@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5285

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1172777,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1345690,CHEMBL1410917,CHEMBL1421,CHEMBL14762,CHEMBL1529134,CHEMBL1609550,CHEMBL1614701,CHEMBL1614725,CHEMBL162,CHEMBL1642655,CHEMBL1642656,CHEMBL1642657,CHEMBL1642669,CHEMBL1688215,CHEMBL1688850,CHEMBL1721885,CHEMBL1765740,CHEMBL1767070,CHEMBL1767071,CHEMBL1767072,CHEMBL1767077,CHEMBL1767078,CHEMBL1789941,CHEMBL180022,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1916359,CHEMBL1916996,CHEMBL1929238,CHEMBL1957085,CHEMBL2048912,CHEMBL2148053,CHEMBL215152,CHEMBL2205625,CHEMBL2205626,CHEMBL2205627,CHEMBL2205628,CHEMBL2205629,CHEMBL2205630,CHEMBL2205631,CHEMBL2205632,CHEMBL2205633,CHEMBL2205634,CHEMBL2205635,CHEMBL2205636,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL2333365,CHEMBL2346710,CHEMBL2348417,CHEMBL2348824,CHEMBL2348825,CHEMBL2348826,CHEMBL2348827,CHEMBL2348828,CHEMBL2348829,CHEMBL2348830,CHEMBL2348831,CHEMBL2348832,CHEMBL2348833,CHEMBL2348834,CHEMBL2348835,CHEMBL2348836,CHEMBL2348837,CHEMBL2348838,CHEMBL2348839,CHEMBL2349201,CHEMBL2349202,CHEMBL2349203,CHEMBL2349204,CHEMBL2349205,CHEMBL2349206,CHEMBL2349207,CHEMBL2349208,CHEMBL2349209,CHEMBL2349210,CHEMBL2349211,CHEMBL2349212,CHEMBL2349213,CHEMBL2349214,CHEMBL2349215,CHEMBL2349216,CHEMBL2349217,CHEMBL2349218,CHEMBL2349219,CHEMBL2349220,CHEMBL2349221,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL264666,CHEMBL269881,CHEMBL274480,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL361708,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL471375,CHEMBL475251,CHEMBL477772,CHEMBL478889,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute P_VSA_LogP_5 numeric
@attribute ATSC7v numeric
@attribute P_VSA_i_4 numeric
@attribute SpMax6_Bh.i. numeric
@attribute nN numeric
@attribute TIC2 numeric
@attribute ATSC6i numeric
@attribute TIC1 numeric
@attribute ATS6e numeric
@attribute SpMin3_Bh.p. numeric
@attribute Eta_epsi numeric
@attribute ATSC1p numeric
@attribute Chi0_EA.dm. numeric
@attribute Si numeric
@attribute TIC3 numeric
@attribute ATSC7m numeric
@attribute SpMin8_Bh.v. numeric
@attribute ATSC1i numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin3_Bh.v. numeric
@attribute Eig07_EA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute MATS6v numeric
@attribute ATSC2p numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute P_VSA_m_2 numeric
@attribute SpMin4_Bh.v. numeric
@attribute nHAcc numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute P_VSA_e_3 numeric
@attribute ATS7i numeric
@attribute D.Dtr06 numeric
@attribute SpMin7_Bh.p. numeric
@attribute ATS2i numeric
@attribute Psi_i_0 numeric
@attribute ATS8e numeric
@attribute ON0V numeric
@attribute SpMin6_Bh.p. numeric
@attribute ATSC8v numeric
@attribute Eig15_EA.bo. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_EA.ri. numeric
@attribute SpMax7_Bh.e. numeric
@attribute ATS7e numeric
@attribute ATS3i numeric
@attribute Chi1_EA.dm. numeric
@attribute MATS6m numeric
@attribute GATS8s numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute SpMin8_Bh.e. numeric
@attribute ATSC3i numeric
@attribute ATS8i numeric
@attribute GATS8e numeric
@attribute SpMin8_Bh.m. numeric
@attribute Sp numeric
@attribute Sv numeric
@attribute X1Kup numeric
@attribute X1MulPer numeric
@attribute Eig06_AEA.ed. numeric
@attribute Se numeric
@attribute ATSC2i numeric
@attribute pXC50 numeric

@data
{1 57.866,2 9.813,3 65.317,4 2.942,5 3,6 177.355,7 1.223,8 143.581,9 4.499,10 1.923,11 27.048,12 3.94,13 4.368,14 47.87,15 200.574,16 16.215,17 1.107,18 0.666,19 1.107,20 1.928,21 3.75,22 3.75,23 0.039,24 6.738,25 4.272,26 4.568,27 4.568,28 198.474,29 1.633,30 4,31 233.329,32 43,33 50.357,34 4.659,35 265.59,36 1.062,37 4.468,38 18.812,39 4.594,40 8.126,41 1.358,42 10.966,43 -0.594,44 2.854,45 7.672,46 8.392,47 9.652,48 2.854,49 4.493,50 4.722,51 2.498,52 0.099,53 0.88,54 1.527,55 1.527,56 0.886,57 1.318,58 4.821,59 0.905,60 1.181,61 31.387,62 30.037,63 8.367,64 8.007,65 4.69,66 43.407,67 1.074,68 5}
