@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL224

@attribute molecule_id 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@attribute P_VSA_LogP_6 numeric
@attribute CATS2D_03_DL numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_p_2 numeric
@attribute nPyrazoles numeric
@attribute SM15_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute LOC numeric
@attribute SpDiam_EA.dm. numeric
@attribute SaasC numeric
@attribute nIsothiazoles numeric
@attribute MATS2e numeric
@attribute Eig01_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute nCbH numeric
@attribute F.084 numeric
@attribute SM06_EA.dm. numeric
@attribute GATS5e numeric
@attribute ARR numeric
@attribute SaasN numeric
@attribute CATS2D_03_DA numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute CATS2D_02_DL numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute nO numeric
@attribute SpMin3_Bh.m. numeric
@attribute BLTF96 numeric
@attribute SM08_EA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute ATSC8m numeric
@attribute SpMax1_Bh.s. numeric
@attribute SM12_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute MATS2i numeric
@attribute N.072 numeric
@attribute nC numeric
@attribute ATSC8v numeric
@attribute SpMin8_Bh.i. numeric
@attribute ATS7p numeric
@attribute ATS1v numeric
@attribute nBnz numeric
@attribute SpMin8_Bh.e. numeric
@attribute P_VSA_i_4 numeric
@attribute Eig04_EA.ed. numeric
@attribute SM13_AEA.dm. numeric
@attribute Rperim numeric
@attribute nArX numeric
@attribute Eig02_EA.dm. numeric
@attribute P_VSA_e_3 numeric
@attribute C.041 numeric
@attribute O. numeric
@attribute GATS1p numeric
@attribute Eig02_EA.bo. numeric
@attribute SM12_AEA.ri. numeric
@attribute P_VSA_m_2 numeric
@attribute Eig03_AEA.ri. numeric
@attribute ATS2p numeric
@attribute Eig11_AEA.ri. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpAD_EA.dm. numeric
@attribute Eig11_AEA.bo. numeric
@attribute CATS2D_05_DA numeric
@attribute P_VSA_LogP_3 numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SpMax8_Bh.v. numeric
@attribute P_VSA_LogP_1 numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMax8_Bh.p. numeric
@attribute P_VSA_MR_6 numeric
@attribute nCsp2 numeric
@attribute MATS3e numeric
@attribute ATSC7i numeric
@attribute SpDiam_EA.bo. numeric
@attribute Mp numeric
@attribute SM02_EA.dm. numeric
@attribute SaaCH numeric
@attribute SpMin8_Bh.v. numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpMax_EA.bo. numeric
@attribute ATS8i numeric
@attribute ATS2v numeric
@attribute X1Kup numeric
@attribute NaaCH numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute SpDiam_EA.ed. numeric
@attribute ATS8e numeric
@attribute CATS2D_04_DA numeric
@attribute C.024 numeric
@attribute X1Mad numeric
@attribute X1Per numeric
@attribute SpMax2_Bh.e. numeric
@attribute Eig02_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 SM13_EA.dm. numeric
@attribute Psi_i_0 numeric
@attribute ATSC8i numeric
@attribute SpMin8_Bh.p. numeric
@attribute SNar numeric
@attribute Xt numeric
@attribute SpMax2_Bh.p. numeric
@attribute X1MulPer 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 Psi_i_1 numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute P_VSA_LogP_2 numeric
@attribute N.071 numeric
@attribute BLTD48 numeric
@attribute SpMax2_Bh.s. numeric
@attribute Eig02_AEA.bo. numeric
@attribute TPSA.NO. numeric
@attribute CATS2D_09_DA numeric
@attribute CIC2 numeric
@attribute SpMaxA_EA numeric
@attribute BLTA96 numeric
@attribute SpMax4_Bh.e. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute NdssC numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig06_EA.ri. numeric
@attribute SsF numeric
@attribute Eig03_EA.bo. numeric
@attribute SM13_AEA.ri. numeric
@attribute SpMin7_Bh.v. numeric
@attribute nArNR2 numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig08_EA.ri. numeric
@attribute CID numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMax3_Bh.v. numeric
@attribute IVDM numeric
@attribute Eig15_AEA.bo. numeric
@attribute CATS2D_06_AA numeric
@attribute X1 numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SpAD_EA.ri. numeric
@attribute HDcpx numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute CATS2D_02_DD numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute CATS2D_01_AA numeric
@attribute ATS6p numeric
@attribute IDM numeric
@attribute SM09_EA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute ATS6v numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute CATS2D_02_AA numeric
@attribute Eig13_EA numeric
@attribute SM07_AEA.dm. numeric
@attribute Chi0_EA.bo. numeric
@attribute Eta_betaP numeric
@attribute Eig10_EA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute MATS1i numeric
@attribute ATSC7m numeric
@attribute MATS5v numeric
@attribute ATSC8p numeric
@attribute SpMin2_Bh.v. numeric
@attribute SM15_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute GATS1v numeric
@attribute SpMax2_Bh.v. numeric
@attribute PDI numeric
@attribute SM11_EA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Ui numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute SRW02 numeric
@attribute Eig03_EA.ed. numeric
@attribute SM12_AEA.dm. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA.bo. numeric
@attribute SpMin4_Bh.i. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig10_EA numeric
@attribute SM04_AEA.dm. numeric
@attribute SaaN numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute Eig09_EA.bo. numeric
@attribute ATS8p numeric
@attribute BID numeric
@attribute SpMin7_Bh.p. numeric
@attribute Eig13_EA.ri. numeric
@attribute GATS5s numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_EA.dm. numeric
@attribute nCONN numeric
@attribute GATS5v numeric
@attribute Eig10_AEA.bo. numeric
@attribute SpMin7_Bh.i. numeric
@attribute ATS1p numeric
@attribute SpMin3_Bh.e. numeric
@attribute P_VSA_MR_8 numeric
@attribute SpMaxA_EA.ed. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig09_EA numeric
@attribute SM03_AEA.dm. numeric
@attribute SpMax3_Bh.i. numeric
@attribute GATS4s numeric
@attribute GATS1s numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SpAD_AEA.bo. numeric
@attribute AMR numeric
@attribute SpMax2_Bh.m. numeric
@attribute MWC02 numeric
@attribute ZM1 numeric
@attribute SM02_AEA.bo. numeric
@attribute nF numeric
@attribute NsF numeric
@attribute P_VSA_e_6 numeric
@attribute SpMin1_Bh.i. numeric
@attribute Eig15_AEA.ri. numeric
@attribute nCp numeric
@attribute Eig06_EA numeric
@attribute SM14_AEA.bo. numeric
@attribute nSK numeric
@attribute SpAD_AEA.ed. numeric
@attribute Sp numeric
@attribute CATS2D_02_DA numeric
@attribute Eig02_AEA.ed. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMax3_Bh.e. numeric
@attribute Psi_e_0 numeric
@attribute P_VSA_MR_1 numeric
@attribute SpMin8_Bh.m. numeric
@attribute VAR numeric
@attribute SpMin3_Bh.i. numeric
@attribute X3 numeric
@attribute Eig04_EA numeric
@attribute SM12_AEA.bo. numeric
@attribute ATS5v numeric
@attribute Hypnotic.80 numeric
@attribute ATSC7p numeric
@attribute JGI3 numeric
@attribute GATS8s numeric
@attribute GATS7v numeric
@attribute Eta_FL numeric
@attribute ATS6e numeric
@attribute NaasC numeric
@attribute GATS6v numeric
@attribute nBM numeric
@attribute Uc numeric
@attribute CATS2D_09_LL numeric
@attribute Eig03_EA.dm. numeric
@attribute SpMax3_Bh.p. numeric
@attribute Eig05_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute ATS6i numeric
@attribute S0K numeric
@attribute SM13_EA.bo. numeric
@attribute pXC50 numeric

@data
{2 1,4 54.897,7 1.159,8 1.163,9 1.72,10 6.966,12 -0.09,13 0.86,14 0.86,17 0.963,18 1.305,19 0.316,22 4.685,23 4.685,24 0.395,25 2,26 2.478,27 6.138,28 2,29 1.729,30 -3.5,31 0.787,32 4.678,33 34.902,34 5.019,35 0.504,36 0.634,37 0.079,39 13,40 5.697,41 0.286,42 3.102,43 3.135,44 1,45 0.37,46 32.897,47 5.055,48 5.055,49 12,50 1,51 0.86,52 78.851,54 6.1,55 0.845,56 3.165,57 3.165,58 81.609,59 3.412,60 3.623,61 -0.05,62 1.023,63 3.44,64 0.273,65 1,67 -1,68 -2,69 -2,70 2.128,71 8.825,72 2.409,73 1.589,74 2.138,75 23.099,76 6,77 -0.022,78 0.657,79 7.432,80 0.678,81 1.376,83 0.677,84 4.432,85 4.432,86 4.432,87 4.042,88 3.556,89 6.024,91 5.661,93 3.097,94 19.993,95 3.602,98 7.377,99 4.75,100 3.617,101 2.447,102 9.377,103 9.377,104 9.377,105 9.377,106 9.377,108 12.475,109 0.271,110 0.602,111 12.542,112 0.282,113 3.467,114 5.819,115 11.414,116 11.414,117 11.414,118 11.414,119 11.414,120 10.751,121 1.529,122 0.247,123 49.686,125 -3.67,126 4.891,127 3.821,128 44.48,130 1.16,131 0.176,132 -3.71,133 3.099,134 3.661,135 3.661,137 -0.434,138 0.92,140 3.086,141 3.086,142 1.087,144 1.93,145 0.463,146 3.58,147 1.071,148 3.414,149 4.004,150 -0.441,152 8.182,153 -2.553,154 -2.553,155 27.07,156 1.581,157 0.37,159 1.084,160 0.226,162 3.446,163 6.919,165 4.17,166 -0.496,167 3.25,168 -3.197,169 -3.197,171 -1.231,172 -1.231,173 10.581,174 7,175 -1.686,176 -1.686,177 0.072,178 28.915,179 -0.459,180 4.562,181 1.789,182 22.339,183 20.862,185 0.89,186 3.454,187 0.992,189 2.311,190 2,191 2.996,192 2.996,193 19,194 3.664,195 8.247,196 8.247,197 0.291,198 -0.7,199 1.28,200 -0.506,201 -0.639,202 -0.639,204 2.936,205 1.63,206 0.433,207 2.222,208 2.912,209 1.079,210 -0.953,211 1.133,212 3.911,215 1.427,216 0.492,217 0.512,218 3.177,219 1.458,220 45.954,221 0.631,222 2.311,223 0.399,224 0.399,225 3.628,226 0.731,227 1.066,228 -4.388,229 -4.388,230 29.274,231 70.872,232 3.959,233 4.554,234 94,235 4.425,239 1.906,240 -0.661,241 1,242 1,243 1,244 17,245 30.619,246 22.358,248 6.086,249 0.659,250 3.588,251 6.315,252 58.856,253 0.754,254 35,255 1.396,256 6.444,257 2.019,258 2.019,259 3.494,260 1,261 6.472,262 0.041,263 0.311,264 1.021,265 2.913,266 4.391,267 6,268 1.207,269 6,270 2.807,273 3.411,274 1.453,275 1.453,276 4.632,277 67.487,278 19.369,279 7.969}
{0 CHEMBL102347,2 1,4 65.897,7 1.454,8 1.406,9 1.72,10 4.642,12 -0.197,13 0.86,14 0.86,15 1,17 1.232,18 1.664,19 0.353,22 4.576,23 4.576,24 0.546,25 1,26 1.005,27 1.011,28 3,29 1.687,30 -2.24,31 1.028,32 4.105,33 9.765,34 5.024,35 0.684,36 0.845,37 0.234,39 12,40 4.192,41 0.244,42 2.925,43 3.015,44 1,45 0.36,46 32.897,47 3.287,48 3.287,49 9,51 0.86,52 32.897,54 9.1,55 1.316,56 3.119,57 3.119,58 98.008,59 3.136,60 3.379,61 0.032,62 0.824,63 5.16,64 0.33,66 9.476,67 -1.097,68 -2.283,69 -2.283,70 2.125,71 21.766,72 2.468,73 1.463,74 2.133,75 53.344,76 6,77 0.211,78 0.527,79 7.292,80 0.62,81 1.693,82 1.999,83 0.697,84 4.292,85 4.292,86 4.292,87 4.08,88 3.355,89 5.28,90 1,91 5.529,93 2.825,94 18.86,95 3.673,97 1,98 7.335,99 4.255,100 3.517,101 2.347,102 8.223,103 8.223,104 8.223,105 8.223,106 8.223,108 11.364,109 0.283,110 0.662,111 11.038,112 0.301,113 3.32,114 5.107,115 11.163,116 11.163,117 11.163,118 11.163,119 11.163,120 8.936,121 1.411,122 0.269,123 44.664,125 -2.28,126 4.95,127 3.764,128 53.71,130 1.015,131 0.19,132 -2.24,133 3.238,134 3.529,135 3.529,137 -0.5,138 0.757,140 2.742,141 2.742,142 1.02,144 1.75,145 0.241,146 3.502,147 1.044,148 3.257,149 3.918,150 -0.592,152 7.812,153 -3.198,154 -3.198,155 22.949,156 1.561,157 0.402,159 0.983,160 0.247,162 3.297,163 6.732,165 3.712,166 -0.651,167 3.112,168 -4.702,169 -4.702,171 -1.581,172 -1.581,173 10.41,174 7.5,175 -1.141,176 -1.141,177 -0.067,178 16.77,179 -0.282,180 2.325,181 1.723,182 21.855,183 20.414,185 1.106,186 3.318,187 0.934,189 1.76,190 2,191 2.89,192 2.89,193 17,194 3.555,195 6.673,196 6.673,197 0.229,198 -0.749,199 1.114,200 -0.619,201 -0.687,202 -0.687,204 2.94,205 1.5,206 -0.21,207 2.242,208 2.855,209 1.001,210 -1.397,211 1.471,212 3.734,215 1.214,216 0.487,217 0.62,218 3.022,219 1.412,221 0.667,222 2.257,223 -0.188,224 -0.188,225 3.492,226 0.672,227 1.056,228 -4.852,229 -4.852,230 24.407,231 61.985,232 3.357,233 4.394,234 80,235 4.27,239 1.897,240 -0.882,241 1,242 0.869,243 0.869,244 16,245 26.968,246 20.46,248 5.967,249 0.716,250 3.454,251 5.893,252 129.482,253 0.752,254 37,255 1.341,256 5.647,257 1.414,258 1.414,259 3.399,260 1,261 4.574,262 0.045,263 0.811,264 0.866,265 3.699,266 4.384,267 5,268 1.287,269 6,270 2.807,272 0.86,273 3.245,274 1.168,275 1.168,276 4.635,277 62,278 18.946,279 5.193}
{0 CHEMBL103479,1 31.203,2 5,3 46.635,4 79.851,6 0.035,7 1.379,8 0.54,9 2.117,10 1.751,12 0.023,13 1.058,14 1.058,15 4,16 1,17 1.406,18 0.776,19 0.552,21 1,22 4.587,23 4.587,24 1.698,25 4,26 3.113,27 9.692,28 1,29 1.916,30 -4.04,31 1.462,32 5.262,33 20.576,34 8.201,35 1.613,36 1.533,37 -0.011,38 1,39 20,40 9.622,41 0.871,42 3.733,43 3.484,44 1,45 0.919,46 69.666,47 6.675,48 6.675,49 21,50 1,51 0.8,52 54.706,54 2.1,55 1.055,56 3.763,57 3.763,58 165.101,59 3.561,60 3.914,61 1.984,62 1.016,63 3.717,64 2.041,66 65.905,67 1,68 2.275,69 2.275,70 2.715,71 8.396,72 2.854,73 1.884,74 2.735,75 98.97,76 14,77 -0.056,78 1.105,79 7.52,80 0.665,81 1.435,82 11.22,83 1.13,84 4.52,85 4.52,86 4.52,87 4.736,88 3.876,89 8.71,90 7,91 5.574,92 0.188,93 4.898,94 18.077,95 4.483,97 6,98 12.11,99 7.039,100 3.92,101 2.827,102 14.303,103 14.303,104 14.303,105 14.303,106 14.303,107 0.054,108 18.492,109 1.059,110 1.112,111 19.592,112 0.226,113 3.842,114 8.522,115 17.602,116 17.602,117 17.602,118 17.602,119 17.602,120 15.585,121 1.855,122 0.158,123 27.291,125 -4.28,126 7.429,127 4.193,128 61.02,130 0.942,131 0.109,132 -4.34,133 3.487,134 3.574,135 3.574,136 1,137 1.113,138 1.942,139 13.011,140 3.214,141 3.214,142 1.381,144 3.011,145 1.262,146 4.002,147 1.316,148 3.651,149 4.637,150 0.841,151 1,152 12.597,153 1.52,154 1.52,155 42.065,156 1.689,157 0.232,159 1.069,160 0.143,162 3.773,163 8.086,164 0.125,165 5.034,166 0.892,167 3.701,168 -0.138,169 -0.138,171 -0.057,172 -0.057,173 15.629,174 16,175 2.275,176 2.275,177 -0.123,178 19.528,179 0.128,180 6.808,181 2.007,182 22.694,183 21.213,184 0.268,185 0.942,186 3.845,187 1.016,188 0.082,189 3.414,190 3.322,191 3.401,192 3.401,193 29,194 4.078,195 7.868,196 7.868,197 2,198 1.5,199 1.385,200 1,201 1,202 1,203 4.662,204 3.315,205 1.549,206 1.547,207 3.638,208 3.304,209 1.376,210 -0.053,211 0.722,212 4.353,213 0.325,215 0.853,216 2.5,217 1.042,218 3.5,219 1.801,221 0.377,222 3.414,223 1.115,224 1.115,225 3.873,226 0.819,227 0.518,228 -0.489,229 -0.489,230 44.103,231 99.115,232 3.875,233 4.949,234 140,235 4.905,236 1,237 1,238 14.96,239 1.897,240 0.614,242 2.065,243 2.065,244 26,245 45.037,246 31.267,247 2,248 6.057,249 1.126,250 3.805,251 9.654,252 191.527,253 1.181,254 104,255 1.749,256 9.814,257 2.367,258 2.367,259 3.76,261 7.099,262 0.038,263 0.896,264 1.078,265 6.496,266 4.565,267 4,268 0.932,269 17,270 4.17,271 6,273 3.652,274 2.798,275 2.798,276 4.8,277 114.211,278 19.705,279 5.319}
{0 CHEMBL104,1 11.771,3 48.946,4 18.685,6 8.906,7 2.503,8 0.372,9 2.491,10 4.01,12 -0.006,13 1.811,14 1.811,15 14,17 3.596,18 1.08,19 0.821,20 2.124,22 4.968,23 4.968,24 8.312,26 4.925,27 24.255,29 1.934,30 -5.58,31 4.759,32 5.58,33 21.801,34 5.014,35 7.125,36 5.94,37 0.007,39 22,40 10.928,41 0.821,42 4.028,43 3.477,44 3,45 0.886,46 18.685,47 6.623,48 6.623,49 23,50 1,52 18.685,55 0.838,56 3.58,57 3.58,58 191.123,59 3.278,60 3.919,61 2,62 1.007,63 3.621,64 2.5,66 141.715,67 1.5,68 2.136,69 2.136,70 2.715,72 2.854,73 1.824,74 2.735,75 154.772,76 21,77 0.007,78 1.54,79 7.398,80 0.737,81 1.688,82 34.474,83 1.107,84 4.398,85 4.398,86 4.398,87 4.577,88 3.855,89 8.165,90 17,91 6.293,92 4.169,93 4.97,94 25.633,95 4.221,97 14,98 11.874,99 6.601,100 3.813,101 2.379,102 13.836,103 13.836,104 13.836,105 13.836,106 13.836,107 7.718,108 17.791,109 0.808,110 1.062,111 19.356,112 0.227,113 3.765,114 7.944,115 17.514,116 17.514,117 17.514,118 17.514,119 17.514,120 14.796,121 1.794,122 0.177,125 -6,126 4.888,127 3.984,128 17.82,130 2.165,131 0.136,132 -6.15,133 3.784,134 4.293,135 4.293,137 1.031,138 1.328,140 3.319,141 3.319,142 1.107,144 2.361,145 1.219,146 3.966,147 1.181,148 3.743,149 4.597,150 0.719,152 12.331,153 1.372,154 1.372,155 40.367,156 1.698,157 0.303,159 1.01,160 0.171,162 4.471,163 8.081,164 5.348,165 4.603,166 1.448,167 4.315,168 1.27,169 1.27,170 1,171 0.491,172 0.491,173 14.74,174 22,175 2.136,176 2.136,177 -0.109,178 38.508,179 -0.109,180 7.815,181 1.926,182 22.28,183 20.84,184 3.003,185 0.807,186 3.754,187 1.012,188 6.532,189 3.247,190 3.644,191 3.367,192 3.367,193 28,194 4.043,195 6.653,196 6.653,197 2,198 1.5,199 1.397,200 1,201 1,202 1,203 4.314,204 3.628,205 1.499,206 1.562,207 3.091,208 3.27,209 1.062,210 0.463,211 0.838,212 4.3,213 1.827,215 0.996,216 2.5,217 0.824,218 3.522,219 1.82,221 0.618,222 3.247,223 1.092,224 1.092,225 3.841,226 0.785,227 0.7,228 -0.611,229 -0.611,230 42.564,231 102.112,232 3.869,233 4.905,234 134,235 4.911,239 2.015,240 0.295,242 1.414,243 1.414,244 25,245 43.46,246 30.961,248 6.066,249 0.886,250 3.808,251 9.184,252 200.109,253 1.181,254 70,255 1.794,256 9.441,257 2.278,258 2.278,259 4.382,261 13.782,262 0.063,263 1.005,264 1.19,265 7.611,266 5.098,267 4,268 1.217,269 23,270 4.585,273 3.753,274 2.519,275 2.519,276 5.307,277 96.096,278 19.348,279 4.953}
{0 CHEMBL104088,2 1,4 32.897,8 0.927,10 4.188,12 -0.137,15 9,18 0.941,19 0.632,22 4.039,23 4.039,25 1,26 4.143,27 17.165,29 1.819,30 -4.91,32 3.681,33 11.459,34 5.012,37 -0.04,39 17,40 6.985,41 0.649,42 3.278,43 3.225,44 2,45 0.741,46 32.897,47 3.238,48 3.238,49 12,52 32.897,55 0.995,56 3.444,57 3.444,58 139.984,59 3.208,60 3.675,61 0.264,62 1.025,64 0.528,66 85.286,67 -0.849,68 -1.396,69 -1.396,70 2.528,72 2.739,73 1.903,74 2.542,75 94.843,76 12,77 -0.068,78 0.616,79 6.637,80 0.657,82 19.545,83 1.077,84 3.637,85 3.637,86 3.637,87 4.226,88 3.543,89 6.687,90 9,91 4.851,93 3.762,94 12.664,95 3.955,97 9,98 8.834,99 5.463,100 3.89,101 2.516,102 9.381,103 9.381,104 9.381,105 9.381,106 9.381,108 13.27,109 0.587,110 1.035,111 13,112 0.277,113 3.837,114 6.508,115 12.56,116 12.56,117 12.56,118 12.56,119 12.56,120 10.592,121 1.875,122 0.213,123 45.141,125 -5.26,126 4.759,127 3.895,128 26.02,130 1.976,131 0.14,132 -5.37,133 3.384,134 2.851,135 2.851,137 0.283,138 1,140 2.773,141 2.773,142 1.107,144 2,145 0.981,146 3.624,147 1.181,148 3.407,149 4.136,150 -0.335,152 8.881,153 -2.017,154 -2.017,155 26.422,156 1.576,157 0.289,159 1.201,160 0.193,162 3.39,163 6.974,165 3.414,167 3.183,168 -2.347,169 -2.347,171 -1,172 -1,173 11.085,174 12,175 -0.547,176 -0.547,177 0.147,178 12.107,179 -0.038,180 4.832,181 2.003,182 19.663,183 18.561,185 1.006,186 3.828,187 0.972,189 1.925,190 2.807,191 2.996,192 2.996,193 19,194 3.664,195 6.359,196 6.359,197 0.695,198 -0.328,199 1.31,200 -0.282,201 -0.287,202 -0.287,204 3.201,205 1.402,206 0.155,207 3.195,208 2.957,209 1.062,210 -1,211 0.958,212 3.846,215 0.997,216 0.934,217 0.821,218 3.308,219 1.568,221 0.389,222 2,223 0.135,224 0.135,225 3.628,226 0.735,227 1.275,228 -3,229 -3,230 26.583,231 78.225,232 3.815,233 4.443,234 84,235 4.394,239 1.938,240 -0.519,241 1,242 1,243 1,244 18,245 27.176,246 25.62,248 5.339,249 0.886,250 3.554,251 6.648,252 200.109,253 1.122,254 60,255 1.505,256 5.613,257 1.552,258 1.552,259 3.32,261 5.355,262 0.015,263 1.124,264 0.94,265 4.245,266 4.228,267 3,268 0.894,269 12,270 3.7,271 6,273 3.423,274 1.5,275 1.5,276 4.53,277 63.059,278 17.088,279 7.222}
{0 CHEMBL104308,1 5.349,2 5,3 76.254,4 148.297,6 0.264,7 5.039,8 0.522,9 5.9,10 4.931,12 0.021,13 2.95,14 2.95,15 8,17 7.186,18 0.88,19 0.5,22 4.416,23 4.416,24 15.838,25 4,26 3.956,27 15.649,28 1,29 1.944,30 -4.75,31 9.348,32 5.467,33 36.012,34 6.469,35 13.675,36 11.511,37 0.053,39 24,40 14.665,41 1.015,42 4.089,43 3.728,44 2,45 1.084,46 105.614,47 7.282,48 7.282,49 24,50 1,51 0.916,52 105.614,54 1.6,55 0.908,56 3.779,57 3.779,58 215.899,59 3.702,60 4.173,61 2.335,62 1.137,63 11.038,64 2.787,66 141.604,67 1.879,68 2.969,69 2.969,70 2.91,72 3.077,73 1.917,74 2.932,75 159.318,76 16,77 -0.071,78 1.626,79 7.098,80 0.68,81 3.082,82 15.168,83 1.35,84 4.098,85 4.098,86 4.098,87 5.093,88 4.093,89 10.978,90 8,91 6.411,92 0.515,93 6.339,94 16.804,95 4.802,96 2,97 8,98 14.755,99 8.733,100 3.936,101 2.664,102 17.766,103 17.766,104 17.766,105 17.766,106 17.766,107 0.314,108 23.595,109 1.391,110 1.338,111 24.156,112 0.203,113 3.866,114 10.614,115 22.292,116 22.292,117 22.292,118 22.292,119 22.292,120 19.389,121 1.889,122 0.123,123 16.068,125 -5.08,126 5.249,127 4.177,128 104.53,130 1.536,131 0.085,132 -5.19,133 3.779,134 4.411,135 4.411,137 1.806,138 1.886,140 3.749,141 3.749,142 1.378,144 3.028,145 1.463,146 4.228,147 1.418,148 3.693,149 4.982,150 1.456,152 15.991,153 2.622,154 2.622,155 48.991,156 1.744,157 0.179,159 1.199,160 0.112,162 4.202,163 8.736,164 0.441,165 5.29,166 1.967,167 4.065,168 2.275,169 2.275,170 1,171 1,172 1,173 19.855,174 20,175 2.989,176 2.989,177 -0.071,178 40.57,179 0.144,180 10.969,181 2.036,182 21.587,183 20.252,184 0.581,185 0.905,186 3.86,187 0.98,188 0.373,189 3.599,190 3.322,191 3.611,192 3.611,193 36,194 4.29,195 8.434,196 8.434,197 2.39,198 1.965,199 1.673,200 1.371,201 1.414,202 1.414,203 8.877,204 3.618,205 1.56,206 2.025,207 3.958,208 3.531,209 1.371,210 0.965,211 0.782,212 4.46,213 0.57,215 0.861,216 2.837,217 1.064,218 3.778,219 1.77,220 32.22,221 0.277,222 3.638,223 1.429,224 1.429,225 3.859,226 1.067,227 1.038,228 1.595,229 1.595,230 52.959,231 140.521,232 4.001,233 5.142,234 170,235 5.059,239 1.908,240 1.221,242 2.13,243 2.13,244 33,245 54.394,246 42.131,247 2,248 6.063,249 1.151,250 3.813,251 12.194,252 282.506,253 1.345,254 157,255 1.716,256 11.852,257 2.593,258 2.593,259 4.112,261 11.122,262 0.038,263 0.643,264 1.024,265 8.007,266 4.957,267 8,268 1.171,269 18,270 4.248,271 2,272 0.8,273 3.699,274 2.644,275 2.644,276 5.178,277 156.465,278 18.821,279 7.642}
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{0 CHEMBL1081212,1 13.915,2 2,3 59.699,4 84.324,6 3.188,7 2.215,8 0.662,9 2.293,10 4.085,12 0.009,13 1.2,14 1.2,15 11,17 2.416,18 1.313,19 0.579,22 4.469,23 4.469,24 3.522,25 3,26 3.209,27 10.299,28 3,29 1.965,30 -4.12,31 2.658,32 6.172,33 28.359,34 7.43,35 3.217,36 2.928,37 0.095,38 2,39 28,40 14.19,41 1.124,42 4.139,43 3.761,44 3,45 1.196,46 23.034,47 9.126,48 9.126,49 27,51 1.2,52 23.034,54 4.9,55 1.046,56 4.06,57 4.06,58 203.934,59 3.917,60 4.187,61 2.214,62 1.149,63 7.691,64 2.612,65 2,66 122.762,67 1.654,68 2.889,69 2.889,70 2.975,71 19.708,72 3.192,73 1.953,74 2.965,75 165.758,76 22,77 -0.038,78 1.712,79 7.382,80 0.681,81 2.109,82 25.017,83 1.412,84 4.382,85 4.382,86 4.382,87 5.061,88 4.148,89 11.315,90 13,91 5.754,92 1.491,93 6.228,94 17.606,95 4.816,97 12,98 16.002,99 9.12,100 4.019,101 2.999,102 18.637,103 18.637,104 18.637,105 18.637,106 18.637,107 2.776,108 24.231,109 1.423,110 1.448,111 25.66,112 0.197,113 3.961,114 11.004,115 23.3,116 23.3,117 23.3,118 23.3,119 23.3,120 20.266,121 1.932,122 0.118,123 12.566,125 -4.37,126 7.425,127 4.397,128 65.64,130 1.534,131 0.082,132 -4.44,133 3.749,134 3.754,135 3.754,136 2,137 2.344,138 2.114,140 3.671,141 3.671,142 1.532,144 3.153,145 1.494,146 4.267,147 1.573,148 3.733,149 5.023,150 2.148,152 16.546,153 2.633,154 2.633,155 56.036,156 1.755,157 0.174,159 1.193,160 0.108,162 4.277,163 8.841,164 1.928,165 5.619,166 2,167 4.141,168 2.275,169 2.275,170 2,171 1,172 1,173 20.617,174 23.5,175 3.381,176 3.381,177 -0.147,178 35.523,179 -0.097,180 10.178,181 2.047,182 22.51,183 21.088,184 1.045,185 0.93,186 3.96,187 1.009,188 2.356,189 3.724,190 3.807,191 3.664,192 3.664,193 38,194 4.344,195 9.644,196 9.644,197 2.462,198 1.853,199 1.677,200 1.437,201 1.491,202 1.491,204 3.637,205 1.571,206 2.086,207 3.996,208 3.56,209 1.512,210 1,211 1.709,212 4.644,213 0.57,215 1.064,216 2.81,217 1.174,218 3.783,219 1.809,221 0.274,222 4.057,223 1.499,224 1.499,225 3.918,226 1.767,227 0.55,228 2.266,229 2.266,230 58.315,231 132.03,232 3.971,233 5.22,234 184,235 5.196,239 1.975,240 1.731,241 1,242 2.181,243 2.181,244 34,245 59.61,246 41.517,248 6.503,249 1.208,250 3.867,251 12.633,252 270.735,253 1.36,254 148,255 1.772,256 13.427,257 2.806,258 2.806,259 4.225,261 12.891,262 0.049,263 0.814,264 0.928,265 9.213,266 5.072,267 5,268 1.131,269 24,270 4.644,271 8,272 0.86,273 3.726,274 3.008,275 3.008,276 5.31,277 166.974,278 19.619,279 5}
{0 CHEMBL1081254,1 13.915,2 2,3 59.699,4 84.324,6 3.188,7 2.215,8 0.662,9 2.293,10 4.24,12 0.009,13 1.2,14 1.2,15 11,17 2.416,18 1.118,19 0.579,22 4.469,23 4.469,24 3.522,25 3,26 3.209,27 10.299,28 3,29 1.965,30 -4.12,31 2.658,32 6.136,33 27.839,34 7.43,35 3.217,36 2.928,37 0.095,38 2,39 28,40 13.803,41 1.116,42 4.105,43 3.761,44 3,45 1.173,46 23.034,47 9.016,48 9.016,49 27,51 1.2,52 23.034,54 4.9,55 1.046,56 3.957,57 3.957,58 203.934,59 3.853,60 4.187,61 2.127,62 1.149,63 7.691,64 2.529,65 2,66 122.762,67 1.524,68 2.666,69 2.666,70 2.928,71 19.708,72 3.164,73 1.953,74 2.914,75 165.758,76 22,77 -0.057,78 1.598,79 7.382,80 0.681,81 2.109,82 25.102,83 1.406,84 4.382,85 4.382,86 4.382,87 5.05,88 4.148,89 11.309,90 13,91 5.754,92 1.491,93 6.208,94 17.604,95 4.821,97 12,98 15.981,99 9.111,100 4.017,101 2.96,102 18.626,103 18.626,104 18.626,105 18.626,106 18.626,107 2.776,108 24.231,109 1.44,110 1.438,111 25.66,112 0.197,113 3.961,114 10.996,115 23.248,116 23.248,117 23.248,118 23.248,119 23.248,120 20.261,121 1.932,122 0.118,123 12.566,125 -4.37,126 7.425,127 4.326,128 65.64,130 1.634,131 0.082,132 -4.44,133 3.753,134 3.754,135 3.754,136 2,137 2.354,138 2.245,140 3.625,141 3.625,142 1.523,144 3.296,145 1.495,146 4.266,147 1.566,148 3.734,149 5.023,150 2.149,152 16.529,153 2.303,154 2.303,155 56.04,156 1.754,157 0.174,159 1.192,160 0.108,162 4.214,163 8.833,164 1.928,165 5.616,166 2,167 4.09,168 2.275,169 2.275,170 2,171 1,172 1,173 20.592,174 23.5,175 3.904,176 3.904,177 -0.147,178 32.332,179 -0.05,180 10.172,181 2.047,182 22.43,183 21.011,184 1.045,185 0.93,186 3.959,187 1.009,188 2.356,189 3.726,190 3.807,191 3.664,192 3.664,193 38,194 4.344,195 9.143,196 9.143,197 2.447,198 1.798,199 1.678,200 1.432,201 1.469,202 1.469,204 3.638,205 1.571,206 2.027,207 4.034,208 3.56,209 1.501,210 1,211 1.686,212 4.644,213 0.57,215 1.033,216 2.758,217 1.183,218 3.783,219 1.809,221 0.274,222 4.318,223 1.515,224 1.515,225 3.918,226 1.774,227 0.551,228 2.275,229 2.275,230 58.325,231 132.03,232 3.968,233 5.22,234 184,235 5.196,239 1.975,240 1.741,241 1,242 2.319,243 2.319,244 34,245 59.388,246 41.517,248 6.389,249 1.225,250 3.867,251 12.629,252 270.735,253 1.356,254 196,255 1.772,256 13.464,257 2.78,258 2.78,259 4.174,261 11.637,262 0.043,263 0.96,264 0.935,265 9.198,266 5.009,267 5,268 1.054,269 24,270 4.644,271 8,272 0.86,273 3.727,274 3.173,275 3.173,276 5.25,277 162.219,278 19.543,279 5}
