@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5270

@attribute molecule_id {CHEMBL1230365,CHEMBL1235617,CHEMBL1270439,CHEMBL1270533,CHEMBL1270534,CHEMBL1270633,CHEMBL1270734,CHEMBL1270837,CHEMBL1652302,CHEMBL1652303,CHEMBL1652304,CHEMBL219624,CHEMBL219889,CHEMBL22,CHEMBL220159,CHEMBL220937,CHEMBL221172,CHEMBL222461,CHEMBL34259,CHEMBL384443,CHEMBL437567,CHEMBL457905,CHEMBL485959,CHEMBL485960,CHEMBL485961,CHEMBL485962,CHEMBL486570,CHEMBL501263,CHEMBL520358,CHEMBL521055,CHEMBL574335}
@attribute ATSC3s numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute C.040 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute D.Dtr10 numeric
@attribute GATS1e numeric
@attribute GATS1s numeric
@attribute GATS2i numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute H.052 numeric
@attribute MATS1s numeric
@attribute MATS4i numeric
@attribute MATS4p numeric
@attribute MAXDP numeric
@attribute N.072 numeric
@attribute nCconj numeric
@attribute nDB numeric
@attribute NdO numeric
@attribute NdssC numeric
@attribute NNRS numeric
@attribute nR10 numeric
@attribute NsssN numeric
@attribute O.058 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_5 numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute SdO numeric
@attribute SdssC numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SsssN numeric
@attribute C.022 numeric
@attribute Eig01_AEA.dm. numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nR.C. numeric
@attribute nTB numeric
@attribute NtsC numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_s_5 numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute AECC numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1s numeric
@attribute ATS2e numeric
@attribute ATS2m numeric
@attribute ATS2s numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4s numeric
@attribute ATS5m numeric
@attribute ATS5s numeric
@attribute ATS6m numeric
@attribute ATS6s numeric
@attribute ATS7m numeric
@attribute ATS7s numeric
@attribute ATS8s numeric
@attribute ATSC1i numeric
@attribute ATSC2i numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4s numeric
@attribute ATSC6s numeric
@attribute ATSC7e numeric
@attribute ATSC8e numeric
@attribute BBI numeric
@attribute BID numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC2 numeric
@attribute CID numeric
@attribute CSI numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute DLS_02 numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute pXC50 numeric

@data
{1 30.581,2 0.707,3 0.73,4 0.739,5 0.767,7 1.351,8 1.296,9 1.131,11 1.005,12 1.212,13 0.656,14 1.421,15 0.705,17 -0.238,18 -0.255,19 -0.309,20 1.929,26 1,31 33.571,32 33,33 31.131,35 1,39 0.737,40 0.761,41 0.77,42 0.8,43 5.296,44 2.046,45 2.041,47 2,48 3.967,49 0.684,50 1.341,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.967,60 3.967,61 10.154,62 3.991,63 4.117,64 3.499,65 5.177,66 4.488,67 3.843,68 5.596,69 4.585,70 4.724,71 3.995,72 4.788,73 4.968,74 3.978,75 5.923,76 3.853,77 5.94,78 3.811,79 5.883,80 3.592,81 5.876,82 5.686,83 0.702,84 1.018,85 1.239,86 20.694,87 1.393,88 25.974,89 43.752,90 53.619,91 0.419,92 0.379,93 39,94 3.304,95 1,96 1,97 996,98 16.859,99 16.859,100 16.859,101 16.859,102 16.859,103 15.107,104 24.088,105 9.477,106 17.555,107 13.054,108 13.054,109 13.054,110 13.054,111 13.054,112 10.154,113 32.062,114 4.149,115 13.889,116 1.486,117 3.958,118 534,119 1.462,120 25.276,121 1,122 57,123 264,124 3.626,125 2.555,126 5.19,127 3.051,128 2.128,129 2.877,130 6.118,131 1.958,132 3.355,133 2.356,134 5.023,135 2.972,136 2.061,137 2.604,138 5.945,139 1.867,140 3.273,141 2.095,142 4.895,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 2.084,150 4.879,151 2.66,152 1.686,153 2.307,154 5.151,155 1.638,156 2.801,157 1.809,158 3.848,159 2.002,160 1.116,161 1.487,162 2.479,163 0.99,164 2.132,165 1.417,166 3.548,167 1.877,168 0.959,169 1.104,170 2.127,171 0.867,172 0.992,173 3.039,174 1.27,175 4.896}
{0 CHEMBL1235617,1 46.848,2 0.806,3 0.872,4 0.881,5 0.895,6 1,7 0.519,8 0.459,9 0.368,10 179.072,11 0.854,12 0.834,13 0.958,14 1.096,15 1.053,16 2,17 -0.104,18 -0.024,19 -0.093,20 6.281,21 1,22 4,23 3,24 1,25 1,26 0.75,27 1,28 1,29 1,30 10.605,31 96.01,32 70.687,33 47.04,34 1,35 1.091,36 0.091,37 13.281,38 -0.221,39 0.845,40 0.914,41 0.924,42 0.939,43 7.429,44 2.087,45 2.085,46 1.544,48 3.695,49 1.097,50 1.074,51 4,56 4.227,57 61.571,59 5.695,60 3.695,61 13.167,62 4.281,63 4.406,64 3.831,65 5.438,66 4.788,67 4.169,68 5.885,69 5.003,70 5.189,71 4.311,72 5.147,73 5.352,74 4.309,75 6.226,76 4.256,77 6.273,78 4.205,79 6.28,80 4.202,81 6.252,82 6.162,83 0.984,84 1.504,85 1.839,86 31.421,87 2.029,88 37.488,89 61.325,90 77.768,91 0.708,92 0.662,93 54,94 3.616,95 2,96 8,97 2514,98 24.541,99 24.541,100 24.541,101 24.541,102 24.541,103 21.895,104 29.53,105 14.438,106 25.125,107 19.072,108 19.072,109 19.072,110 19.072,111 19.072,112 14.87,113 40.027,114 6.549,115 19.821,116 0.936,117 4.309,118 1012,119 1.898,120 35.54,121 0.67,122 78,123 474,124 3.919,125 3.071,126 6.007,127 3.586,128 2.591,129 3.218,130 8.429,131 2.568,132 3.601,133 2.537,134 5.281,135 3.234,136 2.279,137 2.935,138 6.715,139 2.177,140 3.434,141 2.366,142 5.222,143 3.076,144 2.106,145 2.689,146 6.265,147 2.04,148 3.362,149 2.307,150 5.093,151 2.947,152 1.999,153 2.66,154 5.747,155 1.918,156 3.233,157 2.177,158 4.921,159 2.938,160 1.962,161 2.366,162 5.65,163 1.868,164 3.09,165 2.049,166 4.329,167 2.579,168 1.589,169 2.257,170 3.984,171 1.569,172 1.772,173 4.146,174 2.353,175 7.268}
