@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1075289

@attribute molecule_id {CHEMBL1084269,CHEMBL2207426,CHEMBL2207427,CHEMBL2207428,CHEMBL2207429,CHEMBL2207430,CHEMBL2207432,CHEMBL2207433,CHEMBL2207435,CHEMBL2207436,CHEMBL2207437,CHEMBL2207438,CHEMBL2207439,CHEMBL2207440,CHEMBL2207441,CHEMBL2207823,CHEMBL570380,CHEMBL585927}
@attribute C. numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP_A numeric
@attribute Eta_FL_A numeric
@attribute GATS1v numeric
@attribute GGI7 numeric
@attribute Mp numeric
@attribute Mv numeric
@attribute PCD numeric
@attribute piID numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.m. numeric
@attribute MATS5i numeric
@attribute ATSC8s numeric
@attribute MATS4s numeric
@attribute DLS_04 numeric
@attribute Eta_beta numeric
@attribute Eta_betaP numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute nCar numeric
@attribute nCsp2 numeric
@attribute PCR numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.v. numeric
@attribute Ui numeric
@attribute SsCH3 numeric
@attribute D.Dtr10 numeric
@attribute Eta_L_A numeric
@attribute MATS1v numeric
@attribute nR10 numeric
@attribute SpMin2_Bh.i. numeric
@attribute H.050 numeric
@attribute Hy numeric
@attribute LLS_01 numeric
@attribute nHDon numeric
@attribute SAdon numeric
@attribute HNar numeric
@attribute Eta_sh_p numeric
@attribute P_VSA_m_2 numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR 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 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 C.001 numeric
@attribute C.002 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.043 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL 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 CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute pXC50 numeric

@data
{1 40,2 1.348,3 0.697,4 0.265,5 0.974,6 0.535,7 0.659,8 0.631,9 3.762,10 11.533,11 6.499,12 6.787,13 7.159,14 7.351,15 1.925,16 1.894,17 2.041,18 2.033,19 2.034,20 1.808,21 1.992,22 0.089,23 77.464,24 0.102,25 0.8,26 44.5,27 23,28 1.051,29 8.746,30 17,31 18,32 1.484,33 5.571,34 5.971,35 1.964,36 1.952,37 3.7,38 8.27,40 0.213,41 -0.004,43 1.775,44 3,45 0.862,46 0.17,47 3,48 52.685,49 1.913,50 0.151,51 264.002,52 1.572,53 14.03,54 4.88,55 23.814,56 126.239,57 7.426,58 0.611,59 4.194,60 4.328,61 3.758,62 3.686,63 5.328,64 3.678,65 4.7,66 4.882,67 4.123,68 4.056,69 5.807,70 4.034,71 4.907,72 5.1,73 4.095,74 4.157,75 5.99,76 4.096,77 5.068,78 5.342,79 4.055,80 4.132,81 6.059,82 4.046,83 4.875,84 5.112,85 4.051,86 4.039,87 5.964,88 3.996,89 4.808,90 5.013,91 4.052,92 4.084,93 5.893,94 4.039,95 4.972,96 5.194,97 4.101,98 4.146,99 6.14,100 4.08,101 4.994,102 5.244,103 3.859,104 4.08,105 6.028,106 3.975,107 0.092,108 0.942,109 12.405,110 4.968,111 10.396,112 6.764,113 0.314,114 1.433,115 22.741,116 8.107,117 31.883,118 11.481,119 0.417,120 1.665,121 28.586,122 9.404,123 40.54,124 13.478,125 0.641,126 1.728,127 37.992,128 10.892,129 66.156,130 16.823,131 0.57,132 1.545,133 29.789,134 8.243,135 49.072,136 12.562,137 0.332,138 1.533,139 26.138,140 8.276,141 36.624,142 12.024,143 0.546,144 1.679,145 32.177,146 10.141,147 69.64,148 14.773,149 0.606,150 1.596,151 34.748,152 10.214,153 14.876,154 27,155 51,156 0.252,157 0.611,158 0.75,159 0.814,160 0.82,161 0.82,162 3.531,163 0.884,164 -4.56,165 -4.49,166 -4.22,167 4,169 1,171 1,177 8,178 1,179 2,180 2,181 1,182 1,184 1,185 1,187 1,189 1,190 1,191 9,193 8,194 4,195 1,196 3,197 10,198 1,199 11,200 2,201 1,203 7,204 3,205 8,206 2,208 5,209 2,210 1,211 2,212 3,213 1,214 6,215 5,216 1,217 8,218 1,220 5,221 11,222 3,223 7,224 2,226 8,227 8,229 4,230 2,232 2,233 7,234 1,235 8,237 5,238 8,239 2094,240 21.797,241 21.797,242 21.797,243 21.797,244 21.797,245 19.029,246 32.036,247 12.849,248 22.256,249 17.822,250 17.822,251 17.822,252 17.822,253 17.822,254 13.632,255 43.551,256 6.215,257 18.56,258 4.335,259 2.101,260 1.234,261 0.834,262 0.801,263 0.801,264 4.222,265 1,266 996,267 4.123,268 208.663,269 240.575,271 2.092,272 25.995,273 1,274 0.83,275 1,276 0.5,277 1,278 0.88,279 71.5,280 463,281 4.582,282 6.721}