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{0 CHEMBL1081303,1 5.513,2 1,3 29.85,4 51.303,6 0.068,7 1.488,8 0.427,9 2.117,10 6.235,12 -0.002,13 1.058,14 1.058,15 9,17 1.47,18 1.061,19 0.405,20 2.402,22 4.624,23 4.624,24 1.706,25 2,26 5.012,27 25.125,28 1,29 2.025,30 -5.65,31 1.501,32 5.581,33 50.982,34 7.429,35 1.626,36 1.556,37 -0.03,38 1,39 32,40 26.108,41 1.116,42 4.567,43 3.929,44 2,45 1.192,46 26.158,47 7.382,48 7.382,49 29,50 1,51 0.8,52 26.158,54 1.3,55 1.117,56 3.709,57 3.709,58 182.54,59 3.659,60 4.416,61 2.323,62 1.162,63 5.317,64 2.546,66 94.762,67 1.553,68 3.052,69 3.052,70 2.961,71 8.825,72 3.174,73 1.913,74 2.946,75 120.733,76 17,77 -0.057,78 2.426,79 7.358,80 0.656,81 1.641,82 20.736,83 1.448,84 4.358,85 4.358,86 4.358,87 5.642,88 4.322,89 14.259,90 10,91 5.625,92 0.346,93 7.56,94 18.927,95 5.368,96 2,97 10,98 17.834,99 11.489,100 3.955,101 2.714,102 20.77,103 20.77,104 20.77,105 20.77,106 20.77,107 0.104,108 28.306,109 2.265,110 1.416,111 28.72,112 0.187,113 3.863,114 13.891,115 26.12,116 26.12,117 26.12,118 26.12,119 26.12,120 23.973,121 1.879,122 0.11,123 47.958,124 1,125 -6.08,126 4.944,127 4.157,128 40.51,130 1.963,131 0.078,132 -6.24,133 3.789,134 3.625,135 3.625,136 1,137 2.42,138 2.127,140 3.505,141 3.505,142 1.626,143 1,144 3.165,145 1.649,146 4.375,147 1.649,148 3.752,149 5.198,150 2.315,151 1,152 18.581,153 2.671,154 2.671,155 59.814,156 1.784,157 0.164,159 1.345,160 0.101,162 4.621,163 9.171,164 0.237,165 5.34,166 2.07,167 4.463,168 2.616,169 2.616,171 1.082,172 1.082,173 23.914,174 18,175 3.798,176 3.798,177 -0.181,178 56.666,179 0.079,180 18.22,181 2.063,182 22.197,183 20.768,184 0.479,185 1.053,186 3.861,187 0.988,188 0.158,189 3.647,190 3.392,191 3.761,192 3.761,193 42,194 4.443,195 8.809,196 8.809,197 2.449,198 1.773,199 1.693,200 1.424,201 1.475,202 1.475,204 3.681,205 1.513,206 1.863,207 4.469,208 3.667,209 1.612,210 1.067,211 1.176,212 4.669,213 0.57,215 0.895,216 2.734,217 1.405,218 3.99,219 1.88,221 0.273,222 4.228,223 1.59,224 1.59,225 3.905,226 1.001,227 0.551,228 2.488,229 2.488,230 62.546,231 159.028,232 4.001,233 5.293,234 198,235 5.2,239 1.902,240 2,241 1,242 2.201,243 2.201,244 38,245 63.562,246 51.802,247 1,248 6.167,249 1.458,250 3.854,251 14.158,252 435.531,253 1.513,254 214,255 1.834,256 13.818,257 2.523,258 2.523,259 4.453,261 19.649,262 0.041,263 2.047,264 1.064,265 7.692,266 5.409,267 6,268 1.086,269 18,270 4.248,271 10,272 0.8,273 3.766,274 2.794,275 2.794,276 5.66,277 187.421,278 19.296,279 5.972}
{0 CHEMBL1081468,1 5.513,2 3,3 29.85,4 66.19,6 0.068,7 1.488,8 0.531,9 2.117,10 7.821,12 0.028,13 1.058,14 1.058,15 8,17 1.47,18 1.224,19 0.486,22 4.464,23 4.464,24 1.706,25 6,26 3.594,27 12.92,28 1,29 1.974,30 -4.45,31 1.501,32 5.629,33 30.183,34 7.429,35 1.626,36 1.556,37 0.034,38 1,39 27,40 15.129,41 1.098,42 4.083,43 3.741,44 2,45 1.185,46 41.045,47 7.36,48 7.36,49 23,51 0.8,52 41.045,54 1.5,55 1.142,56 4.019,57 4.019,58 193.693,59 3.643,60 4.189,61 2.057,62 1.11,63 5.317,64 2.5,66 85.286,67 1.5,68 2.599,69 2.599,70 2.931,71 26.476,72 3.129,73 1.915,74 2.941,75 114.128,76 17,77 -0.083,78 1.674,79 7.159,80 0.65,81 1.641,82 18.63,83 1.46,84 4.159,85 4.159,86 4.159,87 5.144,88 4.111,89 11.483,90 9,91 5.598,92 0.346,93 6.105,94 17.395,95 4.862,96 2,97 9,98 15.117,99 9.24,100 3.983,101 2.987,102 17.244,103 17.244,104 17.244,105 17.244,106 17.244,107 0.104,108 23.455,109 1.37,110 1.418,111 23.463,112 0.206,113 3.902,114 11.081,115 21.69,116 21.69,117 21.69,118 21.69,119 21.69,120 19.31,121 1.888,122 0.128,123 33.18,124 1,125 -4.73,126 4.877,127 4.384,128 51.37,130 1.789,131 0.088,132 -4.82,133 3.769,134 3.598,135 3.598,136 1,137 2,138 1.981,140 3.505,141 3.505,142 1.473,143 1,144 3.013,145 1.485,146 4.197,147 1.56,148 3.7,149 4.936,150 1.525,151 1,152 15.525,153 2.275,154 2.275,155 50.654,156 1.736,157 0.188,159 1.206,160 0.117,162 4.242,163 8.649,164 0.237,165 5.296,166 1.967,167 4.058,168 2.213,169 2.213,171 1,172 1,173 19.431,174 18,175 3.153,176 3.153,177 -0.158,178 37.336,179 -0.002,180 10.262,181 2.009,182 21.886,183 20.508,184 0.479,185 1.053,186 3.901,187 0.99,188 0.158,189 3.498,190 3.392,191 3.584,192 3.584,193 35,194 4.263,195 8.543,196 8.543,197 2.301,198 1.547,199 1.627,200 1.284,201 1.339,202 1.339,204 3.614,205 1.524,206 1.731,207 3.939,208 3.501,209 1.424,210 0.965,211 1.317,212 4.521,213 0.57,215 0.97,216 2.533,217 1.144,218 3.792,219 1.766,221 0.295,222 3.845,223 1.414,224 1.414,225 3.855,226 1.154,227 0.635,228 2.136,229 2.136,230 52.434,231 133.664,232 3.92,233 5.118,234 166,235 5.051,239 1.926,240 1.35,241 3,242 2.034,243 2.034,244 32,245 53.661,246 42.898,247 1,248 6.501,249 1.218,250 3.8,251 11.875,252 353.133,253 1.53,254 141,255 1.701,256 11.816,257 2.57,258 2.57,259 4.175,261 12.58,262 0.045,263 1.954,264 0.857,265 7.628,266 5.151,267 7,268 1.048,269 18,270 4.248,271 4,272 0.8,273 3.699,274 2.714,275 2.714,276 5.438,277 150,278 19.073,279 6.523}
{0 CHEMBL1081644,1 5.513,2 1,3 29.85,4 51.303,6 0.068,7 1.488,8 0.565,9 2.117,10 8.069,12 0.008,13 1.058,14 1.058,15 8,17 1.47,18 1.125,19 0.472,20 2.097,22 4.605,23 4.605,24 1.706,25 2,26 3.793,27 14.385,28 1,29 1.974,30 -4.61,31 1.501,32 5.629,33 32.58,34 7.429,35 1.626,36 1.556,37 0.109,38 1,39 28,40 16.579,41 1.098,42 4.163,43 3.772,44 2,45 1.186,46 26.158,47 7.36,48 7.36,49 23,51 0.8,52 26.158,54 1.4,55 1.19,56 4.019,57 4.019,58 187.203,59 3.652,60 4.224,61 2.1,62 1.125,63 5.317,64 2.531,66 85.286,67 1.545,68 2.657,69 2.657,70 2.947,71 34.872,72 3.142,73 1.919,74 2.965,75 122.524,76 17,77 -0.079,78 1.804,79 7.344,80 0.647,81 1.641,82 18.809,83 1.463,84 4.344,85 4.344,86 4.344,87 5.233,88 4.148,89 11.865,90 9,91 5.62,92 0.346,93 6.172,94 18.62,95 4.943,96 2,97 9,98 15.506,99 9.522,100 3.985,101 2.987,102 17.692,103 17.692,104 17.692,105 17.692,106 17.692,107 0.104,108 24.236,109 1.467,110 1.418,111 23.868,112 0.205,113 3.903,114 11.4,115 22.242,116 22.242,117 22.242,118 22.242,119 22.242,120 19.925,121 1.892,122 0.128,123 33.18,124 1,125 -4.92,126 4.845,127 4.384,128 40.51,130 1.78,131 0.09,132 -5.02,133 3.774,134 3.62,135 3.62,136 1,137 2,138 2.095,140 3.505,141 3.505,142 1.474,143 1,144 3.162,145 1.517,146 4.224,147 1.562,148 3.708,149 4.971,150 1.529,151 1,152 15.952,153 2.59,154 2.59,155 52.003,156 1.744,157 0.189,159 1.206,160 0.117,162 4.329,163 8.741,164 0.237,165 5.411,166 2,167 4.144,168 2.275,169 2.275,171 1,172 1,173 19.903,174 18,175 3.17,176 3.17,177 -0.226,178 40.254,179 0.013,180 11.204,181 2.016,182 22.329,183 20.904,184 0.479,185 1.087,186 3.902,187 0.982,188 0.158,189 3.552,190 3.392,191 3.611,192 3.611,193 36,194 4.29,195 8.776,196 8.776,197 2.362,198 1.671,199 1.639,200 1.339,201 1.405,202 1.405,204 3.615,205 1.528,206 1.78,207 4.006,208 3.531,209 1.43,210 1,211 1.208,212 4.556,213 0.57,215 0.958,216 2.656,217 1.144,218 3.826,219 1.766,221 0.31,222 3.847,223 1.414,224 1.414,225 3.855,226 1.183,227 0.632,228 2.136,229 2.136,230 53.942,231 138.561,232 3.921,233 5.153,234 172,235 5.083,239 1.926,240 1.384,241 3,242 2.201,243 2.201,244 33,245 55.828,246 44.66,247 1,248 6.588,249 1.218,250 3.802,251 12.249,252 388.446,253 1.532,254 141,255 1.703,256 12.499,257 2.57,258 2.57,259 4.265,261 13.79,262 0.052,263 1.874,264 0.88,265 7.781,266 5.252,267 7,268 1.054,269 18,270 4.248,271 4,272 0.8,273 3.708,274 2.811,275 2.811,276 5.537,277 153.71,278 19.441,279 7.244}
{0 CHEMBL1081648,1 13.915,2 2,3 59.699,4 84.324,6 3.188,7 2.215,8 0.662,9 2.293,10 4.173,12 0.009,13 1.2,14 1.2,15 11,17 2.416,18 1.212,19 0.579,22 4.469,23 4.469,24 3.522,25 3,26 3.209,27 10.299,28 3,29 1.965,30 -4.12,31 2.658,32 6.158,33 29.221,34 7.43,35 3.217,36 2.928,37 0.095,38 2,39 28,40 14.811,41 1.12,42 4.142,43 3.761,44 3,45 1.182,46 23.034,47 9.095,48 9.095,49 27,51 1.2,52 23.034,54 4.9,55 1.046,56 3.973,57 3.973,58 203.934,59 3.865,60 4.187,61 2.17,62 1.149,63 7.691,64 2.595,65 2,66 122.762,67 1.633,68 2.685,69 2.685,70 2.955,71 19.708,72 3.179,73 1.953,74 2.946,75 165.758,76 22,77 -0.057,78 1.676,79 7.382,80 0.681,81 2.109,82 25.079,83 1.409,84 4.382,85 4.382,86 4.382,87 5.099,88 4.148,89 11.309,90 13,91 5.754,92 1.491,93 6.234,94 17.604,95 4.849,97 12,98 15.981,99 9.113,100 4.018,101 2.963,102 18.643,103 18.643,104 18.643,105 18.643,106 18.643,107 2.776,108 24.231,109 1.476,110 1.442,111 25.66,112 0.197,113 3.961,114 10.996,115 23.248,116 23.248,117 23.248,118 23.248,119 23.248,120 20.261,121 1.932,122 0.118,123 12.566,125 -4.37,126 7.425,127 4.334,128 65.64,130 1.534,131 0.082,132 -4.44,133 3.752,134 3.754,135 3.754,136 2,137 2.342,138 2.212,140 3.638,141 3.638,142 1.527,144 3.265,145 1.494,146 4.267,147 1.569,148 3.734,149 5.023,150 2.146,152 16.529,153 2.556,154 2.556,155 56.036,156 1.755,157 0.174,159 1.192,160 0.108,162 4.245,163 8.838,164 1.928,165 5.617,166 2,167 4.124,168 2.275,169 2.275,170 2,171 1,172 1,173 20.592,174 23.5,175 3.876,176 3.876,177 -0.147,178 34.142,179 -0.038,180 10.654,181 2.047,182 22.441,183 21.022,184 1.045,185 0.93,186 3.959,187 1.009,188 2.356,189 3.726,190 3.807,191 3.664,192 3.664,193 38,194 4.344,195 9.177,196 9.177,197 2.45,198 1.825,199 1.678,200 1.433,201 1.473,202 1.473,204 3.638,205 1.573,206 2.042,207 4.03,208 3.56,209 1.505,210 1,211 1.691,212 4.644,213 0.57,215 1.014,216 2.779,217 1.179,218 3.783,219 1.809,221 0.274,222 4.297,223 1.513,224 1.513,225 3.918,226 1.762,227 0.551,228 2.269,229 2.269,230 58.268,231 132.03,232 3.969,233 5.22,234 184,235 5.196,239 1.975,240 1.725,241 1,242 2.294,243 2.294,244 34,245 59.426,246 41.517,248 6.39,249 1.219,250 3.867,251 12.631,252 270.735,253 1.358,254 172,255 1.772,256 13.396,257 2.789,258 2.789,259 4.194,261 12.409,262 0.045,263 0.895,264 0.97,265 9.198,266 5.027,267 5,268 1.108,269 24,270 4.644,271 8,272 0.86,273 3.726,274 3.122,275 3.122,276 5.257,277 168.974,278 19.553,279 5}
{0 CHEMBL1081649,1 13.915,2 2,3 59.699,4 84.324,6 3.188,7 2.215,8 0.662,9 2.293,10 4.173,12 0.009,13 1.2,14 1.2,15 11,17 2.416,18 1.212,19 0.579,22 4.469,23 4.469,24 3.522,25 3,26 3.209,27 10.299,28 3,29 1.965,30 -4.12,31 2.658,32 6.158,33 29.221,34 7.43,35 3.217,36 2.928,37 0.095,38 2,39 28,40 14.811,41 1.12,42 4.142,43 3.761,44 3,45 1.182,46 23.034,47 9.095,48 9.095,49 27,51 1.2,52 23.034,54 4.9,55 1.046,56 3.973,57 3.973,58 203.934,59 3.865,60 4.187,61 2.17,62 1.149,63 7.691,64 2.595,65 2,66 122.762,67 1.633,68 2.685,69 2.685,70 2.955,71 19.708,72 3.179,73 1.953,74 2.946,75 165.758,76 22,77 -0.057,78 1.676,79 7.382,80 0.681,81 2.109,82 25.079,83 1.409,84 4.382,85 4.382,86 4.382,87 5.099,88 4.148,89 11.309,90 13,91 5.754,92 1.491,93 6.234,94 17.604,95 4.849,97 12,98 15.981,99 9.113,100 4.018,101 2.963,102 18.643,103 18.643,104 18.643,105 18.643,106 18.643,107 2.776,108 24.231,109 1.476,110 1.442,111 25.66,112 0.197,113 3.961,114 10.996,115 23.248,116 23.248,117 23.248,118 23.248,119 23.248,120 20.261,121 1.932,122 0.118,123 12.566,125 -4.37,126 7.425,127 4.334,128 65.64,130 1.534,131 0.082,132 -4.44,133 3.752,134 3.754,135 3.754,136 2,137 2.342,138 2.212,140 3.638,141 3.638,142 1.527,144 3.265,145 1.494,146 4.267,147 1.569,148 3.734,149 5.023,150 2.146,152 16.529,153 2.556,154 2.556,155 56.036,156 1.755,157 0.174,159 1.192,160 0.108,162 4.245,163 8.838,164 1.928,165 5.617,166 2,167 4.124,168 2.275,169 2.275,170 2,171 1,172 1,173 20.592,174 23.5,175 3.876,176 3.876,177 -0.147,178 34.142,179 -0.038,180 10.654,181 2.047,182 22.441,183 21.022,184 1.045,185 0.93,186 3.959,187 1.009,188 2.356,189 3.726,190 3.807,191 3.664,192 3.664,193 38,194 4.344,195 9.177,196 9.177,197 2.45,198 1.825,199 1.678,200 1.433,201 1.473,202 1.473,204 3.638,205 1.573,206 2.042,207 4.03,208 3.56,209 1.505,210 1,211 1.691,212 4.644,213 0.57,215 1.014,216 2.779,217 1.179,218 3.783,219 1.809,221 0.274,222 4.297,223 1.513,224 1.513,225 3.918,226 1.762,227 0.551,228 2.269,229 2.269,230 58.268,231 132.03,232 3.969,233 5.22,234 184,235 5.196,239 1.975,240 1.725,241 1,242 2.294,243 2.294,244 34,245 59.426,246 41.517,248 6.39,249 1.219,250 3.867,251 12.631,252 270.735,253 1.358,254 172,255 1.772,256 13.396,257 2.789,258 2.789,259 4.194,261 12.409,262 0.045,263 0.895,264 0.97,265 9.198,266 5.027,267 5,268 1.108,269 24,270 4.644,271 8,272 0.86,273 3.726,274 3.122,275 3.122,276 5.257,277 168.974,278 19.553,279 5}
{0 CHEMBL1082209,1 13.915,2 2,3 59.699,4 73.324,6 20.124,7 5.451,8 0.718,9 5.335,10 1.369,12 0.34,13 3.825,14 3.825,15 11,17 8.061,18 0.941,19 0.55,22 4.478,23 4.478,24 18.783,25 3,26 4.273,27 18.261,28 2,29 1.966,30 -5.02,31 10.735,32 6.174,33 29.132,34 8.513,35 16.1,36 13.417,37 0.254,38 2,39 28,40 12.748,41 1.082,42 4.111,43 3.777,44 3,45 1.112,46 67.914,47 9.141,48 9.141,49 27,51 1.2,52 23.034,54 3.3,55 1.002,56 4.019,57 4.019,58 198.753,59 3.967,60 4.193,61 2.265,62 1.15,63 13.622,64 2.656,65 2,66 122.762,67 1.706,68 3.615,69 3.615,70 2.981,71 8.825,72 3.179,73 1.953,74 2.952,75 152.817,76 22,77 -0.013,78 1.985,79 7.382,80 0.681,81 3.281,82 21.027,83 1.33,84 4.382,85 4.382,86 4.382,87 5.076,88 4.179,89 11.479,90 13,91 6.46,92 9.389,93 6.373,94 18.895,95 4.837,97 12,98 16.515,99 9.248,100 4.026,101 2.996,102 19.69,103 19.69,104 19.69,105 19.69,106 19.69,107 17.441,108 24.944,109 1.626,110 1.41,111 26.353,112 0.195,113 3.97,114 11.26,115 23.85,116 23.85,117 23.85,118 23.85,119 23.85,120 21.111,121 1.932,122 0.112,123 12.566,125 -5.38,126 7.999,127 4.469,128 56.41,130 1.559,131 0.083,132 -5.5,133 3.769,134 4.46,135 4.46,136 2,137 2.5,138 2.307,139 39.112,140 3.737,141 3.737,142 1.417,144 3.335,145 1.682,146 4.316,147 1.36,148 3.752,149 5.084,150 2.341,152 17.203,153 2.668,154 2.668,155 59.306,156 1.768,157 0.178,159 1.205,160 0.105,162 4.226,163 9.002,164 12.074,165 6.129,166 2.079,167 4.141,168 2.508,169 2.508,170 2,171 1.094,172 1.094,173 21.233,174 23,175 3.96,176 3.96,177 -0.076,178 35.78,179 -0.045,180 10.282,181 2.05,182 22.506,183 21.089,184 6.692,185 0.898,186 3.969,187 1.019,188 14.758,189 4.222,190 3.807,191 3.714,192 3.714,193 40,194 4.394,195 9.684,196 9.684,197 2.478,198 1.864,199 1.682,200 1.465,201 1.494,202 1.494,204 3.645,205 1.579,206 2.265,207 3.981,208 3.615,209 1.462,210 1.07,211 1.066,212 4.706,213 3.919,215 1.039,216 2.815,217 1.18,218 3.781,219 1.819,221 0.293,222 4.334,223 1.534,224 1.534,225 3.927,226 1.178,227 0.543,228 2.275,229 2.275,230 62.928,231 131.541,232 3.982,233 5.293,234 198,235 5.26,236 3,237 3,238 44.88,239 1.983,240 1.939,241 2,242 2.347,243 2.347,244 36,245 62.981,246 40.875,248 6.608,249 1.213,250 3.876,251 13.851,252 235.422,253 1.25,254 160,255 1.785,256 13.935,257 2.851,258 2.851,259 4.206,261 12.614,262 0.048,263 0.901,264 0.964,265 9.392,266 5.029,267 5,268 1.126,269 24,270 4.644,271 8,272 1.2,273 3.745,274 3.366,275 3.366,276 5.253,277 177.362,278 19.625,279 5}
{0 CHEMBL1082210,1 28.875,2 2,3 59.699,4 73.324,6 3.188,7 2.088,8 0.522,9 2.293,10 2.562,12 0.042,13 1.2,14 1.2,15 11,16 1,17 2.341,18 1.149,19 0.595,22 4.469,23 4.469,24 3.515,25 3,26 3.882,27 15.073,28 2,29 1.964,30 -4.69,31 2.615,32 6.152,33 25.577,34 8.201,35 3.204,36 2.904,37 -0.001,38 2,39 27,40 12.61,41 1.035,42 4.046,43 3.723,44 3,45 1.066,46 37.994,47 9.078,48 9.078,49 27,50 1,51 1.2,52 23.034,54 3.5,55 0.986,56 3.968,57 3.968,58 196.929,59 3.859,60 4.153,61 2.161,62 1.149,63 5.971,64 2.593,65 2,66 122.762,67 1.631,68 2.677,69 2.677,70 2.868,71 8.825,72 3.025,73 1.953,74 2.862,75 158.752,76 22,77 -0.062,78 1.621,79 7.382,80 0.688,81 1.911,82 23.109,83 1.254,84 4.382,85 4.382,86 4.382,87 4.975,88 4.118,89 10.902,90 13,91 5.754,92 1.491,93 6.088,94 17.604,95 4.735,97 12,98 15.482,99 8.786,100 4.017,101 2.961,102 18.216,103 18.216,104 18.216,105 18.216,106 18.216,107 2.776,108 23.343,109 1.355,110 1.257,111 24.967,112 0.2,113 3.96,114 10.654,115 22.378,116 22.378,117 22.378,118 22.378,119 22.378,120 19.743,121 1.932,122 0.121,123 12.566,125 -5.01,126 7.43,127 4.331,128 56.41,130 1.558,131 0.085,132 -5.11,133 3.748,134 3.754,135 3.754,136 2,137 2.342,138 2.143,139 13.5,140 3.629,141 3.629,142 1.412,144 3.207,145 1.494,146 4.238,147 1.359,148 3.733,149 4.979,150 2.146,152 15.991,153 2.538,154 2.538,155 54.961,156 1.747,157 0.179,159 1.188,160 0.111,162 4.163,163 8.752,164 1.928,165 5.616,166 2,167 4.053,168 2.275,169 2.275,170 2,171 1,172 1,173 19.67,174 23,175 3.815,176 3.815,177 -0.099,178 31.714,179 -0.052,180 9.353,181 2.047,182 22.436,183 21.017,184 1.045,185 0.893,186 3.958,187 1.025,188 2.356,189 3.723,190 3.807,191 3.638,192 3.638,193 37,194 4.317,195 9.161,196 9.161,197 2.414,198 1.819,199 1.675,200 1.393,201 1.438,202 1.438,204 3.636,205 1.577,206 2.01,207 3.936,208 3.532,209 1.448,210 1,211 1.37,212 4.628,213 0.57,215 1.026,216 2.77,217 1.174,218 3.743,219 1.807,221 0.281,222 4.25,223 1.501,224 1.501,225 3.919,226 1.373,227 0.507,228 2.269,229 2.269,230 57.28,231 125.783,232 3.97,233 5.198,234 180,235 5.179,236 1,237 1,238 14.96,239 1.974,240 1.725,241 1,242 2.245,243 2.245,244 33,245 58.062,246 39.239,248 6.39,249 1.206,250 3.866,251 12.3,252 250.382,253 1.25,254 149,255 1.768,256 12.973,257 2.784,258 2.784,259 4.125,261 11.429,262 0.047,263 0.712,264 0.944,265 8.917,266 4.954,267 5,268 1.106,269 24,270 4.644,271 8,272 0.293,273 3.725,274 3.094,275 3.094,276 5.185,277 162.465,278 19.548,279 5}
{0 CHEMBL1082211,1 13.915,2 2,3 59.699,4 73.324,6 3.188,7 2.088,8 0.476,9 2.293,10 3.562,12 0.087,13 1.2,14 1.2,15 12,17 2.341,18 1.439,19 0.611,22 4.469,23 4.469,24 3.515,25 3,26 3.515,27 12.354,28 2,29 1.967,30 -4.38,31 2.615,32 6.129,33 25.664,34 7.43,35 3.204,36 2.904,37 0.038,38 2,39 27,40 12.786,41 1.036,42 4.048,43 3.714,44 3,45 1.067,46 23.034,47 8.993,48 8.993,49 27,51 1.2,52 23.034,54 3.5,55 0.987,56 3.934,57 3.934,58 197.284,59 3.843,60 4.155,61 2.107,62 1.149,63 5.971,64 2.527,65 2,66 132.239,67 1.522,68 2.618,69 2.618,70 2.868,71 8.825,72 3.024,73 1.953,74 2.862,75 159.107,76 22,77 -0.024,78 1.554,79 7.382,80 0.689,81 1.911,82 27.467,83 1.254,84 4.382,85 4.382,86 4.382,87 4.973,88 4.105,89 10.828,90 14,91 5.754,92 1.491,93 6.032,94 17.604,95 4.731,97 13,98 15.206,99 8.736,100 4.014,101 2.957,102 17.732,103 17.732,104 17.732,105 17.732,106 17.732,107 2.776,108 22.921,109 1.339,110 1.257,111 24.561,112 0.202,113 3.96,114 10.56,115 21.93,116 21.93,117 21.93,118 21.93,119 21.93,120 19.374,121 1.932,122 0.124,123 12.566,125 -4.66,126 7.425,127 4.319,128 56.41,130 1.803,131 0.087,132 -4.74,133 3.741,134 3.754,135 3.754,136 2,137 2.341,138 1.989,140 3.564,141 3.564,142 1.412,144 3.017,145 1.494,146 4.211,147 1.36,148 3.73,149 4.943,150 2.146,152 15.597,153 2.275,154 2.275,155 53.691,156 1.74,157 0.184,159 1.191,160 0.114,162 4.166,163 8.664,164 1.928,165 5.616,166 2,167 4.036,168 2.257,169 2.257,170 2,171 1,172 1,173 19.247,174 23,175 2.824,176 2.824,177 -0.118,178 31.103,179 -0.058,180 9.343,181 2.049,182 22.401,183 20.979,184 1.045,185 0.9,186 3.957,187 1.025,188 2.356,189 3.648,190 3.807,191 3.611,192 3.611,193 36,194 4.29,195 9.14,196 9.14,197 2.228,198 1.674,199 1.677,200 1.224,201 1.225,202 1.225,204 3.635,205 1.572,206 1.859,207 3.937,208 3.502,209 1.448,210 1,211 1.807,212 4.6,213 0.57,215 1.022,216 2.627,217 1.174,218 3.744,219 1.811,221 0.289,222 3.742,223 1.494,224 1.494,225 3.917,226 1.81,227 0.531,228 2.136,229 2.136,230 55.569,231 125.567,232 3.961,233 5.165,234 174,235 5.15,239 1.975,240 1.724,241 1,242 2.044,243 2.044,244 32,245 55.924,246 39.301,248 6.389,249 1.207,250 3.863,251 11.9,252 247.193,253 1.25,254 152,255 1.771,256 12.646,257 2.763,258 2.763,259 4.111,261 11.39,262 0.045,263 0.952,264 0.927,265 8.713,266 4.94,267 4,268 1.097,269 24,270 4.644,271 8,272 0.293,273 3.726,274 2.894,275 2.894,276 5.177,277 147.245,278 19.507,279 5}
{0 CHEMBL1082452,1 29.92,3 72.87,4 62.617,7 0.05,8 0.562,9 0.8,10 -0.355,12 0.116,13 0.4,14 0.4,15 6,16 2,17 0.008,18 0.997,19 0.531,22 4.983,23 4.983,26 3.89,27 15.131,28 2,29 1.958,30 -4.7,31 0.001,32 5.49,33 29.057,34 8.211,37 -0.042,39 22,40 13.31,41 0.812,42 3.975,43 3.608,44 2,45 0.879,46 48.224,47 7.076,48 7.076,49 22,50 2,52 18.304,54 3.9,55 1.193,56 4.166,57 4.166,58 145.206,59 3.814,60 4.07,61 1.984,62 1.16,63 0.8,64 2.23,66 81.617,67 1.081,68 2.275,69 2.275,70 2.744,72 2.918,73 1.932,74 2.735,75 101.361,76 15,77 -0.034,78 1.586,79 7.875,80 0.683,81 0.278,82 14.085,83 1.12,84 4.875,85 4.875,86 4.875,87 4.992,88 4.005,89 9.732,90 9,91 6.745,93 5.317,94 22.351,95 4.725,97 8,98 12.678,99 7.758,100 3.958,101 2.79,102 15.768,103 15.768,104 15.768,105 15.768,106 15.768,108 20.569,109 1.413,110 1.097,111 21.266,112 0.217,113 3.876,114 9.452,115 19.41,116 19.41,117 19.41,118 19.41,119 19.41,120 17.783,121 1.901,122 0.156,123 14.35,125 -5.02,126 8.191,127 4.319,128 50.27,130 1.167,131 0.111,132 -5.12,133 3.665,134 4.745,135 4.745,137 1.232,138 1.825,139 26.833,140 3.879,141 3.879,142 1.429,144 2.869,145 1.433,146 4.103,147 1.244,148 3.747,149 4.781,150 1.043,152 13.948,153 1.856,154 1.856,155 46.222,156 1.715,157 0.242,159 1.273,160 0.14,162 4.023,163 8.385,165 5.263,166 1.672,167 3.914,168 1.693,169 1.693,170 3,171 0.702,172 0.702,173 17.054,174 19,175 2.789,176 2.789,177 -0.087,178 30.071,179 0.042,180 10.57,181 2.061,182 23.881,183 22.324,185 0.961,186 3.876,187 1.011,189 3.414,190 3.524,191 3.497,192 3.497,193 32,194 4.174,195 8.712,196 8.712,197 2.244,198 1.725,199 1.569,200 1.24,201 1.255,202 1.255,203 4.267,204 3.535,205 1.55,206 1.896,207 3.805,208 3.408,209 1.376,210 0.679,211 1.041,212 4.448,215 0.953,216 2.723,217 1.064,218 3.656,219 1.828,221 0.437,222 3.588,223 1.422,224 1.422,225 3.903,226 1.112,227 0.538,228 0.097,229 0.097,230 48.278,231 108.748,232 3.931,233 5.056,234 156,235 5.026,236 2,237 2,238 29.92,239 2.067,240 0.534,242 1.91,243 1.91,244 29,245 49.689,246 34.819,248 6.388,249 1.153,250 3.874,251 11.114,252 241.8,253 1.131,254 130,255 1.792,256 10.984,257 2.491,258 2.491,259 3.985,261 11.335,262 0.048,263 0.922,264 1.205,265 6.863,266 4.839,267 4,268 1.039,269 19,270 4.322,271 6,273 3.78,274 2.642,275 2.642,276 5.064,277 132.881,278 20.757,279 8.678}
{0 CHEMBL1082467,1 29.92,2 2,3 74.163,4 102.355,7 5.039,8 0.82,9 5.9,10 -0.159,12 0.098,13 2.95,14 2.95,15 11,16 2,17 7.186,18 0.965,19 0.6,22 4.97,23 4.97,24 15.838,25 1,26 4.527,27 20.497,28 3,29 1.925,30 -5.24,31 9.348,32 5.593,33 14.635,34 8.211,35 13.675,36 11.511,37 -0.051,38 1,39 21,40 6.575,41 0.821,42 3.635,43 3.516,44 3,45 0.886,46 62.817,47 7.148,48 7.148,49 18,50 2,51 0.98,52 32.897,54 7,55 0.992,56 3.917,57 3.917,58 191.693,59 3.742,60 3.913,61 2,62 1.018,63 7.86,64 2.5,66 129.237,67 1.5,68 2.275,69 2.275,70 2.715,72 2.854,73 1.917,74 2.735,75 139.844,76 21,77 -0.108,78 1.064,79 7.864,80 0.721,81 3.012,82 14.603,83 1.107,84 4.864,85 4.864,86 4.864,87 4.418,88 3.875,89 8.183,90 11,91 7.351,93 4.884,94 21.573,95 4.232,97 11,98 12.022,99 6.535,100 3.943,101 2.762,102 14.727,103 14.727,104 14.727,105 14.727,106 14.727,108 18.775,109 0.91,110 1.062,111 19.186,112 0.228,113 3.88,114 7.901,115 18.203,116 18.203,117 18.203,118 18.203,119 18.203,120 15.504,121 1.899,122 0.166,123 32.897,125 -5.62,126 8.191,127 4.255,128 77.23,130 1.62,131 0.117,132 -5.76,133 3.602,134 5.351,135 5.351,136 1,137 1,138 1.915,139 26.565,140 3.684,141 3.684,142 1.107,144 2.973,145 1.367,146 4.049,147 1.181,148 3.775,149 4.706,150 0.965,152 13.269,153 1.802,154 1.802,155 43.286,156 1.704,157 0.256,159 1.105,160 0.146,162 3.716,163 8.272,165 5.281,166 0.984,167 3.636,168 0.098,169 0.098,170 1,171 0.041,172 0.041,173 15.49,174 24,175 2.275,176 2.275,177 0.082,178 18.718,179 0.128,180 6.394,181 2.003,182 23.785,183 22.225,185 0.789,186 3.877,187 1.012,189 3.414,190 3.807,191 3.434,192 3.434,193 30,194 4.111,195 8.183,196 8.183,197 2,198 1.5,199 1.493,200 1,201 1,202 1,204 3.479,205 1.596,206 1.602,207 3.471,208 3.374,209 1.068,210 0.038,211 1.035,212 4.371,215 0.914,216 2.5,217 0.821,218 3.553,219 1.828,221 0.454,222 3.414,223 1.078,224 1.078,225 3.864,226 1.178,227 0.625,228 -1.107,229 -1.107,230 46.071,231 104.058,232 3.917,233 4.99,234 146,235 5.021,236 2,237 2,238 29.92,239 2.056,240 0.446,242 2.008,243 2.008,244 28,245 46.916,246 30.983,247 1,248 6.06,249 0.886,250 3.84,251 10.658,252 182.945,253 1.116,254 120,255 1.806,256 10.221,257 2.512,258 2.512,259 3.698,261 7.622,262 0.049,263 1.094,264 1.067,265 8.315,266 4.327,267 7,268 1.046,269 22,270 4.524,271 5,273 3.777,274 2.856,275 2.856,276 4.504,277 122.606,278 20.655,279 9.187}
{0 CHEMBL1082473,1 2.757,2 4,3 102.597,4 132.551,5 1,6 0.035,7 1.826,8 0.806,9 2.117,10 4.063,12 0.015,13 1.058,14 1.058,15 7,17 1.742,18 0.939,19 0.436,20 1.75,22 4.743,23 4.743,24 1.783,25 3,26 1.185,27 1.405,28 5,29 1.961,30 -2.4,31 1.707,32 5.714,33 37.437,34 7.716,35 1.735,36 1.708,37 0.055,38 1,39 25,40 18.089,41 1.18,42 4.226,43 3.775,44 2,45 1.228,46 41.093,47 7.63,48 7.63,49 23,51 0.86,52 41.093,54 7.5,55 1.362,56 4.186,57 4.186,58 194.617,59 3.86,60 4.165,61 2.101,62 1.07,63 7.957,64 2.562,65 3,66 81.617,67 1.587,68 2.599,69 2.599,70 2.942,71 26.47,72 3.187,73 1.876,74 2.941,75 129.356,76 16,77 -0.207,78 1.705,79 7.51,80 0.654,81 2.012,82 16.084,83 1.532,84 4.51,85 4.51,86 4.51,87 5.308,88 4.135,89 11.55,90 9,91 6.375,92 0.188,93 6.519,94 18.744,95 5.077,97 8,98 15.568,99 9.152,100 4.004,101 3.036,102 19.178,103 19.178,104 19.178,105 19.178,106 19.178,107 0.054,108 25.385,109 1.721,110 1.514,111 25.542,112 0.198,113 3.925,114 11.052,115 23.927,116 23.927,117 23.927,118 23.927,119 23.927,120 20.662,121 1.858,122 0.122,123 33.132,125 -2.45,126 7.429,127 4.488,128 106,130 1.216,131 0.085,132 -2.42,133 3.758,134 4.375,135 4.375,136 1,137 2.189,138 2.213,140 3.808,141 3.808,142 1.562,144 3.295,145 1.554,146 4.306,147 1.572,148 3.83,149 5.086,150 2,151 1,152 17.241,153 2.526,154 2.526,155 55.499,156 1.774,157 0.182,159 1.146,160 0.109,161 1,162 4.222,163 9.034,164 0.125,165 5.357,166 1.996,167 4.13,168 2.417,169 2.417,170 3,171 1.011,172 1.011,173 21.422,174 22,175 3.363,176 3.363,177 -0.269,178 36.33,179 0.11,180 13.002,181 2.033,182 22.953,183 21.489,184 0.268,185 1.07,186 3.839,187 0.97,188 0.082,189 3.717,190 3.644,191 3.689,192 3.689,193 39,194 4.369,195 8.863,196 8.863,197 2.373,198 1.78,199 1.563,200 1.356,201 1.385,202 1.385,203 4.27,204 3.607,205 1.559,206 1.947,207 4.231,208 3.615,209 1.551,210 0.985,211 1.014,212 4.614,213 0.325,215 0.861,216 2.787,217 1.276,218 3.801,219 1.85,221 0.299,222 4.03,223 1.559,224 1.559,225 3.941,226 1.189,227 0.627,228 2.275,229 2.275,230 58.561,231 138.548,232 4.006,233 5.242,234 188,235 5.194,239 1.916,240 1.769,242 2.349,243 2.349,244 36,245 59.708,246 43.847,247 1,248 6.675,249 1.332,250 3.917,251 13.491,252 353.133,253 1.561,254 184,255 1.84,256 12.804,257 2.562,258 2.562,259 4.204,261 11.934,262 0.042,263 0.726,264 1.087,265 9.185,266 5.072,267 6,268 0.914,269 20,270 4.392,271 1,272 0.86,273 3.833,274 3.018,275 3.018,276 5.307,277 180.117,278 20.007,279 7.553}
{0 CHEMBL1082474,1 2.757,2 4,3 58.284,4 144.289,5 1,7 1.749,8 1.629,9 2.117,10 4.142,12 -0.14,13 1.058,14 1.058,15 7,17 1.693,18 0.896,19 0.531,20 1.75,21 1,22 4.488,23 4.488,24 1.776,25 3,26 1.356,27 1.838,28 4,29 1.859,30 -2.54,31 1.676,32 5.334,33 28.854,34 7.429,35 1.723,36 1.688,37 0.005,38 1,39 22,40 14.141,41 1.067,42 4.023,43 3.578,44 2,45 1.129,46 54.461,47 6.867,48 6.867,49 17,51 0.86,52 54.461,54 7.1,55 1.173,56 3.808,57 3.808,58 194.478,59 3.512,60 3.919,61 2.036,62 1.067,63 6.357,64 2.334,65 3,66 136.504,67 1.309,68 2.364,69 2.364,70 2.831,71 19.279,72 3.07,73 1.875,74 2.855,75 122.166,76 16,77 -0.093,78 1.431,79 7.186,80 0.647,81 1.875,82 16.083,83 1.374,84 4.186,85 4.186,86 4.186,87 5.07,88 3.9,89 9.448,90 9,91 5.577,93 5.89,94 17.844,95 4.83,97 8,98 13.854,99 7.677,100 3.917,101 2.845,102 15.719,103 15.719,104 15.719,105 15.719,106 15.719,108 20.871,109 1.347,110 1.392,111 21.266,112 0.217,113 3.833,114 9.211,115 20.568,116 20.568,117 20.568,118 20.568,119 20.568,120 16.208,121 1.857,122 0.14,123 26.815,125 -2.61,126 6.456,127 4.225,128 97.64,130 0.956,131 0.098,132 -2.59,133 3.657,134 3.577,135 3.577,136 1,137 1.583,138 1.678,140 3.542,141 3.542,142 1.533,144 2.742,145 1.357,146 4.123,147 1.561,148 3.606,149 4.843,150 1.304,152 14.618,153 2.05,154 2.05,155 44.188,156 1.731,157 0.209,159 1.094,160 0.128,161 1,162 4.05,163 8.518,165 5.146,166 1.479,167 3.974,168 1.116,169 1.116,171 0.594,172 0.594,173 18.418,174 19,175 2.489,176 2.489,177 -0.1,178 29.78,179 0.033,180 9.832,181 1.973,182 21.751,183 20.378,185 1.012,186 3.836,187 0.937,189 3.394,190 3.392,191 3.497,192 3.497,193 32,194 4.174,195 7.628,196 7.628,197 2.1,198 1.511,199 1.418,200 1.093,201 1.135,202 1.135,203 4.232,204 3.439,205 1.5,206 1.587,207 3.975,208 3.44,209 1.516,210 0.521,211 1.024,212 4.362,215 0.957,216 2.544,217 1.182,218 3.581,219 1.606,221 0.336,222 3.475,223 1.241,224 1.241,225 3.807,226 1.015,227 0.777,228 0.621,229 0.621,230 46.445,231 114.854,232 3.869,233 5.004,234 148,235 4.951,239 1.916,240 1.024,241 1,242 1.811,243 1.811,244 30,245 48.115,246 36.216,247 1,248 6.089,249 1.228,250 3.757,251 11.05,252 270.735,253 1.307,254 164,255 1.531,256 10.224,257 2.355,258 2.355,259 4.012,261 9.52,262 0.039,263 0.755,264 1.026,265 8.116,266 4.89,267 6,268 1.036,269 18,270 4.248,271 1,272 0.86,273 3.585,274 2.737,275 2.737,276 5.107,277 147.207,278 18.943,279 8.745}