{0 CHEMBL1270439,1 24.669,2 0.71,3 0.815,4 0.848,5 0.859,7 0.717,8 0.522,9 0.461,11 1.136,12 1.262,13 0.89,14 1.148,15 0.727,17 -0.248,18 -0.1,19 -0.159,20 1.944,26 1,30 5.069,31 33.571,33 18.55,35 1,39 0.757,40 0.869,41 0.905,42 0.916,43 5.293,44 2.063,45 2.077,47 2,48 3.33,49 0.684,50 1.085,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.33,60 3.33,61 11.04,62 3.879,63 4.013,64 3.425,65 5.042,66 4.335,67 3.736,68 5.451,69 4.541,70 4.75,71 3.776,72 4.544,73 4.754,74 3.696,75 5.623,76 3.566,77 5.599,78 3.386,79 5.5,80 3.341,81 5.291,82 5.252,83 0.646,84 0.996,85 1.191,86 19.577,87 1.179,88 19.605,89 31.067,90 39.257,91 0.1,92 0.123,93 36,94 3.266,95 1,96 4,97 871,98 17.077,99 17.077,100 17.077,101 17.077,102 17.077,103 14.537,104 13.788,105 10.285,106 17.255,107 13.287,108 13.287,109 13.287,110 13.287,111 13.287,112 9.557,113 14.886,114 4.8,115 13.59,116 1.334,117 3.95,118 587,119 1.562,120 15.587,121 1,122 52,123 276,124 3.673,125 2.354,126 5.043,127 3.059,128 2.135,129 2.935,130 5.94,131 1.967,132 3.339,133 2.221,134 5.014,135 2.921,136 1.976,137 2.551,138 5.671,139 1.866,140 3.284,141 2,142 4.397,143 2.792,144 1.793,145 2.524,146 4.391,147 1.789,148 3.172,149 1.701,150 3.755,151 2.391,152 1.398,153 2.14,154 3.052,155 1.387,156 2.749,157 1.391,158 3.542,159 2.198,160 1.207,161 1.819,162 2.737,163 1.194,164 2.5,165 1.2,166 3.429,167 2,168 1,169 1.5,170 2.387,171 1,172 1,173 3.247,174 2,175 5.959}
{0 CHEMBL1270533,1 25.158,2 0.748,3 0.837,4 0.856,5 0.856,7 0.633,8 0.521,9 0.521,11 1.033,12 1.207,13 0.835,14 1.179,15 0.863,17 -0.218,18 -0.107,19 -0.177,20 1.99,26 1,30 5.069,31 33.571,32 11,33 18.55,35 1,39 0.793,40 0.887,41 0.907,42 0.907,43 5.294,44 2.065,45 2.074,47 2,48 3.338,49 1.062,50 1.118,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.338,60 3.338,61 11,62 3.969,63 4.097,64 3.514,65 5.138,66 4.437,67 3.824,68 5.549,69 4.607,70 4.797,71 3.907,72 4.662,73 4.848,74 3.846,75 5.767,76 3.713,77 5.751,78 3.581,79 5.665,80 3.609,81 5.482,82 5.57,83 0.7,84 1.067,85 1.258,86 20.803,87 1.301,88 22.039,89 35.838,90 46.841,91 0.138,92 0.298,93 39,94 3.34,95 1,96 6,97 1143,98 18.447,99 18.447,100 18.447,101 18.447,102 18.447,103 15.907,104 16.616,105 10.961,106 18.797,107 14.185,108 14.185,109 14.185,110 14.185,111 14.185,112 10.368,113 18.122,114 5.003,115 14.669,116 1.164,117 4.022,118 627,119 1.481,120 19.029,121 1,122 57,123 297,124 3.748,125 2.498,126 5.043,127 3.064,128 2.14,129 2.941,130 5.942,131 1.971,132 3.34,133 2.295,134 5.015,135 2.922,136 1.977,137 2.618,138 5.671,139 1.867,140 3.285,141 2.213,142 4.518,143 2.809,144 1.816,145 2.547,146 4.598,147 1.804,148 3.266,149 1.881,150 4.364,151 2.663,152 1.7,153 2.287,154 4.287,155 1.629,156 2.878,157 1.623,158 3.739,159 2.223,160 1.243,161 1.889,162 2.896,163 1.215,164 2.645,165 1.31,166 3.511,167 2.164,168 1.172,169 1.712,170 2.701,171 1.16,172 1.193,173 3.247,174 2,175 5.681}
{0 CHEMBL1270534,1 25.346,2 0.754,3 0.837,4 0.856,5 0.856,7 0.633,8 0.521,9 0.521,11 1.033,12 1.207,13 0.835,14 1.219,15 0.758,17 -0.218,18 -0.129,19 -0.209,20 1.99,26 1,30 5.069,31 33.571,32 11,33 18.55,35 1,39 0.8,40 0.887,41 0.907,42 0.907,43 5.294,44 2.068,45 2.076,47 2,48 3.336,49 0.706,50 1.15,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.336,60 3.336,61 10.407,62 3.969,63 4.097,64 3.514,65 5.138,66 4.437,67 3.824,68 5.551,69 4.607,70 4.798,71 3.901,72 4.654,73 4.841,74 3.864,75 5.746,76 3.762,77 5.791,78 3.618,79 5.708,80 3.602,81 5.508,82 5.498,83 0.7,84 1.067,85 1.259,86 20.847,87 1.314,88 21.463,89 30.904,90 47.557,91 0.155,92 0.134,93 39,94 3.34,95 1,96 5,97 1147,98 18.447,99 18.447,100 18.447,101 18.447,102 18.447,103 15.907,104 18.101,105 10.982,106 18.804,107 14.191,108 14.191,109 14.191,110 14.191,111 14.191,112 10.373,113 20.845,114 5.03,115 14.683,116 1.123,117 4.022,118 592,119 1.325,120 18.847,121 1,122 57,123 281,124 3.759,125 2.569,126 5.045,127 3.084,128 2.151,129 2.953,130 5.951,131 2.014,132 3.414,133 2.326,134 5.032,135 3.014,136 2.055,137 2.731,138 5.803,139 1.944,140 3.317,141 2.218,142 5.011,143 2.92,144 1.975,145 2.547,146 5.669,147 1.864,148 3.272,149 1.918,150 4.175,151 2.623,152 1.626,153 2.295,154 3.834,155 1.62,156 2.931,157 1.547,158 3.739,159 2.251,160 1.267,161 1.956,162 2.908,163 1.245,164 2.609,165 1.308,166 3.505,167 2.119,168 1.128,169 1.657,170 2.644,171 1.116,172 1.187,173 3.247,174 2,175 5.351}
{0 CHEMBL1270633,1 26.057,2 0.757,3 0.846,4 0.856,5 0.856,7 0.577,8 0.521,9 0.521,11 1.033,12 1.211,13 0.835,14 1.194,15 0.731,17 -0.222,18 -0.127,19 -0.187,20 1.969,26 1,30 5.069,31 33.571,32 11,33 18.55,35 1,39 0.803,40 0.897,41 0.907,42 0.907,43 5.294,44 2.065,45 2.074,47 2,48 3.33,49 0.667,50 1.134,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.33,60 3.33,61 11.074,62 3.969,63 4.097,64 3.514,65 5.138,66 4.437,67 3.824,68 5.553,69 4.607,70 4.797,71 3.884,72 4.652,73 4.85,74 3.844,75 5.734,76 3.76,77 5.76,78 3.625,79 5.699,80 3.553,81 5.548,82 5.458,83 0.7,84 1.067,85 1.258,86 20.829,87 1.296,88 21.753,89 32.011,90 44.699,91 0.161,92 0.159,93 39,94 3.34,95 1,96 2,97 1117,98 18.394,99 18.394,100 18.394,101 18.394,102 18.394,103 15.882,104 18.101,105 10.975,106 18.752,107 14.214,108 14.214,109 14.214,110 14.214,111 14.214,112 10.396,113 20.845,114 5.066,115 14.703,116 1.107,117 4.022,118 631,119 1.484,120 18.854,121 1,122 57,123 299,124 3.747,125 2.622,126 5.044,127 3.089,128 2.156,129 2.954,130 5.976,131 2.015,132 3.392,133 2.344,134 5.019,135 3.017,136 2.073,137 2.636,138 5.897,139 1.939,140 3.3,141 2.22,142 4.988,143 2.919,144 1.975,145 2.545,146 5.67,147 1.863,148 3.244,149 1.898,150 4.375,151 2.738,152 1.745,153 2.483,154 4.292,155 1.728,156 3.17,157 1.701,158 3.752,159 2.299,160 1.316,161 2.082,162 2.981,163 1.29,164 2.568,165 1.339,166 3.493,167 2.071,168 1.076,169 1.595,170 2.609,171 1.07,172 1.107,173 3.247,174 2,175 6.247}
{0 CHEMBL1270734,1 25.835,2 0.75,3 0.817,4 0.832,5 0.851,7 0.788,8 0.698,9 0.585,11 0.999,12 1.2,13 0.749,14 1.334,15 0.774,17 -0.23,18 -0.233,19 -0.295,20 2.154,26 1,31 33.571,32 22,33 22.306,35 1,39 0.791,40 0.862,41 0.878,42 0.898,43 5.296,44 2.071,45 2.074,47 2,48 3.507,49 0.941,50 1.26,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.507,60 3.507,61 11.517,62 4.051,63 4.174,64 3.595,65 5.232,66 4.529,67 3.922,68 5.646,69 4.67,70 4.836,71 4.04,72 4.787,73 4.949,74 4.048,75 5.928,76 3.971,77 5.981,78 3.911,79 5.897,80 3.796,81 5.87,82 5.823,83 0.752,84 1.133,85 1.339,86 21.772,87 1.45,88 24.436,89 36.64,90 45.862,91 0.342,92 0.349,93 43,94 3.408,95 1,96 3,97 1381,98 19.447,99 19.447,100 19.447,101 19.447,102 19.447,103 16.955,104 20.397,105 11.35,106 19.977,107 15.136,108 15.136,109 15.136,110 15.136,111 15.136,112 11.258,113 25.465,114 5.177,115 15.794,116 1.197,117 4.086,118 702,119 1.741,120 22.751,121 1,122 62,123 334,124 3.769,125 2.641,126 5.215,127 3.148,128 2.184,129 3.019,130 6.236,131 2.109,132 3.533,133 2.413,134 5.075,135 3.065,136 2.138,137 2.888,138 5.988,139 1.974,140 3.354,141 2.332,142 5.001,143 2.948,144 2.009,145 2.499,146 5.708,147 1.871,148 3.232,149 2.089,150 4.879,151 2.815,152 1.879,153 2.481,154 5.225,155 1.756,156 3.098,157 1.686,158 4.229,159 2.54,160 1.555,161 2.193,162 3.794,163 1.529,164 2.789,165 1.61,166 3.724,167 2.156,168 1.174,169 1.749,170 2.846,171 1.15,172 1.315,173 3.463,174 2,175 4.815}