{0 CHEMBL101253,1 53.451,2 8.757,3 68.122,4 2.946,5 4,6 163.658,7 1.026,8 128.638,9 4.382,10 1.929,11 24.286,12 3.065,13 18.364,14 44.428,15 188.877,16 15.408,17 1.066,18 0.569,19 1.107,20 1.939,21 3.102,22 3.102,23 -0.025,24 5.141,25 3.792,26 4.596,27 4.596,28 203.188,29 1.544,30 4,31 212.877,32 40,33 68.122,34 4.573,35 266.179,36 1.062,37 4.398,38 17.582,39 4.285,40 7.243,41 1.062,42 8.711,43 -0.833,44 2.854,45 7.545,46 8.209,47 9.512,48 2.854,49 4.37,50 4.697,51 28.435,52 -0.136,53 0.779,54 1.44,55 1.44,56 0.845,57 1.134,58 4.512,59 0.655,60 1.122,61 29.449,62 28.074,63 7.92,64 7.714,65 4.658,66 40.033,67 0.892,68 5}
{0 CHEMBL103667,1 40.074,2 21.166,3 57.585,4 3.546,5 5,6 348.22,7 2.014,8 266.431,9 5.161,10 1.982,11 42.7,12 7.024,13 36.989,14 85.763,15 390.539,16 41.436,17 1.472,18 1.114,19 1.584,20 1.977,21 6.04,22 6.04,23 0.01,24 11.499,25 5.051,26 4.594,27 4.594,28 245.668,29 1.946,30 7,31 474.842,32 76,33 57.585,34 5.426,35 481.223,36 1.576,37 5.161,38 28.075,39 5.328,40 14.767,41 1.656,42 23.357,43 1.337,44 3.289,45 8.256,46 9.137,47 10.378,48 3.427,49 5.213,50 5.428,51 47.755,52 -0.06,53 2.046,54 2.149,55 2.149,56 1.222,57 2.215,58 5.566,59 1.284,60 1.513,61 49.574,62 46.68,63 13.293,64 12.824,65 5.339,66 75.629,67 1.786,68 4.523}
{0 CHEMBL105442,1 50.112,2 6.234,3 68.556,4 3.04,5 2,6 180.521,7 1.152,8 153.26,9 4.392,10 1.699,11 26.705,12 3.405,13 16.843,14 44.081,15 194.131,16 11.633,17 0.973,18 0.668,19 1.059,20 1.68,21 3.779,22 3.779,23 0.01,24 6.413,25 4.209,26 4.52,27 4.52,28 132.485,29 1.429,30 6,31 206.131,32 39,33 38.636,34 4.554,35 170.887,36 1.016,37 4.4,38 17.112,39 4.31,40 6.905,41 1.232,42 7.243,43 -0.817,44 2.794,45 7.563,46 8.328,47 9.54,48 2.879,49 4.409,50 4.69,51 19.271,52 -0.016,53 1.182,54 1.519,55 1.519,56 0.735,57 1.404,58 4.504,59 1.157,60 1.006,61 29.404,62 27.598,63 7.543,64 7.35,65 4.887,66 40.345,67 1.031,68 5}
{0 CHEMBL1172777,1 18.93,2 2.369,3 100.039,4 2.205,5 5,6 73.956,7 0.186,8 66.446,9 3.193,10 1.408,11 12.767,12 1.402,13 5.491,14 21.827,15 73.956,16 7.061,18 0.362,19 0.114,20 1.476,21 -1.031,22 -1.031,23 -0.498,24 2.805,25 2.322,26 4.542,27 4.542,28 122.729,29 1.31,30 4,31 80.711,32 19,33 100.039,34 3.064,35 24.576,36 0.056,37 3.714,38 8.116,40 3.683,41 0.445,44 1.227,45 6.578,46 7.339,47 8.508,48 1.916,49 2.597,50 3.657,51 4.777,52 -0.359,54 -0.424,55 -0.424,57 0.482,61 13.438,62 12.821,63 3.35,64 3.136,65 2.817,66 19.469,67 0.512,68 4.876}
{0 CHEMBL1173655,1 68.849,2 14.109,3 87.677,4 3.415,5 5,6 303.957,7 1.688,8 240.863,9 4.952,10 1.902,11 37.4,12 5.109,13 32.664,14 66.971,15 321.566,16 33.344,17 1.308,18 0.934,19 1.488,20 1.907,21 5.602,22 5.602,23 -0.007,24 8.349,25 4.945,26 4.58,27 4.58,28 213.415,29 1.771,30 9,31 347.076,32 59,33 72.717,34 5.215,35 299.294,36 1.487,37 4.893,38 23.595,39 4.972,40 11.136,41 1.609,42 14.064,43 0.505,44 2.999,45 7.696,46 8.37,47 9.594,48 3.121,49 5.02,50 5.121,51 46.591,52 0.031,53 1.132,54 2.109,55 2.109,56 1.044,57 1.652,58 5.17,59 1.042,60 1.417,61 39.563,62 38.257,63 10.578,64 10.289,65 5.056,66 60.047,67 1.435,68 5}
{0 CHEMBL119385,1 69.615,2 5.374,3 66.371,4 2.968,5 3,6 167.24,7 1.044,8 138.711,9 4.352,10 1.849,11 28.133,12 2.485,13 19.118,14 41.268,15 184.75,16 14.148,17 0.979,18 0.631,19 1.004,20 1.848,21 5.104,22 5.104,23 -0.074,24 4.245,25 4.841,26 4.659,27 4.659,28 162.627,29 1.504,30 6,31 192.75,32 37,33 36.45,34 4.376,35 301.744,36 0.989,37 4.313,38 18.782,39 3.952,40 7.005,41 1.068,42 4.94,43 -0.445,44 2.885,45 7.719,46 8.495,47 9.752,48 2.901,49 4.206,50 4.592,51 21.577,52 -0.11,53 0.963,54 1.879,55 1.879,56 0.835,57 1.354,58 4.131,59 0.817,60 0.869,61 29.517,62 29.022,63 7.912,64 7.662,65 4.913,66 38.8,67 1.026,68 5}