{0 CHEMBL1082723,1 19.861,2 7,3 29.85,4 77.952,6 12.698,7 3.667,8 0.638,9 3.904,10 3.24,12 0.03,13 2.332,14 2.332,15 5,16 1,17 5.19,18 0.859,19 0.533,21 1,22 4.977,23 4.977,24 11.858,25 8,26 3.578,27 12.8,28 1,29 1.877,30 -4.43,31 6.82,32 5.859,33 28.629,34 8.201,35 10.17,36 8.487,37 -0.13,38 1,39 19,40 8.071,41 0.725,42 3.844,43 3.484,44 2,45 0.779,46 67.767,47 7.81,48 7.81,49 22,50 3,51 1.133,52 52.807,54 2.5,55 0.697,56 4.212,57 4.212,58 148.977,59 3.615,60 3.973,61 1.78,62 1.044,63 7.431,64 2.219,66 65.392,67 1.121,68 2.342,69 2.342,70 2.513,71 8.825,72 2.742,73 1.899,74 2.55,75 84.81,76 15,77 0.01,78 1.16,79 7.685,80 0.736,81 2.466,82 8.332,83 1,84 4.685,85 4.685,86 4.685,87 4.464,88 3.953,89 8.261,90 5,91 6.409,92 5.87,93 4.49,94 25.214,95 4.248,96 1,97 5,98 11.446,99 6.524,100 3.955,101 3.057,102 14.776,103 14.776,104 14.776,105 14.776,106 14.776,107 11.002,108 18.181,109 0.829,110 0.963,111 19.709,112 0.225,113 3.887,114 8.02,115 17.245,116 17.245,117 17.245,118 17.245,119 17.245,120 16.316,121 1.879,122 0.166,123 20.545,125 -4.72,126 7.428,127 4.552,128 56.92,130 0.509,131 0.127,132 -4.81,133 3.403,134 4.409,135 4.409,136 1,137 0.91,138 1.852,139 14.073,140 3.585,141 3.585,142 1.121,144 2.978,145 1.618,146 4.012,147 1.088,148 3.546,149 4.602,150 0.739,152 12.397,153 0.551,154 0.551,155 44.639,156 1.701,157 0.276,159 1.128,160 0.159,162 4.036,163 8.152,164 7.593,165 5.456,166 0.897,167 3.943,173 15.194,174 16,175 3.207,176 3.207,177 0.039,178 29.97,179 -0.074,180 7.341,181 1.989,182 23.366,183 21.854,184 4.121,185 0.687,186 3.889,187 1.054,188 9.301,189 3.79,190 3.322,191 3.434,192 3.434,193 30,194 4.111,195 8.574,196 8.574,197 2.096,198 1.506,199 1.325,200 1.062,201 1.149,202 1.149,204 3.247,205 1.662,206 2.073,207 3.391,208 3.307,209 1.114,211 0.972,212 4.478,213 2.316,215 1.019,216 2.514,217 0.871,218 3.494,219 1.749,221 0.551,222 4.214,223 1.548,224 1.548,225 3.709,226 0.742,227 0.528,228 -1.279,229 -1.279,230 48.047,231 98.669,232 4.028,233 5.056,234 156,235 5.011,236 1,237 1,238 14.96,239 1.933,240 0.39,241 1,242 2.064,243 2.064,244 26,245 50.668,246 29.455,247 1,248 6.749,249 0.913,250 3.66,251 9.708,252 85.587,253 1.03,254 76,255 1.709,256 11.105,257 2.472,258 2.472,259 4.083,261 9.812,262 0.061,263 1.477,264 1.045,265 6.316,266 4.779,267 7,268 1.154,269 17,270 4.17,271 1,272 0.178,273 3.549,274 2.747,275 2.747,276 4.975,277 122.211,278 20.327,279 5}
{0 CHEMBL1082773,1 29.92,3 44.313,4 44.313,7 5.027,8 0.609,9 5.9,10 0.082,12 0.075,13 2.95,14 2.95,15 12,16 2,17 7.185,18 1.018,19 0.667,22 4.969,23 4.969,24 15.838,26 5.616,27 31.541,28 2,29 1.925,30 -6.16,31 9.348,32 5.286,33 13.288,34 8.211,35 13.675,36 11.511,37 -0.097,39 20,40 6.479,41 0.805,42 3.507,43 3.436,44 3,45 0.861,46 29.92,47 6.321,48 6.321,49 18,50 2,54 5.1,55 1.029,56 3.917,57 3.917,58 160.382,59 3.515,60 3.84,61 1.753,62 1.008,63 5.9,64 2.423,66 138.713,67 1.192,68 1.799,69 1.799,70 2.715,72 2.854,73 1.913,74 2.733,75 141.43,76 20,77 -0.073,78 0.941,79 7.862,80 0.731,81 2.913,82 17.779,83 1.079,84 4.862,85 4.862,86 4.862,87 4.257,88 3.786,89 7.553,90 12,91 7.351,93 4.587,94 21.567,95 4.039,97 12,98 10.828,99 6.031,100 3.941,101 2.757,102 13.292,103 13.292,104 13.292,105 13.292,106 13.292,108 17.055,109 0.784,110 1.062,111 17.682,112 0.238,113 3.879,114 7.277,115 16.548,116 16.548,117 16.548,118 16.548,119 16.548,120 14.128,121 1.895,122 0.184,125 -6.66,126 8.191,127 4.255,128 34.14,130 1.808,131 0.13,132 -6.85,133 3.543,134 5.351,135 5.351,137 0.964,138 1.595,139 26.477,140 3.54,141 3.54,142 1.107,144 2.618,145 1.1,146 3.944,147 1.13,148 3.752,149 4.56,150 0.796,152 11.964,153 0.096,154 0.096,155 38.286,156 1.674,157 0.284,159 1.099,160 0.162,162 3.606,163 7.948,165 4.955,166 0.461,167 3.515,168 -1.162,169 -1.162,170 1,171 -0.494,172 -0.494,173 13.952,174 22.5,175 2.136,176 2.136,177 0.021,178 15.182,179 0.084,180 5.728,181 2,182 23.767,183 22.204,185 0.823,186 3.873,187 1.019,189 3.247,190 3.7,191 3.332,192 3.332,193 27,194 4.007,195 7.172,196 7.172,197 2,198 1.5,199 1.453,200 1,201 1,202 1,204 3.428,205 1.56,206 1.5,207 3.291,208 3.266,209 1.062,210 -0.426,211 1.091,212 4.231,215 0.912,216 2.5,217 0.821,218 3.489,219 1.817,221 0.504,222 3.272,223 1,224 1,225 3.843,226 1.223,227 0.576,228 -1.243,229 -1.243,230 40.989,231 95.478,232 3.917,233 4.875,234 130,235 4.909,236 2,237 2,238 29.92,239 2.052,240 0.229,242 1.639,243 1.639,244 25,245 41.284,246 28.523,248 6.06,249 0.886,250 3.814,251 9.511,252 194.716,253 1.113,254 93,255 1.792,256 9.111,257 2.168,258 2.168,259 3.581,261 6.722,262 0.048,263 0.906,264 1.101,265 7.55,266 4.21,267 6,268 1.083,269 21,270 4.459,271 5,273 3.758,274 2.816,275 2.816,276 4.389,277 106.096,278 20.63,279 8.879}
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{0 CHEMBL1108,1 19.236,2 2,3 58.18,4 74.549,6 8.004,7 2.949,8 0.517,9 2.984,10 1.968,12 0.081,13 1.706,14 1.706,15 8,16 1,17 3.682,18 0.893,19 0.387,22 4.502,23 4.502,24 7.533,25 1,26 3.069,27 9.42,28 2,29 1.956,30 -4,31 4.552,32 5.345,33 20.142,34 8.201,35 6.503,36 5.503,37 -0.064,38 2,39 22,40 9.251,41 0.846,42 3.721,43 3.552,44 2,45 0.906,46 39.219,47 6.881,48 6.881,49 21,50 1,51 1.277,52 24.259,53 1,54 4,55 1.067,56 3.756,57 3.756,58 153.452,59 3.556,60 3.968,61 1.984,62 1.064,63 9.936,64 2.163,66 85.286,67 1.085,68 2.275,69 2.275,70 2.747,72 2.911,73 1.889,74 2.754,75 103.039,76 16,77 -0.11,78 1.174,79 6.998,80 0.67,81 2.464,82 13.391,83 1.132,84 3.998,85 3.998,86 3.998,87 4.704,88 3.928,89 9.395,90 8,91 5.833,92 3.64,93 5.348,94 18.737,95 4.464,97 8,98 13.106,99 7.594,100 3.936,101 2.857,102 15.292,103 15.292,104 15.292,105 15.292,106 15.292,107 6.926,108 19.841,109 1.037,110 1.132,111 20.978,112 0.218,113 3.857,114 9.241,115 19.068,116 19.068,117 19.068,118 19.068,119 19.068,120 16.591,121 1.857,122 0.145,123 35.056,125 -4.24,126 7.431,127 4.179,128 58.1,130 1.04,131 0.105,132 -4.3,133 3.579,134 3.833,135 3.833,136 3,137 1.19,138 1.878,139 12.943,140 3.209,141 3.209,142 1.327,144 2.903,145 1.442,146 4.072,147 1.307,148 3.684,149 4.748,150 1.115,151 1,152 13.614,153 2.146,154 2.146,155 44.889,156 1.702,157 0.223,159 1.185,160 0.136,162 3.869,163 8.265,164 4.747,165 5.022,166 1.532,167 3.737,168 1.442,169 1.442,170 1,171 0.563,172 0.563,173 17.083,174 17,175 2.275,176 2.275,177 -0.14,178 24.598,179 -0.051,180 6.973,181 1.998,182 21.136,183 19.822,184 2.527,185 0.951,186 3.86,187 1.006,188 5.841,189 3.414,190 3.322,191 3.466,192 3.466,193 31,194 4.143,195 7.867,196 7.867,197 2,198 1.5,199 1.53,200 1,201 1,202 1,204 3.441,205 1.555,206 1.908,207 3.624,208 3.374,209 1.294,210 0.543,211 1.005,212 4.408,213 1.404,214 1,215 1.048,216 2.5,217 0.991,218 3.568,219 1.805,221 0.374,222 3.44,223 1.354,224 1.354,225 3.866,226 0.894,227 0.491,228 -0.02,229 -0.02,230 46.715,231 107.736,232 3.887,233 5.004,234 148,235 4.956,236 1,237 1,238 14.96,239 1.891,240 0.698,242 1.91,243 1.91,244 28,245 47.817,246 33.478,247 2,248 6.026,249 1.075,250 3.811,251 10.423,252 215.069,253 1.181,254 128,255 1.756,256 10.367,257 2.31,258 2.31,259 3.876,261 8.438,262 0.05,263 1.103,264 0.954,265 7.007,266 4.776,267 4,268 1.048,269 15,270 4,271 7,272 0.916,273 3.685,274 2.65,275 2.65,276 5.032,277 128.606,278 18.408,279 8.588}
{0 CHEMBL1112,2 2,3 29.85,4 60.404,6 9.674,7 3.009,8 0.496,9 3.306,10 5.174,12 -0.049,13 1.907,14 1.907,15 6,17 4.061,18 0.892,19 0.364,22 4.384,23 4.384,24 9.051,25 3,26 3.61,27 13.033,28 2,29 1.928,30 -4.46,31 5.255,32 5.296,33 26.756,34 7.429,35 7.771,36 6.502,37 -0.042,38 1,39 23,40 11.675,41 0.948,42 3.807,43 3.649,44 2,45 1.012,46 24.259,47 6.744,48 6.744,49 22,50 2,51 0.86,52 24.259,54 3.5,55 1.031,56 3.93,57 3.93,58 132.024,59 3.479,60 4.102,61 1.967,62 1.213,63 9.032,64 2.058,66 56.857,67 1.003,68 2.275,69 2.275,70 2.866,72 3.062,73 1.908,74 2.859,75 85.63,76 13,77 -0.038,78 1.105,79 7.019,80 0.676,81 2.346,82 11.796,83 1.278,84 4.019,85 4.019,86 4.019,87 4.847,88 4.034,89 10.504,90 6,91 5.619,92 4.414,93 5.807,94 17.395,95 4.59,96 1,97 6,98 13.572,99 8.381,100 3.952,101 2.779,102 16.282,103 16.282,104 16.282,105 16.282,106 16.282,107 8.374,108 21.775,109 1.007,110 1.28,111 22.364,112 0.211,113 3.872,114 10.252,115 20.43,116 20.43,117 20.43,118 20.43,119 20.43,120 18.173,121 1.88,122 0.133,123 43.27,124 1,125 -4.75,126 5.039,127 4.302,128 44.81,129 1,130 1.276,131 0.093,132 -4.84,133 3.612,134 3.619,135 3.619,136 1,137 1.367,138 1.937,140 2.957,141 2.957,142 1.424,143 1,144 3.059,145 1.521,146 4.14,147 1.46,148 3.62,149 4.851,150 1.246,151 1,152 14.597,153 2.013,154 2.013,155 45.11,156 1.717,157 0.2,159 1.278,160 0.121,162 3.991,163 8.45,164 5.75,165 5.27,166 1.683,167 3.816,168 1.65,169 1.65,171 0.717,172 0.717,173 18.719,174 15,175 3.165,176 3.165,177 -0.205,178 33.015,179 0.02,180 8.529,181 2.053,182 21.398,183 20.055,184 3.061,185 0.969,186 3.869,187 0.985,188 7.068,189 3.414,190 3,191 3.526,192 3.526,193 33,194 4.205,195 7.36,196 7.36,197 2.317,198 1.568,199 1.531,200 1.238,201 1.414,202 1.414,204 3.438,205 1.533,206 1.759,207 3.748,208 3.439,209 1.376,210 0.687,211 0.785,212 4.384,213 1.738,215 0.982,216 2.564,217 1.064,218 3.688,219 1.751,221 0.313,222 3.71,223 1.414,224 1.414,225 3.825,226 0.817,227 0.525,228 0.505,229 0.505,230 48.394,231 122.555,232 3.938,233 5.056,234 156,235 4.956,239 1.928,240 0.857,242 2.066,243 2.066,244 30,245 49.647,246 38.54,247 1,248 6.212,249 1.143,250 3.774,251 11.125,252 258.964,253 1.246,254 120,255 1.691,256 10.975,257 2.376,258 2.376,259 3.974,261 9.787,262 0.034,263 0.953,264 0.973,265 6.545,266 4.88,267 6,268 1.083,269 13,270 3.807,271 5,272 0.8,273 3.621,274 2.637,275 2.637,276 5.135,277 143.207,278 18.633,279 7.739}
{0 CHEMBL1113,3 2.328,4 48.92,6 0.843,7 1.412,8 0.405,9 1.954,10 4.063,12 -0.075,13 1.032,14 1.032,15 7,17 1.298,18 0.687,19 0.48,21 1,22 4.517,23 4.517,24 1.139,26 2.732,27 7.467,28 1,29 1.9,30 -3.71,31 1.228,32 4.965,33 27.811,34 5.044,35 1.153,36 1.182,37 0.001,39 17,40 10.271,41 0.725,42 3.816,43 3.331,44 2,45 0.785,46 37.921,47 5.831,48 5.831,49 21,50 1,51 0.86,52 37.921,54 2.6,55 0.953,56 3.732,57 3.732,58 134.935,59 3.489,60 3.745,61 1.106,62 1.044,63 5.627,64 1.536,65 1,66 84.344,67 0.286,68 0.596,69 0.596,70 2.599,72 2.789,73 1.875,74 2.607,75 88.591,76 13,77 -0.037,78 1.031,79 7.144,80 0.702,81 1.649,82 13.553,83 0.998,84 4.144,85 4.144,86 4.144,87 4.607,88 3.711,89 7.358,90 7,91 5.503,92 0.529,93 4.409,94 18.194,95 4.308,97 7,98 10.15,99 5.909,100 3.798,101 2.624,102 12.397,103 12.397,104 12.397,105 12.397,106 12.397,107 0.775,108 15.808,109 0.694,110 0.969,111 17.394,112 0.24,113 3.747,114 7.209,115 15.292,116 15.292,117 15.292,118 15.292,119 15.292,120 13.259,121 1.851,122 0.181,123 8.423,125 -3.92,126 4.821,127 4.107,128 41.3,130 1.359,131 0.127,132 -3.96,133 3.239,134 3.503,135 3.503,136 1,137 0.622,138 1.427,140 3.118,141 3.118,142 1.094,144 2.435,145 1.228,146 3.854,147 1.11,148 3.575,149 4.418,150 0.423,152 10.81,153 -0.103,154 -0.103,155 34.797,156 1.656,157 0.269,159 1.066,160 0.165,162 3.951,163 7.67,164 0.62,165 4.792,166 0.344,167 3.831,168 -1.367,169 -1.367,170 1,171 -0.542,172 -0.542,173 13.644,174 14.5,175 2.048,176 2.048,177 -0.191,178 28.593,179 0.018,180 7.512,181 1.973,182 21.511,183 20.146,184 0.43,185 0.861,186 3.739,187 1.033,188 0.701,189 2.991,190 3,191 3.258,192 3.258,193 25,194 3.932,195 7.954,196 7.954,197 1.742,198 1,199 1.113,200 0.749,201 0.791,202 0.791,204 3.085,205 1.523,206 1.053,207 3.316,208 3.149,209 1.074,210 -0.397,211 0.719,212 4.134,213 0.325,215 0.91,216 2,217 0.767,218 3.349,219 1.712,221 0.441,222 3.247,223 1,224 1,225 3.806,226 1.112,227 0.702,228 -1.743,229 -1.743,230 37.719,231 87.304,232 3.829,233 4.796,234 120,235 4.736,239 1.878,240 0.079,242 1.447,243 1.447,244 22,245 37.95,246 26.659,248 6.103,249 0.825,250 3.759,251 8.119,252 176.567,253 1.02,254 58,255 1.641,256 8.362,257 2.098,258 2.098,259 3.832,260 1,261 9.612,262 0.029,263 1.313,264 1.302,265 5.778,266 4.568,267 5,268 1.227,269 13,270 3.807,272 0.521,273 3.567,274 2.173,275 2.173,276 4.749,277 94.107,278 18.705,279 8.781}
{0 CHEMBL1123,3 32.336,4 39.269,6 13.391,7 3.851,8 1.923,9 4.174,12 0.123,13 2.443,14 2.443,17 5.487,18 1.942,22 4.647,23 4.647,24 12.512,26 3.779,27 14.284,28 2,29 1.953,30 -4.6,31 7.208,32 4.683,33 25.363,34 7.431,35 10.734,36 8.963,37 -0.013,39 19,40 13.615,41 1.064,42 3.891,43 3.454,45 1.153,46 3.124,47 4.553,48 4.553,49 12,51 0.8,52 3.124,54 3.5,55 1.493,56 2.463,57 2.463,58 64.221,59 3.184,60 3.986,61 1.02,62 1.204,63 7.058,64 1.18,67 0.074,68 0.111,69 0.111,70 2.91,71 17.65,72 3.111,73 1.763,74 2.941,75 7.191,76 1,77 0.065,78 1.224,79 5.738,80 0.594,81 2.485,83 1.429,84 3.738,85 3.738,86 3.738,87 5.095,88 3.848,89 9.543,91 6.112,92 6.159,93 4.07,94 22.8,95 4.787,98 10.409,99 7.738,100 3.752,101 2.241,102 11.172,103 11.172,104 11.172,105 11.172,106 11.172,107 11.599,108 17,109 1.123,110 1.376,111 15.079,112 0.258,113 3.62,114 9.289,115 15.137,116 15.137,117 15.137,118 15.137,119 15.137,120 14.372,121 1.703,122 0.202,123 36.255,125 -4.91,126 4.491,127 3.455,128 29.54,130 2.508,131 0.156,132 -5.01,133 3.441,134 4.112,135 4.112,136 1,137 0.168,138 1.141,140 2.342,141 2.342,142 1.429,144 2.154,145 1,146 3.808,147 1.513,148 3.542,149 4.387,152 10.726,153 -0.943,154 -0.943,155 31.955,156 1.649,157 0.345,159 1.383,160 0.2,162 4.043,163 7.628,164 7.992,165 3.755,166 0.377,167 3.832,168 -1.116,169 -1.116,170 1,171 -0.605,172 -0.605,173 15.02,174 1.5,175 0.791,176 0.791,177 -0.158,178 29.084,179 -0.013,180 8.901,181 1.957,182 19.782,183 18.466,184 4.273,185 1.377,186 3.601,187 0.889,188 9.802,189 2.701,190 1,191 3.178,192 3.178,193 23,194 3.85,195 6.187,196 6.187,197 1.591,198 0.618,199 1.332,200 0.6,201 0.618,202 0.618,204 3.229,205 1.476,206 0.973,207 3.817,208 3.147,209 1.376,210 -0.59,211 2.035,212 4.061,213 2.283,215 0.949,216 1.618,217 1.064,218 3.543,219 1.701,221 0.651,222 2.792,223 0.9,224 0.9,225 3.797,226 1.751,227 0.574,228 -1.926,229 -1.926,230 32.999,231 91.782,232 3.609,233 4.673,234 106,235 4.466,239 1.936,241 2,242 1.184,243 1.184,244 22,245 35.569,246 33.859,248 5.467,249 1.153,250 3.73,251 8.309,252 341.362,253 1.513,254 76,255 1.625,256 7.588,257 1.856,258 1.856,259 3.989,261 9.893,262 0.05,263 1.258,264 0.93,265 1.638,266 5.113,268 0.955,269 1,270 1,271 8,272 0.286,273 3.538,274 1.538,275 1.538,276 5.413,277 86.107,278 17.148,279 6.62}
{0 CHEMBL113956,1 34.196,2 1,3 25.145,4 60.404,6 7.96,7 2.66,8 0.756,9 2.972,10 3.571,12 0.018,13 1.701,14 1.701,15 12,16 2,17 3.43,18 0.524,19 0.439,22 4.276,23 4.276,24 7.458,25 1,26 4.891,27 23.922,28 2,29 1.988,30 -5.55,31 4.369,32 5.348,33 41.983,34 8.203,35 6.41,36 5.375,37 0.001,38 2,39 31,40 19.267,41 1.116,42 4.354,43 3.875,44 3,45 1.173,46 54.18,47 6.859,48 6.859,49 24,50 2,51 0.86,52 24.259,53 1,54 2.7,55 1.177,56 3.636,57 3.636,58 208.948,59 3.631,60 4.297,61 2.074,62 1.228,63 9.36,64 2.5,65 1,66 113.715,67 1.5,68 2.288,69 2.288,70 3.047,71 8.825,72 3.221,73 1.917,74 3.039,75 151.033,76 19,77 -0.092,78 2.361,79 6.807,80 0.647,81 2.283,82 21.174,83 1.429,84 3.807,85 3.807,86 3.807,87 5.409,88 4.232,89 13.315,90 12,91 5.678,92 3.613,93 7.384,94 16.928,95 5.168,97 12,98 17.783,99 10.765,100 3.937,101 2.65,102 20.19,103 20.19,104 20.19,105 20.19,106 20.19,107 6.887,108 27.312,109 2.32,110 1.403,111 27.622,112 0.19,113 3.862,114 13.053,115 25.938,116 25.938,117 25.938,118 25.938,119 25.938,120 22.296,121 1.892,122 0.104,123 45.965,125 -5.97,126 8.2,127 4.04,128 44.81,130 1.844,131 0.074,132 -6.12,133 3.824,134 3.678,135 3.678,136 1,137 2.267,138 2.132,139 26.959,140 3.535,141 3.535,142 1.663,144 3.228,145 1.759,146 4.364,147 1.688,148 3.75,149 5.192,150 2.105,152 18.512,153 2.275,154 2.275,155 56.881,156 1.782,157 0.159,159 1.282,160 0.098,162 4.448,163 9.155,164 4.718,165 5.313,166 2,167 4.296,168 2.275,169 2.275,170 1,171 1,172 1,173 23.581,174 20,175 3.409,176 3.409,177 -0.12,178 47.662,179 -0.007,180 14.489,181 2.034,182 20.657,183 19.456,184 2.498,185 1.064,186 3.859,187 0.966,188 5.808,189 3.414,190 3.459,191 3.738,192 3.738,193 41,194 4.419,195 7.385,196 7.385,197 2.356,198 1.502,199 1.723,200 1.335,201 1.389,202 1.389,204 3.665,205 1.487,206 1.706,207 4.311,208 3.667,209 1.641,210 1,211 0.576,212 4.613,213 1.404,214 1,215 1.011,216 2.504,217 1.334,218 3.911,219 1.812,221 0.248,222 4.021,223 1.606,224 1.606,225 3.912,226 0.935,227 0.518,228 2.275,229 2.275,230 59.758,231 148.107,232 3.87,233 5.252,234 190,235 5.168,236 2,237 2,238 29.92,239 1.965,240 1.967,241 1,242 2.289,243 2.289,244 38,245 61.214,246 48.506,247 2,248 6.029,249 1.412,250 3.85,251 14.161,252 371.282,253 1.513,254 270,255 1.787,256 13.113,257 2.501,258 2.501,259 4.332,261 15.862,262 0.03,263 1.471,264 0.865,265 8.752,266 5.332,267 6,268 1.005,269 19,270 4.322,271 1,272 0.8,273 3.751,274 2.96,275 2.96,276 5.609,277 169.421,278 18.035,279 6.636}
{0 CHEMBL114012,3 44.313,4 48.956,6 0.035,7 0.413,8 0.517,9 1.2,10 0.462,12 0.263,13 0.8,14 0.8,15 7,17 0.246,18 1.853,19 0.355,22 4.995,23 4.995,24 0.043,26 3.581,27 12.823,28 2,29 2.036,30 -4.43,31 0.157,32 5.411,33 44.702,34 7.715,35 0.067,36 0.102,37 0.05,39 23,40 22.446,41 1.064,42 4.324,43 3.664,44 2,45 1.153,46 4.643,47 7.123,48 7.123,49 22,51 0.4,52 4.643,54 3.3,55 1.303,56 4.17,57 4.17,58 110.128,59 3.583,60 4.193,61 1.984,62 1.313,63 2.4,64 2.178,66 72.141,67 1.036,68 2.275,69 2.275,70 2.91,71 8.825,72 3.111,73 1.894,74 2.941,75 73.03,76 10,77 -0.008,78 1.835,79 7.879,80 0.65,81 0.824,82 13.418,83 1.429,84 4.879,85 4.879,86 4.879,87 5.451,88 4.078,89 10.816,90 7,91 6.749,92 0.188,93 5.302,94 22.801,95 5.171,97 7,98 12.492,99 8.634,100 3.928,101 2.856,102 15.305,103 15.305,104 15.305,105 15.305,106 15.305,107 0.054,108 21.092,109 1.843,110 1.376,111 20.86,112 0.219,113 3.827,114 10.433,115 18.963,116 18.963,117 18.963,118 18.963,119 18.963,120 18.591,121 1.844,122 0.161,123 23.63,125 -4.72,126 6.999,127 4.33,128 40.62,130 1.874,131 0.116,132 -4.81,133 3.639,134 4.749,135 4.749,137 1.043,138 1.706,140 2.741,141 2.741,142 1.479,144 2.712,145 1.473,146 4.072,147 1.513,148 3.71,149 4.74,150 1,151 2,152 13.554,153 1.737,154 1.737,155 45.08,156 1.714,157 0.251,159 1.426,160 0.146,162 4.25,163 8.327,164 0.125,165 5.005,166 1.669,167 4.103,168 1.607,169 1.607,170 3,171 0.685,172 0.685,173 17.436,174 13,175 2.726,176 2.726,177 -0.173,178 41.356,179 0.079,180 16.496,181 2.075,182 23.864,183 22.297,184 0.268,185 1.111,186 3.798,187 0.984,188 0.082,189 3.414,190 3.087,191 3.466,192 3.466,193 31,194 4.143,195 7.856,196 7.856,197 2.095,198 1.244,199 1.554,200 1.085,201 1.131,202 1.131,204 3.509,205 1.526,206 1.498,207 4.263,208 3.375,209 1.433,210 0.673,211 1.973,212 4.417,213 0.325,215 0.861,216 2.284,217 1.102,218 3.749,219 1.831,221 0.458,222 3.575,223 1.267,224 1.267,225 3.904,226 1.424,227 0.612,228 -0.19,229 -0.19,230 46.459,231 116.243,232 3.943,233 5.017,234 150,235 4.94,239 2.102,240 0.545,241 1,242 1.718,243 1.718,244 28,245 47.753,246 38.989,248 6.472,249 1.195,250 3.857,251 10.739,252 258.964,253 1.43,254 126,255 1.779,256 10.476,257 2.441,258 2.441,259 4.15,261 15.827,262 0.049,263 1.04,264 1.132,265 4.936,266 5.08,267 1,268 0.968,269 13,270 3.807,271 7,273 3.734,274 2.427,275 2.427,276 5.323,277 126.606,278 20.724,279 5.5}
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{0 CHEMBL1221,1 11.771,3 48.946,4 18.685,7 5.731,8 0.566,9 7.04,10 4.391,12 -0.085,13 3.52,14 3.52,15 7,17 8.244,18 0.729,19 0.654,20 2.06,22 4.322,23 4.322,24 18.311,26 5.249,27 27.556,29 1.736,30 -5.85,31 10.761,32 5.136,33 24.561,34 5.022,35 15.794,36 13.277,37 0.107,39 18,40 9.744,41 0.821,42 3.924,43 3.414,44 2,45 0.868,46 18.685,47 6.272,48 6.272,49 17,50 3,51 0.57,52 18.685,55 0.737,56 3.614,57 3.614,58 131.61,59 3.459,60 3.904,61 1.456,62 0.926,63 8.18,64 1.764,66 75.381,67 0.676,68 1.372,69 1.372,70 2.629,72 2.767,73 1.883,74 2.655,75 92.254,76 15,77 -0.122,78 1.021,79 6.93,80 0.778,81 3.274,82 19.162,83 1.06,84 3.93,85 3.93,86 3.93,87 4.607,88 3.785,89 7.52,90 10,91 6.51,93 4.643,94 16.813,95 4.404,97 7,98 10.068,99 5.86,100 3.894,101 2.506,102 12.837,103 12.837,104 12.837,105 12.837,106 12.837,108 16.946,109 0.854,110 1.016,111 17.394,112 0.24,113 3.846,114 7.131,115 16.154,116 16.154,117 16.154,118 16.154,119 16.154,120 13.775,121 1.863,122 0.166,123 3.005,125 -6.31,126 4.948,127 4.012,128 17.82,130 1.023,131 0.116,132 -6.48,133 3.359,134 4.51,135 4.51,137 0.796,138 1.399,140 3.483,141 3.483,142 1.107,144 2.607,145 1,146 3.908,147 1.181,148 3.703,149 4.522,150 0.532,152 11.614,153 -0.115,154 -0.115,155 33.871,156 1.674,157 0.249,159 1.128,160 0.152,162 3.961,163 7.891,165 4.89,166 0.679,167 3.812,168 -0.372,169 -0.372,170 1,171 -0.163,172 -0.163,173 13.952,174 16,175 1.401,176 1.401,177 -0.124,178 24.666,179 0.105,180 7.72,181 1.966,182 20.883,183 19.607,185 0.764,186 3.835,187 0.982,189 3,190 3.248,191 3.296,192 3.296,193 26,194 3.97,195 7.134,196 7.134,197 1.554,198 0.927,199 1.261,200 0.577,201 0.618,202 0.618,203 4.118,204 3.273,205 1.585,206 1.485,207 3.799,208 3.228,209 1.062,210 -0.118,211 0.69,212 4.069,215 0.933,216 2.118,217 0.824,218 3.492,219 1.591,220 32.22,221 0.386,222 3.112,223 1,224 1,225 3.883,226 0.873,227 0.547,228 -1.242,229 -1.242,230 38.527,231 104.437,232 4.006,233 4.812,234 122,235 4.773,239 1.913,240 0.162,242 1.77,243 1.77,244 24,245 38.751,246 30.324,248 5.474,249 0.886,250 3.85,251 8.802,252 176.567,253 1.098,254 94,255 1.535,256 8.295,257 2.263,258 2.263,259 3.732,261 8.457,262 0.04,263 1.167,264 0.939,265 5.67,266 4.453,267 5,268 1.033,269 17,270 4.17,271 3,273 3.68,274 2.702,275 2.702,276 4.623,277 106.039,278 18.2,279 5.678}
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{0 CHEMBL1222626,1 11.771,2 2,3 102.379,4 92.762,6 12.755,7 3.656,8 0.63,9 3.925,10 3.623,12 0.052,13 2.341,14 2.341,15 4,17 5.205,18 0.649,19 0.355,20 2.23,22 4.511,23 4.511,24 11.912,25 1,26 2.4,27 5.759,28 2,29 1.91,30 -3.43,31 6.849,32 5.811,33 25.69,34 7.474,35 10.216,36 8.526,37 0.013,39 21,40 11.906,41 0.973,42 3.918,43 3.556,44 1,45 0.981,46 24.933,47 7.948,48 7.948,49 24,51 0.8,52 24.933,54 3.9,55 1.136,56 3.699,57 3.699,58 118.373,59 3.713,60 3.997,61 1.967,62 1.192,63 8.925,64 2.219,65 1,66 56.429,67 1,68 2.275,69 2.275,70 2.896,72 3.078,73 1.918,74 2.839,75 54.233,76 12,77 -0.048,78 1.313,79 7.129,80 0.658,81 2.487,82 12.491,83 1.278,84 4.129,85 4.129,86 4.129,87 4.942,88 3.95,89 9.587,90 6,91 5.745,92 5.89,93 5.139,94 18.175,95 4.651,97 4,98 12.684,99 7.682,100 3.949,101 2.959,102 15.336,103 15.336,104 15.336,105 15.336,106 15.336,107 11.051,108 19.755,109 1.06,110 1.298,111 21.383,112 0.216,113 3.82,114 9.427,115 18.602,116 18.602,117 18.602,118 18.602,119 18.602,120 17.415,121 1.876,122 0.146,123 15.598,125 -3.6,126 6.351,127 4.099,128 61.6,130 0.98,131 0.103,132 -3.63,133 3.696,134 3.745,135 3.745,136 2,137 1.305,138 1.746,140 3.176,141 3.176,142 1.348,144 2.775,145 1.445,146 4.052,147 1.372,148 3.66,149 4.703,150 1,151 2,152 13.187,153 1.861,154 1.861,155 44.823,156 1.7,157 0.217,159 1.25,160 0.133,162 4.089,163 8.194,164 7.625,165 5.706,166 1.52,167 3.956,168 1.456,169 1.456,170 1,171 0.543,172 0.543,173 16.926,174 13,175 2.572,176 2.572,177 -0.27,178 29.029,179 0.105,180 7.988,181 2.02,182 21.461,183 20.092,184 4.122,185 0.993,186 3.82,187 0.996,188 9.342,189 3.414,190 3.087,191 3.466,192 3.466,193 31,194 4.143,195 8.908,196 8.908,197 2.042,198 1.546,199 1.475,200 1.032,201 1.108,202 1.108,203 4.641,204 3.518,205 1.534,206 1.578,207 3.651,208 3.341,209 1.376,210 0.526,211 0.431,212 4.432,213 2.321,215 0.881,216 2.548,217 1.064,218 3.576,219 1.732,221 0.354,222 3.576,223 1.263,224 1.263,225 3.817,226 0.961,227 0.659,228 0.082,229 0.082,230 47.553,231 105.117,232 3.854,233 5.03,234 152,235 4.954,239 1.914,240 1,242 1.802,243 1.802,244 27,245 47.802,246 33.546,247 1,248 6.327,249 1.143,250 3.774,251 10.035,252 223.651,253 1.169,254 115,255 1.676,256 10.757,257 2.568,258 2.568,259 4.043,261 10.234,262 0.035,263 1.272,264 1.182,265 6.08,266 4.926,267 3,268 1.022,269 13,270 3.807,271 5,272 0.8,273 3.646,274 2.666,275 2.666,276 5.192,277 122.382,278 18.672,279 6.1}
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{0 CHEMBL1242923,2 1,3 59.699,4 85.549,6 11.255,7 3.893,8 0.424,9 3.661,10 2.699,12 0.023,13 2.055,14 2.055,15 9,17 5.13,18 1.185,19 0.364,22 4.377,23 4.377,24 10.596,25 3,26 2.423,27 5.871,28 3,29 2.007,30 -3.45,31 6.454,32 5.424,33 28.183,34 7.43,35 9.2,36 7.816,37 -0.075,38 2,39 24,40 14.965,41 0.96,42 3.981,43 3.651,44 2,45 1.044,46 24.259,47 7.183,48 7.183,49 22,51 1.987,52 24.259,54 5.1,55 1.189,56 3.477,57 3.477,58 153.294,59 3.544,60 4.08,61 2,62 1.159,63 13.218,64 2.467,66 85.286,67 1.453,68 2.275,69 2.275,70 2.858,72 3.076,73 1.915,74 2.852,75 105.881,76 14,77 -0.009,78 1.383,79 6.908,80 0.649,81 2.905,82 17.57,83 1.329,84 3.908,85 3.908,86 3.908,87 5.048,88 4.02,89 10.63,90 9,91 5.806,92 5.448,93 5.994,94 17.858,95 4.816,96 1,97 9,98 14.159,99 8.592,100 3.929,101 2.677,102 16.331,103 16.331,104 16.331,105 16.331,106 16.331,107 9.825,108 21.789,109 1.355,110 1.31,111 22.652,112 0.21,113 3.846,114 10.439,115 20.637,116 20.637,117 20.637,118 20.637,119 20.637,120 18.148,121 1.889,122 0.133,123 44.288,125 -3.62,126 7.426,127 3.975,128 61.88,130 1.6,131 0.095,132 -3.65,133 3.603,134 3.806,135 3.806,136 2,137 1.615,138 1.889,140 2.932,141 2.932,142 1.429,144 2.899,145 1.41,146 4.141,147 1.513,148 3.709,149 4.862,150 1.215,151 2,152 14.687,153 2.136,154 2.136,155 46.686,156 1.72,157 0.202,159 1.224,160 0.123,162 4.016,163 8.465,164 6.932,165 5.181,166 1.768,167 3.875,168 1.927,169 1.927,170 1,171 0.818,172 0.818,173 18.874,174 16,175 2.907,176 2.907,177 -0.197,178 29.954,179 -0.031,180 10.649,181 2.032,182 20.592,183 19.327,184 3.907,185 1.05,186 3.846,187 0.973,188 8.387,189 3.414,190 3.17,191 3.526,192 3.526,193 33,194 4.205,195 7.23,196 7.23,197 2.265,198 1.5,199 1.527,200 1.258,201 1.282,202 1.282,204 3.443,205 1.516,206 1.939,207 4.015,208 3.439,209 1.376,210 0.772,211 1.387,212 4.425,213 2.262,215 1.005,216 2.5,217 1.064,218 3.682,219 1.837,221 0.325,222 3.571,223 1.392,224 1.392,225 3.907,226 0.874,227 0.523,228 0.854,229 0.854,230 48.435,231 116.523,232 3.858,233 5.043,234 154,235 4.963,239 1.892,240 1.043,242 1.892,243 1.892,244 30,245 49.021,246 38.279,247 1,248 5.612,249 1.153,250 3.853,251 11.181,252 258.964,253 1.352,254 140,255 1.776,256 10.554,257 2.338,258 2.338,259 3.995,261 10.124,262 0.038,263 1.124,264 0.875,265 6.968,266 4.991,267 3,268 0.924,269 14,270 3.907,271 5,272 0.933,273 3.709,274 2.553,275 2.553,276 5.264,277 139.207,278 17.9,279 6}