{0 CHEMBL1270837,1 25.489,2 0.745,3 0.834,4 0.853,5 0.853,7 0.648,8 0.536,9 0.536,11 1.033,12 1.244,13 0.794,14 1.326,15 0.728,17 -0.256,18 -0.242,19 -0.309,20 2.11,26 1,31 33.571,32 11,33 22.306,35 1,39 0.79,40 0.885,41 0.905,42 0.905,43 5.295,44 2.069,45 2.077,47 2,48 3.482,49 0.876,50 1.237,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.482,60 3.482,61 11.519,62 3.969,63 4.097,64 3.514,65 5.145,66 4.437,67 3.842,68 5.557,69 4.609,70 4.79,71 3.927,72 4.686,73 4.864,74 3.884,75 5.819,76 3.719,77 5.79,78 3.665,79 5.646,80 3.638,81 5.61,82 5.663,83 0.7,84 1.068,85 1.269,86 20.561,87 1.325,88 22.18,89 36.199,90 35.796,91 0.197,92 0.309,93 40,94 3.34,95 1,96 5,97 1132,98 18.077,99 18.077,100 18.077,101 18.077,102 18.077,103 15.586,104 16.084,105 10.608,106 18.435,107 14.215,108 14.215,109 14.215,110 14.215,111 14.215,112 10.436,113 19.506,114 4.914,115 14.696,116 1.179,117 4.019,118 658,119 1.833,120 18.891,121 1,122 57,123 311,124 3.765,125 2.599,126 5.075,127 3.1,128 2.161,129 2.979,130 5.99,131 2.04,132 3.385,133 2.334,134 5.001,135 2.985,136 2.029,137 2.683,138 5.709,139 1.925,140 3.25,141 2.089,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 1.858,150 4.417,151 2.74,152 1.765,153 2.383,154 4.355,155 1.712,156 2.957,157 1.674,158 4.006,159 2.33,160 1.351,161 1.965,162 3.334,163 1.318,164 2.672,165 1.348,166 3.518,167 2.118,168 1.122,169 1.69,170 2.679,171 1.117,172 1.119,173 3.441,174 2,175 4.696}
{0 CHEMBL1652302,1 34.567,2 0.807,3 0.875,4 0.887,5 0.887,6 1,7 0.387,8 0.326,9 0.326,10 66.892,11 0.533,12 0.597,13 1.257,14 0.97,15 1.21,16 2,17 -0.033,18 -0.028,19 -0.031,20 4.756,21 1,22 4,23 3,24 1,25 1,26 0.5,27 1,28 1,29 1,30 23.838,31 50.668,32 48.687,33 33.559,34 1,35 1.2,36 0.2,37 11.756,38 -0.144,39 0.851,40 0.923,41 0.935,42 0.935,43 7.429,44 2.082,45 2.082,46 1.527,48 3.692,49 1.423,50 1.079,51 3,57 18.524,59 5.692,60 3.692,61 6.176,62 3.562,63 3.691,64 3.07,65 4.66,66 4.077,67 3.384,68 5.091,69 4.353,70 4.585,71 3.513,72 4.389,73 4.613,74 3.465,75 5.433,76 3.324,77 5.433,78 3.006,79 5.36,80 2.38,81 5.091,82 4.317,83 0.468,84 0.74,85 0.921,86 17.535,87 0.948,88 18.301,89 31.86,90 35.117,91 0.15,92 0.078,93 24,94 2.91,95 1,97 309,98 11.707,99 11.707,100 11.707,101 11.707,102 11.707,103 10.667,104 10.528,105 7.059,106 11.773,107 8.769,108 8.769,109 8.769,110 8.769,111 8.769,112 7.071,113 14.571,114 3.13,115 8.869,116 0.75,117 3.563,118 214,119 0.913,120 13.4,121 1,122 36,123 105,124 3.101,125 2.049,126 4.29,127 2.581,128 1.588,129 2.265,130 3.836,131 1.572,132 2.756,133 1.425,134 3.703,135 2.307,136 1.308,137 1.791,138 2.916,139 1.306,140 2.5,141 1.289,142 3.606,143 2.237,144 1.237,145 1.463,146 2.63,147 1.235,148 2.22,149 0.993,150 3.113,151 1.743,152 0.766,153 0.982,154 1.51,155 0.747,156 1.995,157 0.763,158 2.726,159 1.306,160 0.293,161 0.467,162 0.417,163 0.294,164 1.21,165 0.33,166 2.332,167 0.909,168 -0.114,169 -0.145,170 -0.205,171 -0.117,172 -0.28,173 2.206,174 0.468,175 7.337}
{0 CHEMBL1652303,1 45.216,2 0.81,3 0.869,4 0.88,5 0.895,6 1,7 0.512,8 0.449,9 0.353,10 173.604,11 0.858,12 0.841,13 0.937,14 1.116,15 1.074,16 2,17 -0.118,18 -0.017,19 -0.117,20 6.166,21 1,22 4,23 3,24 1,25 1,26 0.75,27 1,28 1,29 1,30 8.071,31 96.01,32 70.687,33 44.506,34 1,35 1.091,36 0.091,37 13.166,38 -0.231,39 0.852,40 0.914,41 0.925,42 0.941,43 7.429,44 2.085,45 2.082,46 1.513,48 3.694,49 1.124,50 1.071,51 3,56 4.227,57 61.571,59 5.694,60 3.694,61 13.086,62 4.24,63 4.364,64 3.805,65 5.415,66 4.74,67 4.148,68 5.858,69 4.945,70 5.121,71 4.293,72 5.097,73 5.295,74 4.277,75 6.205,76 4.192,77 6.246,78 4.111,79 6.208,80 4.148,81 6.142,82 6.106,83 0.946,84 1.44,85 1.757,86 28.833,87 1.944,88 34.949,89 59.826,90 79.481,91 0.674,92 0.647,93 53,94 3.588,95 2,96 8,97 2359,98 23.834,99 23.834,100 23.834,101 23.834,102 23.834,103 21.188,104 29.53,105 13.825,106 24.418,107 18.534,108 18.534,109 18.534,110 18.534,111 18.534,112 14.332,113 40.027,114 6.239,115 19.286,116 0.885,117 4.282,118 981,119 1.864,120 34.892,121 0.67,122 76,123 458,124 3.919,125 3.071,126 6.007,127 3.586,128 2.591,129 3.218,130 8.428,131 2.568,132 3.601,133 2.537,134 5.281,135 3.234,136 2.279,137 2.935,138 6.715,139 2.177,140 3.433,141 2.365,142 5.22,143 3.067,144 2.101,145 2.688,146 6.26,147 2.026,148 3.362,149 2.297,150 5.081,151 2.939,152 1.999,153 2.66,154 5.669,155 1.901,156 3.219,157 2.177,158 4.921,159 2.925,160 1.937,161 2.354,162 5.65,163 1.868,164 3.089,165 2.048,166 4.328,167 2.578,168 1.588,169 2.256,170 3.977,171 1.568,172 1.772,173 4.146,174 2.353,175 7.018}