{0 CHEMBL2207426,1 41,2 1.311,3 0.667,4 0.257,5 0.951,6 0.579,7 0.661,8 0.629,9 4.046,10 12,11 6.987,12 7.336,13 7.5,14 7.69,15 1.936,16 1.911,17 2.041,18 2.046,19 2.039,20 1.923,21 2.016,22 0.044,23 115.456,24 -0.063,25 0.8,26 43.25,27 22,28 1.097,29 8.473,30 17,31 19,32 1.509,33 5.773,34 6.293,35 2.021,36 2.022,37 3.755,38 9.832,40 0.218,41 0.026,43 1.893,44 4,45 1.543,47 4,48 70.818,49 1.842,50 0.203,51 248.479,52 1.534,53 12.424,54 4.982,55 24.82,56 127.883,57 7.288,58 0.583,59 4.201,60 4.337,61 3.744,62 3.72,63 5.322,64 3.7,65 4.715,66 4.9,67 4.143,68 4.118,69 5.82,70 4.082,71 4.948,72 5.138,73 4.187,74 4.251,75 6.072,76 4.189,77 5.128,78 5.388,79 4.161,80 4.24,81 6.168,82 4.166,83 4.973,84 5.206,85 4.12,86 4.147,87 6.081,88 4.093,89 4.905,90 5.113,91 4.124,92 4.14,93 6.076,94 4.098,95 4.986,96 5.195,97 4.083,98 4.209,99 6.127,100 4.133,101 5.083,102 5.331,103 3.964,104 4.193,105 6.208,106 4.079,107 0.064,108 0.943,109 12.807,110 5.125,111 9.314,112 7.085,113 0.288,114 1.471,115 23.228,116 8.672,117 30.952,118 12.437,119 0.305,120 1.787,121 29.8,122 10.5,123 42.053,124 14.954,125 0.517,126 1.93,127 39.567,128 11.436,129 69.707,130 17.407,131 0.481,132 1.711,133 32.801,134 9.668,135 52.045,136 14.411,137 0.367,138 1.619,139 29.851,140 9.321,141 52.798,142 13.361,143 0.326,144 1.708,145 32.379,146 11.095,147 61.905,148 15.552,149 0.766,150 1.766,151 38.033,152 11.738,153 17,154 55,155 53,156 0.245,157 0.596,158 0.738,159 0.808,160 0.815,161 0.815,162 3.532,163 0.896,164 -4.29,165 -4.23,166 -3.99,167 4,169 1,170 1,177 9,178 2,179 2,181 1,184 2,185 1,186 1,187 1,189 1,191 12,193 5,194 4,195 1,196 4,197 13,199 9,200 2,201 2,202 5,203 9,204 1,205 9,206 1,208 9,209 3,210 1,211 5,212 2,213 1,214 8,215 4,217 9,218 1,219 1,220 8,221 10,223 8,224 1,226 7,227 10,228 1,229 5,230 3,231 1,232 1,233 9,235 3,237 4,238 14,239 1917,240 21.599,241 21.599,242 21.599,243 21.599,244 21.599,245 18.954,246 28.849,247 12.334,248 21.894,249 17.709,250 17.709,251 17.709,252 17.709,253 17.709,254 13.492,255 35.513,256 5.813,257 18.135,258 4.397,259 2.204,260 1.313,261 0.878,262 0.833,263 0.833,264 4.219,265 1,266 876,267 4.416,268 173.371,269 203.682,270 145.859,271 1.684,272 28.904,273 1,274 1,275 1,276 0.5,277 1,278 0.9,279 71,280 410,281 4.591,282 5.556}
{0 CHEMBL2207427,1 40.3,2 1.264,3 0.629,4 0.24,5 0.988,6 0.654,7 0.654,8 0.618,9 4.056,10 12.155,11 7.012,12 7.379,13 7.542,14 7.744,15 1.936,16 1.911,17 2.041,18 2.046,19 2.039,20 1.923,21 2.016,22 0.021,23 113.691,24 0.018,25 0.8,26 44.25,27 22,28 1.071,29 8.406,30 17,31 19,32 1.501,33 5.791,34 6.304,35 2.021,36 2.022,37 3.755,38 12.084,40 0.231,41 0.023,43 1.893,44 4,45 1.491,47 4,48 70.818,49 1.818,50 0.221,51 257.733,52 1.501,53 13.229,54 5.708,55 32.585,56 137.049,57 7.054,58 0.553,59 4.284,60 4.423,61 3.798,62 3.802,63 5.374,64 3.773,65 4.811,66 5.003,67 4.202,68 4.2,69 5.884,70 4.154,71 5.067,72 5.272,73 4.233,74 4.337,75 6.145,76 4.263,77 5.236,78 5.509,79 4.234,80 4.326,81 6.247,82 4.242,83 5.061,84 5.286,85 4.2,86 4.228,87 6.204,88 4.178,89 4.994,90 5.198,91 4.203,92 4.247,93 6.154,94 4.201,95 5.127,96 5.354,97 4.16,98 4.332,99 6.199,100 4.238,101 5.153,102 5.39,103 4.088,104 4.311,105 6.274,106 4.2,107 0.078,108 1.02,109 14.645,110 5.799,111 10.967,112 8.175,113 0.3,114 1.605,115 26.425,116 9.801,117 33.761,118 14.293,119 0.395,120 1.976,121 35.053,122 11.645,123 49.908,124 17.166,125 0.53,126 2.094,127 44.542,128 13.023,129 71.158,130 20.198,131 0.584,132 1.835,133 36.571,134 10.523,135 72.234,136 15.633,137 0.422,138 1.795,139 33.134,140 10.064,141 57.338,142 14.8,143 0.375,144 1.924,145 38.349,146 13.169,147 66.753,148 18.952,149 0.741,150 1.935,151 40.344,152 12.897,153 18.806,154 71,155 56,156 0.236,157 0.57,158 0.701,159 0.797,160 0.804,161 0.804,162 3.588,163 0.923,164 -4.7,165 -4.61,166 -4.34,167 6,169 1,172 1,177 9,178 2,179 2,181 1,184 2,185 1,186 1,187 1,189 1,191 12,193 5,194 4,195 1,196 6,197 14,199 9,200 2,201 2,202 5,203 9,204 1,205 11,206 1,208 9,209 3,210 1,211 5,212 2,213 1,214 10,215 6,217 9,218 1,219 1,220 8,221 12,223 8,224 1,226 7,227 12,228 1,229 5,230 3,231 1,232 3,233 13,235 3,237 4,238 14,239 2274,240 22.59,241 22.59,242 22.59,243 22.59,244 22.59,245 19.945,246 32.012,247 12.985,248 22.878,249 18.782,250 18.782,251 18.782,252 18.782,253 18.782,254 14.597,255 43.013,256 6.228,257 19.248,258 4.566,259 2.438,260 1.603,261 0.99,262 0.948,263 0.948,264 4.274,266 983,267 4.743,268 186.101,269 219.041,270 157.452,271 1.848,272 30.769,273 1,274 0.83,275 1,276 0.5,277 1,278 0.88,279 75,280 463,281 4.592,282 6.276}
