569,40 5.886,41 6.03,42 302.031,43 0.15,44 -0.008,45 3.742,46 4.904,47 6.233,48 7.654,49 9.141,50 10.678,51 12.254,52 3.22,53 13,54 1.993,55 1.826,56 16,57 8,58 3.22,59 0.724,60 7.547,61 3.87,62 3.367,63 5.122,64 5.4}
{0 CHEMBL332820,1 1.387,2 12,3 5.127,4 0.014,5 0.163,6 7.433,7 -4.353,8 1.92,9 2.04,10 2.043,11 179.097,12 341.514,13 341.514,14 242.43,15 242.43,16 237.423,17 20,18 0.17,19 68.444,20 324.728,21 12,22 0.092,23 0.023,24 7,25 11,26 15,27 0.964,28 5.4,29 8.021,30 0.305,31 0.478,32 2.896,33 5.173,34 0.963,35 1.83,36 1.683,37 0.93,38 20,39 6.041,40 6.294,41 6.33,42 216.664,43 0.137,44 -0.023,45 3.675,46 4.73,47 5.925,48 7.18,49 8.468,50 9.775,51 11.095,52 3.021,53 11.5,54 1.984,55 1.844,56 15,57 9,58 3.021,59 0.723,60 6.694,61 3.856,62 3.199,63 4.832,64 6.51}
{0 CHEMBL332872,1 1.273,2 12,3 5.136,4 0.015,5 0.164,6 7.442,7 -5.516,8 1.92,9 2.04,10 2.043,11 247.836,12 376.445,13 376.445,14 253.71,15 253.71,16 197.351,17 20,18 0.17,19 62.179,20 359.66,21 12,22 0.094,23 0.02,24 7,25 9,26 11,27 0.951,28 7.7,29 8.06,30 0.307,31 0.438,32 2.905,33 5.239,34 0.961,35 2.167,36 1.765,37 0.935,38 21,39 5.952,40 6.224,41 6.263,42 251.595,43 0.163,44 -0.031,45 3.872,46 5.01,47 6.319,48 7.721,49 9.19,50 10.713,51 12.278,52 3.037,53 12.5,54 1.973,55 1.82,56 16,57 8,58 3.037,59 0.726,60 5.892,61 3.86,62 3.494,63 5.224,64 7.17}
{0 CHEMBL333027,1 1.335,2 16,3 5.162,4 0.013,5 0.162,6 7.434,7 -4.732,8 1.92,9 2.04,10 2.043,11 204.242,12 362.772,13 362.772,14 254.74,15 254.74,16 227.129,17 20,18 0.17,19 82.985,20 345.987,21 12,22 0.09,23 0.017,24 7,25 12,26 18,27 0.967,28 6.3,29 8.139,30 0.306,31 0.496,32 3.021,33 5.308,34 0.955,35 2.083,36 1.725,37 0.929,38 20,39 6.107,40 6.426,41 6.504,42 219.912,43 0.183,44 -0.023,45 3.895,46 4.994,47 6.251,48 7.579,49 8.953,50 10.359,51 11.79,52 3.158,53 13,54 2.011,55 1.884,56 17,57 9,58 3.158,59 0.716,60 5.568,61 3.856,62 3.383,63 5.08,64 8.17}
{0 CHEMBL333515,1 1.41,2 16,3 5.048,4 0.015,5 0.17,6 7.433,7 -3.803,8 1.92,9 2.066,10 2.085,11 179.097,12 293.73,13 293.73,14 207.62,15 207.62,16 195.137,17 20,18 0.17,19 73.942,20 276.945,21 10,22 0.095,23 -0.026,24 7,25 11,26 17,27 1.016,28 5,29 8.063,30 0.301,31 0.602,32 2.907,33 5.239,34 1.017,35 1.822,36 1.93,37 0.913,38 22,39 5.989,40 6.271,41 6.305,42 183.767,43 0.139,44 0.005,45 3.691,46 4.735,47 5.928,48 7.183,49 8.472,50 9.779,51 11.099,52 3.055,53 12.5,54 2.013,55 1.871,56 14,57 8,58 3.055,59 0.717,60 4.103,61 3.862,62 3.214,63 4.836,64 8.42}