{0 CHEMBL1652304,1 48.14,2 0.799,3 0.873,4 0.882,5 0.896,6 1,7 0.526,8 0.468,9 0.381,10 184.919,11 0.851,12 0.828,13 0.977,14 1.088,15 1.038,16 2,17 -0.091,18 -0.022,19 -0.082,20 6.37,21 1,22 4,23 3,24 1,25 1,26 0.75,27 1,28 1,29 1,30 13.14,31 96.01,32 70.687,33 49.575,34 1,35 1.091,36 0.091,37 13.37,38 -0.213,39 0.836,40 0.914,41 0.923,42 0.938,43 7.429,44 2.088,45 2.087,46 1.564,48 3.695,49 1.08,50 1.069,51 5,56 4.227,57 61.571,59 5.695,60 3.695,61 13.27,62 4.32,63 4.447,64 3.856,65 5.46,66 4.834,67 4.19,68 5.91,69 5.057,70 5.252,71 4.329,72 5.194,73 5.406,74 4.327,75 6.249,76 4.289,77 6.293,78 4.268,79 6.307,80 4.288,81 6.321,82 6.27,83 1.023,84 1.567,85 1.92,86 33.911,87 2.108,88 39.93,89 61.974,90 76.168,91 0.69,92 0.694,93 55,94 3.642,95 2,96 8,97 2688,98 25.248,99 25.248,100 25.248,101 25.248,102 25.248,103 22.602,104 29.53,105 14.962,106 25.832,107 19.572,108 19.572,109 19.572,110 19.572,111 19.572,112 15.37,113 40.027,114 6.845,115 20.321,116 1.004,117 4.336,118 1045,119 1.953,120 36.031,121 0.67,122 80,123 491,124 3.919,125 3.071,126 6.007,127 3.586,128 2.591,129 3.218,130 8.429,131 2.568,132 3.601,133 2.537,134 5.281,135 3.234,136 2.279,137 2.935,138 6.715,139 2.177,140 3.435,141 2.366,142 5.222,143 3.08,144 2.109,145 2.689,146 6.265,147 2.048,148 3.362,149 2.31,150 5.095,151 2.957,152 1.999,153 2.66,154 5.759,155 1.925,156 3.238,157 2.177,158 4.921,159 2.939,160 1.974,161 2.369,162 5.65,163 1.868,164 3.09,165 2.05,166 4.329,167 2.58,168 1.59,169 2.257,170 3.988,171 1.57,172 1.772,173 4.146,174 2.463,175 6.77}
{0 CHEMBL219624,1 26.539,2 0.716,3 0.745,4 0.757,5 0.793,7 1.153,8 1.086,9 0.885,11 1.033,12 1.183,13 0.647,14 1.381,15 0.756,17 -0.238,18 -0.179,19 -0.321,20 1.809,26 1,30 2.535,31 45.342,32 33,33 13.481,35 1,39 0.754,40 0.785,41 0.797,42 0.835,43 5.303,44 2.021,45 2.009,47 2,48 3.387,49 0.842,50 1.229,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.387,60 3.387,61 10.304,62 3.817,63 3.935,64 3.386,65 5.066,66 4.277,67 3.669,68 5.462,69 4.31,70 4.436,71 3.785,72 4.453,73 4.618,74 3.717,75 5.654,76 3.49,77 5.613,78 3.281,79 5.45,80 3.214,81 5.292,82 5.186,83 0.587,84 0.817,85 0.922,86 14.275,87 0.975,88 17.422,89 35.62,90 39.195,91 0.267,92 0.228,93 32,94 3.187,95 1,96 1,97 717,98 15.541,99 15.541,100 15.541,101 15.541,102 15.541,103 13.689,104 21.707,105 9.102,106 16.231,107 11.625,108 11.625,109 11.625,110 11.625,111 11.625,112 8.719,113 26.172,114 4.016,115 12.45,116 1.318,117 3.848,118 483,119 1.422,120 22.524,121 1,122 51,123 237,124 3.515,125 2.555,126 5.19,127 3.046,128 2.118,129 2.824,130 6.118,131 1.957,132 3.355,133 2.351,134 4.96,135 2.972,136 2.061,137 2.604,138 5.819,139 1.867,140 3.265,141 2.027,142 4.188,143 2.466,144 1.525,145 2.212,146 3.825,147 1.432,148 2.777,149 1.812,150 3.823,151 2.143,152 1.223,153 1.755,154 2.74,155 1.126,156 2.207,157 1.577,158 3.406,159 1.924,160 1.047,161 1.176,162 2.161,163 0.906,164 1.576,165 1.008,166 2.859,167 1.276,168 0.396,169 0.452,170 0.701,171 0.342,172 0.916,173 2.819,174 1.27,175 5.638}
{0 CHEMBL219889,1 29.56,2 0.728,3 0.755,4 0.766,5 0.798,7 1.137,8 1.075,9 0.887,11 1.022,12 1.19,13 0.652,14 1.439,15 0.808,17 -0.234,18 -0.194,19 -0.35,20 1.858,26 1,31 45.342,32 33,33 19.772,35 1,39 0.764,40 0.792,41 0.803,42 0.838,43 5.303,44 2.031,45 2.023,47 2,48 3.47,49 0.812,50 1.28,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.47,60 3.47,61 10.208,62 3.879,63 3.999,64 3.425,65 5.105,66 4.353,67 3.723,68 5.508,69 4.418,70 4.559,71 3.857,72 4.55,73 4.709,74 3.802,75 5.736,76 3.658,77 5.718,78 3.537,79 5.657,80 3.37,81 5.579,82 5.396,83 0.625,84 0.884,85 1.022,86 16.777,87 1.097,88 19.401,89 38.177,90 44.402,91 0.374,92 0.299,93 34,94 3.228,95 1,96 1,97 802,98 16.041,99 16.041,100 16.041,101 16.041,102 16.041,103 14.291,104 22.388,105 9.261,106 16.731,107 12.086,108 12.086,109 12.086,110 12.086,111 12.086,112 9.212,113 27.556,114 4.076,115 12.912,116 1.291,117 3.886,118 498,119 1.458,120 23.327,121 1,122 53,123 245,124 3.579,125 2.555,126 5.19,127 3.047,128 2.122,129 2.855,130 6.118,131 1.957,132 3.355,133 2.354,134 4.961,135 2.972,136 2.061,137 2.604,138 5.824,139 1.867,140 3.266,141 2.061,142 4.35,143 2.527,144 1.571,145 2.252,146 4.111,147 1.5,148 2.789,149 1.818,150 4.138,151 2.328,152 1.388,153 1.852,154 3.608,155 1.301,156 2.361,157 1.63,158 3.671,159 1.927,160 1.08,161 1.203,162 2.23,163 0.907,164 2.03,165 1.012,166 3.101,167 1.573,168 0.616,169 0.828,170 1.356,171 0.587,172 0.916,173 2.859,174 1.27,175 5.319}
{0 CHEMBL22,1 22.16,2 0.706,3 0.737,4 0.75,5 0.789,7 1.212,8 1.142,9 0.93,11 1.031,12 1.196,13 0.686,14 1.309,15 0.88,17 -0.233,18 -0.075,19 -0.251,20 1.848,26 1,30 2.535,31 45.342,32 33,33 13.481,35 1,39 0.738,40 0.771,41 0.784,42 0.824,43 5.291,44 2.049,45 2.037,48 3.387,49 0.882,50 1.171,51 1,56 4.227,57 33.571,59 5.387,60 3.387,61 8.619,62 3.772,63 3.895,64 3.316,65 4.989,66 4.249,67 3.617,68 5.398,69 4.309,70 4.441,71 3.743,72 4.514,73 4.701,74 3.703,75 5.646,76 3.538,77 5.637,78 3.369,79 5.494,80 3.351,81 5.466,82 5.268,83 0.555,84 0.774,85 0.907,86 15.043,87 0.993,88 19.746,89 37.403,90 36.662,91 0.601,92 0.403,93 30,94 3.103,95 1,97 548,98 14.127,99 14.127,100 14.127,101 14.127,102 14.127,103 12.574,104 21.921,105 8.17,106 14.817,107 10.642,108 10.642,109 10.642,110 10.642,111 10.642,112 8.164,113 30.152,114 3.589,115 11.467,116 1.386,117 3.759,118 367,119 1.197,120 21.329,121 1,122 47,123 181,124 3.362,125 2.537,126 5.19,127 2.972,128 2.061,129 2.662,130 6.118,131 1.868,132 3.355,133 2.182,134 4.921,135 2.939,136 1.999,137 2.604,138 5.65,139 1.867,140 2.823,141 1.949,142 4.146,143 2.353,144 1.422,145 1.952,146 3.672,147 1.32,148 2.204,149 1.549,150 3.769,151 1.97,152 1.142,153 1.189,154 2.394,155 0.941,156 1.618,157 1.029,158 3.009,159 1.335,160 0.423,161 0.481,162 0.887,163 0.38,164 1.576,165 0.916,166 2.859,167 1.27,168 0.396,169 0.452,170 0.603,171 0.342,172 0.626,173 2.491,174 1.131,175 4.148}
{0 CHEMBL220159,1 27.617,2 0.72,3 0.747,4 0.758,5 0.79,7 1.183,8 1.12,9 0.932,11 1.022,12 1.186,13 0.695,14 1.454,15 0.655,17 -0.231,18 -0.306,19 -0.369,20 1.841,26 1,30 2.535,31 33.571,32 33,33 16.016,35 1,39 0.755,40 0.783,41 0.795,42 0.829,43 5.295,44 2.026,45 2.014,47 2,48 3.388,49 0.78,50 1.384,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.388,60 3.388,61 10.333,62 3.879,63 3.999,64 3.425,65 5.102,66 4.352,67 3.725,68 5.506,69 4.391,70 4.523,71 3.857,72 4.55,73 4.71,74 3.829,75 5.751,76 3.559,77 5.765,78 3.332,79 5.528,80 3.296,81 5.356,82 5.264,83 0.625,84 0.88,85 1.011,86 16.179,87 1.1,88 19.432,89 33.753,90 44.462,91 0.26,92 0.197,93 34,94 3.228,95 1,96 1,97 766,98 16.041,99 16.041,100 16.041,101 16.041,102 16.041,103 14.136,104 22.727,105 9.306,106 16.738,107 12.109,108 12.109,109 12.109,110 12.109,111 12.109,112 9.117,113 28.83,114 4.093,115 12.943,116 1.336,117 3.887,118 504,119 1.389,120 23.764,121 1,122 53,123 248,124 3.516,125 2.555,126 5.19,127 3.049,128 2.123,129 2.828,130 6.118,131 1.958,132 3.355,133 2.352,134 5.015,135 2.972,136 2.061,137 2.604,138 5.937,139 1.867,140 3.27,141 2.091,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 2.027,150 3.849,151 2.307,152 1.339,153 2.102,154 3.017,155 1.295,156 2.208,157 1.777,158 3.623,159 1.958,160 1.116,161 1.184,162 2.33,163 0.932,164 1.621,165 1.269,166 3.04,167 1.445,168 0.493,169 0.535,170 1.121,171 0.465,172 0.991,173 2.859,174 1.27,175 5.668}
