@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2912

@attribute molecule_id {CHEMBL154259,CHEMBL156217,CHEMBL156756,CHEMBL156990,CHEMBL157426,CHEMBL157468,CHEMBL157669,CHEMBL157723,CHEMBL157743,CHEMBL157800,CHEMBL157949,CHEMBL157951,CHEMBL158023,CHEMBL158136,CHEMBL160174,CHEMBL160384,CHEMBL2042530,CHEMBL280097,CHEMBL284277,CHEMBL284483,CHEMBL284858,CHEMBL286464,CHEMBL286566,CHEMBL287822,CHEMBL288461,CHEMBL288742,CHEMBL289398,CHEMBL289639,CHEMBL290684,CHEMBL291059,CHEMBL346040,CHEMBL346360,CHEMBL347030,CHEMBL348608,CHEMBL350676,CHEMBL35524,CHEMBL35929,CHEMBL36690,CHEMBL37079,CHEMBL37273,CHEMBL37278,CHEMBL37325,CHEMBL37650,CHEMBL39386,CHEMBL39406,CHEMBL39940}
@attribute CATS2D_06_DL numeric
@attribute CATS2D_04_NL numeric
@attribute GATS3s numeric
@attribute MATS1i numeric
@attribute GATS1i numeric
@attribute ARR numeric
@attribute Mv numeric
@attribute CATS2D_05_NL numeric
@attribute SpMAD_EA.bo. numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_03_NL numeric
@attribute MATS1p numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.013 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.030 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.040 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_NN numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_03_PN numeric
@attribute CATS2D_04_AA numeric
@attribute pXC50 numeric

@data
{1 2,3 0.734,4 -0.195,5 1.447,6 0.333,7 0.642,9 1.834,10 1,12 -0.037,13 1.736,14 10.267,15 4.476,16 20.035,17 117.267,18 8.359,19 4.1,20 4.21,21 3.756,22 3.63,23 5.172,24 3.612,25 4.68,26 4.851,27 4.165,28 4.066,29 5.74,30 4.018,31 4.959,32 5.155,33 4.419,34 4.286,35 6.015,36 4.217,37 5.029,38 5.206,39 4.583,40 4.313,41 6.262,42 4.232,43 4.983,44 5.182,45 4.237,46 4.24,47 5.985,48 4.118,49 4.977,50 5.182,51 4.179,52 4.183,53 6,54 4.061,55 4.923,56 5.128,57 4.11,58 4.097,59 5.987,60 3.996,61 4.799,62 5.011,63 4.046,64 4.055,65 5.785,66 3.961,67 0.102,68 0.783,69 9.865,70 4.88,71 12.518,72 6.155,73 0.46,74 1.272,75 22.139,76 8.716,77 37.157,78 11.27,79 0.553,80 1.552,81 33.407,82 12.025,83 50.338,84 15.741,85 0.987,86 1.571,87 46.783,88 12.763,89 92.225,90 15.961,91 0.635,92 1.444,93 42.969,94 12.919,95 66.154,96 16.539,97 0.744,98 1.348,99 48.229,100 13.037,101 79.495,102 16.306,103 0.972,104 1.298,105 45.892,106 11.328,107 86.056,108 14.384,109 0.392,110 1.319,111 28.408,112 10.178,113 39.621,114 13.612,115 29,116 47,117 0.289,118 0.637,119 0.821,120 0.85,121 0.875,122 0.893,123 3.441,124 0.995,125 -5.33,126 -5.21,127 -4.87,129 38.9,130 1,131 5,135 3,136 1,140 4,141 2,143 1,146 1,147 2,148 1,156 8,158 2,159 4,161 2,163 15,168 1,170 3,174 14,177 2,178 6.301}