{0 CHEMBL2207428,1 40.3,2 1.213,3 0.55,4 0.224,5 0.987,6 0.699,7 0.654,8 0.617,9 4.089,10 13.075,11 7.093,12 7.469,13 7.695,14 7.952,15 1.936,16 1.911,17 2.041,18 2.046,19 2.039,20 1.923,21 2.016,22 0.078,23 117.262,24 -0.023,25 0.7,26 48.5,27 22,28 1.039,29 8.959,30 17,31 19,32 1.455,33 5.876,34 6.372,35 2.021,36 2.022,37 3.755,38 8.317,40 0.254,41 0.03,43 1.893,44 4,45 1.406,47 4,48 70.818,49 1.951,50 0.141,51 256.699,52 1.488,53 14.8,54 4.882,55 23.833,56 155.664,57 7.01,58 0.467,59 4.439,60 4.577,61 3.961,62 3.962,63 5.466,64 3.934,65 5.013,66 5.204,67 4.388,68 4.415,69 6,70 4.366,71 5.302,72 5.511,73 4.411,74 4.571,75 6.28,76 4.477,77 5.481,78 5.765,79 4.387,80 4.532,81 6.411,82 4.43,83 5.267,84 5.516,85 4.34,86 4.407,87 6.306,88 4.339,89 5.175,90 5.385,91 4.37,92 4.403,93 6.318,94 4.355,95 5.231,96 5.436,97 4.346,98 4.481,99 6.325,100 4.404,101 5.349,102 5.593,103 4.261,104 4.508,105 6.388,106 4.392,107 0.086,108 1.202,109 17.242,110 6.782,111 11.822,112 9.637,113 0.373,114 1.985,115 32.486,116 11.83,117 35.914,118 17.334,119 0.394,120 2.475,121 44.312,122 15.681,123 49.66,124 23.017,125 0.733,126 2.621,127 57.522,128 16.68,129 87.998,130 25.956,131 0.643,132 2.218,133 45.39,134 13.214,135 71.799,136 20.114,137 0.557,138 2.081,139 40.405,140 12.512,141 78.413,142 18.174,143 0.464,144 2.215,145 42.125,146 14.306,147 77.267,148 20.398,149 0.839,150 2.37,151 49.132,152 15.643,153 23.122,154 38,155 68,156 0.227,157 0.567,158 0.739,159 0.827,160 0.84,161 0.84,162 3.718,163 0.932,164 -4.73,165 -4.65,166 -4.37,167 4,168 2,169 2,171 4,177 9,178 2,179 2,181 1,184 2,185 1,186 1,187 1,189 1,191 14,192 1,193 7,194 3,195 1,196 6,197 14,199 11,200 3,201 1,202 5,203 9,204 1,205 12,206 2,208 8,209 3,210 1,211 7,212 2,213 1,214 9,215 6,217 11,218 3,220 7,221 13,223 8,224 1,225 1,226 8,227 13,228 2,229 5,230 3,232 4,233 14,235 3,237 6,238 16,239 3222,240 26.504,241 26.504,242 26.504,243 26.504,244 26.504,245 23.884,246 38.953,247 15.02,248 26.882,249 22.207,250 22.207,251 22.207,252 22.207,253 22.207,254 18.04,255 50.52,256 7.139,257 22.809,258 4.779,259 2.544,260 1.42,261 0.841,262 0.754,263 0.754,264 4.424,266 1314,267 4.69,268 431.247,269 250.07,270 177.931,271 2.23,272 34.976,273 0.75,274 0.5,275 0.83,276 0.5,277 0.83,278 0.73,279 85.5,280 592,281 4.601,282 5.116}
{0 CHEMBL2207429,1 42.1,2 1.329,3 0.683,4 0.26,5 0.971,6 0.692,7 0.666,8 0.631,9 4.858,10 13.521,11 7.087,12 7.44,13 7.641,14 7.883,15 1.936,16 1.911,17 2.041,18 2.046,19 2.039,20 1.923,21 2.016,22 0.018,23 129.387,24 -0.083,25 0.7,26 54.5,27 28,28 1.167,29 10.644,30 22,31 24,32 1.561,33 5.925,34 6.437,35 2.022,36 2.023,37 4.044,38 10.047,40 0.218,41 0.007,43 1.893,44 3,45 0.716,46 0.17,47 3,48 52.807,49 1.9,50 0.163,51 295.251,52 1.496,53 16.098,54 6.084,55 37.016,56 159.412,57 7.233,58 0.6,59 4.415,60 4.548,61 3.958,62 3.95,63 5.515,64 3.925,65 4.939,66 5.126,67 4.342,68 4.346,69 6.003,70 4.303,71 5.185,72 5.383,73 4.389,74 4.487,75 6.26,76 4.415,77 5.362,78 5.62,79 4.361,80 4.482,81 6.372,82 4.394,83 5.242,84 5.481,85 4.353,86 4.414,87 6.313,88 4.349,89 5.198,90 5.417,91 4.384,92 4.429,93 6.336,94 4.376,95 5.257,96 5.466,97 4.378,98 4.505,99 6.382,100 4.426,101 5.349,102 5.59,103 4.281,104 4.5,105 6.451,106 4.392,107 0.07,108 1.162,109 15.942,110 6.544,111 11.403,112 9.028,113 0.342,114 1.843,115 29.237,116 10.848,117 32.873,118 15.567,119 0.38,120 2.265,121 38.196,122 13.464,123 48.967,124 19.246,125 0.635,126 2.456,127 49.911,128 15.317,129 84.918,130 22.707,131 0.594,132 2.244,133 43.311,134 13.234,135 68.385,136 19.451,137 0.531,138 2.176,139 40.571,140 12.824,141 72.281,142 18.43,143 0.413,144 2.269,145 42.478,146 15.166,147 75.744,148 21.046,149 0.866,150 2.393,151 48.956,152 15.671,153 22.422,154 51,155 65,156 0.227,157 0.571,158 0.749,159 0.831,160 0.84,161 0.84,162 3.741,163 0.907,164 -4.71,165 -4.63,166 -4.35,167 4,168 1,169 1,170 1,171 1,177 12,178 2,179 2,180 1,181 2,184 2,185 1,186 1,187 1,189 1,191 14,192 1,193 9,194 3,195 1,196 4,197 15,199 11,200 3,201 1,202 4,203 10,204 2,205 12,206 1,208 8,209 4,210 1,211 7,212 2,213 1,214 8,215 5,216 1,217 13,218 2,220 6,221 11,223 10,224 2,226 8,227 12,228 2,229 7,230 3,232 3,233 13,235 4,237 5,238 17,239 3670,240 27.073,241 27.073,242 27.073,243 27.073,244 27.073,245 23.702,246 32.853,247 15.738,248 27.467,249 22.222,250 22.222,251 22.222,252 22.222,253 22.222,254 17.004,255 39.531,256 7.543,257 22.845,258 4.752,259 2.491,260 1.323,261 0.784,262 0.721,263 0.721,264 4.439,266 1425,267 4.899,268 222.596,269 416.58,270 190.214,271 2.588,272 34.839,273 0.75,274 0.67,275 0.83,276 0.5,277 0.83,278 0.75,279 87.5,280 660,281 4.596,282 6.257}