{0 CHEMBL220937,1 30.668,2 0.703,3 0.762,4 0.772,5 0.801,7 1.142,8 1.084,9 0.912,11 1.015,12 1.18,13 0.652,14 1.416,15 0.742,17 -0.235,18 -0.258,19 -0.306,20 2.002,26 1,31 44.571,32 33,33 13.481,35 1,39 0.734,40 0.796,41 0.806,42 0.837,43 5.296,44 2.029,45 2.011,47 2,48 3.602,49 0.856,50 1.361,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.602,60 3.602,61 10.192,62 3.968,63 4.084,64 3.513,65 5.191,66 4.457,67 3.816,68 5.614,69 4.474,70 4.595,71 3.978,72 4.68,73 4.834,74 3.98,75 5.882,76 3.832,77 5.938,78 3.79,79 5.838,80 3.687,81 5.776,82 5.698,83 0.667,84 0.929,85 1.09,86 17.463,87 1.229,88 22.32,89 39.978,90 58.41,91 0.653,92 0.494,93 37,94 3.304,95 1,96 1,97 1016,98 17.411,99 17.411,100 17.411,101 17.411,102 17.411,103 15.608,104 23.805,105 9.985,106 18.279,107 13.007,108 13.007,109 13.007,110 13.007,111 13.007,112 10.071,113 29.162,114 4.304,115 14.021,116 1.485,117 3.963,118 536,119 1.423,120 28.039,121 1,122 58,123 265,124 3.587,125 2.555,126 5.19,127 3.05,128 2.127,129 2.862,130 6.118,131 1.958,132 3.355,133 2.355,134 5.016,135 2.972,136 2.061,137 2.604,138 5.94,139 1.867,140 3.271,141 2.098,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 2.086,150 4.476,151 2.524,152 1.581,153 2.208,154 4.335,155 1.485,156 2.535,157 1.821,158 3.725,159 1.986,160 1.116,161 1.345,162 2.417,163 0.965,164 2.123,165 1.569,166 3.494,167 1.853,168 0.968,169 1.091,170 2.03,171 0.847,172 1.181,173 2.859,174 1.27,175 4.536}
{0 CHEMBL221172,1 34.483,2 0.735,3 0.761,4 0.772,5 0.804,7 1.112,8 1.051,9 0.867,11 1.057,12 1.208,13 0.719,14 1.484,15 0.918,17 -0.287,18 -0.317,19 -0.384,20 4.39,26 1,31 33.571,32 33,33 13.481,35 1,39 0.77,40 0.798,41 0.809,42 0.842,43 6.454,44 2.026,45 2.009,47 2,48 3.548,49 0.89,50 1.415,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.548,60 3.548,61 10.24,62 3.912,63 4.026,64 3.469,65 5.17,66 4.379,67 3.788,68 5.607,69 4.439,70 4.565,71 3.937,72 4.598,73 4.743,74 3.917,75 5.869,76 3.749,77 5.947,78 3.644,79 5.882,80 3.444,81 5.716,82 5.491,83 0.633,84 0.89,85 1.038,86 16.451,87 1.129,88 19.805,89 42.877,90 75.475,91 0.603,92 0.402,93 36,94 3.267,95 1,96 1,97 880,98 16.541,99 16.541,100 16.541,101 16.541,102 16.541,103 14.738,104 22.832,105 9.465,106 17.271,107 12.57,108 12.57,109 12.57,110 12.57,111 12.57,112 9.61,113 28.694,114 4.154,115 13.475,116 1.262,117 3.923,118 519,119 1.43,120 30.762,121 1,122 56,123 256,124 3.579,125 2.555,126 5.19,127 3.05,128 2.126,129 2.86,130 6.118,131 1.958,132 3.355,133 2.355,134 5.016,135 2.972,136 2.061,137 2.604,138 5.94,139 1.867,140 3.271,141 2.092,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 2.071,150 4.33,151 2.472,152 1.517,153 2.189,154 4.025,155 1.444,156 2.38,157 1.801,158 3.719,159 1.971,160 1.116,161 1.247,162 2.388,163 0.947,164 2.041,165 1.39,166 3.403,167 1.726,168 0.802,169 0.939,170 1.829,171 0.735,172 0.992,173 2.859,174 1.27,175 4.839}
{0 CHEMBL222461,1 29.993,2 0.731,3 0.756,4 0.766,5 0.796,7 1.166,8 1.107,9 0.931,11 1.013,12 1.196,13 0.696,14 1.5,15 0.713,17 -0.23,18 -0.309,19 -0.388,20 1.886,26 1,31 33.571,32 33,33 22.306,35 1,39 0.764,40 0.79,41 0.801,42 0.832,43 5.296,44 2.035,45 2.026,47 2,48 3.476,49 0.758,50 1.42,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.476,60 3.476,61 10.24,62 3.937,63 4.06,64 3.463,65 5.139,66 4.423,67 3.776,68 5.55,69 4.491,70 4.636,71 3.924,72 4.638,73 4.794,74 3.906,75 5.826,76 3.717,77 5.854,78 3.6,79 5.719,80 3.455,81 5.649,82 5.497,83 0.664,84 0.947,85 1.111,86 18.632,87 1.223,88 21.496,89 36.628,90 49.319,91 0.341,92 0.299,93 36,94 3.267,95 1,96 1,97 880,98 16.541,99 16.541,100 16.541,101 16.541,102 16.541,103 14.738,104 23.407,105 9.465,106 17.238,107 12.57,108 12.57,109 12.57,110 12.57,111 12.57,112 9.61,113 30.215,114 4.154,115 13.404,116 1.31,117 3.923,118 519,119 1.43,120 24.567,121 1,122 55,123 256,124 3.579,125 2.555,126 5.19,127 3.05,128 2.126,129 2.86,130 6.118,131 1.958,132 3.355,133 2.354,134 5.016,135 2.972,136 2.061,137 2.604,138 5.94,139 1.867,140 3.271,141 2.091,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 2.06,150 4.33,151 2.488,152 1.517,153 2.189,154 4.025,155 1.47,156 2.38,157 1.795,158 3.719,159 1.973,160 1.116,161 1.247,162 2.388,163 0.95,164 2.041,165 1.349,166 3.403,167 1.751,168 0.802,169 0.939,170 1.829,171 0.756,172 0.992,173 2.859,174 1.27,175 4.755}
{0 CHEMBL34259,1 111.973,2 0.838,3 0.874,4 0.88,5 0.88,6 3,7 0.45,8 0.414,9 0.414,10 179.493,11 0.931,12 0.821,13 1.162,14 1.074,15 1.065,16 2,17 -0.16,18 0.005,19 -0.066,20 5.37,21 1,22 1,23 3,24 3,25 3,26 0.667,27 1,28 1,29 3,30 25.186,31 246.239,32 184.344,33 41.033,34 1,35 1.125,36 0.125,37 34.311,38 -3.054,39 0.884,40 0.922,41 0.928,42 0.928,43 7.477,44 2.116,45 2.082,46 1.86,48 3.777,49 1.065,50 0.999,51 3,56 4.227,57 67.142,58 18.011,59 5.777,60 3.777,61 14.697,62 4.129,63 4.252,64 3.741,65 5.436,66 4.604,67 4.115,68 6.017,69 4.866,70 5.051,71 4.182,72 4.964,73 5.17,74 4.129,75 6.238,76 4.087,77 6.34,78 4.023,79 6.338,80 3.922,81 6.141,82 5.947,83 0.868,84 1.288,85 1.517,86 25.487,87 1.524,88 30.516,89 140.439,90 175.427,91 0.838,92 0.786,93 49,94 3.531,95 2,96 8,97 1988,98 21.378,99 21.378,100 21.378,101 21.378,102 21.378,103 18.861,104 26.293,105 12.441,106 21.807,107 17.228,108 17.228,109 17.228,110 17.228,111 17.228,112 13.344,113 32.22,114 5.908,115 17.937,116 0.668,117 4.207,118 1009,119 2.391,120 54.313,121 0.5,122 75,123 485,124 3.825,125 3.176,126 5.812,127 3.553,128 2.564,129 3.164,130 7.824,131 2.512,132 3.705,133 3.038,134 5.296,135 3.277,136 2.329,137 2.989,138 6.8,139 2.21,140 3.524,141 2.529,142 5.062,143 3.177,144 2.172,145 2.811,146 5.804,147 2.154,148 3.428,149 2.197,150 4.973,151 2.964,152 2.036,153 2.694,154 5.76,155 1.882,156 3.369,157 2.149,158 4.645,159 2.881,160 1.956,161 2.685,162 5.121,163 1.804,164 2.966,165 2.064,166 4.315,167 2.555,168 1.573,169 2.034,170 4.051,171 1.53,172 1.979,173 3.981,174 2.227,175 7.869}