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{0 CHEMBL1271985,2 1,3 63.421,4 82.975,6 0.068,7 1.488,8 0.551,9 2.117,10 6.326,12 0.072,13 1.058,14 1.058,15 3,17 1.47,18 0.876,19 0.364,21 1,22 4.384,23 4.384,24 1.706,25 1,26 2.906,27 8.448,28 1,29 1.914,30 -3.86,31 1.501,32 5.629,33 26.554,34 7.429,35 1.626,36 1.556,37 -0.039,38 1,39 24,40 13.577,41 1.083,42 3.975,43 3.675,44 1,45 1.166,46 57.83,47 7.36,48 7.36,49 21,51 0.8,52 57.83,54 1.6,55 1.254,56 3.949,57 3.949,58 164.123,59 3.69,60 4.086,61 2.067,62 1.102,63 5.317,64 2.351,65 1,66 37.905,67 1.288,68 2.568,69 2.568,70 2.951,71 26.476,72 3.144,73 1.827,74 2.971,75 54.862,76 11,77 0.013,78 1.466,79 7.019,80 0.637,81 1.641,82 8.35,83 1.429,84 4.019,85 4.019,86 4.019,87 5.028,88 4.007,89 11.059,90 4,91 5.567,92 0.346,93 5.63,94 17.395,95 4.743,96 1,97 4,98 14.04,99 8.867,100 3.971,101 2.936,102 16.26,103 16.26,104 16.26,105 16.26,106 16.26,107 0.104,108 22.166,109 1.183,110 1.392,111 22.076,112 0.213,113 3.865,114 10.69,115 20.223,116 20.223,117 20.223,118 20.223,119 20.223,120 18.575,121 1.787,122 0.133,123 38.249,124 1,125 -4.08,126 4.942,127 4.337,128 61.36,130 1.636,131 0.093,132 -4.14,133 3.722,134 3.567,135 3.567,136 1,137 1.322,138 2.098,140 3.147,141 3.147,142 1.46,143 1,144 3.165,145 1.482,146 4.126,147 1.523,148 3.633,149 4.839,150 1,151 1,152 14.508,153 2.275,154 2.275,155 47.195,156 1.719,157 0.2,159 1.206,160 0.123,162 4.166,163 8.464,164 0.237,165 5.296,166 1.367,167 3.977,168 0.872,169 0.872,170 1,171 0.389,172 0.389,173 18.575,174 14,175 3.17,176 3.17,177 -0.258,178 35.951,179 -0.075,180 8.906,181 1.984,182 21.44,183 20.096,184 0.479,185 1.12,186 3.871,187 0.972,188 0.158,189 3.491,190 3,191 3.526,192 3.526,193 33,194 4.205,195 8.399,196 8.399,197 2.367,198 1.682,199 1.478,200 1.344,201 1.41,202 1.41,203 8.948,204 3.588,205 1.53,206 1.787,207 3.834,208 3.439,209 1.418,210 0.377,211 0.941,212 4.463,213 0.57,215 1.068,216 2.665,217 1.141,218 3.723,219 1.754,221 0.313,222 3.847,223 1.414,224 1.414,225 3.854,226 1.182,227 0.601,228 0.302,229 0.302,230 49.192,231 119.457,232 3.911,233 5.069,234 158,235 4.97,239 1.926,240 0.712,241 3,242 2.203,243 2.203,244 30,245 50.486,246 40.143,247 1,248 6.298,249 1.212,250 3.792,251 11.17,252 355.461,253 1.513,254 110,255 1.686,256 10.609,257 2.57,258 2.57,259 4.121,261 11.123,262 0.042,263 1.42,264 0.778,265 6.243,266 5.146,267 6,268 1.11,269 13,270 3.807,271 2,272 0.8,273 3.631,274 2.762,275 2.762,276 5.434,277 139.207,278 18.676,279 6.592}
{0 CHEMBL1272040,3 63.421,4 93.975,6 0.068,7 1.709,8 0.792,9 2.117,10 6.073,12 0.002,13 1.058,14 1.058,15 3,17 1.641,18 0.908,19 0.375,21 1,22 4.472,23 4.472,24 1.749,25 1,26 2.204,27 4.859,28 2,29 1.914,30 -3.26,31 1.626,32 5.555,33 29.878,34 7.429,35 1.689,36 1.645,37 0.037,38 1,39 23,40 14.639,41 1.088,42 3.976,43 3.634,44 1,45 1.176,46 57.83,47 6.978,48 6.978,49 18,51 0.86,52 57.83,54 3.2,55 1.352,56 4.019,57 4.019,58 174.529,59 3.512,60 4.037,61 1.967,62 1.102,63 7.037,64 2,65 1,66 28.429,67 1,68 2.275,69 2.275,70 2.952,71 46.184,72 3.168,73 1.829,74 2.971,75 61.512,76 11,77 0.071,78 1.394,79 7.156,80 0.629,81 1.893,82 6.532,83 1.47,84 4.156,85 4.156,86 4.156,87 5.149,88 3.982,89 10.447,90 3,91 5.62,92 0.346,93 5.404,94 17.679,95 4.847,96 2,97 3,98 13.776,99 8.369,100 3.922,101 2.982,102 15.661,103 15.661,104 15.661,105 15.661,106 15.661,107 0.104,108 21.683,109 1.205,110 1.418,111 20.69,112 0.22,113 3.762,114 9.993,115 19.991,116 19.991,117 19.991,118 19.991,119 19.991,120 17.267,121 1.794,122 0.14,123 33.18,124 1,125 -3.41,126 4.989,127 4.384,128 70.59,130 1.644,131 0.097,132 -3.43,133 3.578,134 3.62,135 3.62,136 1,137 1.322,138 1.958,140 3.018,141 3.018,142 1.485,143 1,144 3.042,145 1.414,146 4.119,147 1.562,148 3.614,149 4.82,150 1,151 1,152 14.401,153 1.577,154 1.577,155 44.834,156 1.72,157 0.208,159 1.206,160 0.127,162 4.142,163 8.469,164 0.237,165 5.296,166 1.348,167 3.958,168 0.812,169 0.812,170 1,171 0.375,172 0.375,173 18.238,174 14.5,175 2.777,176 2.777,177 -0.337,178 33.795,179 -0.15,180 9.396,181 1.991,182 21.839,183 20.453,184 0.479,185 1.171,186 3.791,187 0.944,188 0.158,189 3.414,190 3,191 3.497,192 3.497,193 32,194 4.174,195 7.361,196 7.361,197 2.196,198 1.349,199 1.479,200 1.177,201 1.231,202 1.231,203 8.516,204 3.385,205 1.517,206 1.713,207 3.853,208 3.439,209 1.455,210 0.361,211 1.011,212 4.397,213 0.57,215 1.133,216 2.382,217 1.141,218 3.671,219 1.754,221 0.331,222 3.6,223 1.414,224 1.414,225 3.845,226 0.96,227 0.646,228 0.298,229 0.298,230 47.15,231 118.521,232 3.89,233 5.03,234 152,235 4.934,239 1.926,240 0.697,241 4,242 2.114,243 2.114,244 30,245 49.609,246 39.597,247 1,248 6.588,249 1.214,250 3.781,251 11.124,252 355.461,253 1.532,254 110,255 1.686,256 10.72,257 2.367,258 2.367,259 4.129,261 10.778,262 0.051,263 1.25,264 0.955,265 6.852,266 5.208,267 7,268 0.94,269 13,270 3.807,271 2,272 0.8,273 3.61,274 2.758,275 2.758,276 5.508,277 141.207,278 19.016,279 6.128}
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{0 CHEMBL131482,1 39.248,3 29.85,4 34.518,6 17.098,7 5.738,8 0.486,9 6.971,10 1.09,12 -0.001,13 3.508,14 3.508,15 3,16 1,17 8.195,18 0.973,19 0.286,22 4.651,23 4.651,24 18.177,26 3.921,27 15.372,28 1,29 1.881,30 -4.72,31 10.685,32 5.786,33 34.39,34 8.201,35 15.679,36 13.181,37 0.037,38 1,39 24,40 15.065,41 1.064,42 4.048,43 3.746,44 1,45 1.153,46 24.333,47 7.936,48 7.936,49 25,50 1,51 1.744,52 9.373,54 1.6,55 1.002,56 3.766,57 3.766,58 102.019,59 3.565,60 4.312,61 2.102,62 1.211,63 15.137,64 2.316,66 36.078,67 1.308,68 2.838,69 2.838,70 2.91,71 8.825,72 3.111,73 1.797,74 2.941,75 59.103,76 9,77 -0.035,78 1.67,79 7.515,80 0.669,81 3.508,82 7.285,83 1.429,84 4.515,85 4.515,86 4.515,87 5.122,88 4.189,89 11.715,90 4,91 7.03,92 6.418,93 5.728,94 22.172,95 4.838,97 3,98 13.652,99 9.213,100 3.968,101 2.999,102 17.23,103 17.23,104 17.23,105 17.23,106 17.23,107 14.458,108 23.297,109 1.56,110 1.376,111 23.75,112 0.205,113 3.896,114 11.305,115 21.145,116 21.145,117 21.145,118 21.145,119 21.145,120 20.671,121 1.734,122 0.133,123 30.966,124 1,125 -5.04,126 7.426,127 4.58,128 26.79,130 1.675,131 0.102,132 -5.15,133 3.651,134 5.03,135 5.03,136 1,137 1.799,138 1.841,139 13.469,140 3.204,141 3.204,142 1.498,143 1,144 2.944,145 1.532,146 4.179,147 1.513,148 3.644,149 4.889,150 1.618,152 15.055,153 2.275,154 2.275,155 49.49,156 1.727,157 0.22,159 1.241,160 0.129,162 4.228,163 8.554,164 9.11,165 5.321,166 1.651,167 3.991,168 1.597,169 1.597,170 1,171 0.681,172 0.681,173 19.896,174 10,175 3.193,176 3.193,177 -0.137,178 40.964,179 -0.097,180 11.689,181 1.963,182 22.678,183 21.194,184 3.846,185 1.024,186 3.861,187 0.98,188 11.796,189 3.642,190 2.807,191 3.584,192 3.584,193 35,194 4.263,195 8.645,196 8.645,197 2.275,198 1.505,199 1.578,200 1.238,201 1.323,202 1.323,204 3.485,205 1.594,206 1.652,207 3.968,208 3.471,209 1.463,210 0.649,211 0.98,212 4.499,213 1.803,215 1.066,216 2.507,217 1.316,218 3.832,219 1.677,220 63.497,221 0.407,222 4.025,223 1.503,224 1.503,225 3.88,226 1.098,227 0.479,228 1.464,229 1.464,230 53.447,231 130.6,232 4.107,233 5.153,234 172,235 5.034,236 1,237 1,238 14.96,239 1.907,240 1.454,241 1,242 2.034,243 2.034,244 31,245 55.257,246 42.125,248 6.712,249 1.347,250 3.814,251 11.64,252 262.153,253 1.49,254 137,255 1.625,256 12.288,257 2.563,258 2.563,259 4.135,261 13.604,262 0.06,263 1.094,264 0.821,265 4.621,266 5.128,267 2,268 1.063,269 11,270 3.585,271 4,272 0.8,273 3.642,274 2.586,275 2.586,276 5.42,277 145.58,278 19.692,279 8.248}
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{0 CHEMBL1317,4 36.022,6 0.035,7 0.379,8 1.118,9 1.2,10 5.577,12 -0.062,13 0.8,14 0.8,15 8,17 0.239,18 0.741,19 0.571,22 4.455,23 4.455,24 0.043,25 1,26 3.406,27 11.603,29 1.87,30 -4.29,31 0.156,32 4.247,33 14.306,34 5.008,35 0.066,36 0.102,37 -0.062,39 17,40 7.491,41 0.722,42 3.505,43 3.265,44 2,45 0.794,46 36.022,47 3.625,48 3.625,49 15,52 36.022,55 0.997,56 3.665,57 3.665,58 135.531,59 3.126,60 3.726,61 0.804,62 1.078,63 1.6,64 1.101,66 75.81,67 -0.223,68 -0.457,69 -0.457,70 2.588,72 2.701,73 1.913,74 2.604,75 87.695,76 12,77 0.004,78 0.974,79 7.02,80 0.663,81 0.673,82 17.478,83 1.018,84 4.02,85 4.02,86 4.02,87 4.502,88 3.63,89 6.994,90 8,91 5.427,92 0.188,93 3.881,94 18.569,95 4.13,96 1,97 8,98 9.258,99 5.68,100 3.796,101 2.621,102 10.368,103 10.368,104 10.368,105 10.368,106 10.368,107 0.054,108 14.045,109 0.64,110 0.972,111 14.504,112 0.263,113 3.748,114 6.839,115 13.405,116 13.405,117 13.405,118 13.405,119 13.405,120 11.737,121 1.885,122 0.212,123 44.712,125 -4.56,126 4.812,127 4.045,128 29.26,130 1.59,131 0.152,132 -4.64,133 3.346,134 3.427,135 3.427,137 0.468,138 1.414,140 2.488,141 2.488,142 1.083,143 1,144 2.414,145 0.815,146 3.7,147 1.123,148 3.439,149 4.207,150 -0.107,152 9.398,153 -1.63,154 -1.63,155 29.758,156 1.614,157 0.324,159 1.251,160 0.198,162 3.848,163 7.24,164 0.125,165 3.941,166 0.155,167 3.628,168 -2.042,169 -2.042,171 -0.838,172 -0.838,173 11.952,174 12.5,177 0.019,178 20.261,179 -0.136,180 4.869,181 2.01,182 21.071,183 19.746,184 0.268,185 0.966,186 3.74,187 1.014,188 0.082,189 2.332,190 2.807,191 3.091,192 3.091,193 21,194 3.761,195 6.346,196 6.346,197 0.957,199 1.311,204 3.21,205 1.447,206 0.682,207 2.878,208 3.013,209 1.043,210 -0.83,211 0.69,212 4.001,213 0.325,215 1.14,216 1.102,217 0.73,218 3.326,219 1.608,221 0.534,222 2.555,223 0.603,224 0.603,225 3.701,226 0.885,227 1.229,228 -2.133,229 -2.133,230 30.613,231 80.536,232 3.728,233 4.595,234 98,235 4.533,239 1.904,240 -0.341,241 1,242 1.414,243 1.414,244 19,245 31.8,246 25.864,248 6.074,249 0.819,250 3.62,251 7.025,252 188.338,253 1.094,254 56,255 1.534,256 6.835,257 1.585,258 1.585,259 3.832,260 1,261 7.866,262 0.038,263 2.159,264 1.08,265 4.605,266 4.685,267 4,268 1.122,269 12,270 3.7,273 3.45,274 2.03,275 2.03,276 4.971,277 66.711,278 18.314,279 6.401}
{0 CHEMBL133455,1 13.915,2 4,4 60.683,7 0.739,8 1.085,9 1.72,10 3.72,12 -0.052,13 0.86,14 0.86,15 2,17 0.593,18 0.696,19 0.526,22 4.681,23 4.681,24 0.217,25 5,26 1.722,27 2.966,28 1,29 1.767,30 -2.85,31 0.469,32 4.724,33 12.113,34 5.035,35 0.283,36 0.366,37 -0.018,39 14,40 5.664,41 0.459,42 3.093,43 3.146,44 1,45 0.523,46 49.683,47 4.966,48 4.966,49 13,52 49.683,54 2.9,55 1.044,56 3.338,57 3.338,58 115.035,59 3.18,60 3.614,61 0.208,62 0.974,63 1.72,64 0.481,65 1,66 28,67 -0.856,68 -1.928,69 -1.928,70 2.212,71 8.825,72 2.559,73 1.699,74 2.204,75 44.332,76 8,77 -0.103,78 0.621,79 7.639,80 0.644,81 0.908,82 6.26,83 0.851,84 4.639,85 4.639,86 4.639,87 4.284,88 3.545,89 6.194,90 3,91 5.402,93 3.254,94 18.915,95 3.928,97 2,98 8.013,99 4.995,100 3.699,101 2.471,102 9.409,103 9.409,104 9.409,105 9.409,106 9.409,108 12.5,109 0.428,110 0.802,111 12.83,112 0.279,113 3.551,114 6.026,115 11.569,116 11.569,117 11.569,118 11.569,119 11.569,120 10.681,121 1.641,122 0.246,123 45.093,125 -2.96,126 4.953,127 3.883,128 51.04,130 0.593,131 0.171,132 -2.95,133 3.273,134 3.402,135 3.402,137 -0.077,138 1.36,140 2.788,141 2.788,142 1.131,144 2.393,145 0.67,146 3.588,147 1.127,148 3.394,149 4.023,150 -0.249,152 8.254,153 -2,154 -2,155 27.759,156 1.576,157 0.364,159 1.169,160 0.223,162 3.408,163 6.896,165 4.351,166 -0.1,167 3.215,168 -2.84,169 -2.84,171 -1.075,172 -1.075,173 10.419,174 8.5,175 -1.272,176 -1.272,177 0.087,178 14.614,179 -0.343,180 3.709,181 1.902,182 23.023,183 21.498,185 0.975,186 3.55,187 1.011,189 2.153,190 2.585,191 2.996,192 2.996,193 19,194 3.664,195 6.294,196 6.294,197 0.45,198 -0.605,199 1.286,200 -0.478,201 -0.506,202 -0.506,204 3.138,205 1.531,206 -0.231,207 2.644,208 2.911,209 1.103,210 -1.05,211 0.861,212 3.945,215 1.332,216 0.795,217 0.586,218 3.187,219 1.546,221 0.612,222 2.368,223 -0.2,224 -0.2,225 3.652,226 0.745,227 1.214,228 -3.922,229 -3.922,230 29.01,231 69.164,232 3.584,233 4.533,234 92,235 4.46,239 1.971,240 -0.626,241 1,242 1.443,243 1.443,244 17,245 29.713,246 22.557,248 5.887,249 0.717,250 3.575,251 6.298,252 94.169,253 0.92,254 39,255 1.486,256 6.142,257 1.836,258 1.836,259 3.446,260 1,261 4.839,262 0.047,263 1.441,264 1.128,265 3.496,266 4.395,267 3,268 1.054,269 10,270 3.459,273 3.401,274 1.872,275 1.872,276 4.687,277 69.487,278 19.958,279 8.699}
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{0 CHEMBL1732,1 13.915,2 5,3 100.549,4 173.287,6 12.245,7 4.382,8 0.523,9 3.882,10 3.437,12 0.216,13 2.228,14 2.228,15 8,17 5.654,18 1.329,19 0.32,21 3,22 4.879,23 4.879,24 11.501,25 5,26 2.553,27 6.519,28 5,29 1.92,30 -3.56,31 7.039,32 6.462,33 56.099,34 7.435,35 9.981,36 8.49,37 0.022,38 3,39 33,40 26.04,41 1.214,42 4.67,43 4.02,44 2,45 1.286,46 44.169,47 9.882,48 9.882,49 33,51 1.983,52 44.169,54 6.3,55 1.101,56 3.965,57 3.965,58 191.52,59 4.191,60 4.527,61 2.622,62 1.216,63 20.151,64 2.926,65 3,66 127.541,67 2.061,68 4.998,69 4.998,70 3.183,71 17.222,72 3.353,73 1.93,74 3.169,75 121.642,76 17,77 0.036,78 2.838,79 7.609,80 0.656,81 3.356,82 17.884,83 1.563,84 4.609,85 4.609,86 4.609,87 5.701,88 4.498,89 15.192,90 9,91 6.459,92 6.073,93 7.684,94 24.799,95 5.481,96 2,97 8,98 19.925,99 12.101,100 4.044,101 3.313,102 24.661,103 24.661,104 24.661,105 24.661,106 24.661,107 10.696,108 31.272,109 2.513,110 1.544,111 33.52,112 0.173,113 3.9,114 14.875,115 29.004,116 29.004,117 29.004,118 29.004,119 29.004,120 28.654,121 1.901,122 0.098,123 41.143,125 -3.75,126 7.425,127 4.689,128 118.21,130 1.082,131 0.077,132 -3.78,133 3.835,134 4.459,135 4.459,136 3,137 2.639,138 2.518,140 3.479,141 3.479,142 1.712,144 3.558,145 2.237,146 4.514,147 1.716,148 3.784,149 5.343,150 2.507,151 1,152 20.676,153 4.405,154 4.405,155 76.81,156 1.82,157 0.162,159 1.293,160 0.096,162 4.742,163 9.574,164 7.616,165 6.431,166 2.441,167 4.662,168 3.703,169 3.703,170 3,171 1.475,172 1.475,173 26.8,174 18.5,175 5.884,176 5.884,177 -0.142,178 66.469,179 -0.062,180 19.194,181 2.041,182 23.047,183 21.553,184 4.503,185 0.964,186 3.909,187 0.98,188 9.154,189 5.098,190 3.585,191 3.932,192 3.932,193 50,194 4.615,195 12.05,196 12.05,197 2.922,198 2.456,199 1.675,200 1.889,201 1.949,202 1.949,204 3.693,205 1.632,206 2.547,207 4.595,208 3.788,209 1.708,210 1.421,211 1.325,212 5.017,213 2.838,215 1.01,216 3.305,217 1.46,218 4.033,219 1.775,221 0.316,222 5.114,223 2.278,224 2.278,225 3.914,226 1.334,227 0.618,228 3.331,229 3.331,230 79.992,231 159.468,232 3.994,233 5.557,234 258,235 5.472,239 2.02,240 2.18,241 1,242 2.589,243 2.589,244 43,245 81.737,246 52.483,247 4,248 7.335,249 1.509,250 3.881,251 16.4,252 258.964,253 1.6,254 205,255 1.732,256 18.595,257 2.908,258 2.908,259 4.711,261 20.341,262 0.061,263 1.249,264 0.911,265 8.902,266 5.638,267 3,268 1,269 19,270 4.322,271 11,272 1.901,273 3.774,274 3.224,275 3.224,276 5.872,277 229.329,278 20.042,279 8.372}
{0 CHEMBL174049,1 41.691,3 89.288,4 82.417,6 0.035,7 5.851,8 0.584,9 7.255,10 -0.346,12 0.018,13 3.627,14 3.627,15 7,16 2,17 8.424,18 0.898,19 0.5,20 1.476,22 5.122,23 5.122,24 18.732,26 4.115,27 16.936,28 2,29 1.943,30 -4.89,31 11.001,32 6.06,33 26.73,34 8.211,35 16.155,36 13.578,37 -0.123,39 21,40 9.845,41 0.892,42 3.892,43 3.617,44 2,45 0.98,46 82.985,47 8.708,48 8.708,49 23,50 2,51 0.8,52 38.104,54 3.8,55 1.184,56 3.879,57 3.879,58 162.189,59 3.82,60 4.05,61 1.984,62 1.119,63 8.855,64 2.322,66 81.427,67 1.23,68 2.275,69 2.275,70 2.735,72 2.91,73 1.909,74 2.735,75 101.116,76 14,77 -0.048,78 1.588,79 7.871,80 0.673,81 3.342,82 12.388,83 1.293,84 4.871,85 4.871,86 4.871,87 4.897,88 4.023,89 9.795,90 9,91 7.595,92 0.188,93 5.476,94 25.225,95 4.677,97 7,98 13.231,99 7.773,100 3.945,101 2.75,102 16.697,103 16.697,104 16.697,105 16.697,106 16.697,107 0.054,108 21.46,109 1.457,110 1.323,111 22.246,112 0.212,113 3.861,114 9.544,115 20.449,116 20.449,117 20.449,118 20.449,119 20.449,120 18.401,121 1.883,122 0.151,123 13.921,125 -5.23,126 8.192,127 4.234,128 68.09,130 1.099,131 0.112,132 -5.35,133 3.714,134 5.595,135 5.595,137 1.96,138 1.943,139 42.312,140 3.861,141 3.861,142 1.429,144 3.034,145 1.397,146 4.16,147 1.214,148 3.744,149 4.863,150 1.302,151 2,152 14.783,153 2.015,154 2.015,155 48.124,156 1.732,157 0.248,159 1.223,160 0.137,161 2,162 3.967,163 8.57,164 0.125,165 5.321,166 1.771,167 3.857,168 1.901,169 1.901,170 2,171 0.81,172 0.81,173 18.112,174 19,175 2.372,176 2.372,177 -0.016,178 32.823,179 0.079,180 8.781,181 2.02,182 23.812,183 22.249,184 0.268,185 0.968,186 3.862,187 0.995,188 0.082,189 3.465,190 3.524,191 3.555,192 3.555,193 34,194 4.234,195 8.837,196 8.837,197 2,198 1.5,199 1.472,200 1,201 1,202 1,203 7.532,204 3.536,205 1.558,206 1.964,207 3.748,208 3.471,209 1.376,210 0.775,211 1.002,212 4.466,213 0.325,215 0.94,216 2.5,217 1.064,218 3.645,219 1.795,221 0.474,222 3.802,223 1.414,224 1.414,225 3.939,226 1.228,227 0.543,228 1.372,229 1.372,230 52.017,231 112.548,232 3.912,233 5.13,234 168,235 5.089,236 3,237 3,238 44.88,239 2.023,240 1.068,242 2.101,243 2.101,244 31,245 53.345,246 35.006,248 6.362,249 1.153,250 3.902,251 12.098,252 253.571,253 1.181,254 150,255 1.753,256 12.178,257 2.623,258 2.623,259 3.959,261 10.718,262 0.046,263 1.181,264 1.065,265 7.567,266 4.791,267 5,268 1.095,269 19,270 4.322,271 4,273 3.744,274 2.79,275 2.79,276 5.025,277 143.58,278 20.68,279 9.18}
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{0 CHEMBL1774083,1 22.103,2 2,3 46.635,4 77.19,6 9.674,7 3.009,8 0.398,9 3.306,10 3.223,12 0.026,13 1.907,14 1.907,15 6,16 1,17 4.061,18 0.769,19 0.459,22 4.606,23 4.606,24 9.051,25 2,26 4.614,27 21.292,28 2,29 1.995,30 -5.31,31 5.255,32 5.356,33 29.093,34 8.201,35 7.771,36 6.502,37 -0.021,38 1,39 26,40 13.316,41 1.064,42 3.972,43 3.736,44 2,45 1.151,46 56.005,47 6.943,48 6.943,49 26,50 1,51 0.86,52 41.045,54 3.2,55 1.145,56 3.93,57 3.93,58 174.17,59 3.612,60 4.167,61 2.27,62 1.239,63 9.032,64 2.614,66 75.81,67 1.62,68 2.846,69 2.846,70 2.91,72 3.111,73 1.908,74 2.941,75 110.991,76 16,77 -0.097,78 1.605,79 7.545,80 0.658,81 2.346,82 15.069,83 1.422,84 4.545,85 4.545,86 4.545,87 5.051,88 4.121,89 11.579,90 8,91 5.619,92 4.414,93 6.5,94 18.514,95 4.779,96 1,97 8,98 15.526,99 9.335,100 3.97,101 2.85,102 18.297,103 18.297,104 18.297,105 18.297,106 18.297,107 8.374,108 23.909,109 1.371,110 1.376,111 25.542,112 0.198,113 3.845,114 11.401,115 22.792,116 22.792,117 22.792,118 22.792,119 22.792,120 20.177,121 1.875,122 0.124,123 43.27,124 1,125 -5.7,126 7.429,127 4.302,128 57.7,129 1,130 1.342,131 0.086,132 -5.84,133 3.627,134 3.619,135 3.619,136 1,137 2,138 1.998,139 14.139,140 3.199,141 3.199,142 1.429,143 1,144 3.055,145 1.624,146 4.245,147 1.513,148 3.648,149 4.999,150 1.831,151 1,152 16.17,153 2.349,154 2.349,155 52.367,156 1.742,157 0.183,159 1.281,160 0.112,162 4.125,163 8.727,164 5.75,165 5.27,166 1.933,167 3.979,168 2.275,169 2.275,170 1,171 0.964,172 0.964,173 20.606,174 19,175 3.304,176 3.304,177 -0.172,178 34.734,179 -0.006,180 9.453,181 2.047,182 22.819,183 21.337,184 3.061,185 1.005,186 3.857,187 1.011,188 7.068,189 3.607,190 3.392,191 3.638,192 3.638,193 37,194 4.317,195 8.5,196 8.5,197 2.466,198 1.862,199 1.552,200 1.442,201 1.503,202 1.503,203 4.422,204 3.459,205 1.525,206 1.98,207 3.848,208 3.531,209 1.406,210 0.927,211 0.663,212 4.55,213 1.738,215 1.008,216 2.761,217 1.083,218 3.757,219 1.785,221 0.301,222 3.722,223 1.572,224 1.572,225 3.89,226 0.882,227 0.512,228 1.997,229 1.997,230 54.769,231 128.082,232 3.922,233 5.176,234 176,235 5.101,236 1,237 1,238 14.96,239 2.053,240 1.67,242 2.066,243 2.066,244 33,245 55.831,246 40.767,247 2,248 6.212,249 1.153,250 3.821,251 12.287,252 297.467,253 1.458,254 151,255 1.716,256 12.317,257 2.387,258 2.387,259 4.101,261 11.412,262 0.033,263 1.171,264 0.979,265 7.888,266 5.027,267 5,268 1.095,269 18,270 4.248,271 6,272 0.8,273 3.644,274 2.757,275 2.757,276 5.291,277 162.465,278 19.825,279 7.932}
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{0 CHEMBL1823063,1 2.757,3 48.963,4 68.089,6 0.068,7 1.488,8 0.575,9 2.117,10 5.809,12 0.052,13 1.058,14 1.058,15 3,17 1.47,18 1.035,19 0.314,20 2.281,21 1,22 4.598,23 4.598,24 1.706,25 1,26 3.666,27 13.442,28 1,29 1.915,30 -4.51,31 1.501,32 5.629,33 28.86,34 7.429,35 1.626,36 1.556,37 -0.056,38 1,39 25,40 13.885,41 1.128,42 4.024,43 3.74,44 1,45 1.208,46 42.944,47 7.36,48 7.36,49 22,50 1,51 0.8,52 42.944,54 1.5,55 1.221,56 4.019,57 4.019,58 145.144,59 3.614,60 4.214,61 2.169,62 1.211,63 5.317,64 2.355,66 28.429,67 1.305,68 2.696,69 2.696,70 2.942,71 26.476,72 3.166,73 1.763,74 2.943,75 48.457,76 10,77 -0.033,78 1.455,79 7.302,80 0.64,81 1.641,82 6.136,83 1.469,84 4.302,85 4.302,86 4.302,87 5.046,88 4.132,89 11.911,90 3,91 5.633,92 0.346,93 5.93,94 18.866,95 4.787,96 2,97 3,98 14.659,99 9.522,100 3.972,101 2.909,102 17.208,103 17.208,104 17.208,105 17.208,106 17.208,107 0.104,108 23.715,109 1.226,110 1.419,111 23.175,112 0.208,113 3.873,114 11.51,115 21.535,116 21.535,117 21.535,118 21.535,119 21.535,120 19.937,121 1.706,122 0.131,123 43.318,124 1,125 -4.8,126 4.932,127 4.384,128 53.4,130 1.728,131 0.093,132 -4.9,133 3.741,134 3.633,135 3.633,136 1,137 1.618,138 1.981,140 3.115,141 3.115,142 1.595,143 1,144 3.102,145 1.451,146 4.193,147 1.66,148 3.628,149 4.925,150 1.526,151 1,152 15.452,153 2.275,154 2.275,155 49.501,156 1.736,157 0.197,159 1.269,160 0.12,162 4.303,163 8.65,164 0.237,165 5.296,166 1.758,167 4.087,168 1.993,169 1.993,170 1,171 0.796,172 0.796,173 19.908,174 12,175 3.17,176 3.17,177 -0.299,178 42.978,179 -0.191,180 9.422,181 1.947,182 22.196,183 20.769,184 0.479,185 1.122,186 3.879,187 0.967,188 0.158,189 3.553,190 2.907,191 3.584,192 3.584,193 35,194 4.263,195 8.627,196 8.627,197 2.33,198 1.615,199 1.546,200 1.274,201 1.402,202 1.402,203 4.599,204 3.598,205 1.535,206 1.741,207 3.905,208 3.501,209 1.553,210 0.762,211 1.266,212 4.491,213 0.57,215 1.184,216 2.606,217 1.278,218 3.793,219 1.74,221 0.329,222 3.847,223 1.414,224 1.414,225 3.843,226 1.048,227 0.567,228 1.372,229 1.372,230 52.39,231 131.988,232 3.998,233 5.13,234 168,235 5.016,239 1.905,240 1.344,241 3,242 2.129,243 2.129,244 32,245 54.318,246 43.523,247 1,248 6.588,249 1.354,250 3.784,251 11.925,252 341.362,253 1.552,254 128,255 1.678,256 12.047,257 2.569,258 2.569,259 4.258,261 11.621,262 0.058,263 2.148,264 0.77,265 6.01,266 5.34,267 6,268 0.973,269 12,270 3.7,271 4,272 0.8,273 3.629,274 2.454,275 2.454,276 5.65,277 152,278 19.318,279 7.094}
{0 CHEMBL1823064,1 2.757,3 48.963,4 68.089,6 0.068,7 1.488,8 0.48,9 2.117,10 8.168,12 0.075,13 1.058,14 1.058,15 13,17 1.47,18 1.28,19 0.548,20 2.069,21 1,22 4.681,23 4.681,24 1.706,25 1,26 4.649,27 21.617,28 1,29 1.991,30 -5.34,31 1.501,32 5.828,33 41.451,34 7.429,35 1.626,36 1.556,37 -0.002,38 1,39 32,40 21.24,41 1.143,42 4.441,43 3.897,44 3,45 1.218,46 42.944,47 7.945,48 7.945,49 29,51 0.8,52 42.944,54 1.3,55 1.129,56 4.019,57 4.019,58 235.396,59 3.665,60 4.332,61 2.414,62 1.147,63 5.317,64 2.701,66 123.191,67 1.727,68 3.17,69 3.17,70 3.014,71 26.476,72 3.18,73 1.944,74 3.008,75 148.847,76 22,77 0.035,78 2.338,79 7.435,80 0.662,81 1.641,82 26.705,83 1.471,84 4.435,85 4.435,86 4.435,87 5.449,88 4.265,89 13.414,90 13,91 5.635,92 0.346,93 7.361,94 19.456,95 5.177,96 2,97 13,98 18.036,99 10.811,100 3.985,101 2.987,102 20.712,103 20.712,104 20.712,105 20.712,106 20.712,107 0.104,108 27.71,109 1.934,110 1.419,111 28.433,112 0.188,113 3.901,114 12.981,115 26.018,116 26.018,117 26.018,118 26.018,119 26.018,120 22.867,121 1.914,122 0.111,123 33.18,124 1,125 -5.74,126 4.956,127 4.384,128 53.4,130 2.054,131 0.079,132 -5.88,133 3.791,134 3.635,135 3.635,136 1,137 2.5,138 2.107,140 3.507,141 3.507,142 1.507,143 1,144 3.182,145 1.638,146 4.373,147 1.562,148 3.78,149 5.189,150 2.478,151 1,152 18.525,153 2.897,154 2.897,155 60.705,156 1.783,157 0.167,159 1.206,160 0.102,162 4.56,163 9.167,164 0.237,165 5.629,166 2.028,167 4.413,168 2.617,169 2.617,170 1,171 1.063,172 1.063,173 23.043,174 24,175 3.618,176 3.618,177 -0.215,178 49.879,179 0.011,180 14.738,181 2.048,182 22.586,183 21.145,184 0.479,185 1.024,186 3.901,187 0.999,188 0.158,189 3.847,190 3.755,191 3.761,192 3.761,193 42,194 4.443,195 8.894,196 8.894,197 2.431,198 2.032,199 1.696,200 1.418,201 1.454,202 1.454,203 4.81,204 3.641,205 1.52,206 2.048,207 4.283,208 3.667,209 1.523,210 1.023,211 1.295,212 4.697,213 0.57,215 0.963,216 2.869,217 1.242,218 3.942,219 1.864,221 0.285,222 4.183,223 1.571,224 1.571,225 3.875,226 1.066,227 0.629,228 2.32,229 2.32,230 63.095,231 155.762,232 3.921,233 5.303,234 200,235 5.251,239 1.926,240 2,241 3,242 2.238,243 2.238,244 38,245 64.5,246 49.665,247 1,248 6.588,249 1.293,250 3.843,251 14.093,252 400.217,253 1.532,254 194,255 1.835,256 14.29,257 2.57,258 2.57,259 4.46,261 17.389,262 0.048,263 2.052,264 0.93,265 9.658,266 5.381,267 8,268 1.061,269 24,270 4.644,271 7,272 0.8,273 3.788,274 2.811,275 2.811,276 5.642,277 183.421,278 19.663,279 7.532}
{0 CHEMBL1823065,1 2.757,3 48.963,4 68.089,6 0.068,7 1.488,8 0.48,9 2.117,10 7.231,12 0.037,13 1.058,14 1.058,15 13,17 1.47,18 1.15,19 0.548,20 2.061,21 1,22 4.681,23 4.681,24 1.706,25 1,26 4.649,27 21.617,28 1,29 1.991,30 -5.34,31 1.501,32 5.828,33 38.524,34 7.429,35 1.626,36 1.556,37 -0.023,38 1,39 31,40 19.607,41 1.128,42 4.399,43 3.883,44 3,45 1.208,46 42.944,47 7.945,48 7.945,49 29,50 1,51 0.8,52 42.944,54 1.4,55 1.055,56 4.019,57 4.019,58 226.886,59 3.665,60 4.318,61 2.407,62 1.146,63 5.317,64 2.701,66 123.191,67 1.727,68 3.17,69 3.17,70 2.997,71 17.65,72 3.17,73 1.934,74 2.982,75 149.162,76 22,77 0.01,78 2.16,79 7.435,80 0.677,81 1.641,82 26.194,83 1.469,84 4.435,85 4.435,86 4.435,87 5.349,88 4.254,89 13.133,90 13,91 5.635,92 0.346,93 7.361,94 19.456,95 5.097,96 2,97 13,98 17.744,99 10.558,100 3.973,101 2.909,102 20.712,103 20.712,104 20.712,105 20.712,106 20.712,107 0.104,108 27.496,109 1.807,110 1.418,111 28.433,112 0.188,113 3.89,114 12.736,115 26.018,116 26.018,117 26.018,118 26.018,119 26.018,120 22.702,121 1.905,122 0.111,123 33.18,124 1,125 -5.74,126 4.962,127 4.384,128 53.4,130 1.931,131 0.079,132 -5.88,133 3.785,134 3.635,135 3.635,136 1,137 2.5,138 2.008,140 3.507,141 3.507,142 1.498,143 1,144 3.14,145 1.636,146 4.373,147 1.552,148 3.78,149 5.189,150 2.478,151 1,152 18.525,153 2.897,154 2.897,155 59.893,156 1.783,157 0.167,159 1.18,160 0.102,162 4.54,163 9.167,164 0.237,165 5.629,166 2.028,167 4.395,168 2.617,169 2.617,170 1,171 1.063,172 1.063,173 23.043,174 24,175 3.618,176 3.618,177 -0.221,178 51.467,179 -0.027,180 14.095,181 2.048,182 22.586,183 21.145,184 0.479,185 0.974,186 3.888,187 1.002,188 0.158,189 3.847,190 3.755,191 3.761,192 3.761,193 42,194 4.443,195 8.894,196 8.894,197 2.414,198 2.032,199 1.69,200 1.414,201 1.454,202 1.454,203 4.801,204 3.64,205 1.53,206 2.048,207 4.252,208 3.667,209 1.518,210 1.023,211 1.261,212 4.675,213 0.57,215 0.998,216 2.869,217 1.241,218 3.924,219 1.864,221 0.285,222 4.183,223 1.571,224 1.571,225 3.875,226 1.097,227 0.587,228 2.32,229 2.32,230 63.095,231 155.526,232 4.021,233 5.303,234 200,235 5.251,239 1.914,240 2,241 2,242 2.238,243 2.238,244 38,245 64.5,246 48.762,247 1,248 6.588,249 1.291,250 3.843,251 14.078,252 364.904,253 1.513,254 194,255 1.835,256 14.29,257 2.57,258 2.57,259 4.436,261 16.565,262 0.048,263 1.937,264 0.956,265 9.69,266 5.35,267 8,268 1.049,269 24,270 4.644,271 7,272 0.8,273 3.788,274 2.811,275 2.811,276 5.604,277 184.666,278 19.663,279 7.857}