{0 CHEMBL1230020,1 59.276,2 6.515,3 79.896,4 3.164,5 3,6 202.15,7 1.433,8 173.644,9 4.493,10 1.88,11 29.781,12 3.96,13 9.931,14 46.573,15 208.905,16 14.778,17 1.001,18 0.758,19 1.102,20 1.906,21 4.574,22 4.574,23 -0.068,24 7.01,25 4.652,26 4.724,27 4.724,28 149.051,29 1.691,30 7,31 219.66,32 41,33 49.976,34 4.621,35 162.885,36 1.096,37 4.493,38 18.068,39 4.354,40 7.712,41 1.282,42 6.493,43 -0.527,44 2.789,45 7.981,46 8.901,47 10.119,48 2.937,49 4.464,50 4.795,51 6.141,52 -0.024,53 1.106,54 1.639,55 1.639,56 0.825,57 1.471,58 4.54,59 1.14,60 0.999,61 29.091,62 28.677,63 7.923,64 7.606,65 4.959,66 42.898,67 1.185,68 5}
{0 CHEMBL1236107,1 33.939,2 4.673,3 86.378,4 3.114,5 7,6 179.724,7 0.988,8 142.505,9 4.228,10 1.802,11 25.167,12 3.012,13 6.656,14 43.654,15 201.376,16 14.677,17 1.081,18 0.691,19 1.158,20 1.778,21 4.36,22 4.36,23 0.012,24 4.777,25 4.413,26 4.578,27 4.578,28 202.869,29 1.593,30 5,31 206.131,32 39,33 86.378,34 4.358,35 187.508,36 1.141,37 4.44,38 18.24,39 4.023,40 7.65,41 1.422,42 4.966,43 -0.649,44 2.742,45 7.63,46 8.334,47 9.567,48 2.979,49 4.165,50 4.597,51 4.873,52 -0.084,53 0.759,54 1.618,55 1.618,56 0.772,57 1.226,58 4.213,59 0.776,60 1.076,61 28.972,62 27.917,63 7.949,64 7.697,65 4.952,66 39.44,67 1.1,68 5}
{0 CHEMBL1240703,1 23.647,2 36.875,3 24.933,4 3.564,5 4,6 361.478,7 3.852,8 278.685,9 5.807,10 2.019,11 45.233,12 6.747,13 30.107,14 82.438,15 405.583,16 75.265,17 1.553,18 1.064,19 1.62,20 2.005,21 8.417,22 8.417,23 -0.097,24 11.685,25 6.05,26 5.138,27 5.138,28 216.598,29 2.003,30 7,31 459.5,32 74,33 24.933,34 6.046,35 299.889,36 1.649,37 5.174,38 31.545,39 5.703,40 14.383,41 1.674,42 32.452,43 1.774,44 3.321,45 8.848,46 9.842,47 11.124,48 3.413,49 5.835,50 5.503,51 42.947,52 -0.053,53 1.141,54 2.404,55 2.404,56 1.314,57 2.532,58 5.922,59 1.134,60 1.572,61 51.193,62 49.508,63 14.672,64 14.327,65 6.172,66 74.531,67 1.884,68 5}
{0 CHEMBL1241674,1 35.083,2 8.859,3 101.693,4 3.09,5 6,6 178.621,7 1.06,8 156.115,9 4.411,10 1.885,11 24.067,12 2.975,13 11.643,14 44.275,15 186.621,16 20.418,17 1.131,18 0.657,19 1.221,20 1.876,21 4.303,22 4.303,23 -0.279,24 5.062,25 4.427,26 4.771,27 4.771,28 182.714,29 1.659,30 5,31 206.131,32 39,33 101.693,34 4.765,35 106.169,36 1.239,37 4.466,38 15.992,39 4.324,40 7.583,41 1.24,42 8.887,43 -1,44 2.874,45 7.795,46 8.66,47 9.893,48 2.954,49 4.498,50 4.699,51 8.663,52 -0.286,53 0.8,54 1.535,55 1.535,56 0.828,57 1.193,58 4.618,59 0.691,60 1.087,61 26.296,62 25.477,63 7.241,64 7.031,65 4.818,66 39.356,67 1.031,68 5}
{0 CHEMBL124660,1 71.071,2 22.414,3 60.955,4 3.63,5 6,6 391.296,7 2.283,8 277.832,9 5.395,10 2.017,11 46.767,12 7.398,13 40.814,14 94.301,15 437.354,16 49.652,17 1.456,18 1.222,19 1.6,20 2.011,21 6.538,22 6.538,23 -0.072,24 11.851,25 5.196,26 4.597,27 4.597,28 214.243,29 1.938,30 10,31 529.128,32 83,33 60.955,34 5.596,35 695.423,36 1.616,37 5.3,38 29.822,39 5.196,40 15.583,41 1.762,42 19.345,43 1.214,44 3.299,45 7.854,46 8.503,47 9.745,48 3.439,49 5.334,50 5.586,51 55.107,52 -0.012,53 1.092,54 2.227,55 2.227,56 1.175,57 2.317,58 5.433,59 1.264,60 1.513,61 52.557,62 49.47,63 14.497,64 14.139,65 5.34,66 82.825,67 1.928,68 5}
{0 CHEMBL1287853,1 74.686,2 19.972,3 89.122,4 3.502,5 6,6 347.553,7 1.832,8 265.024,9 5.038,10 1.937,11 41.667,12 6.83,13 38.907,14 82.766,15 377.063,16 39.463,17 1.485,18 1.121,19 1.57,20 1.942,21 6.721,22 6.721,23 -0.082,24 11.432,25 5.274,26 4.875,27 4.875,28 244.979,29 1.881,30 9,31 451.857,32 73,33 89.122,34 5.353,35 413.698,36 1.52,37 5.128,38 26.502,39 5.076,40 14.017,41 1.751,42 18.833,43 0.618,44 3.19,45 8.06,46 8.901,47 10.093,48 3.405,49 5.106,50 5.411,51 60.338,52 -0.098,53 0.742,54 2.282,55 2.282,56 1.206,57 2.131,58 5.315,59 0.81,60 1.423,61 47.466,62 44.362,63 12.501,64 11.917,65 5.354,66 72.923,67 1.759,68 5}
{0 CHEMBL1289926,1 39.471,2 9.879,3 68.122,4 3.244,5 4,6 207.355,7 1.195,8 162.004,9 4.549,10 1.928,11 27.633,12 3.899,13 7.851,14 51.029,15 242.574,16 20.446,17 1.089,18 0.663,19 1.196,20 1.933,21 3.78,22 3.78,23 -0.077,24 6.503,25 4.209,26 4.558,27 4.558,28 220.503,29 1.705,30 4,31 254.084,32 46,33 68.122,34 4.753,35 256.996,36 1.196,37 4.525,38 19.632,39 4.411,40 8.567,41 1.345,42 8.636,44 2.919,45 7.673,46 8.384,47 9.647,48 2.988,49 4.533,50 4.752,51 5.913,52 -0.111,53 0.935,54 1.508,55 1.508,56 0.95,57 1.248,58 4.634,59 1.026,60 1.109,61 33.455,62 31.675,63 8.792,64 8.494,65 4.823,66 45.996,67 1.04,68 5}