{0 CHEMBL384443,1 31.76,2 0.732,3 0.761,4 0.772,5 0.807,7 1.078,8 1.013,9 0.816,11 1.071,12 1.213,13 0.673,14 1.414,15 1.01,17 -0.299,18 -0.195,19 -0.341,20 4.299,26 1,31 45.342,32 33,33 10.947,35 1,39 0.77,40 0.8,41 0.812,42 0.849,43 6.454,44 2.021,45 2.004,47 2,48 3.543,49 0.954,50 1.265,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.543,60 3.543,61 10.208,62 3.853,63 3.963,64 3.431,65 5.137,66 4.306,67 3.735,68 5.567,69 4.362,70 4.481,71 3.87,72 4.506,73 4.653,74 3.815,75 5.783,76 3.692,77 5.828,78 3.575,79 5.816,80 3.36,81 5.614,82 5.417,83 0.595,84 0.827,85 0.949,86 14.527,87 1.002,88 17.754,89 45.24,90 69.262,91 0.569,92 0.422,93 34,94 3.228,95 1,96 1,97 802,98 16.041,99 16.041,100 16.041,101 16.041,102 16.041,103 14.291,104 21.813,105 9.261,106 16.764,107 12.086,108 12.086,109 12.086,110 12.086,111 12.086,112 9.212,113 26.036,114 4.076,115 12.982,116 1.239,117 3.886,118 498,119 1.458,120 29.34,121 1,122 54,123 245,124 3.579,125 2.555,126 5.19,127 3.047,128 2.122,129 2.855,130 6.118,131 1.957,132 3.355,133 2.354,134 4.961,135 2.972,136 2.061,137 2.604,138 5.824,139 1.867,140 3.266,141 2.073,142 4.35,143 2.519,144 1.571,145 2.252,146 4.111,147 1.485,148 2.789,149 1.82,150 4.138,151 2.316,152 1.388,153 1.852,154 3.608,155 1.283,156 2.361,157 1.652,158 3.671,159 1.927,160 1.08,161 1.203,162 2.23,163 0.906,164 2.03,165 1.017,166 3.101,167 1.547,168 0.616,169 0.828,170 1.356,171 0.569,172 0.916,173 2.859,174 1.27,175 4.674}
{0 CHEMBL437567,1 114.411,2 0.834,3 0.872,4 0.879,5 0.879,6 3,7 0.438,8 0.399,9 0.399,10 169.585,11 0.945,12 0.832,13 1.143,14 1.13,15 1.129,16 2,17 -0.175,18 -0.072,19 -0.126,20 5.371,21 1,22 1,23 3,24 3,25 3,26 0.667,27 1,28 1,29 3,30 23.08,31 246.239,32 184.344,33 39.295,34 1,35 1.125,36 0.125,37 34.301,38 -3.09,39 0.883,40 0.923,41 0.93,42 0.93,43 7.477,44 2.119,45 2.083,46 1.691,48 3.777,49 1.147,50 1.105,51 3,56 6.555,57 67.142,58 18.011,59 5.777,60 3.777,61 13.875,62 4.082,63 4.202,64 3.713,65 5.413,66 4.544,67 4.096,68 5.996,69 4.806,70 4.987,71 4.175,72 4.886,73 5.073,74 4.125,75 6.222,76 4.083,77 6.333,78 4.01,79 6.301,80 3.88,81 6.148,82 5.914,83 0.829,84 1.226,85 1.443,86 23.257,87 1.454,88 26.192,89 138.47,90 168.079,91 0.9,92 0.767,93 48,94 3.502,95 3,96 7,97 1764,98 20.723,99 20.723,100 20.723,101 20.723,102 20.723,103 18.23,104 25.745,105 11.988,106 21.153,107 16.712,108 16.712,109 16.712,110 16.712,111 16.712,112 12.852,113 32.313,114 5.668,115 17.428,116 0.668,117 4.177,118 924,119 2.266,120 54.111,121 0.67,122 73,123 444,124 3.845,125 3.251,126 5.824,127 3.577,128 2.585,129 3.089,130 7.864,131 2.544,132 3.608,133 3.023,134 5.226,135 3.181,136 2.206,137 2.965,138 6.375,139 2.157,140 3.524,141 2.353,142 5.062,143 3.136,144 2.169,145 2.811,146 5.799,147 2.063,148 3.426,149 2.188,150 4.981,151 2.946,152 2.016,153 2.689,154 5.711,155 1.869,156 3.344,157 2.126,158 4.645,159 2.86,160 1.921,161 2.655,162 5.12,163 1.791,164 2.88,165 2.053,166 4.237,167 2.44,168 1.452,169 1.934,170 3.8,171 1.418,172 1.795,173 3.754,174 2.152,175 7.824}
{0 CHEMBL457905,1 25.399,2 0.752,3 0.834,4 0.853,5 0.853,7 0.648,8 0.536,9 0.536,11 1.033,12 1.244,13 0.794,14 1.326,15 0.711,17 -0.256,18 -0.242,19 -0.306,20 2.103,26 1,31 33.571,32 11,33 22.306,35 1,39 0.797,40 0.885,41 0.905,42 0.905,43 5.295,44 2.069,45 2.077,47 2,48 3.424,49 0.759,50 1.237,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.424,60 3.424,61 11.593,62 3.969,63 4.097,64 3.514,65 5.145,66 4.437,67 3.842,68 5.557,69 4.609,70 4.79,71 3.927,72 4.682,73 4.864,74 3.882,75 5.805,76 3.747,77 5.795,78 3.666,79 5.662,80 3.554,81 5.615,82 5.554,83 0.7,84 1.068,85 1.269,86 20.561,87 1.325,88 22.076,89 34.976,90 37.509,91 0.181,92 0.179,93 40,94 3.34,95 1,96 2,97 1106,98 18.077,99 18.077,100 18.077,101 18.077,102 18.077,103 15.586,104 17.569,105 10.61,106 18.435,107 14.215,108 14.215,109 14.215,110 14.215,111 14.215,112 10.438,113 22.23,114 4.917,115 14.696,116 1.138,117 4.019,118 662,119 1.786,120 18.781,121 1,122 57,123 313,124 3.719,125 2.416,126 5.203,127 3.147,128 2.183,129 3.018,130 6.194,131 2.104,132 3.481,133 2.347,134 5.015,135 3.042,136 2.113,137 2.804,138 5.931,139 1.953,140 3.258,141 2.09,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 1.91,150 4.206,151 2.544,152 1.57,153 2.21,154 3.807,155 1.529,156 2.964,157 1.68,158 4.134,159 2.478,160 1.495,161 2.125,162 3.699,163 1.46,164 2.638,165 1.364,166 3.514,167 2.095,168 1.099,169 1.649,170 2.627,171 1.094,172 1.102,173 3.442,174 2,175 4.762}
{0 CHEMBL485959,1 29.286,2 0.734,3 0.758,4 0.769,5 0.799,7 1.15,8 1.091,9 0.915,11 1.013,12 1.163,13 0.741,14 1.371,15 0.749,17 -0.197,18 -0.213,19 -0.288,20 1.916,26 1,30 5.069,31 33.571,32 33,33 18.55,35 1,39 0.767,40 0.793,41 0.804,42 0.835,43 5.294,44 2.03,45 2.018,47 2,48 3.389,49 0.837,50 1.326,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.389,60 3.389,61 10.4,62 3.937,63 4.06,64 3.463,65 5.133,66 4.423,67 3.757,68 5.542,69 4.489,70 4.645,71 3.904,72 4.614,73 4.777,74 3.898,75 5.792,76 3.689,77 5.849,78 3.413,79 5.69,80 3.347,81 5.438,82 5.326,83 0.664,84 0.943,85 1.09,86 18.863,87 1.189,88 21.276,89 35.471,90 55.653,91 0.272,92 0.201,93 35,94 3.266,95 1,96 1,97 851,98 16.911,99 16.911,100 16.911,101 16.911,102 16.911,103 15.059,104 23.939,105 9.83,106 17.599,107 12.546,108 12.546,109 12.546,110 12.546,111 12.546,112 9.544,113 28.83,114 4.25,115 13.379,116 1.293,117 3.928,118 527,119 1.392,120 24.667,121 1,122 55,123 260,124 3.517,125 2.555,126 5.19,127 3.052,128 2.127,129 2.829,130 6.118,131 1.959,132 3.355,133 2.352,134 5.043,135 2.972,136 2.061,137 2.604,138 5.939,139 1.867,140 3.313,141 2.221,142 5.014,143 2.92,144 1.976,145 2.546,146 5.671,147 1.864,148 3.261,149 2.027,150 3.861,151 2.329,152 1.359,153 2.117,154 3.08,155 1.316,156 2.209,157 1.785,158 3.693,159 1.968,160 1.127,161 1.187,162 2.365,163 0.94,164 1.801,165 1.344,166 3.153,167 1.633,168 0.661,169 0.722,170 1.344,171 0.64,172 0.995,173 2.859,174 1.27,175 6.261}