{0 CHEMBL334186,1 1.424,2 14,3 5.023,4 0.013,5 0.163,6 7.433,7 -4.98,8 1.92,9 2.04,10 2.043,11 208.947,12 351.772,13 351.772,14 245.51,15 245.51,16 220.002,17 24,18 0.17,19 73.8,20 334.987,21 13,22 0.092,23 0.013,24 10,25 15,26 16,27 0.961,28 5.8,29 8.139,30 0.304,31 0.492,32 3.025,33 5.308,34 0.957,35 1.913,36 1.684,37 0.929,38 24,39 5.925,40 6.344,41 6.427,42 208.912,43 0.144,44 -0.02,45 3.83,46 4.874,47 6.065,48 7.316,49 8.6,50 9.903,51 11.218,52 3.16,53 13,54 2.012,55 1.879,56 16,57 9,58 3.16,59 0.717,60 5.636,61 3.856,62 3.347,63 4.978,64 9.26}
{0 CHEMBL334721,1 1.524,2 15,3 4.844,4 0.015,5 0.176,6 7.429,7 -7.6,8 1.92,9 2.051,10 2.047,11 208.947,12 318.875,13 318.875,14 219.49,15 244.79,16 176.189,17 18,18 0.17,19 91.918,20 302.09,21 9,22 0.103,23 0.029,24 5,25 4,26 9,27 0.921,28 6.9,29 8.115,30 0.294,31 0.454,32 3.026,33 5.27,34 0.894,35 2.426,36 2.092,37 0.932,38 21,39 5.583,40 6.067,41 6.219,42 176.014,43 0.142,44 -0.022,45 4.159,46 5.661,47 7.481,48 9.48,49 11.569,50 13.7,51 15.849,52 3.198,53 12,54 2.014,55 1.862,56 16,57 8,58 3.198,59 0.718,60 4.243,61 4.093,62 3.347,63 5.01,64 5}
{0 CHEMBL336849,1 1.16,2 10,3 4.993,4 0.018,5 0.162,6 7.443,7 -6.317,8 1.897,9 2.039,10 2.042,11 247.836,12 420.354,13 420.354,14 275.38,15 275.38,16 237.204,17 13,18 0.17,19 48.779,20 420.354,21 5,22 0.089,24 4,25 8,26 11,27 0.974,28 7.8,29 7.577,30 0.322,31 0.735,32 2.904,33 5.066,34 0.987,35 1.921,36 1.653,37 0.893,38 13,39 5.691,40 6.019,41 6.123,42 327.176,43 0.149,44 -0.025,45 3.907,46 5.044,47 6.357,48 7.762,49 9.231,50 10.751,51 12.312,52 3.04,53 14.5,54 1.817,55 1.636,56 17,57 8,58 3.04,59 0.761,60 6.77,61 3.862,62 3.506,63 5.245,64 6.558}
{0 CHEMBL337970,1 1.228,2 10,3 5.076,4 0.017,5 0.157,6 7.443,7 -6.848,8 1.898,9 2.041,10 2.048,11 247.836,12 435.24,13 435.24,14 284.17,15 284.17,16 223.509,17 17,18 0.17,19 49.858,20 435.24,21 6,22 0.085,23 0.066,24 2,25 5,26 9,27 0.888,28 8.1,29 7.638,30 0.318,31 0.694,32 3.039,33 5.075,34 0.898,35 1.869,36 1.529,37 0.898,38 14,39 5.72,40 6.028,41 6.101,42 327.176,43 0.144,44 -0.016,45 3.894,46 5.04,47 6.355,48 7.76,49 9.23,50 10.75,51 12.311,52 3.049,53 13.5,54 1.877,55 1.71,56 17,57 8,58 3.049,59 0.747,60 7.607,61 3.862,62 3.494,63 5.242,64 5}