{0 CHEMBL2207430,1 39.2,2 1.217,3 0.579,4 0.235,5 1.029,6 0.651,7 0.646,8 0.61,9 4.065,10 12.35,11 7.01,12 7.373,13 7.55,14 7.757,15 1.936,16 1.911,17 2.041,18 2.046,19 2.039,20 1.923,21 2.016,22 0.008,23 126.535,24 -0.034,25 0.9,26 46.25,27 22,28 1.056,29 8.945,30 17,31 19,32 1.491,33 5.795,34 6.31,35 2.021,36 2.022,37 3.755,38 10.21,40 0.242,41 0.009,43 1.893,44 4,45 1.449,47 4,48 70.818,49 1.861,50 0.177,51 262.733,52 1.517,53 15.921,54 5.262,55 27.692,56 148.54,57 6.983,58 0.512,59 4.381,60 4.517,61 3.884,62 3.876,63 5.453,64 3.85,65 4.921,66 5.111,67 4.252,68 4.262,69 5.972,70 4.215,71 5.158,72 5.37,73 4.288,74 4.389,75 6.201,76 4.314,77 5.29,78 5.553,79 4.281,80 4.387,81 6.286,82 4.302,83 5.176,84 5.417,85 4.261,86 4.318,87 6.241,88 4.252,89 5.122,90 5.339,91 4.288,92 4.317,93 6.277,94 4.268,95 5.199,96 5.423,97 4.261,98 4.393,99 6.285,100 4.311,101 5.268,102 5.507,103 4.195,104 4.391,105 6.38,106 4.289,107 0.073,108 1.103,109 16.5,110 6.512,111 11.526,112 9.141,113 0.379,114 1.715,115 30.283,116 10.82,117 39.951,118 15.627,119 0.471,120 2.071,121 39.394,122 12.859,123 56.422,124 18.958,125 0.641,126 2.195,127 46.924,128 13.405,129 75.184,130 21.014,131 0.574,132 2.003,133 41.335,134 12.104,135 66.847,136 18.485,137 0.583,138 1.941,139 38.702,140 11.456,141 78.349,142 17.149,143 0.471,144 2.053,145 41.561,146 13.57,147 73.231,148 19.855,149 0.852,150 2.088,151 45.913,152 14.191,153 20.773,154 60,155 58,156 0.234,157 0.572,158 0.745,159 0.829,160 0.835,161 0.835,162 3.668,163 0.943,164 -4.35,165 -4.29,166 -4.04,167 5,168 1,169 1,171 3,177 9,178 2,179 2,181 1,184 2,185 1,186 1,187 1,189 1,191 12,193 7,194 4,195 1,196 5,197 13,199 9,200 2,201 2,202 5,203 9,204 1,205 10,206 2,208 9,209 4,210 1,211 5,212 2,213 1,214 9,215 5,216 1,217 9,218 1,219 1,220 9,221 11,223 9,224 2,226 7,227 11,228 1,229 7,230 3,231 1,232 2,233 11,235 4,237 5,238 15,239 3034,240 25.134,241 25.134,242 25.134,243 25.134,244 25.134,245 22.489,246 34.744,247 14.964,248 25.645,249 20.247,250 20.247,251 20.247,252 20.247,253 20.247,254 16.052,255 43.207,256 7.157,257 20.96,258 4.693,259 2.501,260 1.376,261 0.832,262 0.795,263 0.795,264 4.356,266 1277,267 4.95,268 207.38,269 244.426,270 177.11,271 2.614,272 35.005,273 0.75,274 0.5,275 0.67,276 0.5,277 0.83,278 0.74,279 82,280 605,281 4.591,282 6.548}
{0 CHEMBL2207432,1 40,2 1.348,3 0.697,4 0.265,5 0.974,6 0.576,7 0.659,8 0.631,9 3.888,10 11.742,11 6.763,12 7.039,13 7.395,14 7.546,15 1.925,16 1.894,17 2.041,18 2.033,19 2.034,20 1.838,21 1.992,22 0.097,23 87.225,24 0.075,25 0.8,26 44.5,27 23,28 1.076,29 8.74,30 17,31 18,32 1.495,33 5.656,34 6.107,35 1.974,36 1.96,37 3.7,38 9.856,40 0.212,41 -0.004,43 1.81,44 3,45 0.862,46 0.33,47 3,48 52.685,49 1.877,50 0.183,51 264.002,52 1.572,53 13.909,54 4.966,55 24.66,56 125.081,57 7.426,58 0.611,59 4.194,60 4.328,61 3.758,62 3.686,63 5.334,64 3.678,65 4.7,66 4.884,67 4.133,68 4.061,69 5.805,70 4.04,71 4.892,72 5.08,73 4.135,74 4.178,75 6.001,76 4.125,77 5.066,78 5.333,79 4.106,80 4.181,81 6.077,82 4.097,83 4.935,84 5.181,85 4.063,86 4.067,87 6.033,88 4.018,89 4.786,90 5.001,91 4.012,92 4.046,93 5.845,94 3.998,95 4.907,96 5.115,97 4.094,98 4.114,99 6.087,100 4.058,101 5.019,102 5.265,103 3.893,104 4.099,105 6.098,106 3.999,107 0.092,108 0.942,109 12.405,110 4.968,111 10.372,112 6.764,113 0.33,114 1.437,115 22.871,116 8.083,117 31.9,118 11.48,119 0.376,120 1.699,121 27.743,122 9.212,123 38.61,124 13.23,125 0.548,126 1.811,127 36.939,128 10.93,129 58.929,130 16.97,131 0.591,132 1.626,133 31.975,134 8.574,135 59.674,136 13.19,137 0.339,138 1.479,139 25.853,140 8.093,141 32.672,142 11.954,143 0.419,144 1.591,145 29.491,146 9.816,147 55.119,148 13.987,149 0.659,150 1.626,151 35.64,152 10.316,153 14.996,154 