{0 CHEMBL485960,1 23.062,2 0.765,3 0.813,4 0.831,5 0.858,7 0.757,8 0.657,9 0.507,11 1.037,12 1.224,13 0.745,14 1.402,15 0.807,17 -0.255,18 -0.274,19 -0.345,20 1.825,26 1,30 2.535,31 33.571,32 22,33 16.016,35 1,39 0.807,40 0.858,41 0.877,42 0.905,43 5.295,44 2.024,45 2.016,47 2,48 3.319,49 0.962,50 1.318,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.319,60 3.319,61 9.545,62 3.78,63 3.906,64 3.329,65 5.002,66 4.241,67 3.628,68 5.41,69 4.306,70 4.46,71 3.699,72 4.424,73 4.597,74 3.6,75 5.601,76 3.341,77 5.545,78 3.219,79 5.286,80 3.279,81 5.167,82 5.293,83 0.582,84 0.83,85 0.942,86 14.888,87 0.994,88 17.203,89 32.377,90 36.15,91 0.211,92 0.222,93 31,94 3.146,95 1,96 3,97 604,98 14.671,99 14.671,100 14.671,101 14.671,102 14.671,103 12.766,104 19.717,105 8.579,106 15.208,107 11.187,108 11.187,109 11.187,110 11.187,111 11.187,112 8.297,113 24.081,114 3.863,115 11.86,116 1.025,117 3.804,118 429,119 1.264,120 19.856,121 1,122 48,123 210,124 3.537,125 2.491,126 5.016,127 3.059,128 2.136,129 2.844,130 5.941,131 1.966,132 3.311,133 2.292,134 4.879,135 2.815,136 1.879,137 2.481,138 5.225,139 1.756,140 3.232,141 2.089,142 4.415,143 2.662,144 1.697,145 2.279,146 4.353,147 1.628,148 2.877,149 1.637,150 3.662,151 2.192,152 1.206,153 1.88,154 2.802,155 1.187,156 1.96,157 1.283,158 3.142,159 1.66,160 0.777,161 0.883,162 1.441,163 0.677,164 1.615,165 1.159,166 2.954,167 1.418,168 0.47,169 0.519,170 1.019,171 0.443,172 0.914,173 2.653,174 1.181,175 5.931}
{0 CHEMBL485961,1 24.428,2 0.776,3 0.82,4 0.837,5 0.861,7 0.75,8 0.657,9 0.518,11 1.028,12 1.198,13 0.791,14 1.313,15 0.911,17 -0.216,18 -0.173,19 -0.259,20 1.901,26 1,30 5.069,31 33.571,32 22,33 18.55,35 1,39 0.816,40 0.862,41 0.879,42 0.905,43 5.294,44 2.028,45 2.019,47 2,48 3.338,49 1.035,50 1.258,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.338,60 3.338,61 9.609,62 3.844,63 3.973,64 3.37,65 5.036,66 4.319,67 3.663,68 5.448,69 4.412,70 4.589,71 3.754,72 4.496,73 4.672,74 3.686,75 5.648,76 3.5,77 5.65,78 3.309,79 5.488,80 3.331,81 5.266,82 5.345,83 0.621,84 0.893,85 1.023,86 17.501,87 1.082,88 18.987,89 33.932,90 46.506,91 0.227,92 0.235,93 32,94 3.188,95 1,96 3,97 687,98 15.541,99 15.541,100 15.541,101 15.541,102 15.541,103 13.689,104 20.929,105 9.103,106 16.07,107 11.625,108 11.625,109 11.625,110 11.625,111 11.625,112 8.724,113 24.081,114 4.021,115 12.296,116 1,117 3.848,118 450,119 1.259,120 20.737,121 1,122 50,123 221,124 3.537,125 2.496,126 5.043,127 3.061,128 2.139,129 2.845,130 5.942,131 1.967,132 3.335,133 2.294,134 5.015,135 2.922,136 1.977,137 2.547,138 5.671,139 1.866,140 3.28,141 2.213,142 4.416,143 2.664,144 1.7,145 2.287,146 4.355,147 1.63,148 2.878,149 1.656,150 3.739,151 2.219,152 1.237,153 1.889,154 2.889,155 1.213,156 1.964,157 1.327,158 3.215,159 1.695,160 0.784,161 0.892,162 1.525,163 0.704,164 1.792,165 1.185,166 3,167 1.579,168 0.636,169 0.701,170 1.171,171 0.598,172 0.915,173 2.761,174 1.229,175 6.287}
{0 CHEMBL485962,1 26.218,2 0.786,3 0.827,4 0.842,5 0.864,7 0.745,8 0.658,9 0.527,11 1.02,12 1.175,13 0.831,14 1.238,15 0.85,17 -0.181,18 -0.159,19 -0.183,20 1.955,26 1,30 7.604,31 33.571,32 22,33 21.085,35 1,39 0.823,40 0.865,41 0.881,42 0.905,43 5.293,44 2.031,45 2.023,47 2,48 3.341,49 0.977,50 1.228,51 3,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.341,60 3.341,61 9.708,62 3.904,63 4.035,64 3.409,65 5.069,66 4.392,67 3.697,68 5.487,69 4.508,70 4.701,71 3.785,72 4.585,73 4.777,74 3.741,75 5.692,76 3.595,77 5.695,78 3.473,79 5.598,80 3.412,81 5.472,82 5.429,83 0.659,84 0.955,85 1.102,86 19.892,87 1.162,88 21.458,89 35.898,90 43.66,91 0.275,92 0.259,93 33,94 3.228,95 1,96 3,97 782,98 16.248,99 16.248,100 16.248,101 16.248,102 16.248,103 14.396,104 20.929,105 9.713,106 16.777,107 12.163,108 12.163,109 12.163,110 12.163,111 12.163,112 9.285,113 24.081,114 4.325,115 12.831,116 0.979,117 3.89,118 473,119 1.281,120 21.472,121 1,122 52,123 233,124 3.537,125 2.497,126 5.063,127 3.063,128 2.141,129 2.845,130 5.944,131 1.968,132 3.347,133 2.297,134 5.015,135 2.962,136 2.011,137 2.56,138 5.783,139 1.911,140 3.285,141 2.243,142 4.416,143 2.664,144 1.701,145 2.288,146 4.356,147 1.63,148 2.878,149 1.665,150 3.776,151 2.263,152 1.285,153 1.892,154 2.969,155 1.254,156 2.196,157 1.368,158 3.304,159 2.021,160 1.03,161 1.16,162 1.941,163 1.019,164 1.957,165 1.202,166 3.051,167 1.653,168 0.773,169 0.877,170 1.368,171 0.672,172 0.917,173 2.88,174 1.39,175 5.26}
{0 CHEMBL486570,1 25.422,2 0.785,3 0.828,4 0.837,5 0.861,7 0.704,8 0.657,9 0.518,11 1.028,12 1.194,13 0.791,14 1.301,15 0.88,17 -0.213,18 -0.174,19 -0.252,20 1.901,26 1,30 5.069,31 33.571,32 22,33 18.55,35 1,39 0.824,40 0.87,41 0.879,42 0.905,43 5.294,44 2.028,45 2.02,47 2,48 3.371,49 1.165,50 1.259,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.371,60 3.371,61 9.609,62 3.844,63 3.973,64 3.37,65 5.037,66 4.319,67 3.663,68 5.441,69 4.414,70 4.589,71 3.79,72 4.505,73 4.672,74 3.746,75 5.681,76 3.503,77 5.698,78 3.234,79 5.504,80 3.273,81 5.213,82 5.286,83 0.621,84 0.893,85 1.023,86 17.544,87 1.083,88 19.15,89 34.082,90 48.283,91 0.164,92 0.234,93 32,94 3.188,95 1,96 3,97 671,98 15.593,99 15.593,100 15.593,101 15.593,102 15.593,103 13.714,104 19.535,105 9.141,106 16.109,107 11.619,108 11.619,109 11.619,110 11.619,111 11.619,112 8.705,113 21.497,114 3.987,115 12.274,116 0.954,117 3.848,118 450,119 1.259,120 20.95,121 1,122 50,123 221,124 3.393,125 2.353,126 5.043,127 3.017,128 2.073,129 2.636,130 5.933,131 1.94,132 3.3,133 2.223,134 5.014,135 2.919,136 1.975,137 2.545,138 5.67,139 1.863,140 3.236,141 2.135,142 4.125,143 2.471,144 1.525,145 2.114,146 3.556,147 1.439,148 2.917,149 1.755,150 3.756,151 2.341,152 1.366,153 2.085,154 3.032,155 1.326,156 2.06,157 1.414,158 3.336,159 1.827,160 0.92,161 1.011,162 1.886,163 0.825,164 1.788,165 1.165,166 3,167 1.559,168 0.602,169 0.68,170 1.121,171 0.574,172 0.914,173 2.734,174 1.21,175 5.036}