{0 CHEMBL1336,1 90.371,2 8.195,3 115.698,4 3.319,5 4,6 215.284,7 1.273,8 184.065,9 4.604,10 1.931,11 35.129,12 4.001,13 27.261,14 54.906,15 243.814,16 18.324,17 1.107,18 0.902,19 1.194,20 1.924,21 5.825,22 5.825,23 -0.009,24 6.648,25 4.965,26 4.547,27 4.547,28 215.731,29 1.678,30 10,31 268.078,32 48,33 70.818,34 4.685,35 372.995,36 1.199,37 4.622,38 20.963,39 4.383,40 8.855,41 1.406,42 6.945,43 0.167,44 2.947,45 7.698,46 8.396,47 9.597,48 3.003,49 4.507,50 4.837,51 35.352,52 -0.109,53 0.846,54 2.011,55 2.011,56 0.887,57 1.452,58 4.577,59 0.884,60 1.181,61 33.148,62 33.422,63 8.887,64 8.726,65 5.211,66 50.32,67 1.686,68 5}
{0 CHEMBL1345690,1 31.645,2 7.171,3 16.786,4 3.031,5 1,6 156.834,7 0.983,8 128.228,9 4.531,10 1.776,11 24.167,12 3.296,13 7.79,14 40.827,15 174.485,16 19.153,17 0.909,18 0.448,19 1.091,20 1.777,21 3.463,22 3.463,23 -0.335,24 5.516,25 4.244,26 4.856,27 4.856,28 129.507,29 1.591,30 5,31 192.75,32 37,33 16.786,34 4.651,35 141.516,36 1.075,37 4.345,38 16.495,39 4.087,40 7.233,41 1.191,42 7.366,43 -0.744,44 2.699,45 8.08,46 9.026,47 10.313,48 2.918,49 4.468,50 4.609,51 5.438,52 -0.277,53 0.729,54 1.455,55 1.455,56 0.605,57 0.958,58 4.346,59 0.715,60 0.933,61 26.392,62 26.041,63 7.509,64 7.351,65 4.804,66 37.713,67 0.746,68 5.523}
{0 CHEMBL1410917,1 30.673,2 7.616,3 70.266,4 2.832,5 5,6 128.955,7 0.786,8 100.407,9 4.446,10 1.738,11 18.3,12 2.315,13 9.679,14 37.983,15 128.955,16 16.677,17 0.728,18 0.514,19 1.055,20 1.785,21 1.533,22 1.533,23 -0.175,24 3.84,25 3.192,26 4.546,27 4.546,28 120.622,29 1.614,30 4,31 166.465,32 33,33 70.266,34 4.593,35 39.58,36 1.062,37 4.372,38 11.49,39 3.783,40 6.467,41 1.072,42 4.365,43 -2.424,44 2.306,45 6.851,46 7.606,47 8.817,48 2.665,49 4.257,50 4.564,51 13.321,52 -0.228,53 1.267,54 0.795,55 0.795,56 0.374,57 0.784,58 4.179,59 1.166,60 0.812,61 20.597,62 19.268,63 5.659,64 5.494,65 3.247,66 32.811,67 0.741,68 4.588}
{0 CHEMBL1421,1 45.578,2 13.638,3 92.627,4 3.332,5 7,6 280.347,7 1.578,8 228.043,9 4.913,10 1.911,11 36.186,12 5.069,13 32.957,14 66.923,15 313.566,16 38.483,17 1.429,18 0.941,19 1.459,20 1.898,21 5.178,22 5.178,23 0.114,24 8.224,25 4.841,26 4.372,27 4.372,28 190.749,29 1.659,30 9,31 347.076,32 59,33 92.627,34 5.046,35 357.583,36 1.407,37 4.911,38 23.249,39 4.729,40 11.093,41 1.521,42 11.771,43 0.362,44 3.148,45 7.584,46 8.236,47 9.429,48 3.176,49 4.818,50 5.151,51 53.106,52 0.17,53 0.788,54 1.879,55 1.879,56 1.153,57 1.695,58 4.975,59 0.943,60 1.513,61 40.068,62 37.862,63 10.585,64 10.203,65 5.139,66 59.603,67 1.487,68 5}
{0 CHEMBL14762,1 7.229,2 11.79,3 88.277,4 3.329,5 6,6 237.529,7 1.314,8 184.307,9 4.671,10 1.9,11 29.167,12 4.161,13 24.833,14 59.351,15 257.403,16 27.167,17 1.308,18 0.803,19 1.412,20 1.913,21 3.199,22 3.199,23 -0.084,24 6.999,25 3.925,26 4.656,27 4.656,28 186.665,29 1.812,30 6,31 296.423,32 52,33 88.277,34 4.999,35 151.285,36 1.413,37 4.785,38 18.531,39 4.877,40 9.917,41 1.461,42 14.901,43 -0.598,44 2.874,45 7.44,46 8.147,47 9.355,48 3.138,49 4.764,50 5.061,51 38.665,52 -0.149,53 0.941,54 1.49,55 1.49,56 0.934,57 1.431,58 5.132,59 1.059,60 1.359,61 33.103,62 31.111,63 8.887,64 8.601,65 4.958,66 51.774,67 1.233,68 5}
{0 CHEMBL1529134,1 20.645,2 6.991,3 16.786,4 2.959,5 1,6 132.549,7 0.863,8 108.798,9 4.399,10 1.737,11 21.4,12 2.749,13 5.876,14 36.203,15 150.2,16 15.28,17 0.783,18 0.378,19 0.921,20 1.736,21 3.447,22 3.447,23 -0.339,24 4.627,25 4.208,26 4.855,27 4.855,28 122.856,29 1.444,30 4,31 166.465,32 33,33 16.786,34 4.445,35 123.183,36 0.924,37 4.213,38 15.144,39 3.709,40 6.567,41 1.079,42 5.888,43 -1.254,44 2.583,45 8.088,46 9.043,47 10.327,48 2.72,49 4.231,50 4.491,51 4.035,52 -0.24,53 1.273,54 1.447,55 1.447,56 0.575,57 0.841,58 4.054,59 1.173,60 0.789,61 24.176,62 23.8,63 6.842,64 6.661,65 4.565,66 33.502,67 0.636,68 4.824}