{0 CHEMBL156217,1 5,2 3,3 0.684,4 -0.123,5 1.253,6 0.533,7 0.681,8 2,9 1.99,10 4,11 2,12 0.037,13 1.756,14 9.222,15 2.691,16 7.242,17 104.731,18 9.757,19 3.919,20 4.02,21 3.705,22 3.485,23 5.111,24 3.482,25 4.427,26 4.569,27 4.134,28 3.913,29 5.669,30 3.882,31 4.712,32 4.881,33 4.245,34 4.101,35 5.884,36 4.039,37 4.801,38 5.001,39 4.152,40 4.066,41 5.917,42 3.982,43 4.725,44 4.948,45 4.104,46 3.976,47 5.746,48 3.865,49 4.66,50 4.87,51 3.986,52 3.865,53 5.776,54 3.758,55 4.56,56 4.779,57 3.963,58 3.744,59 5.703,60 3.671,61 4.351,62 4.533,63 4.22,64 3.698,65 5.61,66 3.66,67 0.126,68 0.655,69 5.513,70 3.736,71 17.437,72 4.112,73 0.37,74 1.074,75 11.889,76 6.364,77 45.782,78 7.349,79 0.446,80 1.348,81 26.248,82 9.379,83 47.295,84 11.021,85 0.587,86 1.433,87 26.324,88 9.766,89 56.039,90 11.705,91 0.429,92 1.271,93 25.368,94 9.893,95 50.082,96 12.277,97 0.513,98 1.129,99 40,100 10.01,101 69.377,102 11.376,103 0.632,104 1.032,105 32.767,106 8.098,107 71.159,108 9.407,109 0.32,110 0.899,111 21.469,112 6.704,113 31.201,114 7.669,115 18,116 43,117 0.301,118 0.722,119 0.867,120 0.913,121 0.913,122 0.913,123 3.341,124 0.925,125 -4.36,126 -4.29,127 -4.05,128 1,129 43.2,131 1,135 2,136 1,139 5,140 4,141 1,143 1,146 1,147 2,148 1,154 1,155 1,156 10,157 1,158 1,159 2,161 3,162 1,163 16,164 2,168 3,170 3,172 2,174 15,177 2,178 6.018}
{0 CHEMBL156756,1 3,3 0.555,4 -0.125,5 1.095,6 0.457,7 0.654,9 1.928,10 1,12 -0.045,13 1.806,14 10.469,15 3.485,16 12.144,17 112.599,18 8.424,19 4.1,20 4.206,21 3.747,22 3.585,23 5.301,24 3.611,25 4.665,26 4.82,27 4.194,28 3.984,29 6.256,30 4,31 4.879,32 5.056,33 4.27,34 4.17,35 6.121,36 4.162,37 4.998,38 5.183,39 4.28,40 4.184,41 6.317,42 4.176,43 4.985,44 5.191,45 4.154,46 4.124,47 6.234,48 4.097,49 4.934,50 5.143,51 4.135,52 4.044,53 6.167,54 4.027,55 4.963,56 5.172,57 4.175,58 3.997,59 6.515,60 3.994,61 4.788,62 4.987,63 4.064,64 3.984,65 6.038,66 3.963,67 0.236,68 0.996,69 8.665,70 4.827,71 36.17,72 5.327,73 1.134,74 1.9,75 19.905,76 8.107,77 163.984,78 9.211,79 0.777,80 1.844,81 25.126,82 10.336,83 77.959,84 12.622,85 1.044,86 2.093,87 29.334,88 11.158,89 107.188,90 12.822,91 1.06,92 2.041,93 31.329,94 11.643,95 139.936,96 13.485,97 0.946,98 1.868,99 30.298,100 11.131,101 