{0 CHEMBL1823066,1 11.771,3 48.963,4 68.089,6 0.068,7 1.488,8 0.435,9 2.117,10 7.238,12 0.046,13 1.058,14 1.058,15 13,17 1.47,18 1.028,19 0.561,20 1.986,21 1,22 4.557,23 4.557,24 1.706,25 1,26 4.462,27 19.906,28 1,29 1.99,30 -5.18,31 1.501,32 5.763,33 36.843,34 7.429,35 1.626,36 1.556,37 0.008,38 1,39 31,40 18.512,41 1.143,42 4.321,43 3.865,44 3,45 1.217,46 42.944,47 7.796,48 7.796,49 29,51 0.8,52 42.944,54 1.4,55 1.118,56 4.019,57 4.019,58 232.861,59 3.628,60 4.298,61 2.395,62 1.134,63 5.317,64 2.694,66 132.239,67 1.721,68 3.17,69 3.17,70 3.013,71 17.65,72 3.18,73 1.941,74 3.006,75 155.138,76 22,77 0.047,78 2.068,79 7.278,80 0.665,81 1.641,82 28.403,83 1.47,84 4.278,85 4.278,86 4.278,87 5.32,88 4.233,89 12.986,90 14,91 5.577,92 0.346,93 7.285,94 18.208,95 5.062,96 2,97 13,98 17.608,99 10.493,100 3.984,101 2.987,102 20.248,103 20.248,104 20.248,105 20.248,106 20.248,107 0.104,108 26.935,109 1.756,110 1.419,111 28.027,112 0.189,113 3.9,114 12.619,115 25.466,116 25.466,117 25.466,118 25.466,119 25.466,120 22.22,121 1.911,122 0.111,123 33.18,124 1,125 -5.56,126 4.966,127 4.384,128 53.4,130 1.959,131 0.078,132 -5.69,133 3.791,134 3.577,135 3.577,136 1,137 2.479,138 2.105,140 3.473,141 3.473,142 1.477,143 1,144 3.18,145 1.55,146 4.349,147 1.56,148 3.78,149 5.159,150 2.3,151 1,152 18.097,153 2.732,154 2.732,155 59.108,156 1.775,157 0.164,159 1.206,160 0.101,162 4.439,163 9.086,164 0.237,165 5.629,166 2,167 4.302,168 2.297,169 2.297,170 1,171 1,172 1,173 22.571,174 24,175 3.42,176 3.42,177 -0.221,178 43.441,179 0.044,180 12.986,181 2.044,182 22.176,183 20.781,184 0.479,185 1.01,186 3.9,187 1.003,188 0.158,189 3.847,190 3.755,191 3.738,192 3.738,193 41,194 4.419,195 8.314,196 8.314,197 2.414,198 1.949,199 1.694,200 1.414,201 1.43,202 1.43,203 4.711,204 3.631,205 1.518,206 2.032,207 4.204,208 3.642,209 1.493,210 1,211 0.921,212 4.662,213 0.57,215 0.937,216 2.856,217 1.224,218 3.907,219 1.863,221 0.27,222 4,223 1.524,224 1.524,225 3.875,226 1.102,227 0.614,228 2.275,229 2.275,230 61.472,231 150.921,232 3.921,233 5.273,234 194,235 5.224,239 1.926,240 1.967,241 2,242 2.237,243 2.237,244 37,245 62.321,246 47.904,247 1,248 6.588,249 1.277,250 3.843,251 13.712,252 376.675,253 1.529,254 182,255 1.833,256 13.804,257 2.569,258 2.569,259 4.365,261 14.788,262 0.037,263 2.23,264 0.91,265 9.574,266 5.271,267 7,268 1.009,269 24,270 4.644,271 7,272 0.8,273 3.788,274 2.811,275 2.811,276 5.534,277 176.75,278 19.324,279 7.879}
{0 CHEMBL1823067,1 2.757,3 114.572,4 103.314,6 0.068,7 1.521,8 0.394,9 2.117,10 6.862,12 0.007,13 1.058,14 1.058,15 13,17 1.48,18 0.994,19 0.583,20 3.763,21 1,22 4.698,23 4.698,24 1.706,25 1,26 5.069,27 25.692,28 1,29 1.99,30 -5.7,31 1.503,32 5.839,33 48.928,34 7.429,35 1.626,36 1.557,37 0.035,38 1,39 33,40 23.632,41 1.172,42 4.629,43 3.974,44 3,45 1.238,46 78.169,47 7.987,48 7.987,49 34,50 1,51 0.8,52 78.169,54 1.3,55 1.074,56 4.019,57 4.019,58 272.628,59 3.684,60 4.395,61 2.419,62 1.16,63 6.36,64 2.869,65 1,66 123.191,67 2.032,68 3.629,69 3.629,70 3.018,71 8.825,72 3.23,73 1.934,74 3.026,75 149.162,76 24,77 -0.002,78 2.724,79 7.45,80 0.68,81 1.741,82 29.195,83 1.469,84 4.45,85 4.45,86 4.45,87 5.612,88 4.348,89 14.477,90 15,91 5.65,92 0.346,93 8.536,94 19.699,95 5.372,96 2,97 13,98 20.066,99 11.68,100 3.974,101 2.909,102 23.732,103 23.732,104 23.732,105 23.732,106 23.732,107 0.104,108 30.881,109 2.496,110 1.495,111 32.997,112 0.174,113 3.89,114 14.13,115 29.742,116 29.742,117 29.742,118 29.742,119 29.742,120 25.497,121 1.905,122 0.098,123 35.285,124 1,125 -6.14,126 5.093,127 4.384,128 84.11,130 1.67,131 0.07,132 -6.3,133 3.839,134 3.65,135 3.65,136 1,137 2.5,138 2.344,140 3.55,141 3.55,142 1.531,143 1,144 3.436,145 1.958,146 4.501,147 1.552,148 3.781,149 5.379,150 2.5,151 3,152 21.081,153 3.17,154 3.17,155 67.947,156 1.817,157 0.147,159 1.182,160 0.089,161 1,162 4.698,163 9.549,164 0.237,165 5.629,166 2.282,167 4.603,168 3.016,169 3.016,170 3,171 1.342,172 1.342,173 26.198,174 28,175 4.084,176 4.084,177 -0.245,178 59.096,179 0.024,180 16.824,181 2.05,182 22.645,183 21.205,184 0.479,185 0.962,186 3.888,187 1.011,188 0.158,189 4.187,190 4,191 3.892,192 3.892,193 48,194 4.575,195 9.052,196 9.052,197 2.536,198 2.063,199 1.691,200 1.506,201 1.575,202 1.575,203 13.33,204 3.681,205 1.52,206 2.323,207 4.557,208 3.788,209 1.556,210 1.231,211 1.144,212 4.795,213 0.57,215 0.949,216 2.921,217 1.264,218 3.998,219 1.865,221 0.254,222 4.442,223 1.697,224 1.697,225 3.925,226 1.071,227 0.564,228 2.685,229 2.685,230 72.019,231 172.965,232 4.023,233 5.434,234 228,235 5.389,239 1.915,240 2,241 1,242 2.486,243 2.486,244 43,245 72.744,246 53.018,247 1,248 6.588,249 1.315,250 3.856,251 15.911,252 376.675,253 1.513,254 257,255 1.836,256 16.132,257 2.573,258 2.573,259 4.577,261 17.961,262 0.043,263 1.81,264 0.951,265 11.382,266 5.477,267 8,268 1,269 29,270 4.907,271 7,272 0.8,273 3.789,274 3.423,275 3.423,276 5.712,277 218.574,278 19.725,279 7.91}
{0 CHEMBL1823068,1 2.757,3 48.963,4 79.089,6 0.068,7 1.709,8 0.729,9 2.117,10 6.823,12 -0.016,13 1.058,14 1.058,15 7,17 1.641,18 0.991,19 0.447,20 1.967,21 1,22 4.655,23 4.655,24 1.749,25 1,26 3.342,27 11.167,28 2,29 1.947,30 -4.23,31 1.626,32 5.637,33 34.304,34 7.429,35 1.689,36 1.645,37 0.007,38 1,39 27,40 16.305,41 1.124,42 4.169,43 3.784,44 2,45 1.197,46 42.944,47 7.361,48 7.361,49 23,50 1,51 0.86,52 42.944,54 2.9,55 1.181,56 4.019,57 4.019,58 191.794,59 3.753,60 4.203,61 2.405,62 1.123,63 7.037,64 2.7,66 66.334,67 1.726,68 3.169,69 3.169,70 2.978,71 37.359,72 3.173,73 1.91,74 2.969,75 105.246,76 16,77 -0.017,78 1.725,79 7.401,80 0.655,81 1.893,82 13.853,83 1.469,84 4.401,85 4.401,86 4.401,87 5.219,88 4.15,89 11.96,90 7,91 5.639,92 0.346,93 6.382,94 19.282,95 4.939,96 2,97 7,98 15.957,99 9.567,100 3.973,101 2.909,102 18.612,103 18.612,104 18.612,105 18.612,106 18.612,107 0.104,108 25.202,109 1.409,110 1.42,111 24.967,112 0.2,113 3.885,114 11.504,115 23.612,116 23.612,117 23.612,118 23.612,119 23.612,120 20.446,121 1.884,122 0.123,123 33.18,124 1,125 -4.49,126 4.96,127 4.384,128 62.63,130 1.576,131 0.087,132 -4.57,133 3.761,134 3.639,135 3.639,136 1,137 2,138 1.984,140 3.713,141 3.713,142 1.532,143 1,144 3.134,145 1.507,146 4.279,147 1.573,148 3.682,149 5.05,150 1.672,151 1,152 16.901,153 2.926,154 2.926,155 53.198,156 1.759,157 0.184,159 1.18,160 0.112,162 4.397,163 8.914,164 0.237,165 5.629,166 1.967,167 4.221,168 2.376,169 2.376,170 1,171 1,172 1,173 21.273,174 18.5,175 3.264,176 3.264,177 -0.31,178 46.762,179 -0.137,180 11.246,181 2.023,182 22.514,183 21.076,184 0.479,185 1.058,186 3.886,187 0.971,188 0.158,189 3.847,190 3.392,191 3.664,192 3.664,193 38,194 4.344,195 9.263,196 9.263,197 2.414,198 2.025,199 1.579,200 1.414,201 1.45,202 1.45,203 4.551,204 3.608,205 1.538,206 2.033,207 3.996,208 3.588,209 1.512,210 0.965,211 1.172,212 4.561,213 0.57,215 1.121,216 2.869,217 1.128,218 3.818,219 1.755,221 0.31,222 4.034,223 1.502,224 1.502,225 3.844,226 1.067,227 0.608,228 2.275,229 2.275,230 56.764,231 141.816,232 4.014,233 5.209,234 182,235 5.131,239 1.905,240 1.402,241 3,242 2.233,243 2.233,244 35,245 59.515,246 45.216,247 1,248 6.588,249 1.208,250 3.796,251 12.962,252 364.904,253 1.552,254 159,255 1.69,256 13.09,257 2.571,258 2.571,259 4.345,261 13.574,262 0.056,263 1.661,264 0.965,265 8.372,266 5.362,267 8,268 1.006,269 18,270 4.248,271 4,272 0.8,273 3.671,274 2.811,275 2.811,276 5.645,277 175.525,278 19.607,279 7.893}
{0 CHEMBL1823069,1 2.757,3 48.963,4 79.089,6 0.068,7 1.709,8 0.729,9 2.117,10 7.759,12 0.012,13 1.058,14 1.058,15 7,17 1.641,18 1.057,19 0.447,20 1.975,21 1,22 4.655,23 4.655,24 1.749,25 1,26 3.342,27 11.167,28 2,29 1.973,30 -4.23,31 1.626,32 5.637,33 36.231,34 7.429,35 1.689,36 1.645,37 0.027,38 1,39 28,40 17.585,41 1.124,42 4.222,43 3.8,44 2,45 1.197,46 42.944,47 7.361,48 7.361,49 23,51 0.86,52 42.944,54 2.8,55 1.269,56 4.019,57 4.019,58 200.305,59 3.753,60 4.219,61 2.414,62 1.125,63 7.037,64 2.7,66 66.334,67 1.726,68 3.169,69 3.169,70 2.978,71 46.184,72 3.186,73 1.91,74 2.988,75 104.931,76 16,77 0.01,78 1.889,79 7.401,80 0.641,81 1.893,82 14.328,83 1.476,84 4.401,85 4.401,86 4.401,87 5.331,88 4.162,89 12.241,90 7,91 5.639,92 0.346,93 6.382,94 19.282,95 5.032,96 2,97 7,98 16.249,99 9.82,100 3.984,101 2.987,102 18.612,103 18.612,104 18.612,105 18.612,106 18.612,107 0.104,108 25.416,109 1.518,110 1.444,111 24.967,112 0.2,113 3.894,114 11.749,115 23.612,116 23.612,117 23.612,118 23.612,119 23.612,120 20.612,121 1.884,122 0.123,123 33.18,124 1,125 -4.49,126 4.955,127 4.384,128 62.63,130 1.739,131 0.087,132 -4.57,133 3.767,134 3.639,135 3.639,136 1,137 2,138 2.101,140 3.713,141 3.713,142 1.532,143 1,144 3.176,145 1.524,146 4.279,147 1.573,148 3.682,149 5.05,150 1.672,151 1,152 16.901,153 2.926,154 2.926,155 54.01,156 1.759,157 0.184,159 1.206,160 0.112,162 4.42,163 8.914,164 0.237,165 5.629,166 1.967,167 4.243,168 2.376,169 2.376,170 1,171 1,172 1,173 21.273,174 18.5,175 3.264,176 3.264,177 -0.3,178 44.462,179 -0.096,180 11.605,181 2.024,182 22.514,183 21.076,184 0.479,185 1.115,186 3.898,187 0.968,188 0.158,189 3.847,190 3.392,191 3.664,192 3.664,193 38,194 4.344,195 9.263,196 9.263,197 2.428,198 2.025,199 1.581,200 1.414,201 1.45,202 1.45,203 4.56,204 3.612,205 1.528,206 2.033,207 4.036,208 3.588,209 1.512,210 0.965,211 1.199,212 4.586,213 0.57,215 1.082,216 2.869,217 1.144,218 3.838,219 1.763,221 0.31,222 4.034,223 1.502,224 1.502,225 3.855,226 1.035,227 0.65,228 2.275,229 2.275,230 56.764,231 142.053,232 3.921,233 5.209,234 182,235 5.131,239 1.926,240 1.406,241 4,242 2.233,243 2.233,244 35,245 59.515,246 46.12,247 1,248 6.588,249 1.219,250 3.8,251 12.977,252 400.217,253 1.562,254 159,255 1.696,256 13.09,257 2.571,258 2.571,259 4.37,261 14.2,262 0.056,263 1.723,264 0.941,265 8.34,266 5.394,267 8,268 1.025,269 18,270 4.248,271 4,272 0.8,273 3.671,274 2.811,275 2.811,276 5.681,277 173.525,278 19.607,279 6.842}
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{0 CHEMBL1823091,1 2.757,3 48.963,4 68.089,6 0.068,7 1.488,8 0.591,9 2.117,10 7.71,12 0.061,13 1.058,14 1.058,15 7,17 1.47,18 1.051,19 0.459,20 1.968,21 1,22 4.629,23 4.629,24 1.706,25 1,26 4.101,27 16.817,28 1,29 1.973,30 -4.88,31 1.501,32 5.629,33 33.771,34 7.429,35 1.626,36 1.556,37 -0.002,38 1,39 27,40 15.39,41 1.1,42 4.144,43 3.774,44 2,45 1.188,46 42.944,47 7.36,48 7.36,49 23,50 1,51 0.8,52 42.944,54 1.5,55 1.142,56 4.019,57 4.019,58 187.679,59 3.645,60 4.213,61 2.303,62 1.122,63 5.317,64 2.68,66 66.334,67 1.719,68 3.168,69 3.168,70 2.969,71 35.301,72 3.173,73 1.911,74 2.988,75 92.305,76 16,77 -0.073,78 1.667,79 7.373,80 0.658,81 1.641,82 14.134,83 1.466,84 4.373,85 4.373,86 4.373,87 5.16,88 4.146,89 11.883,90 7,91 5.634,92 0.346,93 6.236,94 18.888,95 4.883,96 2,97 7,98 15.536,99 9.485,100 3.984,101 2.987,102 18.191,103 18.191,104 18.191,105 18.191,106 18.191,107 0.104,108 24.667,109 1.359,110 1.418,111 24.274,112 0.203,113 3.897,114 11.399,115 22.69,116 22.69,117 22.69,118 22.69,119 22.69,120 20.197,121 1.884,122 0.125,123 33.18,124 1,125 -5.22,126 4.987,127 4.384,128 53.4,130 1.731,131 0.088,132 -5.33,133 3.763,134 3.634,135 3.634,136 1,137 2,138 2.097,140 3.607,141 3.607,142 1.476,143 1,144 3.177,145 1.611,146 4.251,147 1.562,148 3.688,149 5.006,150 1.527,151 1,152 16.346,153 2.639,154 2.639,155 52.457,156 1.752,157 0.187,159 1.206,160 0.114,162 4.352,163 8.827,164 0.237,165 5.297,166 1.967,167 4.171,168 2.373,169 2.373,170 1,171 1,172 1,173 20.325,174 18,175 3.35,176 3.35,177 -0.276,178 46.847,179 -0.088,180 10.558,181 2.015,182 22.419,183 20.988,184 0.479,185 1.049,186 3.898,187 0.978,188 0.158,189 3.847,190 3.392,191 3.638,192 3.638,193 37,194 4.317,195 8.683,196 8.683,197 2.414,198 1.784,199 1.581,200 1.414,201 1.414,202 1.414,203 4.527,204 3.613,205 1.531,206 2.032,207 3.963,208 3.56,209 1.444,210 0.965,211 1.203,212 4.556,213 0.57,215 1.065,216 2.719,217 1.144,218 3.82,219 1.763,221 0.311,222 4.12,223 1.508,224 1.508,225 3.854,226 0.962,227 0.604,228 2.275,229 2.275,230 55.609,231 140.394,232 3.923,233 5.187,234 178,235 5.113,239 1.926,240 1.363,241 4,242 2.235,243 2.235,244 34,245 58,246 44.762,247 1,248 6.588,249 1.219,250 3.798,251 12.603,252 364.904,253 1.532,254 148,255 1.696,256 12.624,257 2.571,258 2.571,259 4.293,261 13.721,262 0.059,263 1.54,264 0.924,265 7.913,266 5.298,267 8,268 0.944,269 18,270 4.248,271 3,272 0.8,273 3.681,274 2.811,275 2.811,276 5.591,277 164.974,278 19.523,279 7.014}
{0 CHEMBL1823092,1 2.757,3 48.963,4 68.089,6 0.068,7 1.488,8 0.591,9 2.117,10 7.813,12 0.061,13 1.058,14 1.058,15 7,17 1.47,18 0.943,19 0.459,20 1.987,21 1,22 4.627,23 4.627,24 1.706,25 1,26 4.101,27 16.817,28 1,29 1.973,30 -4.88,31 1.501,32 5.629,33 37.699,34 7.429,35 1.626,36 1.556,37 -0.002,38 1,39 27,40 15.685,41 1.1,42 4.149,43 3.774,44 2,45 1.188,46 42.944,47 7.36,48 7.36,49 23,50 1,51 0.8,52 42.944,54 1.5,55 1.142,56 4.019,57 4.019,58 187.679,59 3.63,60 4.213,61 2.3,62 1.122,63 5.317,64 2.54,66 66.334,67 1.544,68 3.168,69 3.168,70 2.969,71 35.301,72 3.173,73 1.911,74 2.988,75 92.305,76 16,77 -0.073,78 1.669,79 7.369,80 0.658,81 1.641,82 14.112,83 1.466,84 4.369,85 4.369,86 4.369,87 5.158,88 4.146,89 11.883,90 7,91 5.633,92 0.346,93 6.217,94 18.865,95 4.893,96 2,97 7,98 15.536,99 9.483,100 3.984,101 2.987,102 18.174,103 18.174,104 18.174,105 18.174,106 18.174,107 0.104,108 24.667,109 1.34,110 1.418,111 24.274,112 0.203,113 3.897,114 11.399,115 22.69,116 22.69,117 22.69,118 22.69,119 22.69,120 20.197,121 1.884,122 0.125,123 33.18,124 1,125 -5.22,126 4.984,127 4.384,128 53.4,130 1.771,131 0.088,132 -5.33,133 3.764,134 3.633,135 3.633,136 1,137 2,138 2.098,140 3.583,141 3.583,142 1.476,143 1,144 3.178,145 1.652,146 4.251,147 1.562,148 3.689,149 5.006,150 1.528,151 1,152 16.346,153 2.499,154 2.499,155 52.437,156 1.752,157 0.187,159 1.206,160 0.114,162 4.334,163 8.826,164 0.237,165 5.296,166 1.967,167 4.148,168 2.275,169 2.275,170 1,171 1,172 1,173 20.325,174 18,175 3.377,176 3.377,177 -0.276,178 43.834,179 -0.097,180 11.094,181 2.016,182 22.407,183 20.977,184 0.479,185 1.049,186 3.898,187 0.978,188 0.158,189 3.847,190 3.392,191 3.638,192 3.638,193 37,194 4.317,195 8.634,196 8.634,197 2.414,198 1.734,199 1.581,200 1.414,201 1.414,202 1.414,203 4.53,204 3.613,205 1.54,206 2.032,207 3.998,208 3.56,209 1.444,210 0.965,211 1.146,212 4.556,213 0.57,215 1.07,216 2.707,217 1.144,218 3.82,219 1.763,221 0.311,222 4.141,223 1.511,224 1.511,225 3.854,226 0.993,227 0.604,228 2.275,229 2.275,230 55.552,231 140.394,232 3.923,233 5.187,234 178,235 5.113,239 1.926,240 1.368,241 4,242 2.236,243 2.236,244 34,245 57.996,246 44.762,247 1,248 6.588,249 1.219,250 3.798,251 12.6,252 364.904,253 1.532,254 163,255 1.696,256 12.708,257 2.57,258 2.57,259 4.276,261 13.434,262 0.056,263 1.998,264 0.802,265 7.913,266 5.294,267 8,268 0.957,269 18,270 4.248,271 4,272 0.8,273 3.682,274 2.811,275 2.811,276 5.591,277 162.974,278 19.512,279 7.174}
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{0 CHEMBL1823213,1 2.757,3 48.963,4 110.772,6 0.068,7 1.488,8 0.591,9 2.117,10 6.867,12 0.033,13 1.058,14 1.058,15 8,17 1.47,18 1.142,19 0.459,20 1.973,21 2,22 4.625,23 4.625,24 1.706,26 2.875,27 8.268,28 2,29 1.958,30 -3.83,31 1.501,32 5.641,33 32.752,34 7.429,35 1.626,36 1.556,37 -0.014,38 1,39 27,40 15.137,41 1.1,42 4.126,43 3.77,44 2,45 1.188,46 42.944,47 7.539,48 7.539,49 23,51 0.8,52 42.944,54 2.9,55 1.208,56 4.019,57 4.019,58 191.12,59 3.626,60 4.196,61 2.367,62 1.122,63 5.317,64 2.609,65 1,66 118.493,67 1.622,68 3.167,69 3.167,70 2.969,71 35.301,72 3.173,73 1.915,74 2.988,75 98.28,76 16,77 0.008,78 1.73,79 7.366,80 0.643,81 1.641,82 16.324,83 1.466,84 4.366,85 4.366,86 4.366,87 5.19,88 4.14,89 11.81,90 8,91 5.634,92 0.346,93 6.251,94 18.865,95 4.926,96 2,97 8,98 15.783,99 9.462,100 3.984,101 2.987,102 18.191,103 18.191,104 18.191,105 18.191,106 18.191,107 0.104,108 24.564,109 1.4,110 1.418,111 24.274,112 0.203,113 3.894,114 11.368,115 22.69,116 22.69,117 22.69,118 22.69,119 22.69,120 20.154,121 1.883,122 0.125,123 30.645,124 1,125 -4.05,126 6.449,127 4.384,128 73.63,130 1.867,131 0.088,132 -4.11,133 3.76,134 3.634,135 3.634,136 1,137 2,138 2.066,140 3.456,141 3.456,142 1.476,143 1,144 3.102,145 1.617,146 4.25,147 1.562,148 3.678,149 5.006,150 1.635,151 1,152 16.346,153 2.576,154 2.576,155 53.121,156 1.753,157 0.187,159 1.185,160 0.114,162 4.34,163 8.836,164 0.237,165 5.436,166 1.967,167 4.167,168 2.275,169 2.275,170 1,171 1,172 1,173 20.35,174 18,175 3.435,176 3.435,177 -0.258,178 41.663,179 -0.116,180 10.257,181 2.028,182 22.381,183 20.949,184 0.479,185 1.079,186 3.897,187 0.951,188 0.158,189 3.844,190 3.392,191 3.638,192 3.638,193 37,194 4.317,195 8.627,196 8.627,197 2.414,198 1.98,199 1.581,200 1.414,201 1.414,202 1.414,203 4.484,204 3.614,205 1.53,206 2.032,207 3.978,208 3.56,209 1.445,210 0.965,211 1.199,212 4.573,213 0.57,215 1.098,216 2.867,217 1.144,218 3.807,219 1.757,221 0.311,222 4.143,223 1.462,224 1.462,225 3.854,226 0.939,227 0.773,228 2.136,229 2.136,230 55.906,231 136.687,232 3.921,233 5.187,234 178,235 5.113,239 1.926,240 1.401,241 4,242 2.131,243 2.131,244 34,245 57.895,246 44.358,247 1,248 6.588,249 1.219,250 3.8,251 12.645,252 388.446,253 1.532,254 149,255 1.694,256 12.626,257 2.6,258 2.6,259 4.309,261 12.851,262 0.06,263 1.849,264 0.818,265 8.097,266 5.342,267 7,268 0.999,269 18,270 4.248,272 0.8,273 3.67,274 2.816,275 2.816,276 5.632,277 162.974,278 19.481,279 7.14}
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{0 CHEMBL198109,1 4.276,3 36.145,4 67.518,6 20.124,7 5.489,8 0.832,9 5.335,10 1.251,12 0.17,13 3.825,14 3.825,15 6,17 8.069,18 1.179,19 0.324,22 4.565,23 4.565,24 18.783,26 2.588,27 6.695,28 4,29 1.942,30 -3.59,31 10.736,32 5.988,33 36.247,34 8.513,35 16.1,36 13.417,37 0.266,38 2,39 24,40 15.475,41 1.064,42 4.081,43 3.692,44 2,45 1.153,46 54.253,47 8.447,48 8.447,49 23,51 1.741,52 9.373,53 1,54 6.5,55 1.335,56 3.95,57 3.95,58 144.651,59 3.814,60 4.057,61 2.117,62 1.118,63 19.965,64 2.389,66 56.857,67 1.296,68 3.049,69 3.049,70 2.936,71 19.708,72 3.138,73 1.882,74 2.943,75 94.388,76 13,77 -0.031,78 1.869,79 7.072,80 0.634,81 3.476,82 9.164,83 1.429,84 4.072,85 4.072,86 4.072,87 5.257,88 4.069,89 10.868,90 6,91 6.471,92 9.392,93 6.117,94 19.703,95 5.03,97 6,98 15.192,99 8.709,100 3.916,101 2.943,102 18.177,103 18.177,104 18.177,105 18.177,106 18.177,107 17.441,108 23.669,109 1.706,110 1.438,111 24.156,112 0.203,113 3.827,114 10.662,115 22.618,116 22.618,117 22.618,118 22.618,119 22.618,120 19.323,121 1.864,122 0.123,123 30.554,125 -3.78,126 7.999,127 4.383,128 54.48,130 1.536,131 0.092,132 -3.82,133 3.677,134 4.471,135 4.471,136 1,137 2,138 2.035,139 40.026,140 3.463,141 3.463,142 1.472,144 3.171,145 1.528,146 4.251,147 1.523,148 3.598,149 4.999,150 1.722,151 4,152 16.274,153 2.762,154 2.762,155 51.135,156 1.76,157 0.196,159 1.192,160 0.116,162 4.059,163 8.868,164 12.075,165 5.427,166 1.952,167 4.035,168 2.236,169 2.236,170 3,171 1,172 1,173 21.099,174 15.5,175 3.19,176 3.19,177 -0.231,178 32.343,179 0.07,180 11.672,181 2.008,182 21.605,183 20.252,184 6.705,185 1.098,186 3.834,187 0.962,188 14.758,189 3.793,190 3,191 3.638,192 3.638,193 37,194 4.317,195 9.29,196 9.29,197 2.146,198 1.55,199 1.388,200 1.134,201 1.155,202 1.155,204 3.497,205 1.517,206 1.616,207 4.115,208 3.56,209 1.451,210 0.946,211 1.211,212 4.521,213 3.971,214 1,215 0.895,216 2.549,217 1.087,218 3.674,219 1.732,221 0.33,222 4.024,223 1.491,224 1.491,225 3.864,226 0.912,227 0.565,228 2.136,229 2.136,230 55.933,231 121.351,232 3.875,233 5.198,234 180,235 5.088,236 3,237 3,238 44.88,239 1.909,240 1.463,241 2,242 2.238,243 2.238,244 34,245 57.412,246 39.307,248 6.749,249 1.168,250 3.803,251 13.152,252 329.591,253 1.513,254 172,255 1.669,256 12.361,257 2.551,258 2.551,259 4.133,261 10.776,262 0.048,263 0.92,264 1.074,265 8.067,266 4.994,267 6,268 0.869,269 13,270 3.807,271 3,272 0.86,273 3.582,274 2.73,275 2.73,276 5.211,277 164.219,278 18.837,279 5.5}
{0 CHEMBL198123,1 13.915,3 23.407,4 106.472,6 0.035,7 0.379,8 1.618,9 1.2,10 1.241,12 0.56,13 0.8,14 0.8,15 3,17 0.239,18 0.987,19 0.476,20 1.937,22 4.716,23 4.716,24 0.043,26 1.833,27 3.361,28 4,29 1.746,30 -2.95,31 0.156,32 5.211,33 20.622,34 7.474,35 0.066,36 0.102,37 0.405,39 13,40 7.148,41 0.697,42 3.496,43 3.199,44 1,45 0.768,46 5.023,47 6.281,48 6.281,49 9,52 5.023,54 10.3,55 1.671,56 3.739,57 3.739,58 85.475,59 3.217,60 3.602,61 0.262,62 0.842,63 1.6,64 0.695,66 111.74,67 -0.838,68 -1.93,69 -1.93,70 2.57,71 25.189,72 2.773,73 1.706,74 2.608,75 75.811,76 8,77 -0.131,78 0.848,79 7.687,80 0.65,81 0.673,82 7.186,83 1.001,84 4.687,85 4.687,86 4.687,87 4.554,88 3.553,89 6.241,90 4,91 5.414,92 0.188,93 3.462,94 18.929,95 4.328,97 3,98 8.08,99 4.936,100 3.663,101 3.039,102 10.387,103 10.387,104 10.387,105 10.387,106 10.387,107 0.054,108 13.938,109 0.613,110 0.967,111 12.83,112 0.279,113 3.759,114 5.851,115 12.516,116 12.516,117 12.516,118 12.516,119 12.516,120 11.208,121 1.644,122 0.225,123 4.64,125 -3.06,126 6.437,127 4.376,128 74.93,130 1.11,131 0.157,132 -3.06,133 3.416,134 3.414,135 3.414,138 1.254,140 3.067,141 3.067,142 1.164,144 2.279,145 0.496,146 3.706,147 1.055,148 3.391,149 4.189,151 2,152 9.277,153 -2,154 -2,155 30.671,156 1.626,157 0.33,158 1,159 1.095,160 0.203,162 3.687,163 7.37,164 0.125,165 4.618,167 3.547,168 -2.722,169 -2.722,170 1,171 -1,172 -1,173 11.114,174 10,175 -1.477,176 -1.477,177 -0.363,178 29.06,179 -0.067,180 6.107,181 1.921,182 23.206,183 21.676,184 0.268,185 1.112,186 3.481,187 0.932,188 0.082,189 2.277,190 2.807,191 3.091,192 3.091,193 21,194 3.761,195 7.178,196 7.178,197 0.366,198 -0.726,199 1.341,200 -0.57,201 -0.598,202 -0.598,204 3.256,205 1.533,206 -0.029,207 3.238,208 3.059,209 1.118,210 -0.919,211 0.872,212 4.073,213 0.325,215 1.064,216 0.772,217 0.804,218 3.249,219 1.504,221 0.558,222 2.426,223 -0.024,224 -0.024,225 3.597,226 0.405,227 1.009,228 -3,229 -3,230 32.13,231 78.192,232 4.082,233 4.654,234 104,235 4.6,239 1.924,240 -0.1,242 1.335,243 1.335,244 20,245 33.074,246 25.364,247 4,248 6.427,249 0.91,250 3.602,251 7.824,252 176.567,253 0.983,254 58,255 1.431,256 6.09,257 2.245,258 2.245,259 3.633,260 1,261 7.605,262 0.075,263 1.894,264 1.001,265 4.593,266 4.565,267 2,268 1.181,269 11,270 3.585,273 3.466,274 2.183,275 2.183,276 4.773,277 82.439,278 20.135,279 5}
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{0 CHEMBL198440,1 19.236,3 54.995,4 81.663,6 10.765,7 3.601,8 0.701,9 3.527,10 1.296,12 0.004,13 2.047,14 2.047,15 7,16 1,17 4.706,18 1.224,19 0.353,22 4.485,23 4.485,24 10.077,26 2.501,27 6.253,28 4,29 1.965,30 -3.52,31 5.967,32 5.34,33 28.354,34 8.201,35 8.678,36 7.303,37 -0.005,38 2,39 23,40 13.821,41 1.064,42 3.952,43 3.627,44 2,45 1.139,46 24.333,47 6.964,48 6.964,49 23,50 1,51 1.626,52 9.373,53 1,54 7,55 1.267,56 3.803,57 3.803,58 141.31,59 3.558,60 4.013,61 1.984,62 1.059,63 14.068,64 2.262,66 66.334,67 1.205,68 2.509,69 2.509,70 2.76,71 10.883,72 2.981,73 1.876,74 2.754,75 111.319,76 14,77 -0.017,78 1.328,79 6.971,80 0.648,81 2.849,82 10.562,83 1.421,84 3.971,85 3.971,86 3.971,87 5.048,88 3.996,89 10.29,90 7,91 6.051,92 5.073,93 5.862,94 19.02,95 4.835,97 7,98 14.246,99 8.324,100 3.89,101 2.751,102 16.721,103 16.721,104 16.721,105 16.721,106 16.721,107 9.342,108 21.911,109 1.424,110 1.376,111 22.77,112 0.21,113 3.801,114 10.108,115 21.146,116 21.146,117 21.146,118 21.146,119 21.146,120 17.997,121 1.851,122 0.132,123 26.867,125 -3.7,126 7.446,127 4.252,128 62.32,130 1.183,131 0.096,132 -3.73,133 3.659,134 4.051,135 4.051,136 2,137 1.713,138 1.778,139 13.587,140 3.379,141 3.379,142 1.429,144 2.796,145 1.574,146 4.167,147 1.513,148 3.684,149 4.888,150 1.478,151 3,152 15.063,153 2.236,154 2.236,155 47.675,156 1.738,157 0.204,159 1.104,160 0.124,162 3.959,163 8.607,164 6.5,165 5.303,166 1.94,167 3.933,168 2.136,169 2.136,170 4,171 1,172 1,173 19.459,174 17,175 3.161,176 3.161,177 -0.273,178 26.382,179 0.07,180 10.178,181 1.992,182 21.15,183 19.84,184 3.624,185 1.059,186 3.806,187 0.97,188 7.921,189 3.479,190 3.17,191 3.555,192 3.555,193 34,194 4.234,195 8.577,196 8.577,197 2.206,198 1.55,199 1.377,200 1.196,201 1.231,202 1.231,204 3.485,205 1.547,206 1.745,207 4.013,208 3.472,209 1.437,210 0.932,211 1.113,212 4.45,213 2.125,214 1,215 0.894,216 2.549,217 1.065,218 3.626,219 1.825,221 0.341,222 3.67,223 1.491,224 1.491,225 3.895,226 0.754,227 0.508,228 1.03,229 1.03,230 50.763,231 113.848,232 3.841,233 5.094,234 162,235 5.011,236 1,237 1,238 14.96,239 1.868,240 0.96,242 1.807,243 1.807,244 31,245 52.434,246 36.909,248 6.27,249 1.153,250 3.844,251 11.6,252 273.924,253 1.288,254 145,255 1.761,256 11.327,257 2.515,258 2.515,259 4.028,261 9.183,262 0.052,263 0.632,264 0.994,265 7.56,266 4.898,267 5,268 0.851,269 14,270 3.907,271 4,272 0.86,273 3.689,274 2.521,275 2.521,276 5.106,277 149.58,278 18.434,279 5}
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{0 CHEMBL198463,1 1.358,3 78.796,4 71.213,6 3.279,7 2.068,8 0.398,9 2.38,10 5.563,12 -0.083,13 1.257,14 1.257,15 4,17 2.18,18 1.113,19 0.421,22 4.648,23 4.648,24 3.441,26 2.202,27 4.848,28 1,29 1.961,30 -3.26,31 2.408,32 5.772,33 30.955,34 7.428,35 3.06,36 2.709,37 0.22,38 1,39 25,40 14.017,41 1.064,42 4.073,43 3.752,44 1,45 1.153,46 46.068,47 7.854,48 7.854,49 29,51 0.916,52 46.068,54 1.6,55 1.057,56 4.352,57 4.352,58 159.73,59 3.657,60 4.238,61 2.303,62 1.191,63 9.889,64 2.739,66 47.381,67 1.826,68 3.516,69 3.516,70 2.934,71 8.396,72 3.111,73 1.832,74 2.941,75 85.284,76 15,77 -0.034,78 1.63,79 7.447,80 0.681,81 2.168,82 12.366,83 1.429,84 4.447,85 4.447,86 4.447,87 5.094,88 4.175,89 11.567,90 6,91 5.785,92 1.482,93 6.311,94 19.259,95 4.822,97 5,98 15.121,99 9.192,100 4.033,101 3.03,102 18.775,103 18.775,104 18.775,105 18.775,106 18.775,107 2.797,108 24.302,109 1.404,110 1.376,111 26.353,112 0.195,113 3.992,114 11.232,115 22.878,116 22.878,117 22.878,118 22.878,119 22.878,120 21.037,121 1.793,122 0.122,123 22.504,124 1,125 -3.41,126 4.995,127 4.533,128 57.5,130 1.351,131 0.087,132 -3.43,133 3.654,134 3.785,135 3.785,136 1,137 2.081,138 2.04,140 3.164,141 3.164,142 1.457,143 1,144 3.147,145 1.609,146 4.257,147 1.513,148 3.63,149 4.997,150 2,151 3,152 16.17,153 2.796,154 2.796,155 54.554,156 1.746,157 0.184,159 1.291,160 0.112,162 4.21,163 8.751,164 1.876,165 5.494,166 1.967,167 4.072,168 2.275,169 2.275,170 2,171 1,172 1,173 20.796,174 18,175 3.625,176 3.625,177 -0.322,178 35.258,179 0.003,180 10.111,181 2.002,182 22.929,183 21.459,184 1.178,185 0.974,186 3.969,187 1.039,188 2.324,189 4.036,190 3.459,191 3.664,192 3.664,193 38,194 4.344,195 8.651,196 8.651,197 2.528,198 1.95,199 1.613,200 1.495,201 1.568,202 1.568,203 4.494,204 3.46,205 1.561,206 2.035,207 3.942,208 3.532,209 1.417,210 0.965,211 1.229,212 4.598,213 0.931,215 0.976,216 2.852,217 1.138,218 3.793,219 1.767,220 31.278,221 0.312,222 4.211,223 1.618,224 1.618,225 3.877,226 1.142,227 0.517,228 2.021,229 2.021,230 58.638,231 133.611,232 4.039,233 5.231,234 186,235 5.165,239 2.013,240 1.659,242 2.23,243 2.23,244 33,245 59.265,246 41.512,248 6.689,249 1.201,250 3.807,251 12.28,252 306.049,253 1.462,254 143,255 1.702,256 13.279,257 2.597,258 2.597,259 4.172,261 11.534,262 0.044,263 1.792,264 1.093,265 7.822,266 5.03,267 5,268 1.132,269 18,270 4.248,272 0.8,273 3.622,274 2.608,275 2.608,276 5.274,277 160.465,278 19.964,279 8.921}