41,155 52,156 0.252,157 0.604,158 0.748,159 0.807,160 0.812,161 0.812,162 3.532,163 0.878,164 -4.16,165 -4.1,166 -3.88,167 4,169 1,170 1,177 8,178 1,179 2,180 1,181 3,185 2,187 1,189 1,190 1,191 9,193 8,194 3,195 2,196 3,197 10,198 2,199 12,200 2,203 8,204 1,205 9,206 3,207 1,208 6,209 3,210 2,211 2,212 3,214 7,215 4,216 1,217 6,218 1,220 6,221 10,222 2,223 8,224 3,226 7,227 8,228 1,229 2,230 1,232 5,233 7,234 1,235 6,237 6,238 9,239 2026,240 21.753,241 21.753,242 21.753,243 21.753,244 21.753,245 19.075,246 28.805,247 12.529,248 22.256,249 17.721,250 17.721,251 17.721,252 17.721,253 17.721,254 13.569,255 36.972,256 5.931,257 18.44,258 4.335,259 2.144,260 1.247,261 0.88,262 0.847,263 0.847,264 4.22,265 1,266 984,267 4.062,268 206.613,269 232.867,271 1.989,272 25.89,273 1,274 0.83,275 1,276 0.5,277 1,278 0.88,279 71.5,280 459,281 4.582,282 6.217}
{0 CHEMBL2207433,1 40,2 1.348,3 0.697,4 0.265,5 0.974,6 0.576,7 0.659,8 0.631,9 3.888,10 11.742,11 6.763,12 7.039,13 7.395,14 7.546,15 1.925,16 1.894,17 2.041,18 2.033,19 2.034,20 1.846,21 1.992,22 0.024,23 96.387,24 0.053,25 0.8,26 44.5,27 23,28 1.076,29 8.739,30 17,31 18,32 1.495,33 5.656,34 6.107,35 1.974,36 1.962,37 3.7,38 9.837,40 0.212,41 -0.004,43 1.819,44 3,45 0.862,46 0.17,47 3,48 52.685,49 1.877,50 0.183,51 264.002,52 1.572,53 13.909,54 5.077,55 25.771,56 125.766,57 7.426,58 0.611,59 4.194,60 4.328,61 3.758,62 3.686,63 5.334,64 3.678,65 4.7,66 4.885,67 4.134,68 4.064,69 5.81,70 4.041,71 4.888,72 5.076,73 4.131,74 4.182,75 5.984,76 4.128,77 5.075,78 5.343,79 4.106,80 4.183,81 6.089,82 4.101,83 4.927,84 5.167,85 4.067,86 4.069,87 6.028,88 4.019,89 4.801,90 5.023,91 4.011,92 4.05,93 5.852,94 3.998,95 4.905,96 5.113,97 4.09,98 4.115,99 6.07,100 4.06,101 5.023,102 5.267,103 3.9,104 4.099,105 6.128,106 3.999,107 0.092,108 0.942,109 12.405,110 4.968,111 10.372,112 6.764,113 0.379,114 1.436,115 22.926,116 8.125,117 33.725,118 11.55,119 0.283,120 1.701,121 27.419,122 9.219,123 34.232,124 13.297,125 0.596,126 1.819,127 37.524,128 10.835,129 62.882,130 16.823,131 0.556,132 1.623,133 31.405,134 8.666,135 56.433,136 13.233,137 0.373,138 1.485,139 26.533,140 8.325,141 34.845,142 12.282,143 0.346,144 1.588,145 29.344,146 9.785,147 49.082,148 13.948,149 0.748,150 1.628,151 35.883,152 10.326,153 14.93,154 41,155 52,156 0.252,157 0.609,158 0.748,159 0.807,160 0.812,161 0.812,162 3.532,163 0.878,164 -4.97,165 -4.87,166 -4.57,167 4,169 1,170 1,177 8,178 2,179 1,180 1,181 2,182 1,185 2,187 1,189 1,190 1,191 10,192 1,193 10,194 3,195 2,196 3,197 12,199 11,200 2,202 1,203 8,204 2,205 11,206 2,207 1,208 7,209 3,210 2,211 2,212 3,214 7,215 4,216 1,217 7,218 2,220 7,221 10,222 1,223 8,224 2,226 7,227 8,228 2,229 3,230 2,232 5,233 8,235 6,237 6,238 9,239 2026,240 21.753,241 21.753,242 21.753,243 21.753,244 21.753,245 19.075,246 28.805,247 12.529,248 22.262,249 17.721,250 17.721,251 17.721,252 17.721,253 17.721,254 13.569,255 36.972,256 5.931,257 18.454,258 4.335,259 2.111,260 1.247,261 0.88,262 0.847,263 0.847,264 4.22,265 1,266 984,267 4.062,268 206.613,269 232.867,271 1.989,272 25.642,273 1,274 0.83,275 1,276 0.5,277 1,278 0.88,279 71.5,280 459,281 4.582,282 6.281}
{0 CHEMBL2207435,1 40.4,2 1.305,3 0.656,4 0.258,5 0.927,6 0.576,7 0.663,8 0.637,9 3.472,10 11.237,11 6.617,12 6.884,13 7.225,14 7.348,15 1.925,16 1.894,17 2.041,18 2.033,19 2.034,20 1.824,21 1.992,22 0.064,23 95.35,24 0.044,25 0.8,26 41.75,27 21,28 1.057,29 8.244,30 12,31 18,32 1.447,33 5.576,34 6,35 1.967,36 1.954,37 3.7,38 8.23,40 0.217,41 0.025,43 1.794,44 4,45 1.601,47 4,48 70.695,49 1.873,50 0.178,51 254.234,52 1.591,53 13.188,54 3.788,55 14.351,56 123.759,57 7.571,58 0.457,59 4.147,60 4.284,61 3.723,62 3.651,63 5.303,64 3.644,65 4.649,66 4.828,67 4.114,68 4.043,69 5.807,70 4.019,71 4.879,72 5.07,73 4.096,74 4.158,75 6.009,76 4.1,77 5.037,78 5.307,79 4.066,80 4.132,81 6.075,82 4.051,83 4.876,84 5.121,85 4.039,86 4.008,87 5.98,88 3.968,89 4.743,90 4.952,91 3.991,92 4.003,93 5.879,94 3.964,95 4.87,96 5.078,97 4.049,98 4.065,99 6.098,100 4.013,101 4.952,102 5.196,103 3.84,104 4.03,105 6.069,106 3.931,107 0.108,108 0.913,109 11.417,110 4.595,111 9.96,112 6.229,113 0.319,114 1.404,115 20.743,116 7.785,117 32.539,118 11.048,119 0.32,120 1.662,121 26.892,122 9.232,123 42.12,124 13.046,125 