124.794,102 13.409,103 1.945,104 1.767,105 34.68,106 10.388,107 270.231,108 12.063,109 0.901,110 1.713,111 24.894,112 9.327,113 100.008,114 11.318,115 43,116 51,117 0.299,118 0.688,119 0.851,120 0.893,121 0.893,122 0.893,123 3.503,124 0.863,125 -5.01,126 -4.91,127 -4.6,129 41.5,130 1,131 1,135 3,136 1,138 1,139 5,140 5,143 1,146 1,147 2,148 1,156 12,158 2,159 4,161 2,163 16,168 5,170 3,174 15,177 2,178 4.456}
{0 CHEMBL156990,1 3,3 0.705,4 -0.196,5 1.452,6 0.355,7 0.612,9 1.832,10 1,12 -0.05,13 1.547,14 10.286,15 3.147,16 9.905,17 107.657,18 7.084,19 4.089,20 4.211,21 3.612,22 3.583,23 5.128,24 3.566,25 4.667,26 4.852,27 3.969,28 4.005,29 5.687,30 3.957,31 4.941,32 5.158,33 4.096,34 4.187,35 5.944,36 4.114,37 4.991,38 5.212,39 4.019,40 4.178,41 6.011,42 4.087,43 4.95,44 5.188,45 3.844,46 4.113,47 5.847,48 3.991,49 4.938,50 5.188,51 3.812,52 4.034,53 5.827,54 3.921,55 4.888,56 5.134,57 3.816,58 3.991,59 5.823,60 3.898,61 4.786,62 5.012,63 3.817,64 3.988,65 5.728,66 3.892,67 0.038,68 0.804,69 12.022,70 4.918,71 10.267,72 6.721,73 0.365,74 1.302,75 23.357,76 8.479,77 32.574,78 11.83,79 0.391,80 1.605,81 31.6,82 11.083,83 48.251,84 15.948,85 0.496,86 1.644,87 33.626,88 11.19,89 53.993,90 16.135,91 0.322,92 1.52,93 32.415,94 11.328,95 45.448,96 16.38,97 0.388,98 1.429,99 32.91,100 10.89,101 52.182,102 15.79,103 0.592,104 1.367,105 31.774,106 9.734,107 57.885,108 14.162,109 0.225,110 1.346,111 27.074,112 9.411,113 33.342,114 13.745,115 13,116 43,117 0.257,118 0.625,119 0.821,120 0.85,121 0.875,122 0.893,123 3.375,124 0.965,125 -4.36,126 -4.29,127 -4.05,129 38.9,130 1,131 5,135 3,136 1,139 2,140 4,143 1,146 1,147 2,148 1,156 12,158 2,159 4,161 2,163 16,168 5,170 3,174 15,177 2,178 5.886}
{0 CHEMBL157426,1 5,2 3,3 0.537,4 -0.094,5 1.033,6 0.485,7 0.672,8 2,9 1.972,10 4,11 2,12 0.029,13 1.864,14 9.9,15 2.885,16 8.323,17 103.082,18 8.902,19 3.999,20 4.099,21 3.682,22 3.492,23 5.265,24 3.531,25 4.544,26 4.684,27 4.149,28 3.909,29 6.245,30 3.935,31 4.782,32 4.948,33 4.217,34 4.105,35 6.082,36 4.102,37 4.93,38 5.121,39 4.211,40 4.105,41 6.264,42 4.098,43 4.895,44 5.11,45 4.074,46 4.006,47 6.168,48 3.987,49 4.803,50 5.007,51 4.038,52 3.872,53 6.137,54 3.88,55 4.813,56 5.02,57 4.046,58 3.762,59 6.573,60 3.792,61 4.543,62 4.755,63 3.828,64 3.673,65 5.901,66 3.684,67 0.295,68 0.929,69 6.744,70 4.16,71 50.442,72 4.2,73 1.071,74 1.813,75 14.879,76 7.048,77 177.639,78 7.407,79 0.783,80 1.756,81 19.867,82 9.333,83 