{0 CHEMBL198580,1 43.05,2 2,3 29.85,4 46.28,6 0.236,7 1.496,8 0.517,9 2.117,10 1.989,12 -0.014,13 1.058,14 1.058,15 7,16 2,17 1.507,18 0.94,19 0.548,21 1,22 4.291,23 4.291,24 1.744,25 2,26 4.634,27 21.471,28 1,29 1.836,30 -5.33,31 1.547,32 5.663,33 21.965,34 8.24,35 1.67,36 1.603,37 -0.033,38 1,39 22,40 8.534,41 0.884,42 3.742,43 3.566,44 2,45 0.922,46 51.055,47 7.794,48 7.794,49 22,50 2,51 0.916,52 21.135,54 2.1,55 0.883,56 3.871,57 3.871,58 156.784,59 3.722,60 4.01,61 1.78,62 1.125,63 4.294,64 2.302,66 92.935,67 1.19,68 1.991,69 1.991,70 2.715,72 2.857,73 1.897,74 2.733,75 126.797,76 17,77 0.079,78 1.384,79 6.936,80 0.7,81 1.557,82 17.691,83 1.151,84 3.936,85 3.936,86 3.936,87 4.685,88 3.944,89 9.157,90 10,91 5.574,92 0.384,93 5.327,94 15.438,95 4.447,97 9,98 12.64,99 7.322,100 3.947,101 2.727,102 15.299,103 15.299,104 15.299,105 15.299,106 15.299,107 0.273,108 19.788,109 1.236,110 1.118,111 20.978,112 0.218,113 3.864,114 8.908,115 18.963,116 18.963,117 18.963,118 18.963,119 18.963,120 16.647,121 1.872,122 0.138,123 26.862,125 -5.72,126 8.161,127 4.222,128 32.34,130 1.094,131 0.095,132 -5.86,133 3.708,134 3.574,135 3.574,136 1,137 1.487,138 1.794,139 26.406,140 3.525,141 3.525,142 1.246,144 2.856,145 1.311,146 4.069,147 1.252,148 3.699,149 4.748,150 0.976,152 13.581,153 1.733,154 1.733,155 44.02,156 1.703,157 0.199,159 1.188,160 0.126,162 3.88,163 8.268,164 0.351,165 5.236,166 1.462,167 3.755,168 1.372,169 1.372,171 0.618,172 0.618,173 16.761,174 17.5,175 2.275,176 2.275,177 -0.028,178 26.027,179 -0.061,180 7.657,181 2.003,182 21.222,183 19.917,184 0.393,185 0.866,186 3.865,187 1.012,188 0.312,189 3.292,190 3.392,191 3.466,192 3.466,193 31,194 4.143,195 8.413,196 8.413,197 2,198 1.5,199 1.425,200 1,201 1,202 1,204 3.623,205 1.539,206 1.627,207 3.559,208 3.374,209 1.207,210 0.506,211 1.063,212 4.377,213 0.325,215 1.025,216 2.5,217 0.97,218 3.61,219 1.613,220 31.278,221 0.295,222 3.414,223 1.254,224 1.254,225 3.861,226 0.862,227 0.495,228 0.628,229 0.628,230 46.815,231 109.137,232 3.919,233 5.004,234 148,235 4.958,236 2,237 2,238 29.92,239 1.912,240 0.722,242 1.905,243 1.905,244 28,245 46.914,246 33.603,247 1,248 6.022,249 1.016,250 3.816,251 10.451,252 230.029,253 1.181,254 114,255 1.555,256 10.416,257 2.607,258 2.607,259 3.825,261 9.205,262 0.043,263 1.528,264 0.961,265 6.962,266 4.646,267 6,268 1.099,269 18,270 4.248,271 9,272 0.172,273 3.73,274 2.775,275 2.775,276 4.877,277 130.606,278 18.511,279 7.796}
{0 CHEMBL198599,1 7.164,2 4,3 49.446,4 78.735,6 9.674,7 2.953,8 0.496,9 3.306,10 5.823,12 0.048,13 1.907,14 1.907,15 6,17 4.047,18 1.189,19 0.471,22 4.563,23 4.563,24 9.051,25 3,26 3.641,27 13.256,28 2,29 1.956,30 -4.48,31 5.252,32 5.675,33 29.152,34 7.429,35 7.771,36 6.502,37 0.063,38 1,39 24,40 14.393,41 1.064,42 4.063,43 3.666,44 2,45 1.14,46 43.856,47 7.494,48 7.494,49 25,51 0.8,52 43.856,54 3.4,55 1.121,56 4.142,57 4.142,58 160.717,59 3.558,60 4.131,61 2.041,62 1.127,63 7.312,64 2.495,65 1,66 56.857,67 1.493,68 2.613,69 2.613,70 2.91,71 17.65,72 3.111,73 1.925,74 2.941,75 86.737,76 14,77 -0.035,78 1.614,79 7.49,80 0.656,81 2.194,82 12.497,83 1.398,84 4.49,85 4.49,86 4.49,87 5.091,88 4.078,89 10.702,90 6,91 5.668,92 4.414,93 5.674,94 18.089,95 4.822,97 6,98 14.059,99 8.579,100 4.028,101 3.057,102 16.807,103 16.807,104 16.807,105 16.807,106 16.807,107 8.374,108 21.972,109 1.359,110 1.376,111 23.175,112 0.208,113 3.946,114 10.402,115 20.463,116 20.463,117 20.463,118 20.463,119 20.463,120 18.866,121 1.904,122 0.134,123 33.608,124 1,125 -4.78,126 5.265,127 4.488,128 61.61,130 1.28,131 0.093,132 -4.87,133 3.606,134 3.668,135 3.668,136 1,137 1.826,138 2.07,140 2.979,141 2.979,142 1.429,143 1,144 3.138,145 1.544,146 4.152,147 1.48,148 3.614,149 4.848,150 1.456,151 1,152 14.581,153 2.275,154 2.275,155 50.482,156 1.723,157 0.197,159 1.307,160 0.122,161 1,162 4.175,163 8.487,164 5.75,165 5.302,166 1.707,167 4.015,168 1.769,169 1.769,170 1,171 0.721,172 0.721,173 18.424,174 16.5,175 3.52,176 3.52,177 -0.135,178 36.479,179 -0.063,180 9.816,181 2.036,182 22.789,183 21.32,184 3.061,185 1.006,186 3.953,187 1.009,188 7.068,189 3.568,190 3.322,191 3.555,192 3.555,193 34,194 4.234,195 7.8,196 7.8,197 2.423,198 1.637,199 1.552,200 1.41,201 1.445,202 1.445,203 4.302,204 3.473,205 1.545,206 1.951,207 3.941,208 3.44,209 1.43,210 0.709,211 1.095,212 4.547,213 1.738,215 1.029,216 2.624,217 1.077,218 3.697,219 1.761,221 0.32,222 4.036,223 1.541,224 1.541,225 3.859,226 0.785,227 0.544,228 1.199,229 1.199,230 52.135,231 119.924,232 3.977,233 5.118,234 166,235 5.05,239 1.982,240 1.2,241 2,242 2.171,243 2.171,244 30,245 52.688,246 38.069,247 1,248 6.704,249 1.153,250 3.791,251 11.139,252 294.278,253 1.373,254 116,255 1.693,256 11.546,257 2.45,258 2.45,259 4.118,261 12.181,262 0.041,263 1.16,264 0.85,265 6.903,266 5.046,267 5,268 1.197,269 17,270 4.17,271 4,272 0.8,273 3.606,274 2.76,275 2.76,276 5.299,277 143.207,278 19.824,279 9.553}
{0 CHEMBL198617,1 13.915,2 4,3 42.683,4 62.593,6 0.035,7 0.379,8 1.703,9 1.2,10 1.577,12 -0.117,13 0.8,14 0.8,15 3,17 0.239,18 1.284,19 0.588,22 4.615,23 4.615,24 0.043,25 5,26 1.851,27 3.425,28 1,29 1.747,30 -2.96,31 0.156,32 4.649,33 10.871,34 6.47,35 0.066,36 0.102,37 0.223,39 13,40 5.096,41 0.475,42 2.993,43 3.05,44 1,45 0.589,46 19.91,47 5.14,48 5.14,49 9,52 19.91,54 2.9,55 1.159,56 2.834,57 2.834,58 89.256,59 3.032,60 3.48,61 -0.1,62 0.864,63 1.6,64 0.072,66 37.476,67 -1.069,68 -2.187,69 -2.187,70 2.242,71 16.793,72 2.418,73 1.718,74 2.258,75 62.172,76 8,77 -0.033,78 0.501,79 7.581,80 0.634,81 0.673,82 7.591,83 0.911,84 4.581,85 4.581,86 4.581,87 4.154,88 3.406,89 5.535,90 4,91 5.266,92 0.188,93 3.011,94 17.723,95 3.852,97 3,98 7.427,99 4.49,100 3.697,101 2.133,102 8.388,103 8.388,104 8.388,105 8.388,106 8.388,107 0.054,108 11.538,109 0.464,110 0.856,111 11.038,112 0.301,113 3.524,114 5.315,115 10.621,116 10.621,117 10.621,118 10.621,119 10.621,120 9.24,121 1.654,122 0.271,123 7.175,125 -3.08,126 4.905,127 3.475,128 39.26,130 0.831,131 0.186,132 -3.08,133 3.258,134 3.266,135 3.266,137 -0.38,138 0.973,140 2.757,141 2.757,142 1.058,144 1.975,145 -0.123,146 3.502,147 1.038,148 3.296,149 3.918,150 -0.425,152 7.682,153 -3.28,154 -3.28,155 24.04,156 1.549,157 0.398,159 1.1,160 0.244,162 3.144,163 6.674,164 0.125,165 3.89,166 -0.485,167 2.958,168 -3.677,169 -3.677,171 -1.421,172 -1.421,173 9.419,174 8.5,175 -2,176 -2,177 -0.154,178 10.828,179 -0.182,180 3.166,181 1.93,182 22.827,183 21.312,184 0.268,185 1.073,186 3.518,187 0.938,188 0.082,189 1.867,190 2.585,191 2.89,192 2.89,193 17,194 3.555,195 5.665,196 5.665,197 0.104,198 -1,199 1.15,200 -0.835,201 -0.866,202 -0.866,204 3.038,205 1.464,206 -0.459,207 2.844,208 2.852,209 1.079,210 -1.338,211 1.448,212 3.781,213 0.325,215 1.134,216 0.489,217 0.727,218 3.095,219 1.505,221 0.65,222 2,223 -0.357,224 -0.357,225 3.515,226 0.81,227 1.009,228 -4.295,229 -4.295,230 25.322,231 66.737,232 3.549,233 4.394,234 80,235 4.337,239 1.915,240 -0.919,242 1,243 1,244 16,245 26.181,246 21.557,248 5.138,249 0.77,250 3.453,251 5.908,252 164.795,253 0.991,254 42,255 1.428,256 5.245,257 1.956,258 1.956,259 3.147,260 1,261 3.645,262 0.061,263 0.739,264 1.169,265 3.734,266 4.149,267 2,268 0.774,269 10,270 3.459,273 3.295,274 1.766,275 1.766,276 4.469,277 62,278 19.781,279 6.231}
{0 CHEMBL198712,1 42.778,3 25.145,4 56.518,6 8.309,7 2.778,8 0.659,9 3.026,10 1.961,12 -0.024,13 1.741,14 1.741,15 7,16 1,17 3.569,18 1.23,19 0.364,22 4.435,23 4.435,24 7.779,26 2.854,27 8.144,28 3,29 1.963,30 -3.82,31 4.547,32 5.34,33 27.117,34 8.201,35 6.683,36 5.6,37 -0.013,38 2,39 23,40 13.303,41 1.055,42 3.926,43 3.608,44 2,45 1.123,46 24.333,47 6.964,48 6.964,49 23,50 1,51 0.86,52 9.373,53 1,54 5.4,55 1.247,56 3.771,57 3.771,58 152.595,59 3.557,60 3.997,61 1.984,62 1.06,63 10.595,64 2.212,66 66.334,67 1.165,68 2.458,69 2.458,70 2.759,71 10.883,72 2.977,73 1.877,74 2.754,75 124.709,76 15,77 -0.01,78 1.269,79 6.969,80 0.651,81 2.398,82 11.336,83 1.389,84 3.969,85 3.969,86 3.969,87 5.004,88 3.971,89 10.057,90 7,91 5.868,92 3.783,93 5.75,94 18.374,95 4.791,97 7,98 13.893,99 8.161,100 3.888,101 2.728,102 16.231,103 16.231,104 16.231,105 16.231,106 16.231,107 7.191,108 21.356,109 1.391,110 1.376,111 22.364,112 0.211,113 3.8,114 9.875,115 20.646,116 20.646,117 20.646,118 20.646,119 20.646,120 17.447,121 1.851,122 0.134,123 42.857,125 -4.03,126 7.428,127 4.228,128 48.63,130 1.311,131 0.097,132 -4.08,133 3.642,134 3.868,135 3.868,136 1,137 1.73,138 1.672,139 13.547,140 3.36,141 3.36,142 1.429,144 2.715,145 1.43,146 4.138,147 1.513,148 3.684,149 4.851,150 1.312,151 3,152 14.652,153 2.236,154 2.236,155 45.868,156 1.728,157 0.205,159 1.09,160 0.125,162 3.918,163 8.507,164 4.933,165 5.23,166 1.914,167 3.868,168 2.136,169 2.136,170 3,171 0.966,172 0.966,173 18.934,174 16.5,175 2.77,176 2.77,177 -0.273,178 24.653,179 0.067,180 9.843,181 1.989,182 21.099,183 19.793,184 2.625,185 1.053,186 3.804,187 0.977,188 6.067,189 3.471,190 3.17,191 3.526,192 3.526,193 33,194 4.205,195 8.492,196 8.492,197 2.142,198 1.55,199 1.37,200 1.13,201 1.145,202 1.145,204 3.485,205 1.515,206 1.709,207 3.989,208 3.44,209 1.416,210 0.911,211 1.103,212 4.395,213 1.494,214 1,215 0.895,216 2.549,217 1.064,218 3.614,219 1.825,221 0.332,222 3.669,223 1.239,224 1.239,225 3.894,226 0.829,227 0.522,228 1.024,229 1.024,230 49.097,231 112.996,232 3.838,233 5.056,234 156,235 4.977,236 1,237 1,238 14.96,239 1.865,240 0.904,242 1.748,243 1.748,244 30,245 50.394,246 36.455,248 6.222,249 1.153,250 3.843,251 11.158,252 273.924,253 1.285,254 136,255 1.761,256 10.989,257 2.515,258 2.515,259 3.969,261 8.874,262 0.04,263 0.765,264 0.978,265 7.337,266 4.825,267 5,268 0.854,269 14,270 3.907,271 4,272 0.86,273 3.69,274 2.521,275 2.521,276 5.047,277 143.207,278 18.384,279 6}
{0 CHEMBL198949,1 14.96,2 2,3 59.699,4 74.549,6 9.674,7 3.124,8 0.955,9 3.306,10 2.6,12 0.037,13 1.907,14 1.907,15 7,16 1,17 4.128,18 0.815,19 0.375,22 4.298,23 4.298,24 9.053,25 3,26 3.492,27 12.191,28 2,29 1.945,30 -4.36,31 5.286,32 5.204,33 28.921,34 8.201,35 7.776,36 6.515,37 -0.047,38 2,39 23,40 12.842,41 0.829,42 4.003,43 3.604,44 2,45 0.903,46 39.219,47 6.507,48 6.507,49 18,50 2,51 1.2,52 24.259,54 3.6,55 1.06,56 3.62,57 3.62,58 166.778,59 3.636,60 4.01,61 2,62 1.108,63 9.275,64 2.447,66 85.286,67 1.359,68 2.275,69 2.275,70 2.779,71 17.65,72 2.935,73 1.913,74 2.772,75 97.493,76 16,77 -0.173,78 1.389,79 6.943,80 0.67,81 2.436,82 11.655,83 1.171,84 3.943,85 3.943,86 3.943,87 4.995,88 3.962,89 9.744,90 7,91 5.661,92 4.435,93 5.553,94 16.371,95 4.762,97 7,98 13.472,99 7.804,100 3.927,101 2.798,102 15.782,103 15.782,104 15.782,105 15.782,106 15.782,107 8.376,108 20.982,109 1.419,110 1.149,111 20.69,112 0.22,113 3.853,114 9.417,115 19.67,116 19.67,117 19.67,118 19.67,119 19.67,120 16.934,121 1.884,122 0.134,123 29.558,125 -4.64,126 7.431,127 4.102,128 52.65,129 1,130 0.958,131 0.094,132 -4.72,133 3.531,134 3.661,135 3.661,136 2,137 1.394,138 1.943,139 13.078,140 3.269,141 3.269,142 1.39,144 3.037,145 1.648,146 4.119,147 1.427,148 3.665,149 4.82,150 0.985,152 14.313,153 1.538,154 1.538,155 44.948,156 1.725,157 0.2,159 1.127,160 0.124,162 4.096,163 8.488,164 5.76,165 4.966,166 1.186,167 3.972,168 0.588,169 0.588,170 1,171 0.237,172 0.237,173 17.675,174 17,175 3.109,176 3.109,177 -0.16,178 33.825,179 -0.016,180 9.682,181 2.008,182 20.856,183 19.575,184 3.098,185 0.98,186 3.852,187 0.958,188 7.073,189 3.414,190 3.322,191 3.497,192 3.497,193 32,194 4.174,195 7.713,196 7.713,197 2.203,198 1.5,199 1.418,200 1.189,201 1.231,202 1.231,204 3.358,205 1.54,206 1.871,207 3.909,208 3.44,209 1.364,210 0.22,211 0.906,212 4.405,213 1.738,215 1.007,216 2.5,217 1.078,218 3.633,219 1.776,221 0.304,222 3.89,223 1.429,224 1.429,225 3.865,226 0.812,227 0.521,230 48.142,231 117.935,232 3.889,233 5.03,234 152,235 4.977,236 1,237 1,238 14.96,239 1.907,240 0.758,241 2,242 2.099,243 2.099,244 30,245 49.025,246 36.858,247 1,248 6.186,249 1.148,250 3.816,251 11.126,252 262.153,253 1.242,254 146,255 1.72,256 10.046,257 2.351,258 2.351,259 4.031,261 10.894,262 0.045,263 0.905,264 1.04,265 7.382,266 4.939,267 5,268 0.97,269 15,270 4,271 5,272 0.916,273 3.653,274 2.769,275 2.769,276 5.186,277 143.207,278 18.163,279 6}
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{0 CHEMBL2022154,3 43.336,4 50.269,6 13.391,7 3.874,8 1.647,9 4.174,10 1.21,12 0.035,13 2.443,14 2.443,15 7,17 5.491,18 1.048,19 0.367,22 4.499,23 4.499,24 12.512,26 3.604,27 12.988,28 3,29 1.935,30 -4.45,31 7.209,32 5.27,33 35.799,34 7.432,35 10.734,36 8.963,37 0.032,39 24,40 18.375,41 1.194,42 4.141,43 3.625,44 2,45 1.248,46 3.124,47 6.64,48 6.64,49 15,51 0.86,52 3.124,54 4.9,55 1.278,56 3.15,57 3.15,58 128.271,59 3.385,60 4.072,61 1.753,62 1.204,63 8.778,64 2.01,66 66.334,67 0.899,68 1.75,69 1.75,70 2.967,71 17.65,72 3.084,73 1.751,74 2.981,75 81.857,76 11,77 -0.076,78 1.511,79 7.431,80 0.632,81 2.601,82 14.702,83 1.483,84 4.431,85 4.431,86 4.431,87 5.247,88 3.983,89 10.566,90 7,91 5.805,92 6.159,93 5.407,94 17.132,95 5.028,97 7,98 13.249,99 8.521,100 3.865,101 2.751,102 14.697,103 14.697,104 14.697,105 14.697,106 14.697,107 11.599,108 20.697,109 1.603,110 1.465,111 20.167,112 0.223,113 3.716,114 10.29,115 19.361,116 19.361,117 19.361,118 19.361,119 19.361,120 16.952,121 1.712,122 0.15,123 25.64,125 -4.74,126 4.896,127 3.97,128 38.77,130 1.47,131 0.102,132 -4.83,133 3.619,134 3.805,135 3.805,136 1,137 1.237,138 1.618,140 2.85,141 2.85,142 1.622,144 2.618,145 1.27,146 4.058,147 1.655,148 3.548,149 4.752,150 1.179,152 13.707,153 1.372,154 1.372,155 41.405,156 1.717,157 0.217,159 1.273,160 0.135,162 4.157,163 8.343,164 7.992,165 5.176,166 1.516,167 4.051,168 0.791,169 0.791,170 1,171 0.618,172 0.618,173 17.944,174 11.5,175 2.181,176 2.181,177 -0.142,178 36.12,179 0.037,180 13.145,181 1.956,182 22.331,183 20.86,184 4.273,185 1.154,186 3.718,187 0.938,188 9.802,189 3.181,190 2.907,191 3.434,192 3.434,193 30,194 4.111,195 6.821,196 6.821,197 1.97,198 1.168,199 1.489,200 0.964,201 0.977,202 0.977,204 3.473,205 1.483,206 1.282,207 4.206,208 3.374,209 1.584,210 0.548,211 1.167,212 4.306,213 2.283,215 0.93,216 2.193,217 1.256,218 3.682,219 1.694,221 0.342,222 3.348,223 1.164,224 1.164,225 3.822,226 1.53,227 0.622,228 0.116,229 0.116,230 42.746,231 113.766,232 3.757,233 4.934,234 138,235 4.834,239 2.068,240 0.953,241 2,242 1.618,243 1.618,244 28,245 44.359,246 38.552,248 6.059,249 1.345,250 3.749,251 10.466,252 247.193,253 1.507,254 118,255 1.619,256 9.671,257 2.404,258 2.404,259 4.081,261 12.053,262 0.039,263 1.792,264 0.943,265 5.329,266 5.099,267 1,268 0.838,269 12,270 3.7,271 6,272 0.8,273 3.542,274 2.432,275 2.432,276 5.354,277 128.606,278 19.355,279 6.683}
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{0 CHEMBL2022269,1 4.815,3 30.885,4 65.706,6 0.843,7 1.412,8 0.405,9 1.954,10 3.552,12 -0.027,13 1.032,14 1.032,15 3,17 1.298,18 0.789,19 0.48,21 1,22 4.508,23 4.508,24 1.139,26 2.519,27 6.347,28 1,29 1.88,30 -3.53,31 1.228,32 4.969,33 25.291,34 5.084,35 1.153,36 1.182,37 0.013,39 16,40 9.37,41 0.608,42 3.71,43 3.304,44 1,45 0.711,46 54.706,47 5.823,48 5.823,49 21,50 1,51 0.86,52 54.706,54 2.7,55 0.989,56 3.77,57 3.77,58 141.386,59 3.433,60 3.701,61 1.137,62 0.959,63 5.627,64 1.548,65 1,66 65.392,67 0.321,68 0.673,69 0.673,70 2.526,72 2.712,73 1.845,74 2.519,75 69.21,76 12,77 -0.046,78 0.975,79 7.131,80 0.7,81 1.649,82 11.092,83 0.976,84 4.131,85 4.131,86 4.131,87 4.518,88 3.68,89 7.202,90 6,91 5.498,92 0.529,93 4.405,94 18.155,95 4.232,97 5,98 10.084,99 5.788,100 3.796,101 2.641,102 12.397,103 12.397,104 12.397,105 12.397,106 12.397,107 0.775,108 15.678,109 0.613,110 0.942,111 17.394,112 0.24,113 3.714,114 7.067,115 15.292,116 15.292,117 15.292,118 15.292,119 15.292,120 13.067,121 1.816,122 0.18,123 8.423,125 -3.71,126 4.862,127 4.147,128 54.19,130 1.071,131 0.127,132 -3.75,133 3.228,134 3.498,135 3.498,136 1,137 0.617,138 1.438,140 3.042,141 3.042,142 1.067,144 2.464,145 1.203,146 3.854,147 1.025,148 3.56,149 4.418,150 0.424,152 10.81,153 -0.318,154 -0.318,155 34.57,156 1.655,157 0.269,159 1.042,160 0.165,162 3.854,163 7.666,164 0.62,165 4.779,166 0.397,167 3.757,168 -1.168,169 -1.168,170 2,171 -0.468,172 -0.468,173 13.644,174 14.5,175 2.033,176 2.033,177 -0.27,178 22.316,179 0.024,180 6.926,181 1.952,182 21.499,183 20.137,184 0.43,185 0.867,186 3.712,187 1.029,188 0.701,189 3.012,190 3,191 3.258,192 3.258,193 25,194 3.932,195 7.877,196 7.877,197 1.729,198 1,199 1.091,200 0.739,201 0.791,202 0.791,203 4.367,204 3.063,205 1.524,206 1.053,207 3.307,208 3.149,209 1.07,210 -0.331,211 0.776,212 4.118,213 0.325,215 0.902,216 2,217 0.764,218 3.308,219 1.698,221 0.439,222 3.247,223 1,224 1,225 3.792,226 1.006,227 0.691,228 -1.753,229 -1.753,230 37.745,231 85.461,232 3.839,233 4.796,234 120,235 4.736,239 1.852,240 0.071,242 1.505,243 1.505,244 22,245 37.969,246 25.904,248 6.132,249 0.826,250 3.74,251 8.107,252 164.795,253 0.967,254 58,255 1.628,256 8.356,257 2.102,258 2.102,259 3.777,260 1,261 8,262 0.032,263 1.333,264 1.23,265 5.857,266 4.53,267 5,268 1.207,269 13,270 3.807,272 0.521,273 3.551,274 2.184,275 2.184,276 4.72,277 94.107,278 18.698,279 6.883}
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{0 CHEMBL2022273,1 4.815,3 30.885,4 50.82,6 0.858,7 1.507,8 0.343,9 1.954,10 3.667,12 0.034,13 1.032,14 1.032,15 3,17 1.368,18 0.683,19 0.375,22 4.509,23 4.509,24 1.153,26 3.873,27 15.002,28 1,29 1.925,30 -4.68,31 1.276,32 5.771,33 31.762,34 5.085,35 1.175,36 1.214,37 -0.046,39 22,40 13.188,41 0.981,42 4.064,43 3.602,44 1,45 1.052,46 39.82,47 7.847,48 7.847,49 27,50 1,51 0.86,52 39.82,54 1.9,55 1.092,56 3.77,57 3.77,58 139.173,59 3.715,60 4.066,61 2,62 1.042,63 6.427,64 2.093,66 47.381,67 1.033,68 2.275,69 2.275,70 2.893,72 3.065,73 1.865,74 2.904,75 69.21,76 12,77 0.008,78 1.47,79 7.131,80 0.674,81 1.765,82 11.302,83 1.273,84 4.131,85 4.131,86 4.131,87 4.914,88 4.007,89 10.195,90 6,91 5.502,92 0.644,93 5.556,94 18.165,95 4.65,97 5,98 13.027,99 8.195,100 3.902,101 2.696,102 15.851,103 15.851,104 15.851,105 15.851,106 15.851,107 0.8,108 20.701,109 1.068,110 1.255,111 22.364,112 0.211,113 3.776,114 10.004,115 19.516,116 19.516,117 19.516,118 19.516,119 19.516,120 17.882,121 1.841,122 0.141,123 21.095,125 -5,126 4.862,127 4.148,128 45.4,130 1.502,131 0.099,132 -5.1,133 3.689,134 3.502,135 3.502,136 1,137 1.552,138 1.739,140 3.057,141 3.057,142 1.429,144 2.893,145 1.403,146 4.094,147 1.457,148 3.704,149 4.769,150 1.196,152 13.776,153 2.15,154 2.15,155 44.999,156 1.713,157 0.21,159 1.261,160 0.129,162 4.227,163 8.325,164 0.689,165 4.969,166 1.758,167 4.082,168 2.136,169 2.136,170 2,171 0.812,172 0.812,173 17.868,174 14.5,175 2.715,176 2.715,177 -0.27,178 35.823,179 0.073,180 9.46,181 1.979,182 21.502,183 20.141,184 0.612,185 0.981,186 3.769,187 1.011,188 0.743,189 3.478,190 3,191 3.497,192 3.497,193 32,194 4.174,195 8.983,196 8.983,197 2.122,198 1.311,199 1.597,200 1.115,201 1.152,202 1.152,203 4.461,204 3.518,205 1.52,206 1.768,207 3.852,208 3.376,209 1.376,210 0.766,211 0.61,212 4.386,213 0.57,215 0.904,216 2.401,217 1.064,218 3.635,219 1.834,221 0.343,222 3.573,223 1.335,224 1.335,225 3.811,226 0.81,227 0.611,228 0.709,229 0.709,230 48.409,231 111.769,232 3.853,233 5.043,234 154,235 4.949,239 1.86,240 0.818,242 1.939,243 1.939,244 28,245 48.721,246 35.711,248 6.153,249 1.153,250 3.779,251 10.395,252 247.193,253 1.262,254 116,255 1.799,256 10.839,257 2.475,258 2.475,259 4.144,261 11.723,262 0.03,263 1.344,264 0.959,265 5.962,266 5.047,267 5,268 1.012,269 13,270 3.807,271 7,272 0.8,273 3.706,274 2.765,275 2.765,276 5.305,277 126.606,278 18.704,279 7.036}
{0 CHEMBL2022276,1 4.815,2 1,3 30.885,4 65.706,6 0.035,7 1.354,8 0.49,9 1.799,10 3.468,12 0.018,13 0.899,14 0.899,15 3,17 1.144,18 0.825,19 0.444,22 4.476,23 4.476,24 0.553,25 3,26 2.989,27 8.935,28 1,29 1.91,30 -3.93,31 0.964,32 5.209,33 26.661,34 5.088,35 0.671,36 0.808,37 0.022,39 18,40 11.414,41 0.763,42 3.898,43 3.411,44 1,45 0.825,46 54.706,47 6.436,48 6.436,49 21,50 1,51 0.86,52 54.706,54 2.3,55 1.034,56 3.764,57 3.764,58 150.641,59 3.553,60 3.833,61 1.29,62 0.973,63 5.652,64 1.606,66 65.392,67 0.456,68 0.973,69 0.973,70 2.641,71 8.396,72 2.799,73 1.851,74 2.649,75 77.606,76 12,77 -0.059,78 1.127,79 7.115,80 0.684,81 1.649,82 11.061,83 1.069,84 4.115,85 4.115,86 4.115,87 4.816,88 3.794,89 8.071,90 6,91 5.429,92 0.188,93 4.676,94 17.361,95 4.563,96 3,97 5,98 10.959,99 6.484,100 3.846,101 2.63,102 13.369,103 13.369,104 13.369,105 13.369,106 13.369,107 0.054,108 17.251,109 0.977,110 1.053,111 18.493,112 0.233,113 3.722,114 7.858,115 16.394,116 16.394,117 16.394,118 16.394,119 16.394,120 14.438,121 1.819,122 0.166,123 9.28,125 -4.16,126 4.863,127 4.134,128 54.19,130 0.846,131 0.116,132 -4.22,133 3.371,134 3.429,135 3.429,136 1,137 0.793,138 1.738,140 2.929,141 2.929,142 1.098,144 2.873,145 1.285,146 3.932,147 1.145,148 3.668,149 4.532,150 0.618,151 1,152 11.687,153 0.185,154 0.185,155 37.39,156 1.676,157 0.243,159 1.044,160 0.151,162 3.897,163 7.898,164 0.125,165 4.949,166 0.807,167 3.807,168 -0.325,169 -0.325,170 1,171 -0.125,172 -0.125,173 14.722,174 14.5,175 2.275,176 2.275,177 -0.247,178 24.854,179 0.221,180 8.403,181 1.952,182 21.446,183 20.088,184 0.268,185 0.924,186 3.719,187 1.002,188 0.082,189 3.081,190 3,191 3.332,192 3.332,193 27,194 4.007,195 7.422,196 7.422,197 1.98,198 1,199 1.222,200 0.976,201 1,202 1,203 4.372,204 3.161,205 1.514,206 1.475,207 3.727,208 3.23,209 1.109,210 -0.115,211 0.795,212 4.212,213 0.325,215 0.746,216 2,217 0.893,218 3.43,219 1.79,221 0.388,222 3.414,223 1.028,224 1.028,225 3.802,226 0.844,227 0.709,228 -1.055,229 -1.055,230 40.616,231 94.862,232 3.836,233 4.875,234 130,235 4.804,239 1.852,240 0.207,242 1.946,243 1.946,244 24,245 41.168,246 29.426,247 1,248 6.106,249 0.897,250 3.77,251 8.86,252 164.795,253 1.054,254 88,255 1.737,256 8.958,257 2.238,258 2.238,259 3.799,260 1,261 8.955,262 0.032,263 1.235,264 1.187,265 5.881,266 4.536,267 5,268 1.073,269 13,270 3.807,272 0.8,273 3.668,274 2.543,275 2.543,276 4.733,277 106.039,278 18.651,279 6.453}
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{0 CHEMBL2177130,1 2.144,2 3,3 46.513,4 64.72,5 1,6 0.035,7 1.379,8 0.659,9 2.117,10 1.944,12 0.051,13 1.058,14 1.058,15 9,17 1.406,18 1.176,19 0.485,20 1.94,21 1,22 4.694,23 4.694,24 1.698,25 1,26 3.541,27 12.535,28 1,29 2.027,30 -4.4,31 1.462,32 5.415,33 30.569,34 7.429,35 1.613,36 1.533,37 -0.093,38 1,39 25,40 17.048,41 1.048,42 4.105,43 3.682,44 2,45 1.127,46 39.575,47 6.966,48 6.966,49 21,51 0.8,52 39.575,54 1.6,55 1.157,56 3.445,57 3.445,58 173.902,59 3.551,60 4.142,61 2,62 1.211,63 3.717,64 2.463,65 1,66 85.286,67 1.434,68 2.275,69 2.275,70 2.91,71 17.65,72 3.111,73 1.93,74 2.941,75 97.894,76 14,77 0.034,78 1.591,79 7.641,80 0.647,81 1.435,82 18.673,83 1.376,84 4.641,85 4.641,86 4.641,87 5.189,88 4.06,89 11.03,90 9,91 5.617,92 0.188,93 5.85,94 18.971,95 4.898,96 1,97 9,98 14.219,99 8.92,100 3.948,101 2.602,102 16.299,103 16.299,104 16.299,105 16.299,106 16.299,107 0.054,108 22.101,109 1.462,110 1.368,111 22.364,112 0.211,113 3.869,114 10.715,115 20.482,116 20.482,117 20.482,118 20.482,119 20.482,120 18.516,121 1.896,122 0.142,123 34.037,125 -4.68,126 4.994,127 3.905,128 50.16,130 1.575,131 0.099,132 -4.77,133 3.591,134 3.617,135 3.617,136 1,137 1.871,138 2.034,140 3.22,141 3.22,142 1.429,144 3.092,145 1.476,146 4.138,147 1.513,148 3.719,149 4.851,150 1.616,152 14.614,153 2.136,154 2.136,155 48.164,156 1.721,157 0.209,159 1.222,160 0.129,161 1,162 4.149,163 8.47,164 0.125,165 5.333,166 1.764,167 4.015,168 1.827,169 1.827,171 0.78,172 0.78,173 18.515,174 15.5,175 2.664,176 2.664,177 -0.09,178 35.028,179 0.03,180 11.4,181 2.041,182 23.038,183 21.519,184 0.268,185 1.068,186 3.861,187 0.975,188 0.082,189 3.414,190 3.322,191 3.526,192 3.526,193 33,194 4.205,195 7.439,196 7.439,197 2.039,198 1.5,199 1.598,200 1.034,201 1.068,202 1.068,203 4.614,204 3.434,205 1.525,206 1.88,207 4.037,208 3.44,209 1.376,210 0.765,211 1.189,212 4.464,213 0.325,215 0.933,216 2.5,217 1.064,218 3.735,219 1.846,221 0.351,222 3.582,223 1.414,224 1.414,225 3.896,226 1.044,227 0.592,228 1.485,229 1.485,230 49.704,231 122.877,232 3.858,233 5.056,234 156,235 4.99,239 1.922,240 1.357,241 2,242 2.125,243 2.125,244 30,245 50.321,246 40.137,247 1,248 6.065,249 1.153,250 3.846,251 11.163,252 211.88,253 1.417,254 146,255 1.791,256 10.811,257 2.491,258 2.491,259 4.056,261 11.597,262 0.038,263 0.478,264 1.034,265 6.407,266 4.993,267 2,268 1.104,269 17,270 4.17,271 7,273 3.725,274 2.649,275 2.649,276 5.238,277 137.207,278 19.978,279 7.5}
{0 CHEMBL21790,2 4,3 71.252,4 103.396,6 0.035,7 1.622,8 1.237,9 2.117,10 8.514,12 0.07,13 1.058,14 1.058,15 10,17 1.587,18 0.96,19 0.59,22 4.441,23 4.441,24 1.742,25 3,26 4.944,27 24.438,28 3,29 1.915,30 -5.59,31 1.592,32 6.03,33 33.793,34 7.429,35 1.676,36 1.624,37 0.201,38 1,39 29,40 15.913,41 1.161,42 4.215,43 3.803,44 3,45 1.227,46 57.517,47 8.608,48 8.608,49 23,51 0.86,52 57.517,54 4.4,55 1.128,56 3.923,57 3.923,58 243.947,59 3.818,60 4.201,61 2.263,62 1.05,63 5.437,64 2.739,65 1,66 94.762,67 1.813,68 3.393,69 3.393,70 3.008,71 45.326,72 3.182,73 1.927,74 3.026,75 154.257,76 21,77 -0.101,78 1.686,79 7.146,80 0.662,81 1.737,82 19.476,83 1.496,84 4.146,85 4.146,86 4.146,87 5.214,88 4.154,89 11.818,90 10,91 5.574,92 0.188,93 6.628,94 16.894,95 4.986,97 10,98 16.668,99 9.542,100 3.952,101 2.871,102 19.168,103 19.168,104 19.168,105 19.168,106 19.168,107 0.054,108 25.518,109 1.625,110 1.482,111 25.66,112 0.197,113 3.874,114 11.319,115 24.11,116 24.11,117 24.11,118 24.11,119 24.11,120 20.34,121 1.903,122 0.114,123 25.186,125 -6.02,126 5.295,127 4.289,128 80.49,130 1.36,131 0.079,132 -6.17,133 3.693,134 3.574,135 3.574,136 1,137 2.176,138 2.119,140 3.843,141 3.843,142 1.549,144 3.167,145 1.894,146 4.307,147 1.573,148 3.759,149 5.092,150 2.152,151 1,152 17.334,153 2.917,154 2.917,155 56.235,156 1.769,157 0.166,159 1.244,160 0.104,161 1,162 4.307,163 9.005,164 0.125,165 5.255,166 2,167 4.18,168 2.275,169 2.275,170 2,171 1,172 1,173 21.274,174 24.5,175 3.613,176 3.613,177 -0.12,178 34.284,179 -0.093,180 11.465,181 2.035,182 21.954,183 20.602,184 0.268,185 1.008,186 3.875,187 0.969,188 0.082,189 4.069,190 3.755,191 3.689,192 3.689,193 39,194 4.369,195 9.095,196 9.095,197 2.394,198 1.946,199 1.567,200 1.392,201 1.386,202 1.386,203 8.287,204 3.511,205 1.515,206 2.05,207 4.147,208 3.615,209 1.545,210 1,211 1.219,212 4.644,213 0.325,215 1.094,216 2.844,217 1.217,218 3.832,219 1.798,221 0.258,222 4.169,223 1.655,224 1.655,225 3.887,226 1.039,227 0.64,228 2.172,229 2.172,230 58.541,231 141.205,232 3.902,233 5.231,234 186,235 5.192,239 1.995,240 1.649,241 2,242 2.226,243 2.226,244 36,245 60.083,246 45.046,247 1,248 6.183,249 1.268,250 3.86,251 13.272,252 343.69,253 1.552,254 190,255 1.774,256 12.739,257 2.72,258 2.72,259 4.256,261 12.602,262 0.043,263 1.483,264 1.008,265 9.585,266 5.138,267 10,268 0.913,269 24,270 4.644,271 11,272 0.8,273 3.754,274 3.08,275 3.08,276 5.399,277 178.117,278 19.178,279 8.2}