{0 CHEMBL1609550,1 30.359,2 2.734,3 19.91,4 2.739,5 2,6 118.382,7 0.462,8 94.382,9 3.651,10 1.586,11 18.567,12 1.996,13 9.342,14 29.501,15 128.382,16 8.648,17 0.629,18 0.343,19 0.865,20 1.585,21 2.444,22 2.444,23 -0.334,24 3.841,25 3.422,26 4.477,27 4.477,28 111.586,29 1.393,30 4,31 128.382,32 27,33 19.91,34 3.625,35 59.81,36 0.817,37 3.974,38 12.988,39 3.216,40 4.983,41 0.985,42 2.156,43 -2,44 2.418,45 7.196,46 7.929,47 9.144,48 2.654,49 3.476,50 4.127,51 10.743,52 -0.366,53 0.538,54 1.035,55 1.035,56 0.343,57 0.671,58 3.351,59 1.03,60 0.444,61 21.5,62 20.427,63 5.494,64 5.294,65 3.607,66 27.662,67 0.606,68 4.481}
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{0 CHEMBL1614725,1 106.483,2 15.432,3 116.372,4 3.401,5 5,6 318.304,7 1.751,8 261.575,9 4.959,10 1.942,11 42.429,12 5.57,13 31.697,14 72.065,15 346.304,16 33.79,17 1.337,18 1.125,19 1.361,20 1.942,21 6.051,22 6.051,23 0.042,24 9.296,25 5.135,26 4.631,27 4.631,28 228.374,29 1.887,30 10,31 376.569,32 63,33 71.492,34 5.195,35 383.108,36 1.442,37 4.954,38 25.696,39 4.973,40 11.788,41 1.588,42 13.925,43 1.019,44 3.148,45 8.072,46 8.885,47 10.078,48 3.312,49 4.985,50 5.221,51 44.351,52 -0.01,53 0.78,54 2.212,55 2.212,56 1.089,57 1.952,58 5.195,59 0.817,60 1.39,61 42.199,62 41.55,63 11.397,64 11.11,65 5.322,66 64.956,67 2.079,68 5}
{0 CHEMBL162,1 20.461,2 29.533,3 39.82,4 3.461,5 4,6 301.51,7 3.117,8 227.775,9 5.585,10 2.019,11 36.2,12 5.573,13 28.268,14 68.189,15 323.51,16 56.948,17 1.517,18 0.917,19 1.553,20 2.003,21 7.654,22 7.654,23 -0.08,24 9.887,25 5.844,26 5.131,27 5.131,28 178.319,29 1.944,30 5,31 361.775,32 61,33 39.82,34 5.767,35 145.816,36 1.55,37 5.021,38 25.55,39 5.314,40 12.067,41 1.634,42 24.601,43 1.064,44 3.221,45 8.689,46 9.702,47 10.988,48 3.27,49 5.533,50 5.337,51 43.083,52 -0.068,53 1.274,54 2.236,55 2.236,56 1.195,57 2.159,58 5.575,59 0.945,60 1.54,61 41.762,62 40.025,63 12.073,64 11.765,65 6.05,66 61.109,67 1.627,68 6.921}
{0 CHEMBL1642655,1 21.361,2 6.465,3 54.767,4 3.153,5 5,6 210.529,7 1.036,8 174.476,9 4.484,10 1.808,11 27.967,12 3.965,13 19.908,14 54.023,15 226.794,16 15.163,17 1.308,18 0.747,19 1.308,20 1.816,21 4.626,22 4.626,23 0.224,24 6.654,25 4.53,26 4.517,27 4.517,28 200.785,29 1.633,30 4,31 268.078,32 48,33 54.767,34 4.466,35 170.38,36 1.266,37 4.664,38 19.021,39 4.262,40 9.633,41 1.522,42 5.788,43 -0.739,44 2.874,45 8.011,46 8.933,47 10.154,48 2.899,49 4.275,50 4.893,51 21.574,52 0.288,53 3.531,54 1.675,55 1.675,56 0.934,57 1.405,58 4.465,59 2.727,60 1.412,61 32.574,62 31.036,63 8.678,64 8.338,65 4.662,66 47.905,67 1.196,68 7.854}
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{0 CHEMBL1642657,1 14.029,2 6.631,3 36.083,4 3.15,5 3,6 220.162,7 1.082,8 182.108,9 4.514,10 1.804,11 29.767,12 4.346,13 14.752,14 53.365,15 239.814,16 16.102,17 1.244,18 0.674,19 1.308,20 1.794,21 4.636,22 4.636,23 0.202,24 7.539,25 4.531,26 4.613,27 4.613,28 175.86,29 1.627,30 5,31 268.078,32 48,33 36.083,34 4.478,35 188.454,36 1.277,37 4.601,38 20.103,39 4.262,40 9.267,41 1.289,42 5.296,43 -0.314,44 2.896,45 8.205,46 9.192,47 10.443,48 3.026,49 4.302,50 4.866,51 20.546,52 0.162,53 1.494,54 1.717,55 1.717,56 0.934,57 1.344,58 4.431,59 1.46,60 1.194,61 34.12,62 32.61,63 8.994,64 8.612,65 5.12,66 48.433,67 1.109,68 7.721}
{0 CHEMBL1642669,1 72.184,2 5.114,3 118.05,4 3.17,5 6,6 151.26,7 0.796,8 132.505,9 4.327,10 1.661,11 22.833,12 2.323,13 19.507,14 40.069,15 158.015,16 13.952,17 0.945,18 0.565,19 1.167,20 1.625,21 2.569,22 2.569,23 0.178,24 4.044,25 3.69,26 4.554,27 4.554,28 198.194,29 1.571,30 7,31 179.525,32 35,33 118.05,34 4.391,35 114.24,36 1.173,37 4.34,38 14.231,39 4.144,40 6.85,41 1.358,42 5.453,43 -1.571,44 2.64,45 7.27,46 7.996,47 9.199,48 2.762,49 4.208,50 4.399,51 30.92,52 0.267,53 1.157,54 1.114,55 1.114,56 0.708,57 0.873,58 4.364,59 1.11,60 0.948,61 22.989,62 22.665,63 5.992,64 5.837,65 4.365,66 35.8,67 0.807,68 4.724}