95.228,84 10.854,85 1.119,86 1.982,87 25.787,88 10.367,89 135.649,90 11.632,91 1.151,92 1.884,93 28.269,94 10.592,95 166.649,96 12.19,97 1.054,98 1.661,99 25.806,100 9.509,101 166.039,102 10.937,103 1.974,104 1.502,105 30.077,106 8.499,107 338.908,108 9.224,109 1.011,110 1.286,111 20.815,112 6.682,113 129.737,114 7.647,115 41,116 49,117 0.316,118 0.718,119 0.853,120 0.902,121 0.902,122 0.902,123 3.441,124 0.827,125 -4.58,126 -4.5,127 -4.24,129 42.6,131 1,135 2,136 1,138 1,139 5,140 5,143 1,146 1,147 2,148 1,154 1,155 1,156 12,157 1,158 1,159 2,161 3,162 1,163 16,164 2,168 3,170 3,172 2,174 15,177 2,178 6.658}
{0 CHEMBL157468,1 6,2 3,3 0.653,4 -0.113,5 1.297,6 0.447,7 0.633,8 3,9 1.891,10 4,11 2,12 0.009,13 1.554,14 12.176,15 4.115,16 16.93,17 129.216,18 7.429,19 4.237,20 4.348,21 3.797,22 3.761,23 5.337,24 3.751,25 4.788,26 4.951,27 4.16,28 4.184,29 5.894,30 4.145,31 5.079,32 5.277,33 4.299,34 4.362,35 6.111,36 4.3,37 5.171,38 5.379,39 4.269,40 4.354,41 6.235,42 4.281,43 5.142,44 5.36,45 4.15,46 4.333,47 6.078,48 4.241,49 5.177,50 5.398,51 4.16,52 4.334,53 6.184,54 4.247,55 5.177,56 5.404,57 4.205,58 4.349,59 6.23,60 4.267,61 5.128,62 5.349,63 4.194,64 4.326,65 6.191,66 4.245,67 0.075,68 0.905,69 12.887,70 5.72,71 15.222,72 7.285,73 0.379,74 1.492,75 24.55,76 9.812,77 47.571,78 12.899,79 0.39,80 1.878,81 34.535,82 13.219,83 51.55,84 18.042,85 0.789,86 1.967,87 39.553,88 13.697,89 73.252,90 18.653,91 0.468,92 1.873,93 38.596,94 14.077,95 54.723,96 19.074,97 0.627,98 1.878,99 41.155,100 14.431,101 88.995,102 19.289,103 0.749,104 1.909,105 41.253,106 14.213,107 91.013,108 19.366,109 0.416,110 1.872,111 37.972,112 13.799,113 68.086,114 18.928,115 11,116 53,117 0.248,118 0.627,119 0.808,120 0.857,121 0.879,122 0.89,123 3.561,124 0.921,125 -4.71,126 -4.62,127 -4.34,129 41.9,131 5,135 3,136 1,139 6,140 5,141 1,143 1,146 1,147 2,148 1,154 1,155 1,156 16,157 1,158 1,159 5,161 3,162 1,163 19,164 1,168 7,169 1,170 3,172 1,174 15,177 3,178 8.046}
{0 CHEMBL157669,1 3,3 0.711,4 -0.19,5 1.42,6 0.344,7 0.631,9 1.835,10 1,12 -0.035,13 1.661,14 10.31,15 3.896,16 15.176,17 115.28,18 8.544,19 4.093,20 4.209,21 3.776,22 3.62,23 5.137,24 3.595,25 4.672,26 4.85,27 4.19,28 4.053,29 5.699,30 3.995,31 4.948,32 5.154,33 4.459,34 4.266,35 5.959,36 4.179,37 5.005,38 5.204,39 4.549,40 4.278,41 6.079,42 4.173,43 4.961,44 5.181,45 4.229,46 4.208,47 5.88,48 4.065,49 4.95,50 5.18,51 4.122,52 4.132,53 5.869,54 3.991,55 4.898,56 