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{0 CHEMBL2312637,2 3,3 72.87,4 83.752,6 0.068,7 0.653,8 0.531,9 1.2,10 2.419,12 0.091,13 0.8,14 0.8,15 6,17 0.432,18 1.018,19 0.486,22 4.856,23 4.856,24 0.084,25 1,26 3.017,27 9.102,28 2,29 1.935,30 -3.95,31 0.291,32 5.629,33 32.643,34 7.717,35 0.129,36 0.195,37 0.03,39 23,40 12.741,41 1.019,42 3.92,43 3.703,44 2,45 1.08,46 39.439,47 7.36,48 7.36,49 22,50 2,51 0.8,52 39.439,54 3.4,55 1.13,56 4.234,57 4.234,58 158.026,59 3.809,60 4.166,61 2.3,62 1.214,63 3.2,64 2.565,65 2,66 98.022,67 1.563,68 2.956,69 2.956,70 2.91,72 3.111,73 1.909,74 2.931,75 92.816,76 15,77 0.007,78 1.304,79 7.73,80 0.697,81 1.072,82 16.155,83 1.33,84 4.73,85 4.73,86 4.73,87 4.9,88 4.086,89 10.764,90 9,91 6.685,92 0.346,93 5.985,94 19.688,95 4.652,97 8,98 13.648,99 8.522,100 3.963,101 2.779,102 17.245,103 17.245,104 17.245,105 17.245,106 17.245,107 0.104,108 22.954,109 1.164,110 1.298,111 23.345,112 0.207,113 3.881,114 10.373,115 21.507,116 21.507,117 21.507,118 21.507,119 21.507,120 19.297,121 1.88,122 0.139,123 17.703,124 1,125 -4.19,126 6.999,127 4.384,128 65.54,130 1.5,131 0.097,132 -4.25,133 3.76,134 4.685,135 4.685,137 1.875,138 1.751,140 4.019,141 4.019,142 1.429,143 1,144 2.773,145 1.557,146 4.197,147 1.504,148 3.705,149 4.929,150 1.361,152 15.437,153 2.275,154 2.275,155 48.273,156 1.735,157 0.209,159 1.269,160 0.123,162 4.097,163 8.644,164 0.237,165 5.296,166 1.771,167 3.923,168 1.802,169 1.802,170 1,171 0.818,172 0.818,173 19.146,174 19.5,175 3.165,176 3.165,177 -0.234,178 38.169,179 0.019,180 10.342,181 2.058,182 23.552,183 22.034,184 0.479,185 0.944,186 3.876,187 1,188 0.158,189 3.612,190 3.524,191 3.584,192 3.584,193 35,194 4.263,195 9.082,196 9.082,197 2.34,198 1.758,199 1.658,200 1.294,201 1.414,202 1.414,203 4.235,204 3.607,205 1.533,206 2.007,207 3.866,208 3.501,209 1.376,210 0.773,211 1.084,212 4.456,213 0.57,215 0.977,216 2.736,217 1.064,218 3.762,219 1.769,221 0.355,222 3.736,223 1.422,224 1.422,225 3.861,226 1.219,227 0.607,228 1.523,229 1.523,230 51.786,231 130.72,232 4.127,233 5.13,234 168,235 5.083,239 2.052,240 1.038,242 1.793,243 1.793,244 32,245 53.273,246 40.432,247 2,248 6.588,249 1.153,250 3.851,251 12.079,252 247.193,253 1.205,254 134,255 1.732,256 11.845,257 2.571,258 2.571,259 4.055,261 11.003,262 0.039,263 0.889,264 0.954,265 7.532,266 4.94,267 4,268 1.108,269 19,270 4.322,271 6,273 3.776,274 2.58,275 2.58,276 5.181,277 151.245,278 20.502,279 7.658}
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{0 CHEMBL2312640,2 2,3 84.641,4 83.752,6 0.068,7 0.653,8 0.531,9 1.2,10 2.396,12 0.082,13 0.8,14 0.8,15 7,17 0.432,18 1.191,19 0.486,22 4.912,23 4.912,24 0.084,25 1,26 3.017,27 9.102,28 2,29 1.935,30 -3.95,31 0.291,32 5.629,33 33.112,34 7.717,35 0.129,36 0.195,37 0.076,39 23,40 13.367,41 1.038,42 3.926,43 3.703,44 2,45 1.109,46 39.439,47 7.36,48 7.36,49 22,50 2,51 0.8,52 39.439,54 3.4,55 1.13,56 4.133,57 4.133,58 158.026,59 3.753,60 4.169,61 2.229,62 1.22,63 3.2,64 2.569,65 1,66 88.546,67 1.569,68 2.798,69 2.798,70 2.91,72 3.111,73 1.909,74 2.941,75 85.913,76 15,77 0.033,78 1.291,79 7.834,80 0.697,81 1.072,82 16.189,83 1.361,84 4.834,85 4.834,86 4.834,87 4.917,88 4.089,89 10.759,90 9,91 6.705,92 0.346,93 5.998,94 20.871,95 4.661,96 1,97 7,98 13.682,99 8.521,100 3.963,101 2.779,102 17.249,103 17.249,104 17.249,105 17.249,106 17.249,107 0.104,108 22.954,109 1.178,110 1.332,111 23.345,112 0.207,113 3.881,114 10.366,115 21.559,116 21.559,117 21.559,118 21.559,119 21.559,120 19.31,121 1.88,122 0.14,123 17.703,124 1,125 -4.19,126 6.999,127 4.384,128 65.54,130 1.542,131 0.099,132 -4.25,133 3.753,134 4.705,135 4.705,137 1.874,138 1.732,140 4.019,141 4.019,142 1.429,143 1,144 2.752,145 1.561,146 4.197,147 1.5,148 3.679,149 4.929,150 1.361,152 15.454,153 2.275,154 2.275,155 48.294,156 1.735,157 0.212,159 1.293,160 0.125,162 4.099,163 8.649,164 0.237,165 5.296,166 1.811,167 3.929,168 1.947,169 1.947,170 1,171 0.86,172 0.86,173 19.178,174 19.5,175 3.165,176 3.165,177 -0.234,178 36.767,179 -0.022,180 10.657,181 2.058,182 23.78,183 22.235,184 0.479,185 0.944,186 3.876,187 1,188 0.158,189 3.589,190 3.524,191 3.584,192 3.584,193 35,194 4.263,195 9.18,196 9.18,197 2.321,198 1.76,199 1.643,200 1.243,201 1.414,202 1.414,203 4.077,204 3.599,205 1.536,206 1.891,207 3.879,208 3.501,209 1.376,210 0.811,211 1.202,212 4.458,213 0.57,215 1.013,216 2.739,217 1.064,218 3.762,219 1.766,221 0.371,222 3.739,223 1.415,224 1.415,225 3.848,226 1.103,227 0.602,228 1.634,229 1.634,230 51.766,231 131.092,232 4.127,233 5.13,234 168,235 5.083,239 2.07,240 1.038,242 1.773,243 1.773,244 32,245 53.464,246 40.432,247 2,248 6.588,249 1.153,250 3.824,251 12.094,252 247.193,253 1.256,254 128,255 1.72,256 11.779,257 2.571,258 2.571,259 4.101,261 11.028,262 0.048,263 0.642,264 0.985,265 7.547,266 4.991,267 4,268 1.098,269 19,270 4.322,271 5,273 3.753,274 2.561,275 2.561,276 5.235,277 154,278 20.679,279 7.046}
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{0 CHEMBL231350,2 6,3 78.729,4 81.853,6 0.035,7 0.413,8 0.906,9 1.2,10 6.689,12 0.213,13 0.8,14 0.8,15 10,17 0.246,18 0.986,19 0.5,22 4.862,23 4.862,24 0.043,25 4,26 4.122,27 16.991,28 2,29 1.899,30 -4.89,31 0.157,32 5.89,33 47.948,34 7.717,35 0.067,36 0.102,37 0.09,39 26,40 18.092,41 0.991,42 4.362,43 3.766,44 3,45 1.09,46 37.54,47 8.172,48 8.172,49 23,50 1,51 0.4,52 37.54,54 3.2,55 1.125,56 4.062,57 4.062,58 190.937,59 3.844,60 4.242,61 2.103,62 1.181,63 2.4,64 2.5,65 2,66 100.57,67 1.5,68 2.943,69 2.943,70 2.896,71 26.047,72 3.087,73 1.95,74 2.906,75 126.466,76 18,77 -0.08,78 1.904,79 7.711,80 0.684,81 0.824,82 18.498,83 1.4,84 4.711,85 4.711,86 4.711,87 5.364,88 4.155,89 11.271,90 10,91 6.686,92 0.188,93 5.989,94 19.952,95 5.151,97 10,98 14.279,99 8.937,100 3.978,101 2.952,102 17.768,103 17.768,104 17.768,105 17.768,106 17.768,107 0.054,108 23.787,109 1.848,110 1.345,111 23.463,112 0.206,113 3.919,114 10.707,115 21.643,116 21.643,117 21.643,118 21.643,119 21.643,120 20.019,121 1.926,122 0.135,123 9.28,125 -5.24,126 6.999,127 4.382,128 61.44,130 1.516,131 0.095,132 -5.35,133 3.678,134 4.686,135 4.686,137 1.518,138 2.071,140 3.871,141 3.871,142 1.422,144 3.165,145 1.748,146 4.224,147 1.493,148 3.789,149 4.954,150 1.396,152 15.708,153 2.275,154 2.275,155 51.834,156 1.754,157 0.203,159 1.223,160 0.12,162 4.344,163 8.788,164 0.125,165 5.068,166 2,167 4.202,168 2.275,169 2.275,170 1,171 1,172 1,173 19.219,174 22,175 3.768,176 3.768,177 -0.094,178 53.902,179 0.088,180 15.078,181 2.039,182 23.401,183 21.886,184 0.268,185 0.96,186 3.915,187 0.995,188 0.082,189 3.861,190 3.585,191 3.611,192 3.611,193 36,194 4.29,195 9.051,196 9.051,197 2.268,198 1.871,199 1.572,200 1.229,201 1.299,202 1.299,204 3.506,205 1.54,206 2.024,207 4.286,208 3.532,209 1.383,210 1,211 1.096,212 4.567,213 0.325,215 0.873,216 2.766,217 1.174,218 3.835,219 1.801,221 0.348,222 4.287,223 1.738,224 1.738,225 3.872,226 0.948,227 0.672,228 0.932,229 0.932,230 54.276,231 140.579,232 4.012,233 5.176,234 176,235 5.133,239 2.02,240 1.276,241 2,242 2.237,243 2.237,244 33,245 55.566,246 43.091,247 2,248 6.359,249 1.216,250 3.875,251 12.506,252 211.88,253 1.417,254 172,255 1.8,256 11.771,257 2.56,258 2.56,259 4.237,261 17.134,262 0.038,263 2.726,264 1.046,265 7.85,266 5.044,267 8,268 0.991,269 20,270 4.392,271 12,273 3.84,274 3.12,275 3.12,276 5.26,277 154.465,278 20.355,279 4.9}
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{0 CHEMBL231640,2 4,3 77.32,4 94.902,6 0.035,7 3.576,8 0.715,9 4.069,10 5.72,12 0.248,13 2.035,14 2.035,15 11,17 4.964,18 1.225,19 0.545,22 4.857,23 4.857,24 10.638,25 2,26 3.17,27 10.047,28 2,29 1.894,30 -4.08,31 6.378,32 5.336,33 26.052,34 7.717,35 9.217,36 7.797,37 0.145,39 24,40 8.977,41 0.987,42 3.904,43 3.652,44 3,45 1.05,46 50.589,47 6.808,48 6.808,49 23,51 0.8,52 50.589,54 3.8,55 1.132,56 3.914,57 3.914,58 209.341,59 3.854,60 4.111,61 2,62 1.181,63 5.669,64 2.5,66 110.046,67 1.5,68 2.275,69 2.275,70 2.88,71 8.396,72 3.076,73 1.945,74 2.897,75 149.472,76 18,77 -0.062,78 1.199,79 7.708,80 0.702,81 2.326,82 19.8,83 1.213,84 4.708,85 4.708,86 4.708,87 4.743,88 4.035,89 9.926,90 11,91 6.686,92 0.188,93 5.45,94 19.866,95 4.564,97 11,98 13.348,99 7.902,100 3.97,101 2.894,102 16.208,103 16.208,104 16.208,105 16.208,106 16.208,107 0.054,108 21.354,109 1.114,110 1.235,111 21.959,112 0.213,113 3.913,114 9.517,115 20.151,116 20.151,117 20.151,118 20.151,119 20.151,120 18.023,121 1.922,122 0.147,123 9.28,125 -4.33,126 6.999,127 4.271,128 73.2,130 1.525,131 0.103,132 -4.4,133 3.631,134 4.686,135 4.686,137 1.434,138 2.009,140 3.883,141 3.883,142 1.401,144 3.075,145 1.663,146 4.136,147 1.22,148 3.803,149 4.832,150 1.226,152 14.442,153 2.067,154 2.067,155 47.796,156 1.723,157 0.221,159 1.224,160 0.131,162 3.954,163 8.478,164 0.125,165 5.292,166 1.453,167 3.819,168 0.787,169 0.787,170 1,171 0.503,172 0.503,173 17.688,174 24.5,175 2.275,176 2.275,177 -0.089,178 29.714,179 0.196,180 8.449,181 2.031,182 23.355,183 21.839,184 0.268,185 0.91,186 3.909,187 1.014,188 0.082,189 3.414,190 3.807,191 3.526,192 3.526,193 33,194 4.205,195 9.058,196 9.058,197 2,198 1.5,199 1.571,200 1,201 1,202 1,204 3.485,205 1.595,206 1.955,207 3.786,208 3.44,209 1.346,210 0.476,211 1.151,212 4.496,213 0.325,215 0.811,216 2.688,217 1.023,218 3.711,219 1.82,221 0.379,222 3.414,223 1.31,224 1.31,225 3.889,226 0.929,227 0.578,228 0.712,229 0.712,230 50.441,231 122.151,232 3.921,233 5.081,234 160,235 5.103,239 2.022,240 0.989,242 2.121,243 2.121,244 30,245 50.394,246 37.188,247 2,248 6.184,249 1.094,250 3.887,251 11.335,252 211.88,253 1.181,254 154,255 1.815,256 11.136,257 2.417,258 2.417,259 3.973,261 10.289,262 0.036,263 2.47,264 0.988,265 8.126,266 4.621,267 7,268 0.971,269 21,270 4.459,271 10,273 3.848,274 2.864,275 2.864,276 4.834,277 135.207,278 20.306,279 6.1}
{0 CHEMBL231648,2 5,3 60.718,4 63.842,6 0.035,7 0.379,8 0.594,9 1.2,10 5.88,12 0.174,13 0.8,14 0.8,15 10,17 0.239,18 0.973,19 0.545,22 4.861,23 4.861,24 0.043,25 1,26 4.504,27 20.287,28 2,29 1.894,30 -5.22,31 0.156,32 5.804,33 32.556,34 7.717,35 0.066,36 0.102,37 0.148,39 23,40 8.718,41 0.821,42 3.968,43 3.657,44 3,45 0.886,46 19.529,47 7.796,48 7.796,49 23,50 2,52 19.529,54 3.8,55 1.031,56 4.048,57 4.048,58 156.02,59 3.844,60 4.136,61 2,62 1.181,63 1.6,64 2.5,66 100.57,67 1.5,68 2.275,69 2.275,70 2.781,71 8.396,72 2.874,73 1.939,74 2.806,75 127.21,76 18,77 -0.052,78 1.092,79 7.711,80 0.724,81 0.673,82 17.931,83 1.107,84 4.711,85 4.711,86 4.711,87 4.693,88 4.054,89 9.815,90 10,91 6.686,92 0.188,93 5.403,94 19.934,95 4.544,97 10,98 12.667,99 7.711,100 3.97,101 2.91,102 16.258,103 16.258,104 16.258,105 16.258,106 16.258,107 0.054,108 21.367,109 0.99,110 1.062,111 21.671,112 0.215,113 3.919,114 9.346,115 19.781,116 19.781,117 19.781,118 19.781,119 19.781,120 18.139,121 1.92,122 0.147,123 9.28,125 -5.6,126 6.999,127 4.363,128 49.41,130 1.5,131 0.103,132 -5.73,133 3.625,134 4.686,135 4.686,137 1.386,138 2.007,140 3.871,141 3.871,142 1.398,144 3.116,145 1.706,146 4.133,147 1.181,148 3.789,149 4.82,150 1.235,152 14.315,153 2.275,154 2.275,155 46.893,156 1.725,157 0.222,159 1.223,160 0.131,162 4.032,163 8.489,164 0.125,165 5.06,166 1.285,167 3.891,168 0.836,169 0.836,170 1,171 0.323,172 0.323,173 17.305,174 21.5,175 2.901,176 2.901,177 -0.096,178 37.738,179 0.229,180 9.096,181 2.018,182 23.395,183 21.88,184 0.268,185 0.858,186 3.913,187 1.016,188 0.082,189 3.414,190 3.585,191 3.526,192 3.526,193 33,194 4.205,195 9.051,196 9.051,197 2.07,198 1.5,199 1.571,200 1.019,201 1.132,202 1.132,204 3.478,205 1.556,206 1.872,207 3.813,208 3.44,209 1.344,210 0.304,211 1.084,212 4.467,213 0.325,215 0.78,216 2.5,217 0.991,218 3.723,219 1.8,221 0.38,222 3.839,223 1.302,224 1.302,225 3.872,226 0.998,227 0.623,228 0.647,229 0.647,230 49.748,231 126.023,232 4.025,233 5.094,234 162,235 5.066,239 2.019,240 0.796,242 2.192,243 2.192,244 30,245 51.101,246 37.659,247 2,248 6.308,249 1.09,250 3.874,251 11.369,252 200.109,253 1.181,254 144,255 1.799,256 11.204,257 2.486,258 2.486,259 4.028,261 11.095,262 0.038,263 2.76,264 1.031,265 7.571,266 4.639,267 8,268 0.987,269 20,270 4.392,271 9,273 3.84,274 3.08,275 3.08,276 4.822,277 137.207,278 20.349,279 7.5}
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{0 CHEMBL2331797,2 1,3 46.312,4 60.113,6 13.549,7 4.313,8 1.028,9 4.873,12 0.009,13 2.53,14 2.53,17 6.066,18 1.671,21 1,22 4.457,23 4.457,24 13.289,25 1,26 0.591,27 0.349,28 2,29 1.404,30 -1.89,31 7.86,32 3.633,33 2.246,34 7.428,35 11.474,36 9.664,37 -0.096,38 1,39 8,40 0.947,42 1.888,43 2.715,46 23.749,47 2.979,48 2.979,49 9,51 1,52 23.749,54 8.3,55 1.326,56 2.527,57 2.527,58 54.56,59 2.689,60 3.083,61 -0.901,62 0.677,63 8.627,64 -0.714,65 1,66 18.011,67 -1.885,68 -5.133,69 -5.133,70 1.226,71 8.825,72 1.74,73 1.53,74 1.231,75 7.89,76 3,77 0.092,78 0.151,79 6.484,80 0.614,81 2.766,83 0.35,84 3.857,85 3.857,86 3.857,87 2.648,88 3.07,89 4.164,91 6.184,92 5.628,93 2.165,94 17.675,95 2.195,96 1,98 5.47,99 3.366,100 3.527,101 2.102,102 6.333,103 6.333,104 6.333,105 6.333,106 6.333,107 11.613,108 8.549,109 0.035,110 0.282,111 8.553,112 0.342,113 3.309,114 4.081,115 8.215,116 8.215,117 8.215,118 8.215,119 8.215,120 6.952,121 1.454,122 0.343,123 14.59,125 -1.88,126 4.743,127 3.432,128 47.17,130 0.698,131 0.243,132 -1.82,133 3.027,134 4.474,135 4.474,136 3,138 0.361,140 1.815,141 1.815,142 0.518,144 1.345,145 -0.799,146 3.232,147 0.493,148 2.978,149 3.507,152 5.826,153 -6.039,154 -6.039,155 18.637,156 1.463,157 0.514,159 0.995,160 0.318,161 1,162 2.317,163 5.876,164 7.665,165 3.444,166 -1.036,167 2.061,168 -6.959,169 -6.959,170 1,171 -2,172 -2,173 7.839,174 3,175 -4.072,176 -4.072,177 -0.207,178 6.613,179 -0.374,180 0.488,181 1.799,182 20.247,183 18.906,184 3.524,185 1.121,186 3.306,187 0.942,188 9.655,189 1.115,190 1.585,191 2.639,192 2.639,193 13,194 3.296,195 5.029,196 5.029,197 -0.513,198 -1.798,199 0.989,200 -1.514,201 -1.518,202 -1.518,204 2.813,205 1.667,206 -1.259,207 0.835,208 2.602,209 0.503,210 -1.937,211 2.464,212 3.538,213 1.404,215 1.268,216 -0.239,218 2.716,219 1.075,221 0.824,222 1.262,223 -1.126,224 -1.126,225 3.274,226 1.744,227 0.53,230 19.481,231 45.411,232 3.372,233 4.143,234 62,235 4.025,239 1.748,241 1,242 0.374,243 0.374,244 12,245 20.484,246 14.727,248 5.502,249 0.062,250 3.21,251 4.454,252 70.627,253 0.408,254 20,255 1.023,256 4.517,257 1.391,258 1.391,259 2.47,261 1.525,262 0.082,264 0.626,265 2.286,266 3.326,268 1.346,269 2,270 1.585,272 0.582,273 2.966,274 0.947,275 0.947,276 3.628,277 43.02,278 17.546,279 3}
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{0 CHEMBL2331806,2 1,3 46.312,4 60.113,6 13.54,7 4.3,8 1.217,9 4.866,12 0.041,13 2.528,14 2.528,17 6.058,18 1.845,22 4.454,23 4.454,24 13.274,25 2,26 1.212,27 1.468,28 2,29 1.839,30 -2.42,31 7.85,32 3.742,33 7.831,34 7.428,35 11.46,36 9.652,37 -0.119,38 1,39 10,40 3.742,42 2.614,43 2.899,45 0.14,46 23.749,47 3.318,48 3.318,49 10,51 0.93,52 23.749,54 6.7,55 1.358,56 2.531,57 2.531,58 59.629,59 2.753,60 3.302,61 -0.518,62 1.116,63 8.34,64 -0.274,65 2,66 18.011,67 -1.583,68 -3.646,69 -3.646,70 1.711,71 8.825,72 2.123,73 1.627,74 1.736,75 7.89,76 3,77 0.059,78 0.32,79 6.462,80 0.608,81 2.731,83 0.619,84 3.855,85 3.855,86 3.855,87 3.927,88 3.25,89 5.164,91 6.223,92 5.628,93 2.719,94 17.713,95 3.533,96 1,98 6.474,99 4.204,100 3.613,101 2.125,102 7.371,103 7.371,104 7.371,105 7.371,106 7.371,107 11.606,108 10.182,109 0.229,110 0.557,111 9.94,112 0.317,113 3.438,114 5.062,115 9.629,116 9.629,117 9.629,118 9.629,119 9.629,120 8.285,121 1.559,122 0.297,123 19.659,125 -2.47,126 4.727,127 3.437,128 47.17,130 1.075,131 0.211,132 -2.44,133 3.231,134 4.474,135 4.474,136 3,137 -0.855,138 0.862,140 1.87,141 1.87,142 0.86,144 1.867,145 -0.291,146 3.381,147 0.856,148 3.156,149 3.74,150 -1,152 6.826,153 -4.32,154 -4.32,155 20.811,156 1.513,157 0.445,159 1.151,160 0.276,161 1,162 2.799,163 6.314,164 7.663,165 3.587,166 -0.803,167 2.598,168 -5.071,169 -5.071,170 1,171 -1.794,172 -1.794,173 9.253,174 3,175 -2.385,176 -2.385,177 -0.167,178 8.65,179 -0.11,180 2.135,181 1.834,182 20.238,183 18.897,184 3.524,185 1.185,186 3.425,187 0.933,188 9.651,189 1.351,190 1.585,191 2.773,192 2.773,193 15,194 3.434,195 5.105,196 5.105,197 -0.037,198 -1.19,199 1.052,200 -1.01,201 -1.032,202 -1.032,204 3.044,205 1.599,206 -0.555,207 2.249,208 2.735,209 0.84,210 -1.747,211 2.217,212 3.648,213 1.404,215 0.998,216 0.155,217 0.343,218 2.925,219 1.579,221 0.715,222 1.692,223 -0.539,224 -0.539,225 3.444,226 1.471,227 0.53,228 -6.03,229 -6.03,230 21.8,231 54.8,232 3.451,233 4.263,234 70,235 4.127,239 1.667,240 -1.055,241 1,242 0.872,243 0.872,244 14,245 22.978,246 18.25,248 5.511,249 0.457,250 3.38,251 5.22,252 105.94,253 0.708,254 32,255 1.497,256 4.902,257 1.585,258 1.585,259 2.9,261 2.844,262 0.069,263 0.107,264 1.136,265 2.288,266 3.751,268 1.341,269 2,270 1.585,272 0.4,273 3.139,274 1.238,275 1.238,276 4.005,277 51.303,278 17.538,279 4}
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{0 CHEMBL252201,1 3.074,2 4,3 44.826,4 64.38,6 9.687,7 2.97,8 0.282,9 3.31,10 6.451,11 1,12 0.048,13 1.909,14 1.909,15 12,17 4.055,18 1.132,19 0.524,22 4.563,23 4.563,24 9.064,25 3,26 4.501,27 20.257,28 1,29 2.012,30 -5.22,31 5.26,32 5.415,33 40.055,34 7.429,35 7.782,36 6.511,37 0.051,38 1,39 31,40 20.642,41 1.147,42 4.34,43 3.902,44 3,45 1.183,46 39.235,47 7.133,48 7.133,49 30,51 0.8,52 39.235,54 1.4,55 1.004,56 3.978,57 3.978,58 199.245,59 3.571,60 4.396,61 2.471,62 1.23,63 8.14,64 2.853,66 113.715,67 1.947,68 3.408,69 3.408,70 3.031,72 3.182,73 1.927,74 3.059,75 139.933,76 20,77 -0.067,78 2.002,79 7.49,80 0.684,81 2.253,82 25.714,83 1.429,84 4.49,85 4.49,86 4.49,87 5.362,88 4.303,89 13.456,90 12,91 5.622,92 4.419,93 7.383,94 18.013,95 5.092,97 12,98 17.372,99 10.762,100 4.031,101 2.981,102 20.79,103 20.79,104 20.79,105 20.79,106 20.79,107 8.386,108 27.454,109 1.9,110 1.376,111 29.413,112 0.184,113 3.983,114 13.111,115 25.808,116 25.808,117 25.808,118 25.808,119 25.808,120 23.633,121 1.907,122 0.109,123 41.212,124 1,125 -5.6,126 4.949,127 4.383,128 48.47,130 1.801,131 0.075,132 -5.73,133 3.795,134 3.622,135 3.622,136 1,137 2.495,138 2.247,140 3.448,141 3.448,142 1.603,143 1,144 3.262,145 1.801,146 4.364,147 1.637,148 3.851,149 5.174,150 2.042,152 18.225,153 3.109,154 3.109,155 61.187,156 1.775,157 0.16,159 1.249,160 0.098,162 4.378,163 9.078,164 5.758,165 5.364,166 2.047,167 4.228,168 2.615,169 2.615,170 1,171 1.075,172 1.075,173 23.071,174 22,175 3.528,176 3.528,177 -0.133,178 40.6,179 0.058,180 14.946,181 2.03,182 22.693,183 21.233,184 3.061,185 0.95,186 3.972,187 1.025,188 7.078,189 4.035,190 3.7,191 3.761,192 3.761,193 42,194 4.443,195 7.797,196 7.797,197 2.484,198 2.072,199 1.685,200 1.483,201 1.524,202 1.524,203 4.744,204 3.622,205 1.516,206 2.211,207 4.303,208 3.642,209 1.58,210 1.042,211 1.099,212 4.705,213 1.738,215 0.926,216 2.91,217 1.335,218 3.962,219 1.92,220 31.052,221 0.259,222 4.11,223 1.55,224 1.55,225 3.949,226 1.132,227 0.558,228 2.275,229 2.275,230 63.298,231 155.251,232 3.985,233 5.303,234 200,235 5.244,239 1.918,240 1.967,242 2.282,243 2.282,244 37,245 63.516,246 48.546,247 1,248 6.554,249 1.395,250 3.917,251 13.769,252 341.362,253 1.513,254 210,255 1.892,256 14.037,257 2.559,258 2.559,259 4.275,261 15.713,262 0.031,263 1.084,264 0.987,265 8.519,266 5.141,267 5,268 1.112,269 23,270 4.585,271 19,272 0.8,273 3.86,274 2.961,275 2.961,276 5.378,277 184.75,278 19.734,279 9.022}
{0 CHEMBL252228,1 3.074,2 4,3 44.826,4 64.38,6 9.687,7 2.97,8 1.031,9 3.31,10 5.313,11 1,12 0.06,13 1.909,14 1.909,15 7,17 4.055,18 1.344,19 0.444,22 4.563,23 4.563,24 9.064,25 3,26 3.745,27 14.024,28 1,29 1.944,30 -4.57,31 5.26,32 5.476,33 35.289,34 7.429,35 7.782,36 6.511,37 0.067,38 1,39 26,40 18.205,41 1.077,42 4.188,43 3.761,44 2,45 1.153,46 39.235,47 7.294,48 7.294,49 24,51 0.8,52 39.235,54 1.6,55 1.064,56 3.975,57 3.975,58 157.504,59 3.562,60 4.261,61 2.047,62 1.202,63 8.14,64 2.499,66 66.334,67 1.499,68 2.615,69 2.615,70 2.995,71 8.825,72 3.166,73 1.925,74 2.992,75 89.366,76 14,77 -0.056,78 1.714,79 7.49,80 0.669,81 2.253,82 15.427,83 1.429,84 4.49,85 4.49,86 4.49,87 5.244,88 4.163,89 11.899,90 7,91 5.618,92 4.419,93 6.234,94 18.013,95 4.946,97 7,98 14.855,99 9.527,100 4.03,101 2.981,102 17.772,103 17.772,104 17.772,105 17.772,106 17.772,107 8.386,108 23.851,109 1.578,110 1.376,111 24.849,112 0.201,113 3.981,114 11.558,115 22.248,116 22.248,117 22.248,118 22.248,119 22.248,120 20.483,121 1.906,122 0.127,123 41.212,124 1,125 -4.88,126 4.948,127 4.379,128 48.47,130 1.393,131 0.088,132 -4.97,133 3.699,134 3.618,135 3.618,136 1,137 1.997,138 2.039,140 3.022,141 3.022,142 1.446,143 1,144 3.127,145 1.496,146 4.215,147 1.513,148 3.623,149 4.954,150 1.877,152 15.708,153 2.275,154 2.275,155 52.156,156 1.736,157 0.186,159 1.237,160 0.114,162 4.257,163 8.645,164 5.758,165 5.304,166 1.967,167 4.083,168 1.793,169 1.793,170 1,171 1,172 1,173 20.261,174 16,175 3.523,176 3.523,177 -0.173,178 35.879,179 0.013,180 12.864,181 2.006,182 22.678,183 21.209,184 3.061,185 1.007,186 3.971,187 1.007,188 7.078,189 3.568,190 3.322,191 3.611,192 3.611,193 36,194 4.29,195 7.799,196 7.799,197 2.398,198 1.68,199 1.638,200 1.392,201 1.406,202 1.406,203 4.728,204 3.537,205 1.516,206 1.949,207 4.076,208 3.502,209 1.438,210 0.965,211 1.399,212 4.549,213 1.738,215 0.957,216 2.658,217 1.153,218 3.824,219 1.753,220 31.052,221 0.302,222 4.036,223 1.524,224 1.524,225 3.863,226 1.107,227 0.56,228 1.748,229 1.748,230 54.212,231 135.156,232 3.981,233 5.153,234 172,235 5.075,239 1.918,240 1.596,241 1,242 2.179,243 2.179,244 32,245 55.222,246 42.785,247 1,248 6.547,249 1.196,250 3.795,251 11.918,252 317.82,253 1.455,254 170,255 1.687,256 12.019,257 2.473,258 2.473,259 4.145,261 13.747,262 0.039,263 0.427,264 1.051,265 6.537,266 5.018,267 4,268 1.147,269 17,270 4.17,271 7,272 0.8,273 3.616,274 2.784,275 2.784,276 5.265,277 156,278 19.711,279 9.301}
{0 CHEMBL252230,1 3.074,2 5,3 44.826,4 64.38,6 9.687,7 2.97,8 0.313,9 3.31,10 5.355,11 1,12 0.043,13 1.909,14 1.909,15 7,17 4.055,18 1.011,19 0.432,22 4.563,23 4.563,24 9.064,25 3,26 3.745,27 14.024,28 1,29 1.932,30 -4.57,31 5.26,32 5.752,33 33.504,34 7.428,35 7.782,36 6.511,37 0.044,38 1,39 26,40 17.019,41 1.064,42 4.162,43 3.772,44 2,45 1.153,46 39.235,47 7.798,48 7.798,49 27,51 0.8,52 39.235,54 1.6,55 1.019,56 3.976,57 3.976,58 148.678,59 3.868,60 4.255,61 2.339,62 1.179,63 8.14,64 2.592,66 66.334,67 1.566,68 3.443,69 3.443,70 2.94,72 3.15,73 1.925,74 2.941,75 89.366,76 14,77 -0.027,78 1.691,79 7.49,80 0.678,81 2.253,82 15.472,83 1.429,84 4.49,85 4.49,86 4.49,87 5.176,88 4.16,89 11.943,90 7,91 5.749,92 4.419,93 6.177,94 18.013,95 4.877,97 7,98 14.895,99 9.513,100 4.035,101 2.981,102 18.285,103 18.285,104 18.285,105 18.285,106 18.285,107 8.386,108 24.009,109 1.498,110 1.376,111 25.948,112 0.196,113 3.984,114 11.655,115 22.325,116 22.325,117 22.325,118 22.325,119 22.325,120 21.358,121 1.906,122 0.123,123 41.212,124 1,125 -4.88,126 4.948,127 4.382,128 48.47,130 1.393,131 0.085,132 -4.97,133 3.792,134 3.749,135 3.749,136 1,137 1.997,138 2.049,140 3.186,141 3.186,142 1.429,143 1,144 3.145,145 1.537,146 4.219,147 1.513,148 3.783,149 4.962,150 1.879,152 15.742,153 2.614,154 2.614,155 54.424,156 1.736,157 0.181,159 1.236,160 0.111,162 4.26,163 8.645,164 5.758,165 5.447,166 1.967,167 4.091,168 2.275,169 2.275,170 1,171 1,172 1,173 20.363,174 16,175 3.527,176 3.527,177 -0.152,178 35.117,179 0.041,180 12.119,181 2.004,182 22.682,183 21.214,184 3.061,185 0.96,186 3.974,187 1.033,188 7.078,189 4.036,190 3.322,191 3.638,192 3.638,193 37,194 4.317,195 8.807,196 8.807,197 2.472,198 1.913,199 1.558,200 1.426,201 1.522,202 1.522,203 4.731,204 3.62,205 1.542,206 1.952,207 4.006,208 3.502,209 1.376,210 0.965,211 0.933,212 4.61,213 1.738,215 0.949,216 2.851,217 1.142,218 3.829,219 1.752,220 31.052,221 0.294,222 4.084,223 1.526,224 1.526,225 3.939,226 1.339,227 0.528,228 1.769,229 1.769,230 56.713,231 133.327,232 3.987,233 5.198,234 180,235 5.118,239 1.917,240 1.599,242 2.218,243 2.218,244 32,245 57.129,246 42.023,247 1,248 6.553,249 1.176,250 3.897,251 11.94,252 294.278,253 1.513,254 141,255 1.686,256 12.345,257 2.619,258 2.619,259 4.144,261 13.542,262 0.04,263 0.431,264 1.064,265 6.511,266 5.001,267 4,268 1.155,269 17,270 4.17,271 7,272 0.8,273 3.79,274 2.946,275 2.946,276 5.241,277 151.245,278 19.718,279 9.347}
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{0 CHEMBL252719,4 6.249,6 0.264,7 1.046,8 0.432,9 1.605,10 5.895,12 -0.209,13 0.916,14 0.916,15 8,17 0.775,18 0.995,19 0.522,22 4.482,23 4.482,24 0.302,26 3.376,27 11.397,29 1.857,30 -4.26,31 0.593,32 4.979,33 11.849,34 4.814,35 0.372,36 0.465,37 0.147,39 18,40 7.1,41 0.724,42 3.481,43 3.326,44 2,45 0.79,46 6.249,47 5.835,48 5.835,49 19,51 0.8,52 6.249,55 1.061,56 3.698,57 3.698,58 111.62,59 3.497,60 3.816,61 0.973,62 1.006,63 5.138,64 1.17,66 75.81,70 2.589,71 8.396,72 2.755,73 1.923,74 2.611,75 99.644,76 12,77 -0.028,78 0.929,79 7.015,80 0.672,81 1.479,82 17.877,83 1.018,84 4.015,85 4.015,86 4.015,87 4.325,88 3.742,89 7.374,90 8,91 5.57,92 0.515,93 3.935,94 19.049,95 3.937,97 8,98 9.624,99 5.905,100 3.798,101 2.681,102 11.397,103 11.397,104 11.397,105 11.397,106 11.397,107 0.314,108 15.009,109 0.506,110 0.973,111 16.008,112 0.25,113 3.747,114 7.153,115 13.93,116 13.93,117 13.93,118 13.93,119 13.93,120 13.093,121 1.887,122 0.195,123 8.852,124 1,125 -4.53,126 4.643,127 4.09,128 6.48,130 1.475,131 0.142,132 -4.61,133 3.197,134 3.57,135 3.57,137 0.529,138 1.531,140 2.792,141 2.792,142 1.088,143 1,144 2.532,145 1.086,146 3.767,147 1.143,148 3.536,149 4.278,150 0.214,152 9.826,153 -1.24,154 -1.24,155 33.615,156 1.63,157 0.3,159 1.251,160 0.184,162 3.889,163 7.401,164 0.441,165 4.574,166 0.213,167 3.679,168 -1.944,169 -1.944,171 -0.765,172 -0.765,173 12.477,174 12.5,175 0.387,176 0.387,177 -0.189,178 19.567,179 -0.02,180 4.835,181 2.037,182 21.089,183 19.766,184 0.581,185 0.981,186 3.74,187 1.03,188 0.373,189 2.809,190 2.807,191 3.178,192 3.178,193 23,194 3.85,195 7.86,196 7.86,197 1.143,198 0.183,199 1.143,200 0.151,201 0.153,202 0.153,204 3.056,205 1.506,206 1.138,207 2.699,208 3.062,209 1.049,210 -0.74,211 0.907,212 4.148,213 0.57,215 0.995,216 1.401,217 0.775,218 3.38,219 1.65,221 0.503,222 2.902,223 1,224 1,225 3.78,226 0.881,227 0.912,228 -2.113,229 -2.113,230 34.983,231 84.499,232 3.731,233 4.727,234 112,235 4.654,239 1.936,240 -0.053,242 1.534,243 1.534,244 20,245 35.57,246 26.864,248 6.252,249 0.843,250 3.71,251 7.421,252 235.422,253 1.093,254 42,255 1.584,256 7.858,257 2.086,258 2.086,259 3.944,260 1,261 8.115,262 0.038,263 1.006,264 1.132,265 4.997,266 4.719,267 4,268 1.118,269 12,270 3.7,272 0.68,273 3.53,274 2.164,275 2.164,276 5.002,277 86.439,278 18.337,279 8.523}
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{0 CHEMBL27,4 71.694,7 0.763,8 1.985,9 1.72,10 0.821,12 -0.084,13 0.86,14 0.86,15 7,17 0.597,18 1.163,19 0.55,21 1,22 4.493,23 4.493,24 0.217,25 2,26 2.534,27 6.42,28 2,29 1.769,30 -3.54,31 0.47,32 4.573,33 12.523,34 6.449,35 0.283,36 0.367,37 -0.04,39 16,40 6.597,41 0.637,42 3.3,43 3.221,44 2,45 0.689,46 18.011,47 4.949,48 4.949,49 10,51 0.4,52 18.011,54 5,55 1.141,56 2.913,57 2.913,58 119.082,59 3.102,60 3.62,61 0.382,62 1.016,63 2.52,64 0.882,66 127.028,67 -0.927,68 -1.478,69 -1.478,70 2.558,71 17.65,72 2.666,73 1.705,74 2.572,75 76.723,76 10,77 0.083,78 0.727,79 7.43,80 0.638,81 1.029,82 14.044,83 0.891,84 4.43,85 4.43,86 4.43,87 4.255,88 3.548,89 6.613,90 7,91 5.176,93 3.708,94 16.976,95 4.005,96 1,97 7,98 8.893,99 5.368,100 3.748,101 2.27,102 9.881,103 9.881,104 9.881,105 9.881,106 9.881,108 13.628,109 0.593,110 0.913,111 13.118,112 0.276,113 3.557,114 6.381,115 12.69,116 12.69,117 12.69,118 12.69,119 12.69,120 10.798,121 1.638,122 0.225,123 6.698,125 -3.73,126 4.948,127 3.545,128 41.49,130 1.267,131 0.152,132 -3.76,133 3.439,134 3.176,135 3.176,138 1.272,140 2.427,141 2.427,142 1.162,144 2.273,145 0.614,146 3.669,147 1.217,148 3.388,149 4.178,150 -0.005,152 9.165,153 -2,154 -2,155 27.867,156 1.599,157 0.325,159 1.178,160 0.201,162 3.444,163 7.168,165 4.161,167 3.3,168 -2.228,169 -2.228,171 -1,172 -1,173 11.403,174 10.5,175 -0.932,176 -0.932,177 -0.015,178 18.091,179 -0.03,180 4.495,181 1.94,182 22.321,183 20.849,185 1.06,186 3.559,187 0.9,189 2,190 2.7,191 3.045,192 3.045,193 20,194 3.714,195 5.977,196 5.977,197 0.562,198 -0.496,199 1.402,200 -0.365,201 -0.389,202 -0.389,204 3.303,205 1.481,206 0.303,207 3.176,208 3.009,209 1.131,210 -0.918,211 1.053,212 3.898,215 1.007,216 0.96,217 0.788,218 3.268,219 1.517,221 0.51,222 2.315,223 0.281,224 0.281,225 3.586,226 0.842,227 1.078,228 -2.491,229 -2.491,230 28.977,231 76.825,232 3.612,233 4.533,234 92,235 4.463,239 2.047,240 -0.299,241 2,242 1.276,243 1.276,244 19,245 29.556,246 25.529,248 5.232,249 0.884,250 3.535,251 7.033,252 153.024,253 0.948,254 59,255 1.47,256 5.99,257 2.008,258 2.008,259 3.412,260 1,261 5.841,262 0.032,263 1.245,264 0.75,265 4.327,266 4.405,267 1,268 1.109,269 11,270 3.585,271 6,273 3.394,274 2.083,275 2.083,276 4.648,277 76.711,278 19.34,279 5.834}