{0 CHEMBL1688215,1 38.698,2 2.592,3 132.691,4 2.838,5 6,6 112.382,7 0.478,8 93.163,9 3.724,10 1.737,11 17.3,12 1.712,13 6.325,14 30.82,15 124.382,16 6.54,17 0.596,18 0.487,19 0.901,20 1.684,21 2.508,22 2.508,23 0.111,24 3.128,25 3.472,26 4.553,27 4.553,28 194.53,29 1.311,30 5,31 128.382,32 27,33 132.691,34 3.699,35 83.904,36 0.886,37 4.029,38 11.548,39 3.184,40 4.683,41 0.965,42 1.775,43 -2.298,44 2.265,45 7.304,46 8.076,47 9.31,48 2.519,49 3.441,50 4.219,51 5,52 0.207,53 1.429,54 1.059,55 1.059,56 0.291,57 0.773,58 3.456,59 1.336,60 0.62,61 18.557,62 18.182,63 4.983,64 4.902,65 4.101,66 27.378,67 0.719,68 5.245}
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{0 CHEMBL1721885,1 44.53,2 15.142,3 70.891,4 3.3,5 4,6 288.811,7 1.624,8 230.856,9 5.032,10 1.871,11 36.281,12 5.279,13 27.43,14 67.153,15 313.566,16 33.085,17 1.409,18 0.935,19 1.429,20 1.861,21 5.55,22 5.55,23 0.068,24 8.676,25 4.912,26 4.619,27 4.619,28 168.637,29 1.823,30 8,31 347.076,32 59,33 55.931,34 5.189,35 218.907,36 1.418,37 4.924,38 22.41,39 4.921,40 10.96,41 1.582,42 13.339,43 0.149,44 3.111,45 8.018,46 8.884,47 10.122,48 3.202,49 4.95,50 5.19,51 32.432,52 0.041,53 1.377,54 1.917,55 1.917,56 1.094,57 1.768,58 5.134,59 1.213,60 1.382,61 37.915,62 36.65,63 10.421,64 10.17,65 4.967,66 59.832,67 1.484,68 5}
{0 CHEMBL1765740,1 32.775,2 21.647,3 138.94,4 3.495,5 8,6 325.625,7 2.048,8 244.59,9 5.179,10 1.986,11 37.967,12 5.732,13 28.18,14 77.593,15 363.418,16 45.187,17 1.463,18 1.087,19 1.57,20 2.002,21 5.44,22 5.44,23 -0.066,24 10.35,25 4.941,26 4.558,27 4.558,28 235.833,29 1.83,30 8,31 413.947,32 68,33 138.94,34 5.522,35 424.721,36 1.551,37 5.103,38 24.784,39 5.324,40 12.383,41 1.645,42 24.854,43 0.904,44 3.174,45 7.981,46 8.724,47 9.954,48 3.267,49 5.268,50 5.468,51 44.122,52 -0.064,53 0.521,54 1.897,55 1.897,56 1.184,57 2.13,58 5.609,59 0.524,60 1.513,61 43.398,62 40.734,63 12.24,64 11.961,65 5.305,66 67.629,67 1.749,68 4.56}
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{0 CHEMBL1957085,1 52.973,2 4.925,3 51.582,4 2.942,5 3,6 167.157,7 0.767,8 139.773,9 4.252,10 1.715,11 24.1,12 3.239,13 12.058,14 42.614,15 176.666,16 11.757,17 1.107,18 0.544,19 1.107,20 1.676,21 2.363,22 2.363,23 0.04,24 4.964,25 3.575,26 4.469,27 4.469,28 175.358,29 1.542,30 6,31 199.421,32 38,33 51.582,34 4.233,35 152.989,36 1.062,37 4.371,38 15.769,39 4.051,40 7.15,41 1.331,42 5.397,43 -1.39,44 2.854,45 7.461,46 8.187,47 9.442,48 2.854,49 4.067,50 4.509,51 14.3,52 0.003,53 0.588,54 1,55 1,56 0.886,57 0.907,58 4.226,59 1.05,60 1.181,61 25.949,62 25.369,63 6.888,64 6.729,65 3.758,66 38.589,67 0.823,68 5}
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{0 CHEMBL521851,1 43.708,2 15.547,3 74.664,4 3.454,5 7,6 293.386,7 1.937,8 235.802,9 4.99,10 1.964,11 38.233,12 6.041,13 24.599,14 70.108,15 320.405,16 33.878,17 1.429,18 1.053,19 1.554,20 1.959,21 5.727,22 5.727,23 -0.072,24 10.283,25 4.957,26 4.743,27 4.743,28 169.539,29 1.82,30 9,31 369.16,32 62,33 74.664,34 5.161,35 393.118,36 1.508,37 5.038,38 25.347,39 5.064,40 11.45,41 1.619,42 17.095,43 1,44 3.111,45 8.101,46 8.945,47 10.162,48 3.264,49 4.978,50 5.279,51 35.664,52 -0.161,53 0.545,54 1.954,55 1.954,56 1.153,57 2.06,58 5.284,59 0.802,60 1.513,61 42.313,62 39.936,63 11.704,64 11.235,65 5.474,66 62.683,67 1.735,68 5}
{0 CHEMBL522892,1 46.184,2 8.334,3 105.688,4 3.213,5 6,6 229.928,7 1.369,8 195.12,9 4.683,10 1.915,11 30.881,12 4.013,13 24.416,14 56.861,15 253.438,16 19.966,17 1.315,18 0.886,19 1.402,20 1.918,21 5.143,22 5.143,23 0.064,24 6.802,25 4.921,26 4.69,27 4.69,28 199.488,29 1.715,30 7,31 282.193,32 50,33 90.728,34 4.765,35 299.019,36 1.376,37 4.768,38 20.45,39 4.466,40 9.243,41 1.418,42 9.759,43 -0.11,44 3.081,45 7.989,46 8.82,47 10.062,48 3.111,49 4.553,50 5.047,51 38.408,52 0.168,53 0.604,54 1.774,55 1.774,56 0.997,57 1.774,58 4.715,59 0.62,60 1.209,61 33.517,62 32.441,63 9.385,64 9.199,65 5.046,66 50.52,67 1.433,68 5}