0.604,126 1.742,127 36.208,128 10.494,129 68.267,130 16.184,131 0.57,132 1.549,133 29.808,134 7.983,135 53.404,136 12.215,137 0.398,138 1.423,139 24.353,140 7.539,141 40.168,142 10.854,143 0.39,144 1.517,145 28.194,146 9.376,147 60.297,148 13.146,149 0.724,150 1.511,151 33.33,152 9.804,153 13.958,154 38,155 51,156 0.258,157 0.631,158 0.763,159 0.814,160 0.814,161 0.814,162 3.502,163 0.873,164 -4.76,165 -4.67,166 -4.39,167 4,169 1,173 2,174 1,175 1,177 6,178 1,179 1,181 1,182 1,184 1,185 1,186 1,187 1,189 1,190 1,191 10,193 7,194 5,195 1,196 6,197 12,199 10,200 1,201 1,202 2,203 8,204 2,205 10,206 2,207 1,208 8,209 3,210 1,211 3,212 3,213 1,214 6,215 4,216 1,217 8,218 1,219 1,220 6,221 10,222 2,223 7,224 1,226 8,227 8,229 6,230 3,231 1,232 2,233 8,235 8,237 4,238 9,239 1856,240 20.883,241 20.883,242 20.883,243 20.883,244 20.883,245 18.384,246 30.431,247 12.031,248 21.179,249 17.293,250 17.293,251 17.293,252 17.293,253 17.293,254 13.33,255 38.013,256 5.792,257 17.751,258 4.242,259 1.94,260 1.128,261 0.808,262 0.808,263 0.808,264 4.19,265 1,266 908,267 3.937,268 198.233,269 224.33,271 1.875,272 28.098,273 1,274 0.83,275 1,277 1,278 0.8,279 69.5,280 422,281 4.582,282 5.328}
{0 CHEMBL2207436,1 39.3,2 1.367,3 0.719,4 0.267,5 0.921,6 0.576,7 0.662,8 0.64,9 3.859,10 11.624,11 6.721,12 7.012,13 7.357,14 7.488,15 1.925,16 1.894,17 2.041,18 2.033,19 2.034,20 1.794,21 1.992,22 0.069,23 96.95,24 0.07,25 0.8,26 43.75,27 23,28 1.086,29 8.528,30 16,31 17,32 1.497,33 5.64,34 6.092,35 1.965,36 1.946,37 3.7,38 8.213,40 0.208,41 0.024,43 1.758,44 4,45 1.632,47 4,48 95.368,49 1.873,50 0.179,51 255.368,52 1.626,53 13.188,54 5.064,55 25.645,56 121.798,57 7.724,58 0.629,59 4.14,60 4.275,61 3.73,62 3.623,63 5.334,64 3.626,65 4.624,66 4.803,67 4.118,68 4.006,69 5.806,70 3.993,71 4.849,72 5.041,73 4.103,74 4.111,75 6.006,76 4.066,77 5.009,78 5.282,79 4.067,80 4.091,81 6.063,82 4.022,83 4.833,84 5.07,85 4.037,86 3.98,87 5.964,88 3.948,89 4.711,90 4.913,91 3.991,92 3.98,93 5.856,94 3.948,95 4.866,96 5.074,97 4.056,98 4.055,99 6.106,100 4.006,101 4.952,102 5.2,103 3.841,104 4.02,105 6.067,106 3.923,107 0.157,108 0.912,109 11.041,110 4.447,111 13.906,112 5.908,113 0.333,114 1.386,115 19.768,116 7.282,117 33.725,118 10.42,119 0.423,120 1.622,121 25.517,122 8.356,123 43.888,124 11.997,125 0.678,126 1.674,127 35.312,128 9.661,129 68.101,130 15.218,131 0.598,132 1.477,133 27.943,134 7.59,135 53.262,136 11.506,137 0.413,138 1.383,139 22.888,140 7.168,141 38.099,142 10.247,143 0.498,144 1.497,145 27.7,146 9.206,147 63.335,148 12.917,149 0.766,150 1.482,151 33.272,152 9.607,153 13.865,154 38,155 51,156 0.264,157 0.635,158 0.747,159 0.811,160 0.811,161 0.811,162 3.502,163 0.86,164 -5.03,165 -4.93,166 -4.62,167 4,169 1,177 8,178 1,179 1,181 2,182 2,184 1,185 1,187 1,189 2,190 1,191 9,193 8,194 5,195 1,196 4,197 10,199 11,200 3,201 1,202 2,203 8,204 3,205 10,206 3,208 6,209 3,210 2,211 3,212 3,213 1,214 6,215 4,216 1,217 6,218 1,219 1,220 6,221 10,222 2,223 7,224 3,226 8,227 8,228 1,229 5,230 2,231 1,232 2,233 7,234 1,235 8,237 4,238 9,239 1856,240 20.883,241 20.883,242 20.883,243 20.883,244 20.883,245 18.153,246 26.649,247 12.031,248 21.276,249 17.293,250 17.293,251 17.293,252 17.293,253 17.293,254 13.146,255 33.484,256 5.792,257 17.932,258 4.181,259 1.902,260 1.215,261 0.822,262 0.822,263 0.822,264 4.19,265 1,266 908,267 3.937,268 198.233,269 224.33,271 1.875,272 28.534,273 1,274 0.83,275 1,277 1,278 0.8,279 70,280 422,281 4.582,282 5.444}
{0 CHEMBL2207437,1 40,2 1.288,3 0.636,4 0.254,5 0.972,6 0.576,7 0.659,8 0.631,9 3.486,10 11.341,11 6.659,12 6.924,13 7.253,14 7.384,15 1.925,16 1.894,17 2.041,18 2.033,19 2.034,20 1.831,21 1.992,22 0.017,23 98.535,24 -0.025,25 0.8,26 42.5,27 21,28 1.072,29 8.389,30 12,31 18,32 1.444,33 5.598,34 6.029,35 1.976,36 1.963,37 3.7,38 9.917,40 0.218,41 -0.002,43 1.802,44 3,45 0.862,46 0.17,47 3,48 52.685,49 1.842,50 0.205,51 247.744,52 1.572,53 13.273,54 3.717,55 13.814,56 127.346,57 7.426,58 0.444,59 4.192,60 4.329,61 3.754,62 3.69,63 5.33,64 3.679,65 4.705,66 4.895,67 4.149,68 4.084,69 5.826,70 4.059,71 4.924,72 5.111,73 4.155,74 4.217,75 6.062,76 4.16,77 5.112,78 5.379,79 4.111,80 4.203,81 6.147,82 4.117,83 4.929,84 5.168,85 4.085,86 4.073,87 6.038,88 4.028,89 4.823,90 