5.128,57 4.022,58 4.053,59 5.856,60 3.94,61 4.79,62 5.01,63 4.071,64 4.037,65 5.74,66 3.933,67 0.058,68 0.795,69 9.95,70 5.011,71 10.225,72 6.446,73 0.395,74 1.303,75 22.748,76 8.904,77 32.591,78 11.635,79 0.441,80 1.615,81 35.243,82 12.305,83 45.423,84 16.123,85 0.629,86 1.663,87 51.621,88 13.176,89 57.09,90 16.517,91 0.406,92 1.539,93 48.866,94 13.329,95 47.094,96 17.003,97 0.491,98 1.451,99 56.269,100 13.278,101 55.599,102 16.675,103 0.693,104 1.387,105 51.14,106 11.351,107 61.381,108 14.658,109 0.275,110 1.357,111 28.214,112 10.197,113 32.913,114 13.801,115 20,116 45,117 0.276,118 0.641,119 0.839,120 0.863,121 0.881,122 0.893,123 3.409,124 1.019,125 -4.95,126 -4.86,127 -4.55,128 1,129 38.9,130 1,131 5,135 3,136 1,139 1,140 4,141 1,143 1,146 1,147 2,148 1,156 10,158 2,159 4,161 2,163 15,168 3,170 3,174 15,177 2,178 6}
{0 CHEMBL157723,1 3,3 0.692,4 -0.134,5 1.307,6 0.459,7 0.632,9 1.89,10 1,12 -0.018,13 1.512,14 12.394,15 4.382,16 19.202,17 127.522,18 7.288,19 4.213,20 4.329,21 3.766,22 3.755,23 5.273,24 3.736,25 4.774,26 4.942,27 4.119,28 4.176,29 5.81,30 4.126,31 5.057,32 5.264,33 4.23,34 4.344,35 6.064,36 4.264,37 5.135,38 5.362,39 4.131,40 4.3,41 6.129,42 4.205,43 5.044,44 5.28,45 4.004,46 4.218,47 5.963,48 4.111,49 5.029,50 5.265,51 4.009,52 4.166,53 6.006,54 4.078,55 4.976,56 5.194,57 4.031,58 4.174,59 5.997,60 4.099,61 4.944,62 5.161,63 4.059,64 4.223,65 5.903,66 4.135,67 0.029,68 0.891,69 12.846,70 5.651,71 11.274,72 7.393,73 0.343,74 1.478,75 24.689,76 9.732,77 32.654,78 13.015,79 0.306,80 1.856,81 34.181,82 13.131,83 48.646,84 18.22,85 0.54,86 1.91,87 38.839,88 13.367,89 61.196,90 18.501,91 0.297,92 1.714,93 35.386,94 12.88,95 45.252,96 17.932,97 0.423,98 1.629,99 35.874,100 12.406,101 64.152,102 16.923,103 0.584,104 1.595,105 33.625,106 11.31,107 66.859,108 15.255,109 0.236,110 1.636,111 30.966,112 11.75,113 39.356,114 16.315,115 5,116 51,117 0.242,118 0.603,119 0.783,120 0.844,121 0.872,122 0.888,123 3.532,124 0.934,125 -5.19,126 -5.08,127 -4.75,129 42.6,131 5,135 3,136 1,139 7,140 5,143 1,146 1,147 2,148 1,156 18,158 2,159 4,161 2,163 22,168 7,170 3,174 18,177 2,178 5.301}