{0 CHEMBL339591,1 1.215,2 13,3 5.037,4 0.015,5 0.164,6 7.442,7 -6.456,8 1.899,9 2.049,10 2.056,11 247.836,12 420.354,13 420.354,14 275.38,15 275.38,16 224.623,17 14,18 0.17,19 57.033,20 420.354,21 7,22 0.089,23 -0.003,24 7,25 14,26 18,27 1.025,28 7.3,29 7.675,30 0.316,31 0.779,32 3.035,33 5.112,34 0.991,35 2.076,36 1.655,37 0.888,38 18,39 5.837,40 6.131,41 6.164,42 327.176,43 0.143,44 -0.018,45 3.896,46 5.029,47 6.338,48 7.741,49 9.21,50 10.731,51 12.293,52 3.114,53 14,54 1.876,55 1.71,56 17,57 8,58 3.114,59 0.747,60 6.584,61 3.861,62 3.506,63 5.236,64 9}
{0 CHEMBL339615,1 1.348,2 10,3 5.314,4 0.016,5 0.153,6 7.443,7 -6.615,8 1.897,9 2.037,10 2.04,11 247.836,12 435.24,13 435.24,14 284.17,15 309.47,16 224.409,17 13,18 0.17,19 79.792,20 435.24,21 6,22 0.082,23 0.01,24 2,25 4,26 7,27 0.977,28 8.3,29 7.514,30 0.323,31 0.628,32 2.904,33 4.987,34 0.918,35 1.996,36 1.408,37 0.907,38 12,39 5.873,40 6.127,41 6.127,42 327.176,43 0.139,44 -0.009,45 4.197,46 5.724,47 7.546,48 9.534,49 11.608,50 13.727,51 15.867,52 3.034,53 13,54 1.831,55 1.66,56 18,57 8,58 3.034,59 0.757,60 7.759,61 4.093,62 3.494,63 5.242,64 7.301}
{0 CHEMBL339941,1 1.268,2 11,3 4.959,4 0.017,5 0.153,6 7.443,7 -6.452,8 1.897,9 2.039,10 2.043,11 247.836,12 435.24,13 435.24,14 284.17,15 284.17,16 241.16,17 14,18 0.17,19 46.673,20 435.24,21 6,22 0.088,23 0.025,24 2,25 5,26 9,27 0.972,28 8.2,29 7.535,30 0.325,31 0.878,32 2.932,33 5.027,34 0.961,35 1.917,36 1.449,37 0.871,38 12,39 5.492,40 5.849,41 5.904,42 327.176,43 0.152,44 0.001,45 3.894,46 5.04,47 6.355,48 7.76,49 9.23,50 10.75,51 12.311,52 2.978,53 14,54 1.82,55 1.642,56 17,57 8,58 2.978,59 0.76,60 7.74,61 3.844,62 3.494,63 5.242,64 5.247}
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{0 CHEMBL340847,1 1.307,2 12,3 4.848,4 0.017,5 0.152,6 7.444,7 -5.689,8 1.897,9 2.037,10 2.041,11 247.836,12 402.343,13 402.343,14 258.15,15 258.15,16 210.797,17 13,18 0.17,19 49.207,20 402.343,21 6,22 0.085,23 0.015,24 2,25 5,26 10,27 0.972,28 8.3,29 7.508,30 0.326,31 0.894,32 2.888,33 4.987,34 0.972,35 1.79,36 1.449,37 0.868,38 12,39 5.442,40 5.806,41 5.861,42 294.278,43 0.16,44 -0.008,45 3.894,46 5.041,47 6.357,48 7.762,49 9.232,50 10.752,51 12.313,52 2.976,53 13,54 1.827,55 1.654,56 16,57 7,58 2.976,59 0.758,60 6.004,61 3.852,62 3.494,63 5.242,64 5.782}
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