5.041,91 4.038,92 4.072,93 5.929,94 4.023,95 4.948,96 5.167,97 4.08,98 4.123,99 6.121,100 4.061,101 5.015,102 5.264,103 3.872,104 4.077,105 6.114,106 3.974,107 0.092,108 0.953,109 12.342,110 4.91,111 9.799,112 6.78,113 0.348,114 1.471,115 22.807,116 8.098,117 30.717,118 11.733,119 0.285,120 1.748,121 28.443,122 9.773,123 40.035,124 13.959,125 0.639,126 1.846,127 39.257,128 11.496,129 77.057,130 17.588,131 0.557,132 1.634,133 31.411,134 8.582,135 56.872,136 13.145,137 0.392,138 1.534,139 26.968,140 8.227,141 42.153,142 12.2,143 0.386,144 1.631,145 31.137,146 10.026,147 56.392,148 14.493,149 0.758,150 1.594,151 35.918,152 10.263,153 14.881,154 51,155 53,156 0.252,157 0.621,158 0.766,159 0.807,160 0.812,161 0.812,162 3.532,163 0.882,164 -4.56,165 -4.49,166 -4.22,167 4,169 1,170 1,173 2,174 1,175 1,177 6,178 1,179 1,181 2,185 2,186 1,187 1,189 1,190 1,191 10,192 1,193 10,194 3,195 2,196 3,197 12,199 11,200 2,202 1,203 8,204 2,205 11,206 2,207 1,208 7,209 3,210 2,211 2,212 3,214 7,215 4,216 1,217 7,218 2,220 7,221 10,222 1,223 8,224 2,226 7,227 8,228 2,229 3,230 2,232 5,233 8,235 6,237 6,238 9,239 1984,240 21.383,241 21.383,242 21.383,243 21.383,244 21.383,245 18.961,246 31.047,247 12.201,248 21.729,249 17.761,250 17.761,251 17.761,252 17.761,253 17.761,254 13.829,255 38.752,256 5.85,257 18.293,258 4.335,259 2.036,260 1.138,261 0.88,262 0.847,263 0.847,264 4.218,265 1,266 939,267 4,268 204.796,269 231.981,271 1.901,272 29.05,273 1,274 0.83,275 1,276 0.5,277 1,278 0.88,279 71.5,280 438,281 4.582,282 5.602}
{0 CHEMBL2207438,1 41.3,2 1.329,3 0.671,4 0.257,5 0.947,6 0.578,7 0.663,8 0.636,9 4.05,10 12.446,11 6.902,12 7.218,13 7.575,14 7.738,15 1.925,16 1.902,17 2.041,18 2.034,19 2.034,20 1.916,21 2.001,22 0.018,23 87.9,24 0.074,25 0.8,26 46.5,27 23.5,28 1.065,29 8.993,30 18,31 19,32 1.482,33 5.738,34 6.206,35 2.032,36 2.021,37 3.7,38 8.286,39 176.006,40 0.222,41 0.012,42 1,43 1.894,44 3,45 0.82,46 0.17,47 3,48 52.685,49 1.953,50 0.142,51 251.619,52 1.579,53 14.057,54 5.768,55 33.266,56 133.413,57 7.502,58 0.564,59 4.257,60 4.38,61 3.835,62 3.759,63 5.366,64 3.755,65 4.785,66 4.953,67 4.228,68 4.153,69 5.877,70 4.138,71 5.004,72 5.186,73 4.232,74 4.274,75 6.083,76 4.224,77 5.124,78 5.379,79 4.181,80 4.263,81 6.128,82 4.184,83 5.001,84 5.238,85 4.145,86 4.157,87 6.063,88 4.103,89 4.877,90 5.085,91 4.105,92 4.117,93 5.95,94 4.076,95 4.973,96 5.18,97 4.154,98 4.176,99 6.124,100 4.121,101 5.067,102 5.312,103 3.946,104 4.14,105 6.127,106 4.044,107 0.101,108 0.969,109 12.939,110 5.491,111 9.972,112 7.147,113 0.353,114 1.517,115 24.487,116 9.226,117 32.954,118 12.406,119 0.504,120 1.819,121 31.347,122 10.821,123 43.822,124 14.746,125 0.584,126 1.94,127 38.788,128 12.022,129 61.913,130 17.955,131 0.598,132 1.753,133 33.648,134 9.919,135 53.039,136 14.721,137 0.471,138 1.594,139 28.44,140 8.865,141 41.097,142 12.642,143 0.443,144 1.702,145 31.382,146 10.562,147 55.177,148 14.844,149 0.721,150 1.734,151 37.44,152 10.902,153 15.576,154 27,155 57,156 0.251,157 0.594,158 0.73,159 0.802,160 0.807,161 0.812,162 3.588,163 0.882,164 -4.97,165 -4.88,166 -4.57,167 4,169 1,171 2,177 9,178 2,179 3,181 1,182 1,184 1,185 1,187 1,189 1,190 1,191 11,193 8,194 4,195 1,196 4,197 13,198 1,199 13,200 1,201 1,202 2,203 10,204 2,205 12,206 2,208 7,209 3,210 1,211 4,212 3,213 1,214 7,215 4,216 2,217 8,218 1,220 6,221 10,222 2,223 8,224 2,226 9,227 8,229 6,230 2,232 2,233 8,234 1,235 9,236 1,237 4,238 10,239 2292,240 23.245,241 23.245,242 23.245,243 23.245,244 23.245,245 20.566,246 32.487,247 13.441,248 23.781,249 19.298,250 19.298,251 19.298,252 19.298,253 19.298,254 15.093,255 41.906,256 6.463,257 20.165,258 4.398,259 2.231,260 1.374,261 0.921,262 0.89,263 0.858,264 4.291,266 1083,267 4,268 207.204,269 323.842,271 2.002,272 29.103,273 1,274 0.67,275 1,276 0.5,277 1,278 0.85,279 76,280 492,281 4.582,282 6.484}