{0 CHEMBL501263,1 21.195,2 0.756,3 0.816,4 0.831,5 0.831,7 0.672,8 0.593,9 0.593,11 1.178,12 1.301,13 0.916,14 1.209,15 0.744,17 -0.272,18 -0.157,19 -0.218,20 1.844,26 1,30 5.069,31 33.571,33 18.55,35 1,39 0.804,40 0.869,41 0.884,42 0.884,43 5.293,44 2.024,45 2.026,47 2,48 3.329,49 0.72,50 1.164,51 2,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.329,60 3.329,61 8.737,62 3.628,63 3.772,64 3.153,65 4.81,66 4.074,67 3.442,68 5.213,69 4.245,70 4.468,71 3.454,72 4.208,73 4.428,74 3.336,75 5.34,76 3.131,77 5.276,78 2.94,79 5.124,80 2.995,81 4.881,82 4.972,83 0.529,84 0.783,85 0.892,86 14.98,87 0.848,88 14.325,89 26.862,90 33.167,91 0.068,92 0.101,93 26,94 3.009,95 1,96 4,97 439,98 12.853,99 12.853,100 12.853,101 12.853,102 12.853,103 10.974,104 13.788,105 7.806,106 13.031,107 9.815,108 9.815,109 9.815,110 9.815,111 9.815,112 7.08,113 14.886,114 3.623,115 10.119,116 1.003,117 3.668,118 343,119 1.175,120 13.527,121 1,122 40,123 166,124 3.332,125 2.222,126 5.014,127 2.921,128 1.976,129 2.547,130 5.671,131 1.866,132 3.278,133 2,134 3.796,135 2.574,136 1.579,137 2.283,138 3.321,139 1.57,140 2.885,141 1.507,142 3.577,143 2.226,144 1.24,145 1.92,146 2.77,147 1.221,148 2.5,149 1.238,150 3.247,151 2,152 1,153 1.5,154 2.136,155 1,156 1.803,157 1,158 3.098,159 1.631,160 0.646,161 0.718,162 1.337,163 0.635,164 1.423,165 0.404,166 2.736,167 1.174,168 0.209,169 0.239,170 0.362,171 0.201,172 -0.128,173 2.451,174 0.666,175 5.495}
{0 CHEMBL520358,1 26.545,2 0.754,3 0.844,4 0.853,5 0.853,7 0.592,8 0.536,9 0.536,11 1.033,12 1.248,13 0.794,14 1.31,15 0.69,17 -0.259,18 -0.229,19 -0.287,20 1.979,26 1,31 33.571,32 11,33 22.306,35 1,39 0.8,40 0.895,41 0.905,42 0.905,43 5.295,44 2.07,45 2.079,47 2,48 3.423,49 0.557,50 1.221,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.423,60 3.423,61 10.889,62 3.969,63 4.097,64 3.514,65 5.144,66 4.437,67 3.842,68 5.562,69 4.609,70 4.79,71 3.904,72 4.675,73 4.866,74 3.852,75 5.771,76 3.779,77 5.76,78 3.772,79 5.712,80 3.662,81 5.736,82 5.624,83 0.7,84 1.068,85 1.269,86 20.588,87 1.321,88 21.965,89 33.64,90 35.758,91 0.198,92 0.213,93 40,94 3.34,95 1,96 2,97 1136,98 18.024,99 18.024,100 18.024,101 18.024,102 18.024,103 15.561,104 17.569,105 10.609,106 18.39,107 14.238,108 14.238,109 14.238,110 14.238,111 14.238,112 10.462,113 22.23,114 4.97,115 14.728,116 1.123,117 4.019,118 621,119 1.547,120 18.763,121 1,122 57,123 294,124 3.762,125 2.63,126 5.246,127 3.234,128 2.286,129 3.022,130 6.564,131 2.164,132 3.475,133 2.35,134 5.015,135 3.043,136 2.12,137 2.756,138 5.935,139 1.952,140 3.246,141 2.09,142 4.879,143 2.815,144 1.879,145 2.491,146 5.225,147 1.756,148 3.232,149 1.932,150 4.426,151 2.751,152 1.765,153 2.481,154 4.406,155 1.735,156 3.18,157 1.695,158 4.123,159 2.397,160 1.41,161 2.115,162 3.623,163 1.389,164 2.582,165 1.344,166 3.497,167 2.068,168 1.073,169 1.599,170 2.608,171 1.067,172 1.103,173 3.441,174 2,175 5.339}
{0 CHEMBL521055,1 22.27,2 0.766,3 0.818,4 0.838,5 0.867,7 0.689,8 0.581,9 0.419,11 1.049,12 1.221,13 0.697,14 1.315,15 0.936,17 -0.263,18 -0.127,19 -0.282,20 1.798,26 1,30 2.535,31 45.342,32 22,33 13.481,35 1,39 0.812,40 0.868,41 0.888,42 0.92,43 5.303,44 2.018,45 2.012,47 2,48 3.257,49 1.05,50 1.143,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.257,60 3.257,61 9.524,62 3.712,63 3.835,64 3.286,65 4.962,66 4.157,67 3.566,68 5.36,69 4.218,70 4.367,71 3.614,72 4.313,73 4.493,74 3.456,75 5.487,76 3.254,77 5.353,78 3.161,79 5.185,80 3.195,81 5.096,82 5.207,83 0.544,84 0.766,85 0.854,86 13.051,87 0.87,88 15.26,89 34.2,90 31.863,91 0.208,92 0.253,93 29,94 3.102,95 1,96 2,97 555,98 14.171,99 14.171,100 14.171,101 14.171,102 14.171,103 12.319,104 18.697,105 8.375,106 14.702,107 10.703,108 10.703,109 10.703,110 10.703,111 10.703,112 7.899,113 21.422,114 3.786,115 11.368,116 0.98,117 3.762,118 410,119 1.306,120 18.638,121 1,122 46,123 200,124 3.537,125 2.482,126 4.961,127 3.057,128 2.132,129 2.843,130 5.823,131 1.965,132 3.301,133 2.29,134 4.418,135 2.667,136 1.707,137 2.313,138 4.362,139 1.632,140 2.892,141 1.742,142 4.179,143 2.416,144 1.476,145 2.011,146 3.785,147 1.384,148 2.764,149 1.486,150 3.443,151 2.041,152 1.059,153 1.693,154 2.405,155 1.038,156 1.956,157 1.214,158 3.055,159 1.642,160 0.769,161 0.874,162 1.351,163 0.664,164 1.542,165 0.915,166 2.819,167 1.272,168 0.372,169 0.42,170 0.68,171 0.328,172 0.757,173 2.567,174 1.148,175 5.77}
{0 CHEMBL574335,1 31.826,2 0.743,3 0.766,4 0.776,5 0.804,7 1.136,8 1.081,9 0.915,11 1.005,12 1.172,13 0.74,14 1.435,15 0.692,17 -0.195,18 -0.254,19 -0.313,20 1.928,26 1,30 2.535,31 33.571,32 33,33 24.841,35 1,39 0.775,40 0.799,41 0.809,42 0.838,43 5.296,44 2.04,45 2.034,47 2,48 3.494,49 0.733,50 1.369,51 1,52 2,53 2,54 1,55 2,56 38.288,57 67.632,58 34.061,59 5.494,60 3.494,61 10.192,62 3.991,63 4.117,64 3.499,65 5.17,66 4.488,67 3.807,68 5.582,69 4.58,70 4.744,71 3.967,72 4.717,73 4.882,74 3.97,75 5.879,76 3.802,77 5.911,78 3.752,79 5.793,80 3.696,81 5.805,82 5.748,83 0.702,84 1.01,85 1.193,86 21.156,87 1.323,88 23.9,89 39.184,90 48.17,91 0.386,92 0.378,93 37,94 3.304,95 1,96 1,97 1016,98 17.411,99 17.411,100 17.411,101 17.411,102 17.411,103 15.608,104 23.407,105 9.985,106 18.108,107 13.007,108 13.007,109 13.007,110 13.007,111 13.007,112 10.071,113 30.215,114 4.304,115 13.842,116 1.271,117 3.963,118 536,119 1.423,120 25.435,121 1,122 57,123 265,124 3.587,125 2.555,126 5.19,127 3.05,128 2.127,129 2.862,130 6.118,131 1.958,132 3.355,133 2.354,134 5.016,135 2.972,136 2.061,137 2.604,138 5.94,139 1.867,140 3.271,141 2.091,142 4.879,143 2.815,144 1.879,145 2.481,146 5.225,147 1.756,148 3.232,149 2.066,150 4.476,151 2.555,152 1.581,153 2.208,154 4.335,155 1.537,156 2.535,157 1.798,158 3.725,159 2.002,160 1.116,161 1.345,162 2.417,163 0.991,164 2.123,165 1.381,166 3.494,167 1.896,168 0.968,169 1.091,170 2.03,171 0.883,172 0.992,173 2.859,174 1.295,175 5.236}