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{0 CHEMBL39406,1 3,2 1,3 0.859,4 -0.216,5 1.486,6 0.355,7 0.621,8 1,9 1.814,10 2,11 1,12 -0.051,13 1.651,14 12.69,15 1.878,16 3.528,17 104.946,18 7.556,19 4.074,20 4.185,21 3.626,22 3.524,23 5.241,24 3.533,25 4.61,26 4.774,27 3.956,28 3.91,29 5.813,30 3.884,31 4.905,32 5.11,33 4.062,34 4.052,35 6.028,36 4.008,37 4.988,38 5.208,39 4.004,40 3.982,41 6.295,42 3.932,43 4.848,44 5.082,45 3.727,46 3.877,47 5.9,48 3.797,49 4.786,50 5.013,51 3.684,52 3.82,53 5.895,54 3.748,55 4.738,56 4.964,57 3.714,58 3.811,59 5.883,60 3.734,61 4.703,62 4.928,63 3.739,64 3.773,65 5.875,66 3.718,67 0.14,68 0.771,69 10.862,70 4.584,71 21.115,72 5.936,73 0.547,74 1.2,75 20.792,76 7.583,77 69.009,78 10.206,79 0.616,80 1.445,81 30.125,82 9.796,83 80,84 13.879,85 1.237,86 1.414,87 35.156,88 9.459,89 156.544,90 13.641,91 0.731,92 1.218,93 30.648,94 8.974,95 93.825,96 12.692,97 0.724,98 1.136,99 28.872,100 8.485,101 105.111,102 11.778,103 0.746,104 1.107,105 27.178,106 8.39,107 84.535,108 11.777,109 0.489,110 1.08,111 25.692,112 8.13,113 69.423,114 11.459,115 18,116 41,117 0.276,118 0.656,119 0.825,120 0.885,121 0.893,122 0.893,123 3.407,124 0.917,125 -3.11,126 -3.11,127 -2.99,129 37.7,131 3,132 1,135 3,136 1,139 5,140 1,143 1,146 1,147 3,148 1,154 1,155 1,156 9,157 1,158 2,159 5,161 3,162 1,163 8,164 1,168 6,169 2,170 3,172 1,174 4,177 4,178 6.444}
{0 CHEMBL39940,1 6,2 6,3 0.778,4 -0.148,5 1.42,6 0.355,7 0.621,8 4,9 1.846,10 7,11 4,12 0.023,13 1.651,14 11.241,15 1.949,16 3.799,17 104.762,18 7.556,19 4.073,20 4.186,21 3.618,22 3.534,23 5.268,24 3.539,25 4.602,26 4.765,27 3.983,28 3.953,29 5.847,30 3.923,31 4.945,32 5.141,33 4.152,34 4.15,35 6.082,36 4.105,37 5.114,38 5.327,39 4.131,40 4.143,41 6.493,42 4.088,43 5.018,44 5.251,45 3.922,46 4.072,47 6.15,48 3.989,49 4.97,50 5.197,51 3.842,52 3.979,53 6.146,54 3.899,55 4.887,56 5.136,57 3.688,58 3.852,59 6.017,60 3.753,61 4.671,62 4.918,63 3.658,64 3.732,65 5.75,66 3.657,67 0.157,68 0.775,69 10.92,70 4.602,71 26.516,72 5.942,73 0.496,74 1.234,75 20.178,76 7.81,77 84.954,78 10.534,79 0.549,80 1.561,81 30.404,82 10.664,83 83.083,84 14.944,85 1.352,86 1.62,87 39.551,88 11.18,89 215.667,90 15.739,91 0.794,92 1.46,93 35.986,94 11.123,95 119.626,96 15.631,97 0.805,98 1.345,99 34.584,100 10.407,101 130.203,102 14.486,103 0.962,104 1.207,105 33.101,106 9.223,107 123.441,108 13.357,109 0.466,110 1.065,111 25.313,112 7.753,113 69.154,114 11.481,115 30,116 43,117 0.276,118 0.658,119 0.806,120 0.86,121 0.868,122 0.868,123 3.408,124 0.912,125 -3.11,126 -3.11,127 -2.99,129 37.7,131 4,133 1,135 2,136 1,139 5,140 1,143 1,146 1,147 3,148 1,154 2,155 2,156 11,157 2,158 1,159 3,161 4,162 2,163 12,164 4,165 1,168 5,169 2,170 3,172 4,173 2,174 10,177 3,178 6.77}