{0 CHEMBL2207439,1 41.7,2 1.39,3 0.721,4 0.268,5 0.924,6 0.535,7 0.673,8 0.644,9 4.845,10 13.135,11 7.136,12 7.52,13 7.791,14 8.067,15 1.926,16 1.894,17 2.041,18 2.07,19 2.052,20 1.924,21 2.003,22 0.036,23 85.724,24 0.093,25 0.6,26 47.25,27 24.5,28 1.09,29 9.115,30 19,31 20,32 1.584,33 5.869,34 6.323,35 2.033,36 2.034,37 3.907,38 8.298,40 0.21,41 0.005,43 1.888,44 3,45 0.84,46 0.17,47 3,48 52.685,49 1.952,50 0.146,51 269.401,52 1.535,53 13.382,54 5.284,55 27.924,56 130.924,57 7.576,58 0.684,59 4.208,60 4.345,61 3.798,62 3.725,63 5.337,64 3.717,65 4.715,66 4.896,67 4.195,68 4.128,69 5.82,70 4.105,71 4.926,72 5.121,73 4.159,74 4.24,75 5.996,76 4.177,77 5.089,78 5.356,79 4.136,80 4.227,81 6.092,82 4.141,83 4.938,84 5.183,85 4.096,86 4.091,87 6.008,88 4.042,89 4.801,90 5.01,91 4.066,92 4.085,93 5.891,94 4.044,95 4.939,96 5.158,97 4.107,98 4.143,99 6.096,100 4.083,101 4.994,102 5.241,103 3.887,104 4.077,105 6.074,106 3.979,107 0.085,108 0.986,109 11.984,110 4.785,111 10.011,112 6.532,113 0.293,114 1.543,115 21.967,116 8.076,117 28.27,118 11.477,119 0.267,120 1.802,121 27.809,122 9.69,123 33.581,124 13.737,125 0.534,126 1.903,127 37.519,128 11.494,129 60.677,130 17.417,131 0.529,132 1.679,133 31.523,134 8.961,135 49.508,136 13.363,137 0.339,138 1.56,139 25.462,140 8.045,141 35.286,142 11.458,143 0.315,144 1.684,145 30.079,146 10.017,147 52.91,148 14.171,149 0.673,150 1.619,151 34.657,152 10.306,153 14.418,154 27,155 56,156 0.244,157 0.62,158 0.754,159 0.818,160 0.818,161 0.818,162 3.56,163 0.869,164 -5.51,165 -5.39,166 -5.03,167 4,169 1,177 8,178 2,179 1,180 1,181 1,182 1,183 2,184 1,185 1,187 1,188 1,189 1,190 1,191 10,192 1,193 9,194 4,195 1,196 4,197 12,199 11,200 1,201 1,202 1,203 8,204 2,205 11,206 3,208 7,209 3,210 2,211 3,212 2,213 1,214 6,215 4,216 1,217 8,218 2,220 6,221 10,222 2,223 7,224 1,226 8,227 8,228 1,229 6,230 3,232 2,233 8,235 8,237 4,238 9,239 2112,240 22.538,241 22.538,242 22.538,243 22.538,244 22.538,245 19.446,246 24.492,247 12.941,248 22.974,249 18.798,250 18.798,251 18.798,252 18.798,253 18.798,254 14.053,255 32.321,256 6.216,257 19.515,258 4.372,259 2.01,260 1.167,261 0.767,262 0.767,263 0.767,264 4.262,266 1006,267 4,268 294.78,269 211.629,270 157.688,271 1.948,272 23.18,273 0.75,274 0.67,275 1,277 1,278 0.72,279 73,280 455,281 4.582,282 6.627}
{0 CHEMBL2207440,1 43.5,2 1.4,3 0.757,4 0.27,5 0.901,6 0.578,7 0.679,8 0.647,9 5.138,10 13.534,11 7.176,12 7.57,13 7.992,14 8.136,15 2.041,16 2.019,17 2.116,18 2.122,19 2.122,20 1.925,21 2.041,22 0.012,23 84.939,24 0.088,25 0.6,26 49,27 26.5,28 1.109,29 9.46,30 21,31 22,32 1.612,33 5.883,34 6.401,35 2.033,36 2.034,37 3.954,38 8.305,39 176.006,40 0.209,41 0.027,42 1,43 1.894,44 3,45 0.792,46 0.17,47 3,48 52.685,49 1.953,50 0.14,51 281.45,52 1.496,53 14.057,54 6.168,55 38.047,56 136.377,57 7.51,58 0.692,59 4.229,60 4.362,61 3.811,62 3.783,63 5.356,64 3.764,65 4.732,66 4.907,67 4.202,68 4.181,69 5.833,70 4.147,71 4.964,72 5.156,73 4.204,74 4.304,75 6.034,76 4.236,77 5.121,78 5.386,79 4.166,80 4.282,81 6.122,82 4.192,83 4.974,84 5.214,85 4.128,86 4.162,87 6.04,88 4.103,89 4.844,90 5.056,91 4.085,92 4.129,93 5.919,94 4.08,95 4.965,96 5.182,97 4.14,98 4.184,99 6.12,100 4.123,101 5.031,102 5.276,103 3.929,104 4.134,105 6.107,106 4.036,107 0.087,108 0.98,109 12.337,110 5.189,111 10.503,112 6.965,113 0.252,114 1.542,115 22.28,116 8.777,117 28.136,118 12.254,119 0.248,120 1.875,121 28.957,122 10.53,123 35.007,124 14.684,125 0.497,126 2.012,127 38.584,128 12.337,129 61.761,130 18.322,131 0.474,132 1.777,133 32.389,134 9.931,135 50.027,136 14.405,137 0.313,138 1.63,139 26.903,140 8.65,141 36.729,142 12.217,143 0.302,144 1.757,145 30.938,146 10.562,147 54.156,148 14.734,149 0.581,150 1.741,151 35.754,152 10.937,153 15.027,154 27,155 57,156 0.236,157 0.59,158 0.731,159 0.823,160 0.823,161 0.823,162 3.588,163 0.879,164 -5.77,165 -5.64,166 -5.25,167 4,169 1,177 11,178 3,179 1,180 1,181 2,182 1,184 1,185 1,187 1,189 1,190 1,191 14,193 9,194 4,195 1,196 4,197 17,199 12,200 1,201 1,202 2,203 14,204 2,205 11,206 2,208 8,209 7,210 1,211 4,212 2,213 1,214 8,215 6,216 1,217 9,218 1,220 8,221 11,222 2,223 9,224 1,226 10,227 8,229 7,230 2,232 4,233 8,235 10,237 5,238 10,239 2292,240 23.245,241 23.245,242 23.245,243 23.245,244 23.245,245 20.024,246 24.492,247 13.441,248 23.576,249 19.298,250 19.298,251 19.298,252 19.298,253 19.298,254 14.386,255 32.321,256 6.463,257 19.833,258 4.458,259 2.219,260 1.324,261 0.743,262 0.743,263 0.743,264 4.291,266 1083,267 4,268 207.204,269 323.842,271 2.002,272 23.709,273 0.75,274 0.67,275 1,276 0.5,277 1,278 0.79,279 74.5,280 492,281 4.582,282 7.009}
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