{0 CHEMBL525191,1 94.609,2 11.768,3 48.473,4 3.116,5 4,6 201.72,7 1.135,8 159.72,9 4.539,10 1.851,11 26.033,12 3.802,13 10.747,14 48.318,15 215.329,16 21.549,17 1.107,18 0.648,19 1.189,20 1.839,21 3.721,22 3.721,23 -0.127,24 6.079,25 4.195,26 4.565,27 4.565,28 151.612,29 1.741,30 5,31 233.329,32 43,33 48.473,34 4.842,35 132.364,36 1.214,37 4.534,38 17.601,39 4.589,40 7.617,41 1.36,42 10.679,43 -0.68,44 2.755,45 7.807,46 8.627,47 9.889,48 2.854,49 4.612,50 4.805,51 8.152,52 -0.091,53 1.112,54 1.451,55 1.451,56 0.886,57 1.235,58 4.841,59 1.092,60 1.16,61 29.262,62 28.203,63 8.126,64 7.983,65 4.533,66 43.247,67 1.043,68 5}
{0 CHEMBL535,1 44.53,2 13.7,3 70.891,4 3.407,5 4,6 259.437,7 1.535,8 203.264,9 4.949,10 1.84,11 32.648,12 4.992,13 25.99,14 63.734,15 284.192,16 28.873,17 1.283,18 0.89,19 1.558,20 1.836,21 5.105,22 5.105,23 0.193,24 8.086,25 4.871,26 4.619,27 4.619,28 177.103,29 1.823,30 6,31 325.212,32 56,33 55.931,34 5.053,35 84.801,36 1.575,37 4.852,38 20.383,39 4.825,40 11.26,41 1.584,42 12.854,43 -0.277,44 3.093,45 7.96,46 8.85,47 10.084,48 3.202,49 4.824,50 5.08,51 30.71,52 0.178,53 1.288,54 1.823,55 1.823,56 0.998,57 1.638,58 5.057,59 1.226,60 1.258,61 36.006,62 34.22,63 9.741,64 9.393,65 4.966,66 56.178,67 1.392,68 5}
{0 CHEMBL553,1 69.775,2 12.731,3 51.582,4 3.285,5 3,6 229.403,7 1.309,8 189.959,9 4.756,10 1.79,11 31.467,12 4.677,13 25.355,14 58.485,15 254.913,16 26.398,17 1.351,18 0.714,19 1.395,20 1.778,21 3.444,22 3.444,23 -0.066,24 7.197,25 3.977,26 4.576,27 4.576,28 221.02,29 1.767,30 7,31 296.423,32 52,33 51.582,34 5.008,35 246.825,36 1.371,37 4.716,38 20.11,39 4.868,40 9.983,41 1.416,42 12.892,43 -0.107,44 3.071,45 7.478,46 8.162,47 9.415,48 3.135,49 4.81,50 4.845,51 33.398,52 -0.046,53 1.129,54 1.618,55 1.618,56 1.075,57 1.236,58 5.089,59 1.258,60 1.367,61 34.449,62 33.191,63 8.897,64 8.657,65 4.525,66 52.451,67 1.069,68 5}
{0 CHEMBL554,1 78.847,2 15.491,3 84.553,4 3.508,5 4,6 341.156,7 1.655,8 263.751,9 4.952,10 1.952,11 42.533,12 6.42,13 28.108,14 74.017,15 384.175,16 34.463,17 1.43,18 1.011,19 1.491,20 2.009,21 6.74,22 6.74,23 0.021,24 10.989,25 5.292,26 4.622,27 4.622,28 253.756,29 1.934,30 9,31 398.93,32 66,33 69.593,34 5.172,35 520.673,36 1.466,37 4.958,38 27.822,39 4.938,40 12.102,41 1.652,42 14.109,43 1.314,44 3.237,45 8.009,46 8.711,47 9.937,48 3.329,49 4.986,50 5.243,51 40.3,52 0.078,53 0.899,54 2.241,55 2.241,56 1.189,57 1.929,58 5.12,59 1.046,60 1.436,61 46.421,62 44.664,63 12.42,64 11.923,65 5.406,66 67.232,67 1.617,68 5}
{0 CHEMBL558752,1 172.489,2 9.427,3 176.813,4 3.37,5 6,6 248.786,7 1.738,8 205.977,9 4.741,10 1.947,11 40.552,12 4.463,13 25.984,14 61.559,15 281.315,16 20.869,17 1.222,18 1.298,19 1.394,20 1.935,21 6.508,22 6.508,23 -0.004,24 7.528,25 5.256,26 4.63,27 4.63,28 244.806,29 1.734,30 11,31 303.58,32 53,33 87.052,34 4.941,35 366.296,36 1.456,37 4.815,38 24.38,39 4.679,40 9.99,41 1.566,42 8.361,43 1.158,44 3.028,45 8.036,46 8.815,47 10.007,48 3.248,49 4.747,50 4.965,51 34.25,52 0.146,53 0.642,54 2.206,55 2.206,56 0.989,57 2.085,58 4.874,59 0.571,60 1.181,61 36.205,62 37.357,63 10.358,64 10.267,65 5.498,66 56.083,67 2.602,68 5}
{0 CHEMBL572878,1 45.23,2 14.386,3 109.167,4 3.302,5 8,6 290.755,7 1.694,8 226.535,9 4.828,10 1.869,11 35.733,12 5.246,13 36.777,14 69.268,15 314.265,16 36.591,17 1.429,18 1.019,19 1.448,20 1.851,21 6.016,22 6.016,23 -0.104,24 8.349,25 5.019,26 4.296,27 4.296,28 216.184,29 1.783,30 8,31 361.775,32 61,33 109.167,34 5.098,35 349.914,36 1.427,37 4.955,38 23.779,39 4.879,40 11.417,41 1.579,42 15.27,43 0.294,44 3.111,45 7.715,46 8.384,47 9.574,48 3.189,49 4.877,50 5.18,51 58.816,52 -0.135,53 0.55,54 2.176,55 2.176,56 1.153,57 1.783,58 5.109,59 0.802,60 1.513,61 40.762,62 38.341,63 11.12,64 10.765,65 5.177,66 61.054,67 1.582,68 5}
{0 CHEMBL572881,1 42.212,2 9.43,3 87.603,4 3.289,5 5,6 234.623,7 1.179,8 183.694,9 4.617,10 1.925,11 29.267,12 4.319,13 27.538,14 57.438,15 257.029,16 19.533,17 1.308,18 0.782,19 1.325,20 1.925,21 3.961,22 3.961,23 0.187,24 7.308,25 4.478,26 4.62,27 4.62,28 225.044,29 1.837,30 6,31 289.294,32 51,33 87.603,34 4.719,35 258.362,36 1.316,37 4.722,38 19.865,39 4.591,40 9.65,41 1.464,42 10.85,43 -0.424,44 2.874,45 8.095,46 9.047,47 10.313,48 3.091,49 4.517,50 5.002,51 44.521,52 0.152,53 1.683,54 1.563,55 1.563,56 0.934,57 1.538,58 4.81,59 1.328,60 1.282,61 34.336,62 32.563,63 9.2,64 8.896,65 4.891,66 50.789,67 1.248,68 5}
{0 CHEMBL573339,1 31.91,2 8.996,3 53.481,4 3.135,5 4,6 190.968,7 1.193,8 158.561,9 4.563,10 1.942,11 26.9,12 3.599,13 12.611,14 47.113,15 206.477,16 17.722,17 1.101,18 0.64,19 1.131,20 1.943,21 4.001,22 4.001,23 -0.143,24 5.833,25 4.335,26 4.779,27 4.779,28 154.584,29 1.738,30 7,31 226.477,32 42,33 53.481,34 4.774,35 226.299,36 1.14,37 4.567,38 18.329,39 4.659,40 7.667,41 1.235,42 11.593,43 -0.511,44 2.922,45 7.795,46 8.596,47 9.862,48 2.94,49 4.608,50 4.81,51 16.024,52 -0.239,53 0.846,54 1.552,55 1.552,56 0.883,57 1.241,58 4.872,59 0.695,60 1.103,61 28.955,62 28.391,63 8.311,64 8.209,65 4.929,66 42.691,67 1.055,68 5}
{0 CHEMBL574738,1 87.876,2 14.917,3 138.732,4 3.484,5 7,6 319.709,7 2.16,8 255.24,9 5.069,10 1.971,11 43.276,12 5.62,13 41.64,14 78.324,15 352.928,16 38.593,17 1.429,18 1.234,19 1.541,20 1.967,21 6.562,22 6.562,23 -0.007,24 9.026,25 5.2,26 4.561,27 4.561,28 244.442,29 1.903,30 12,31 413.947,32 68,33 93.852,34 5.299,35 608.584,36 1.551,37 5.079,38 26.208,39 4.978,40 12.562,41 1.606,42 12.838,43 0.643,44 3.268,45 7.8,46 8.47,47 9.69,48 3.302,49 5.071,50 5.307,51 62.867,52 -0.058,53 1.716,54 2.232,55 2.232,56 1.153,57 2.117,58 5.224,59 1.496,60 1.464,61 43.66,62 42.578,63 11.966,64 11.738,65 5.335,66 69.392,67 2.182,68 5}
{0 CHEMBL576982,1 39.087,2 13.99,3 76.814,4 3.615,5 6,6 343.176,7 1.571,8 281.202,9 4.877,10 1.969,11 43.333,12 6.645,13 30.283,14 81.145,15 373.441,16 29.949,17 1.444,18 1.104,19 1.569,20 1.964,21 6.955,22 6.955,23 0.114,24 11.057,25 5.341,26 4.749,27 4.749,28 237.127,29 1.947,30 9,31 444.235,32 72,33 76.814,34 5.007,35 406.175,36 1.547,37 5.118,38 28.579,39 4.957,40 13.883,41 1.672,42 14.352,43 1.443,44 3.308,45 8.227,46 9.094,47 10.322,48 3.377,49 4.826,50 5.359,51 41.564,52 -0.075,53 2.085,54 2.351,55 2.351,56 1.294,57 2.107,58 5.158,59 1.278,60 1.483,61 48.398,62 46.023,63 13.161,64 12.717,65 5.355,66 72.483,67 1.806,68 5}
{0 CHEMBL601719,1 61.794,2 12.149,3 101.093,4 3.206,5 5,6 260.913,7 1.357,8 211.298,9 4.725,10 1.934,11 32.852,12 4.5,13 23.489,14 59.081,15 269.668,16 27.552,17 1.198,18 0.843,19 1.429,20 1.932,21 4.921,22 4.921,23 0.015,24 7.839,25 4.634,26 4.492,27 4.492,28 193.06,29 1.637,30 6,31 296.423,32 52,33 86.133,34 4.901,35 310.356,36 1.376,37 4.779,38 21.013,39 4.731,40 9.445,41 1.503,42 11.935,43 0.224,44 2.939,45 7.721,46 8.451,47 9.669,48 3.057,49 4.692,50 5.103,51 28.517,52 0.019,53 0.917,54 1.869,55 1.869,56 0.85,57 1.546,58 4.963,59 0.977,60 1.17,61 35.75,62 34.128,63 9.662,64 9.412,65 4.891,66 52.832,67 1.327,68 5}
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{0 CHEMBL91829,1 24.811,2 26.839,3 24.933,4 3.561,5 4,6 285.549,7 2.715,8 227.108,9 5.455,10 1.957,11 36.8,12 5.704,13 21.829,14 70.604,15 313.059,16 56.723,17 1.416,18 0.931,19 1.546,20 1.961,21 5.936,22 5.936,23 0.024,24 9.495,25 5.217,26 4.825,27 4.825,28 180.661,29 1.841,30 5,31 376.569,32 63,33 24.933,34 5.746,35 97.343,36 1.61,37 5.002,38 25.224,39 5.405,40 12.017,41 1.661,42 24.444,43 1.071,44 3.202,45 8.302,46 9.205,47 10.478,48 3.311,49 5.519,50 5.269,51 21.51,52 0.076,53 1.448,54 1.996,55 1.996,56 1.187,57 1.917,58 5.634,59 1.267,60 1.417,61 42.523,62 40.552,63 11.864,64 11.56,65 5.399,66 62.992,67 1.576,68 5}
{0 CHEMBL939,1 82.336,2 12.641,3 69.666,4 3.241,5 4,6 262.591,7 1.383,8 205.859,9 4.855,10 1.946,11 34.6,12 4.964,13 28.856,14 62.472,15 287.22,16 29.541,17 1.259,18 0.856,19 1.417,20 1.945,21 4.444,22 4.444,23 0.039,24 8.032,25 4.505,26 4.575,27 4.575,28 177.128,29 1.75,30 8,31 317.975,32 55,33 54.706,34 5.037,35 375.27,36 1.376,37 4.851,38 21.807,39 4.743,40 10.136,41 1.407,42 11.646,43 0.34,44 3.108,45 7.542,46 8.196,47 9.447,48 3.111,49 4.822,50 5.085,51 41.089,52 0.053,53 0.862,54 1.675,55 1.675,56 1.021,57 1.556,58 4.957,59 0.962,60 1.258,61 36.557,62 35.236,63 9.925,64 9.718,65 5.011,66 55.945,67 1.327,68 5}
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