{0 CHEMBL270188,1 14.96,2 1,3 33.571,4 51.582,7 0.391,8 0.372,9 1.36,10 5.995,12 0.013,13 0.68,14 0.68,15 9,16 1,17 0.187,18 0.714,19 0.643,22 4.516,23 4.516,24 0.009,25 2,26 4.18,27 17.472,29 1.862,30 -4.94,31 0.089,32 5.05,33 25.032,34 8.201,35 0.019,36 0.042,37 -0.083,39 21,40 13.608,41 0.821,42 3.989,43 3.478,44 2,45 0.886,46 66.542,47 6.063,48 6.063,49 23,50 1,51 0.4,52 51.582,55 0.972,56 3.576,57 3.576,58 175.202,59 3.525,60 3.9,61 1.98,62 1.121,63 2.16,64 2.198,65 1,66 103.297,67 1.166,68 2.136,69 2.136,70 2.715,72 2.854,73 1.898,74 2.735,75 103.964,76 16,77 -0.094,78 1.438,79 7.224,80 0.685,81 0.809,82 16.864,83 1.107,84 4.224,85 4.224,86 4.224,87 4.94,88 3.841,89 8.608,90 9,91 5.309,93 5.111,94 18.148,95 4.676,96 1,97 9,98 11.974,99 6.957,100 3.89,101 2.586,102 13.892,103 13.892,104 13.892,105 13.892,106 13.892,108 18.009,109 1.406,110 1.062,111 19.474,112 0.227,113 3.836,114 8.439,115 17.361,116 17.361,117 17.361,118 17.361,119 17.361,120 15.045,121 1.871,122 0.161,123 11.815,125 -5.29,126 4.965,127 3.999,128 37.81,130 1.317,131 0.113,132 -5.41,133 3.5,134 3.309,135 3.309,137 0.947,138 1.554,139 13.331,140 3.45,141 3.45,142 1.107,144 2.575,145 1.386,146 3.973,147 1.181,148 3.695,149 4.606,150 0.927,152 12.293,153 0.515,154 0.515,155 39.694,156 1.687,157 0.24,159 1.153,160 0.148,162 3.992,163 8.015,165 5.031,166 0.843,167 3.889,168 -0.244,169 -0.244,170 1,171 -0.102,172 -0.102,173 15.173,174 18,175 2.275,176 2.275,177 -0.049,178 25.447,179 0.078,180 10.048,181 1.991,182 21.722,183 20.344,185 0.903,186 3.828,187 1.029,189 3.247,190 3.322,191 3.367,192 3.367,193 28,194 4.043,195 7.551,196 7.551,197 2,198 1.5,199 1.51,200 1,201 1,202 1,203 9.709,204 3.313,205 1.484,206 1.5,207 3.855,208 3.268,209 1.062,210 -0.094,211 0.477,212 4.286,215 0.869,216 2.5,217 0.821,218 3.513,219 1.729,221 0.391,222 3.414,223 1.019,224 1.019,225 3.843,226 0.76,227 0.538,228 -0.505,229 -0.505,230 41.257,231 95.283,232 3.822,233 4.89,234 132,235 4.848,236 1,237 1,238 14.96,239 1.949,240 0.602,242 1.603,243 1.603,244 25,245 41.655,246 30.807,248 5.78,249 0.886,250 3.799,251 9.266,252 217.397,253 1.181,254 86,255 1.693,256 9.067,257 2.207,258 2.207,259 3.877,261 10.251,262 0.035,263 1.088,264 1.061,265 6.662,266 4.636,267 7,268 1.12,269 18,270 4.248,271 7,273 3.693,274 2.807,275 2.807,276 4.847,277 108.096,278 18.88,279 9.222}
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{0 CHEMBL271212,1 14.96,3 33.571,4 51.582,7 0.317,8 0.405,9 1.315,10 5.12,12 0.021,13 0.657,14 0.657,15 4,16 1,17 0.149,18 0.795,19 0.48,22 4.531,23 4.531,24 0.006,25 2,26 3.737,27 13.965,29 1.86,30 -4.57,31 0.067,32 5.049,33 28.069,34 8.201,35 0.013,36 0.03,37 -0.084,39 18,40 14.214,41 0.735,42 3.909,43 3.381,44 1,45 0.783,46 66.542,47 6.061,48 6.061,49 21,50 1,52 51.582,55 1.048,56 3.574,57 3.574,58 129.704,59 3.531,60 3.852,61 1.618,62 1.207,63 1.315,64 1.618,66 55.916,67 0.618,68 1.372,69 1.372,70 2.635,72 2.854,73 1.791,74 2.671,75 53.397,76 10,77 -0.026,78 1.371,79 7.233,80 0.662,81 0.623,82 6.667,83 0.979,84 4.233,85 4.233,86 4.233,87 5.05,88 3.783,89 8.095,90 4,91 5.345,93 4.363,94 18.209,95 4.724,96 2,97 4,98 10.498,99 6.54,100 3.856,101 2.7,102 12.38,103 12.38,104 12.38,105 12.38,106 12.38,108 16.198,109 1.285,110 0.99,111 17.394,112 0.24,113 3.768,114 7.964,115 15.292,116 15.292,117 15.292,118 15.292,119 15.292,120 14.103,121 1.753,122 0.181,123 16.884,125 -4.87,126 4.96,127 4.009,128 37.81,130 1.095,131 0.127,132 -4.97,133 3.375,134 3.345,135 3.345,137 0.718,138 1.492,139 13.221,140 3.1,141 3.1,142 1.107,144 2.516,145 1,146 3.85,147 1.181,148 3.649,149 4.418,150 0.5,152 10.81,153 -0.229,154 -0.229,155 36.24,156 1.652,157 0.269,159 1.211,160 0.166,162 3.929,163 7.649,165 4.62,166 0.497,167 3.807,168 -1.1,169 -1.1,170 1,171 -0.433,172 -0.433,173 13.879,174 12,175 1.786,176 1.786,177 -0.057,178 25.939,179 -0.07,180 9.825,181 1.923,182 21.719,183 20.319,185 0.966,186 3.761,187 1.024,189 3,190 2.807,191 3.258,192 3.258,193 25,194 3.932,195 7.822,196 7.822,197 1.685,198 0.79,199 1.507,200 0.693,201 0.722,202 0.722,203 9.768,204 3.184,205 1.516,206 1.056,207 3.632,208 3.149,209 1.062,210 -0.397,211 0.542,212 4.2,215 1.027,216 1.838,217 0.821,218 3.419,219 1.605,221 0.44,222 3.238,223 0.96,224 0.96,225 3.825,226 0.876,227 0.507,228 -1.603,229 -1.603,230 37.331,231 82.407,232 3.775,233 4.796,234 120,235 4.71,236 1,237 1,238 14.96,239 1.95,242 1.546,243 1.546,244 22,245 37.82,246 27.807,248 6.102,249 0.886,250 3.771,251 8.203,252 240.939,253 0.982,254 70,255 1.547,256 8.431,257 2.207,258 2.207,259 3.764,260 1,261 10.359,262 0.027,263 0.924,264 1.25,265 4.626,266 4.571,267 6,268 1.29,269 12,270 3.7,273 3.653,274 2.049,275 2.049,276 4.775,277 90.107,278 18.861,279 8.379}
{0 CHEMBL271317,1 29.92,3 33.571,4 51.582,7 0.588,8 0.477,9 1.36,10 4.959,12 -0.007,13 0.68,14 0.68,15 8,16 2,17 0.307,18 0.537,19 0.643,22 4.518,23 4.518,24 0.015,25 2,26 4.338,27 18.818,29 1.921,30 -5.08,31 0.149,32 5.15,33 20.739,34 8.203,35 0.032,36 0.07,37 -0.09,39 20,40 11.167,41 0.821,42 3.855,43 3.442,44 2,45 0.886,46 81.502,47 6.377,48 6.377,49 22,50 2,51 0.657,52 51.582,55 0.946,56 3.636,57 3.636,58 172.312,59 3.545,60 3.842,61 1.825,62 1.057,63 2.675,64 2.035,66 93.821,67 0.983,68 2.261,69 2.261,70 2.715,72 2.854,73 1.893,74 2.735,75 103.609,76 16,77 -0.117,78 1.371,79 7.225,80 0.69,81 1.026,82 12.757,83 1.107,84 4.225,85 4.225,86 4.225,87 4.76,88 3.811,89 8.182,90 8,91 5.322,93 4.896,94 18.148,95 4.516,96 2,97 8,98 11.753,99 6.6,100 3.899,101 2.619,102 13.858,103 13.858,104 13.858,105 13.858,106 13.858,108 17.614,109 1.308,110 1.062,111 19.186,112 0.228,113 3.835,114 8.04,115 17.102,116 17.102,117 17.102,118 17.102,119 17.102,120 14.748,121 1.868,122 0.161,123 9.28,125 -5.44,126 8.2,127 4.043,128 37.81,130 1.143,131 0.113,132 -5.57,133 3.453,134 3.322,135 3.322,137 0.961,138 1.788,139 26.365,140 3.548,141 3.548,142 1.107,144 2.853,145 1.294,146 3.97,147 1.181,148 3.694,149 4.592,150 0.741,152 12.187,153 0.522,154 0.522,155 40.015,156 1.684,157 0.24,159 1.152,160 0.148,162 3.884,163 8.001,165 5.049,166 0.823,167 3.802,168 -0.23,169 -0.23,170 1,171 -0.099,172 -0.099,173 14.888,174 18,175 2.275,176 2.275,177 -0.044,178 22.318,179 -0.009,180 8.546,181 1.988,182 21.77,183 20.394,185 0.866,186 3.832,187 1.038,189 3.414,190 3.322,191 3.367,192 3.367,193 28,194 4.043,195 7.606,196 7.606,197 2,198 1.477,199 1.333,200 1,201 1,202 1,203 9.452,204 3.272,205 1.521,206 1.5,207 3.709,208 3.268,209 1.062,210 -0.089,211 0.376,212 4.297,215 0.965,216 2.478,217 0.821,218 3.457,219 1.775,221 0.391,222 3.414,223 1,224 1,225 3.841,226 0.782,227 0.508,228 -0.778,229 -0.778,230 41.905,231 90.745,232 3.845,233 4.905,234 134,235 4.864,236 2,237 2,238 29.92,239 1.958,240 0.35,242 1.908,243 1.908,244 25,245 42.61,246 28.983,248 5.782,249 0.886,250 3.799,251 9.273,252 220.586,253 1.181,254 96,255 1.735,256 9.228,257 2.283,258 2.283,259 3.788,260 1,261 8.917,262 0.035,263 0.86,264 1.027,265 6.841,266 4.565,267 8,268 1.116,269 18,270 4.248,271 4,273 3.688,274 2.857,275 2.857,276 4.776,277 108.096,278 18.937,279 7.493}
{0 CHEMBL271318,1 14.96,3 33.571,4 51.582,7 0.317,8 0.418,9 1.315,10 5.092,12 0.015,13 0.657,14 0.657,15 4,16 1,17 0.149,18 0.675,19 0.5,22 4.531,23 4.531,24 0.006,25 2,26 3.502,27 12.264,29 1.919,30 -4.37,31 0.067,32 5.049,33 24.002,34 8.201,35 0.013,36 0.03,37 -0.106,39 17,40 11.668,41 0.58,42 3.757,43 3.328,44 1,45 0.664,46 66.542,47 6.061,48 6.061,49 20,50 1,52 51.582,55 1.023,56 3.574,57 3.574,58 127.17,59 3.534,60 3.747,61 1,62 1.057,63 1.315,64 1.203,66 55.916,70 2.483,72 2.675,73 1.865,74 2.482,75 53.397,76 10,77 -0.039,78 1.222,79 7.233,80 0.668,81 0.623,82 6.639,83 0.967,84 4.233,85 4.233,86 4.233,87 4.868,88 3.685,89 7.595,90 4,91 5.347,93 4.116,94 18.21,95 4.529,96 2,97 4,98 9.998,99 6.124,100 3.858,101 2.726,102 11.88,103 11.88,104 11.88,105 11.88,106 11.88,108 15.382,109 1.072,110 0.913,111 16.701,112 0.245,113 3.772,114 7.474,115 14.585,116 14.585,117 14.585,118 14.585,119 14.585,120 13.436,121 1.825,122 0.189,123 14.35,125 -4.65,126 4.961,127 4.014,128 37.81,130 0.911,131 0.133,132 -4.73,133 3.352,134 3.347,135 3.347,137 0.699,138 1.491,139 13.168,140 3.111,141 3.111,142 0.992,144 2.515,145 1,146 3.802,147 1.079,148 3.644,149 4.35,150 0.5,152 10.31,153 -0.242,154 -0.242,155 34.082,156 1.639,157 0.28,159 1.276,160 0.173,162 3.836,163 7.513,165 4.629,166 0.445,167 3.713,168 -1.227,169 -1.227,170 1,171 -0.484,172 -0.484,173 13.172,174 12,175 0.907,176 0.907,177 -0.059,178 23.62,179 -0.097,180 8.083,181 2,182 21.72,183 20.321,185 0.938,186 3.766,187 1.033,189 2.765,190 2.807,191 3.219,192 3.219,193 24,194 3.892,195 7.824,196 7.824,197 1.354,198 0.401,199 1.226,200 0.367,201 0.376,202 0.376,203 9.648,204 3.163,205 1.501,206 0.971,207 3.376,208 3.105,209 1.001,210 -0.443,211 0.475,212 4.169,215 1.061,216 1.462,217 0.751,218 3.36,219 1.755,221 0.458,222 2.975,223 0.865,224 0.865,225 3.82,226 0.931,227 0.506,228 -1.61,229 -1.61,230 35.499,231 77.806,232 3.78,233 4.762,234 116,235 4.682,236 1,237 1,238 14.96,239 1.966,242 1.546,243 1.546,244 21,245 36.281,246 26.046,248 6.114,249 0.799,250 3.766,251 7.822,252 217.397,253 1.022,254 65,255 1.707,256 8.181,257 2.207,258 2.207,259 3.697,260 1,261 9.206,262 0.03,263 1.03,264 1.236,265 4.626,266 4.498,267 6,268 1.302,269 12,270 3.7,273 3.648,274 2.052,275 2.052,276 4.707,277 86.239,278 18.863,279 7.959}
{0 CHEMBL271418,2 1,3 33.571,4 51.582,6 20.124,7 5.422,8 0.689,9 5.335,10 4.607,12 0.425,13 3.825,14 3.825,15 9,17 8.058,18 0.865,19 0.581,22 4.533,23 4.533,24 18.783,25 2,26 4.61,27 21.249,29 1.871,30 -5.31,31 10.734,32 5.552,33 26.249,34 8.513,35 16.1,36 13.416,37 0.231,39 22,40 14.326,41 0.821,42 4.054,43 3.547,44 2,45 0.886,46 96.462,47 7.546,48 7.546,49 23,51 0.68,52 51.582,55 0.994,56 3.791,57 3.791,58 177.026,59 3.594,60 3.952,61 2,62 1.121,63 9.811,64 2.5,65 1,66 103.297,67 1.5,68 2.275,69 2.275,70 2.715,72 2.854,73 1.904,74 2.735,75 98.029,76 16,77 -0.011,78 1.664,79 7.229,80 0.676,81 3.095,82 15.208,83 1.107,84 4.229,85 4.229,86 4.229,87 5.011,88 3.921,89 9.185,90 9,91 6.46,92 9.388,93 5.378,94 18.885,95 4.768,96 1,97 9,98 13.007,99 7.419,100 3.898,101 2.851,102 15.366,103 15.366,104 15.366,105 15.366,106 15.366,107 17.441,108 19.611,109 1.678,110 1.062,111 20.86,112 0.219,113 3.842,114 9.046,115 18.833,116 18.833,117 18.833,118 18.833,119 18.833,120 16.413,121 1.877,122 0.146,123 11.815,125 -5.7,126 7.999,127 4.41,128 37.81,130 1.417,131 0.107,132 -5.84,133 3.514,134 4.46,135 4.46,137 1.104,138 1.719,139 38.765,140 3.47,141 3.47,142 1.139,144 2.791,145 1.399,146 4.074,147 1.181,148 3.718,149 4.74,150 0.936,152 13.504,153 2.136,154 2.136,155 44.06,156 1.716,157 0.229,159 1.155,160 0.135,162 4.029,163 8.336,164 12.074,165 5.031,166 1.155,167 3.94,168 0.498,169 0.498,170 1,171 0.191,172 0.191,173 16.736,174 18,175 2.508,176 2.508,177 -0.037,178 26.744,179 0.084,180 10.961,181 1.997,182 21.848,183 20.471,184 6.69,185 0.909,186 3.835,187 1.021,188 14.758,189 3.414,190 3.322,191 3.466,192 3.466,193 31,194 4.143,195 7.891,196 7.891,197 2,198 1.5,199 1.511,200 1,201 1,202 1,203 9.545,204 3.324,205 1.492,206 1.638,207 3.972,208 3.375,209 1.137,210 0.184,211 0.771,212 4.395,213 3.903,215 0.878,216 2.5,217 0.821,218 3.56,219 1.747,221 0.376,222 3.566,223 1.402,224 1.402,225 3.865,226 0.826,227 0.559,228 -0.404,229 -0.404,230 46.901,231 101.04,232 3.837,233 5.017,234 150,235 4.959,236 3,237 3,238 44.88,239 1.958,240 0.712,241 1,242 1.85,243 1.85,244 28,245 46.467,246 32.444,248 6.711,249 0.886,250 3.822,251 10.779,252 202.437,253 1.181,254 107,255 1.713,256 10.003,257 2.474,258 2.474,259 3.943,261 10.587,262 0.041,263 0.623,264 1.056,265 7.137,266 4.668,267 7,268 1.149,269 18,270 4.248,271 9,272 0.4,273 3.713,274 2.819,275 2.819,276 4.873,277 121.851,278 19.018,279 9.097}
{0 CHEMBL271419,1 14.96,3 33.571,4 51.582,7 0.588,8 0.382,9 1.36,10 5.867,12 0.006,13 0.68,14 0.68,15 9,16 1,17 0.307,18 0.715,19 0.667,22 4.518,23 4.518,24 0.015,25 2,26 3.959,27 15.674,29 1.921,30 -4.76,31 0.149,32 5.049,33 20.723,34 8.201,35 0.032,36 0.07,37 -0.076,39 20,40 11.399,41 0.821,42 3.856,43 3.43,44 2,45 0.886,46 66.542,47 6.063,48 6.063,49 22,50 1,51 0.657,52 51.582,55 0.947,56 3.576,57 3.576,58 172.668,59 3.528,60 3.845,61 1.819,62 1.057,63 2.675,64 2.03,66 103.297,67 0.977,68 2.136,69 2.136,70 2.715,72 2.854,73 1.899,74 2.735,75 103.964,76 16,77 -0.095,78 1.27,79 7.225,80 0.692,81 1.026,82 16.777,83 1.107,84 4.225,85 4.225,86 4.225,87 4.755,88 3.794,89 8.108,90 9,91 5.322,93 4.861,94 18.148,95 4.504,96 2,97 9,98 11.478,99 6.552,100 3.89,101 2.586,102 13.392,103 13.392,104 13.392,105 13.392,106 13.392,108 17.193,109 1.239,110 1.062,111 18.781,112 0.231,113 3.836,114 7.946,115 16.654,116 16.654,117 16.654,118 16.654,119 16.654,120 14.378,121 1.872,122 0.167,123 9.28,125 -5.08,126 4.97,127 3.999,128 37.81,130 1.126,131 0.117,132 -5.19,133 3.448,134 3.322,135 3.322,137 0.821,138 1.493,139 13.263,140 3.451,141 3.451,142 1.107,144 2.516,145 1.281,146 3.934,147 1.181,148 3.693,149 4.546,150 0.722,152 11.793,153 0.143,154 0.143,155 38.629,156 1.674,157 0.249,159 1.157,160 0.153,162 3.886,163 7.89,165 5.031,166 0.801,167 3.789,168 -0.287,169 -0.287,170 1,171 -0.124,172 -0.124,173 14.465,174 18,175 2.235,176 2.235,177 -0.05,178 22.227,179 -0.016,180 8.514,181 1.995,182 21.726,183 20.347,185 0.876,186 3.828,187 1.038,189 3.247,190 3.322,191 3.332,192 3.332,193 27,194 4.007,195 7.554,196 7.554,197 2,198 1.475,199 1.336,200 1,201 1,202 1,203 9.595,204 3.269,205 1.502,206 1.5,207 3.712,208 3.229,209 1.062,210 -0.111,211 0.473,212 4.258,215 0.954,216 2.476,217 0.821,218 3.459,219 1.776,221 0.405,222 3.414,223 1,224 1,225 3.841,226 0.806,227 0.539,228 -1.223,229 -1.223,230 40.128,231 90.528,232 3.822,233 4.86,234 128,235 4.824,236 1,237 1,238 14.96,239 1.959,240 0.345,242 1.547,243 1.547,244 24,245 40.47,246 29.046,248 5.782,249 0.886,250 3.797,251 8.885,252 217.397,253 1.181,254 80,255 1.735,256 8.817,257 2.207,258 2.207,259 3.779,260 1,261 8.914,262 0.035,263 1.146,264 1.014,265 6.637,266 4.55,267 7,268 1.087,269 18,270 4.248,271 6,273 3.688,274 2.812,275 2.812,276 4.766,277 102.039,278 18.883,279 7.699}
{0 CHEMBL27173,1 13.915,2 4,4 60.683,7 0.739,8 1,9 1.72,10 3.727,12 -0.095,13 0.86,14 0.86,15 2,17 0.593,18 0.707,19 0.556,22 4.679,23 4.679,24 0.217,25 4,26 1.459,27 2.128,28 1,29 1.767,30 -2.63,31 0.469,32 4.64,33 8.126,34 5.033,35 0.283,36 0.366,37 0.024,39 13,40 3.739,41 0.359,42 2.77,43 3.079,44 1,45 0.503,46 49.683,47 4.635,48 4.635,49 13,52 49.683,54 3.1,55 1.009,56 3.336,57 3.336,58 108.316,59 2.992,60 3.535,61 0.183,62 0.956,63 1.72,64 0.429,65 1,66 28,67 -0.864,68 -1.712,69 -1.712,70 2.156,72 2.322,73 1.65,74 2.175,75 44.332,76 8,77 -0.053,78 0.487,79 7.639,80 0.65,81 0.908,82 6.242,83 0.807,84 4.639,85 4.639,86 4.639,87 3.886,88 3.471,89 5.781,90 3,91 5.398,93 3.127,94 18.897,95 3.503,97 2,98 7.652,99 4.673,100 3.682,101 2.435,102 8.874,103 8.874,104 8.874,105 8.874,106 8.874,108 11.744,109 0.279,110 0.785,111 12.425,112 0.284,113 3.527,114 5.682,115 11.284,116 11.284,117 11.284,118 11.284,119 11.284,120 10.004,121 1.592,122 0.26,123 47.199,125 -2.71,126 4.953,127 3.876,128 51.04,130 0.563,131 0.18,132 -2.69,133 3.242,134 3.398,135 3.398,137 -0.248,138 1.034,140 2.765,141 2.765,142 0.876,144 2.041,145 0.617,146 3.536,147 0.929,148 3.314,149 3.954,150 -0.5,152 7.898,153 -2.687,154 -2.687,155 25.947,156 1.558,157 0.384,159 1.123,160 0.235,162 3.206,163 6.72,165 3.749,166 -0.436,167 3.002,168 -3.645,169 -3.645,171 -1.382,172 -1.382,173 10.134,174 8.5,175 -1.257,176 -1.257,177 0.095,178 12.344,179 -0.339,180 2.337,181 1.854,182 23.021,183 21.496,185 0.937,186 3.528,187 1.037,189 2,190 2.585,191 2.944,192 2.944,193 18,194 3.611,195 5.988,196 5.988,197 0.45,198 -0.605,199 1.158,200 -0.479,201 -0.507,202 -0.507,204 3.064,205 1.509,206 -0.353,207 2.155,208 2.857,209 0.834,210 -1.287,211 0.852,212 3.869,215 1.308,216 0.795,217 0.459,218 3.111,219 1.543,221 0.646,222 2.29,223 -0.31,224 -0.31,225 3.578,226 0.848,227 1.15,228 -4.481,229 -4.481,230 26.991,231 64.746,232 3.571,233 4.466,234 86,235 4.401,239 1.97,240 -0.887,241 1,242 1.086,243 1.086,244 16,245 27.995,246 20.796,248 5.878,249 0.523,250 3.491,251 5.921,252 105.94,253 0.854,254 41,255 1.484,256 6.027,257 1.645,258 1.645,259 3.317,260 1,261 3.712,262 0.044,263 1.391,264 0.991,265 3.534,266 4.238,267 3,268 1.074,269 10,270 3.459,273 3.326,274 1.562,275 1.562,276 4.533,277 64,278 19.956,279 8.31}
{0 CHEMBL272082,2 1,3 33.571,4 51.582,7 0.05,8 0.393,9 0.8,10 7.462,12 0.098,13 0.4,14 0.4,15 4,17 0.008,18 1.636,19 0.462,22 4.529,23 4.529,25 2,26 3.812,27 14.531,29 1.86,30 -4.63,31 0.001,32 5.05,33 31.309,34 4.963,37 -0.03,39 20,40 18.266,41 0.821,42 4.113,43 3.468,44 1,45 0.886,46 51.582,47 6.062,48 6.062,49 22,52 51.582,55 1.092,56 3.573,57 3.573,58 135.129,59 3.542,60 3.964,61 1.618,62 1.196,63 0.8,64 1.618,65 1,66 55.916,67 0.618,68 1.372,69 1.372,70 2.715,71 8.825,72 2.869,73 1.791,74 2.735,75 47.462,76 10,77 0.008,78 1.524,79 7.231,80 0.654,81 0.278,82 8.811,83 1.107,84 4.231,85 4.231,86 4.231,87 5.254,88 3.867,89 8.932,90 4,91 5.333,93 4.613,94 18.209,95 4.935,96 1,97 4,98 11.113,99 7.204,100 3.866,101 2.704,102 12.88,103 12.88,104 12.88,105 12.88,106 12.88,108 17.368,109 1.452,110 1.062,111 18.087,112 0.235,113 3.784,114 8.701,115 15.999,116 15.999,117 15.999,118 15.999,119 15.999,120 15.044,121 1.752,122 0.174,123 19.419,125 -4.94,126 4.68,127 4.009,128 37.81,130 1.307,131 0.122,132 -5.04,133 3.454,134 3.333,135 3.333,137 0.947,138 1.572,140 3.099,141 3.099,142 1.272,144 2.584,145 1.022,146 3.893,147 1.271,148 3.662,149 4.483,150 0.581,152 11.31,153 0.095,154 0.095,155 37.528,156 1.666,157 0.259,159 1.211,160 0.16,162 4.07,163 7.785,165 4.628,166 0.754,167 3.933,168 -0.503,169 -0.503,170 1,171 -0.216,172 -0.216,173 14.586,174 12,175 1.95,176 1.95,177 -0.064,178 29.934,179 0.069,180 12.331,181 1.921,182 21.715,183 20.316,185 1.027,186 3.776,187 1.008,189 3,190 2.807,191 3.296,192 3.296,193 26,194 3.97,195 7.816,196 7.816,197 1.792,198 0.88,199 1.507,200 0.795,201 0.817,202 0.817,203 10.079,204 3.263,205 1.479,206 1.188,207 3.961,208 3.19,209 1.253,210 -0.208,211 1.629,212 4.247,215 0.89,216 1.915,217 0.912,218 3.53,219 1.594,221 0.423,222 3.264,223 1,224 1,225 3.838,226 1.601,227 0.848,228 -0.648,229 -0.648,230 38.352,231 91.987,232 3.775,233 4.828,234 124,235 4.736,239 1.953,240 0.218,241 1,242 1.603,243 1.603,244 23,245 38.97,246 31.393,248 6.102,249 1,250 3.781,251 8.57,252 261.292,253 1.181,254 75,255 1.522,256 8.681,257 2.207,258 2.207,259 3.895,261 11.971,262 0.027,263 0.732,264 1.228,265 4.487,266 4.672,267 6,268 1.301,269 12,270 3.7,271 4,273 3.671,274 2.058,275 2.058,276 4.874,277 96.042,278 18.858,279 8.602}
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{0 CHEMBL273163,1 17.244,3 16.663,4 71.844,5 1,7 0.739,8 1.307,9 1.72,10 1.599,12 0.01,13 0.86,14 0.86,15 2,17 0.593,18 1.153,19 0.636,20 1.913,21 1,22 4.805,23 4.805,24 0.217,25 1,26 2.313,27 5.35,28 2,29 1.871,30 -3.36,31 0.469,32 5.148,33 19.704,34 5.191,35 0.283,36 0.366,37 -0.027,39 15,40 8.598,41 0.603,42 3.533,43 3.232,44 1,45 0.711,46 51.337,47 6.189,48 6.189,49 12,52 51.337,54 5.1,55 1.182,56 3.979,57 3.979,58 135.329,59 3.289,60 3.625,61 0.727,62 1.044,63 1.72,64 1.002,66 28.429,67 -0.269,68 -0.624,69 -0.624,70 2.317,71 28.533,72 2.669,73 1.662,74 2.327,75 61.701,76 9,77 -0.035,78 0.896,79 7.892,80 0.641,81 0.908,82 6.04,83 1.143,84 4.892,85 4.892,86 4.892,87 4.672,88 3.604,89 6.732,90 3,91 5.407,93 3.545,94 19.537,95 4.369,96 1,97 3,98 9.173,99 5.445,100 3.776,101 2.727,102 10.758,103 10.758,104 10.758,105 10.758,106 10.758,108 14.243,109 0.675,110 1.132,111 14.334,112 0.264,113 3.584,114 6.488,115 13.55,116 13.55,117 13.55,118 13.55,119 13.55,120 11.654,121 1.605,122 0.218,123 37.537,125 -3.52,126 5.009,127 4.223,128 66.21,130 0.795,131 0.152,132 -3.54,133 3.374,134 3.407,135 3.407,137 0.107,138 1.485,140 2.948,141 2.948,142 1.198,144 2.511,145 0.495,146 3.734,147 1.169,148 3.424,149 4.231,151 1,152 9.635,153 -1.744,154 -1.744,155 32.145,156 1.627,157 0.319,159 1.093,160 0.196,161 1,162 3.67,163 7.376,165 4.898,166 0.07,167 3.548,168 -2,169 -2,170 1,171 -0.917,172 -0.917,173 12.032,174 10.5,175 0.465,176 0.465,177 -0.021,178 21.48,179 -0.238,180 5.694,181 1.885,182 23.859,183 22.285,185 1.023,186 3.608,187 0.979,189 2.642,190 3,191 3.135,192 3.135,193 22,194 3.807,195 7.163,196 7.163,197 1.202,198 0.359,199 1.298,200 0.283,201 0.319,202 0.319,203 4.506,204 3.178,205 1.531,206 0.485,207 3.199,208 3.06,209 1.179,210 -0.902,211 1.119,212 4.113,215 1.212,216 1.471,217 0.944,218 3.245,219 1.628,221 0.548,222 2.707,223 0.435,224 0.435,225 3.657,226 0.908,227 1.106,228 -2.659,229 -2.659,230 33.379,231 78.424,232 3.721,233 4.691,234 108,235 4.649,239 1.954,240 -0.206,241 2,242 1.549,243 1.549,244 20,245 35.415,246 25.017,248 6.155,249 0.993,250 3.59,251 7.371,252 164.795,253 1.117,254 58,255 1.572,256 7.338,257 2.104,258 2.104,259 3.636,260 1,261 6.788,262 0.066,263 1.486,264 1.239,265 4.536,266 4.481,267 2,268 1.335,269 14,270 3.907,271 1,273 3.432,274 2.341,275 2.341,276 4.69,277 86.439,278 20.704,279 7.42}
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{0 CHEMBL293932,1 13.915,2 6,4 45.796,7 0.903,8 0.72,9 1.72,10 4.21,12 -0.148,13 0.86,14 0.86,15 7,17 0.678,18 0.559,19 0.667,22 4.55,23 4.55,24 0.221,25 5,26 3.353,27 11.24,28 1,29 1.841,30 -4.24,31 0.512,32 5.092,33 18.157,34 5.002,35 0.293,36 0.387,37 0.068,39 18,40 8.675,41 0.821,42 3.482,43 3.347,44 2,45 0.884,46 34.796,47 5.912,48 5.912,49 15,50 1,51 0.657,52 34.796,54 2.4,55 0.934,56 3.614,57 3.614,58 147.639,59 3.304,60 3.77,61 1.219,62 1.023,63 3.035,64 1.515,65 1,66 93.392,67 0.369,68 0.55,69 0.55,70 2.715,71 10.883,72 2.854,73 1.904,74 2.735,75 106.096,76 14,77 -0.087,78 0.803,79 7.504,80 0.687,81 1.207,82 16.126,83 1.086,84 4.504,85 4.504,86 4.504,87 4.458,88 3.701,89 7.299,90 8,91 5.184,93 4.263,94 17.018,95 4.188,97 7,98 10.151,99 5.876,100 3.918,101 2.532,102 11.792,103 11.792,104 11.792,105 11.792,106 11.792,108 15.754,109 0.697,110 1.055,111 16.296,112 0.248,113 3.864,114 7.062,115 15.162,116 15.162,117 15.162,118 15.162,119 15.162,120 12.705,121 1.88,122 0.19,123 6.746,125 -4.51,126 4.938,127 4.011,128 37.05,130 0.839,131 0.129,132 -4.58,133 3.425,134 3.184,135 3.184,137 0.631,138 1.377,140 3.121,141 3.121,142 1.107,144 2.405,145 1,146 3.831,147 1.181,148 3.433,149 4.407,150 0.5,152 10.758,153 -0.319,154 -0.319,155 33.107,156 1.637,157 0.273,159 1.148,160 0.17,162 3.541,163 7.571,165 4.889,166 0.351,167 3.389,168 -1.204,169 -1.204,171 -0.56,172 -0.56,173 13.257,174 14.5,175 1.021,176 1.021,177 -0.029,178 18.291,179 0.046,180 6.272,181 2.001,182 22.609,183 21.128,185 0.894,186 3.855,187 1.001,189 2.771,190 3.17,191 3.219,192 3.219,193 24,194 3.892,195 6.73,196 6.73,197 1.427,198 0.575,199 1.277,200 0.456,201 0.509,202 0.509,204 3.219,205 1.487,206 1.083,207 3.402,208 3.145,209 1.062,210 -0.479,211 0.595,212 4.083,215 0.929,216 1.675,217 0.822,218 3.388,219 1.651,221 0.432,222 2.918,223 0.826,224 0.826,225 3.641,226 0.974,227 0.765,228 -2.016,229 -2.016,230 35.029,231 91.028,232 3.992,233 4.727,234 112,235 4.691,239 1.918,242 1.452,243 1.452,244 22,245 36.049,246 28.176,248 5.412,249 0.886,250 3.582,251 8.084,252 176.567,253 1.124,254 82,255 1.594,256 7.821,257 2.121,258 2.121,259 3.472,261 6.397,262 0.033,263 0.824,264 1.044,265 5.784,266 4.359,267 4,268 1.062,269 16,270 4.087,271 6,273 3.435,274 2.671,275 2.671,276 4.605,277 94.107,278 19.617,279 6.614}
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{0 CHEMBL370110,1 1.358,3 90.567,4 71.213,6 3.279,7 2.068,8 0.398,9 2.38,10 5.511,12 -0.096,13 1.257,14 1.257,15 4,17 2.18,18 1.257,19 0.421,22 4.648,23 4.648,24 3.441,26 2.202,27 4.848,28 1,29 1.963,30 -3.26,31 2.408,32 5.772,33 32.414,34 7.428,35 3.06,36 2.709,37 0.258,38 1,39 25,40 14.303,41 1.064,42 4.087,43 3.752,44 1,45 1.153,46 46.068,47 7.854,48 7.854,49 29,51 0.916,52 46.068,54 1.6,55 1.057,56 4.352,57 4.352,58 159.73,59 3.657,60 4.241,61 2.303,62 1.213,63 9.889,64 2.739,66 37.905,67 1.826,68 3.516,69 3.516,70 2.936,71 8.396,72 3.111,73 1.833,74 2.952,75 78.381,76 15,77 0.009,78 1.617,79 7.447,80 0.681,81 2.168,82 12.36,83 1.429,84 4.447,85 4.447,86 4.447,87 5.135,88 4.178,89 11.556,90 6,91 5.785,92 1.482,93 6.311,94 19.259,95 4.854,97 4,98 15.12,99 9.184,100 4.034,101 3.046,102 18.775,103 18.775,104 18.775,105 18.775,106 18.775,107 2.797,108 24.302,109 1.44,110 1.376,111 26.353,112 0.195,113 4.002,114 11.216,115 22.878,116 22.878,117 22.878,118 22.878,119 22.878,120 21.046,121 1.793,122 0.122,123 22.504,124 1,125 -3.41,126 4.982,127 4.533,128 57.5,130 1.358,131 0.087,132 -3.43,133 3.654,134 3.785,135 3.785,136 1,137 2.081,138 2.042,140 3.164,141 3.164,142 1.456,143 1,144 3.148,145 1.609,146 4.257,147 1.513,148 3.632,149 4.997,150 2,151 4,152 16.17,153 2.796,154 2.796,155 54.583,156 1.746,157 0.184,159 1.291,160 0.112,162 4.199,163 8.751,164 1.876,165 5.494,166 1.967,167 4.065,168 2.275,169 2.275,170 2,171 1,172 1,173 20.796,174 18,175 3.625,176 3.625,177 -0.322,178 34.682,179 0.043,180 10.234,181 2.003,182 22.929,183 21.459,184 1.178,185 0.974,186 3.971,187 1.039,188 2.324,189 4.036,190 3.459,191 3.664,192 3.664,193 38,194 4.344,195 8.651,196 8.651,197 2.527,198 1.95,199 1.613,200 1.495,201 1.568,202 1.568,203 4.446,204 3.459,205 1.561,206 2.035,207 3.945,208 3.532,209 1.417,210 0.965,211 1.296,212 4.6,213 0.931,215 0.917,216 2.852,217 1.138,218 3.793,219 1.769,220 31.278,221 0.312,222 4.211,223 1.618,224 1.618,225 3.878,226 1.133,227 0.51,228 2.021,229 2.021,230 58.638,231 133.983,232 4.041,233 5.231,234 186,235 5.165,239 2.026,240 1.661,242 2.23,243 2.23,244 33,245 59.265,246 41.512,248 6.689,249 1.201,250 3.809,251 12.279,252 306.049,253 1.46,254 143,255 1.703,256 13.279,257 2.597,258 2.597,259 4.155,261 11.866,262 0.044,263 1.771,264 1.153,265 7.821,266 4.994,267 5,268 1.151,269 18,270 4.248,272 0.8,273 3.623,274 2.608,275 2.608,276 5.231,277 162.465,278 19.964,279 6.745}
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{0 CHEMBL370607,1 6.98,2 1,3 11,4 69.341,7 1.723,8 0.434,9 2.302,10 5.795,12 -0.074,13 1.151,14 1.151,15 10,17 1.865,18 0.989,19 0.618,20 1.881,22 4.623,23 4.623,24 2.743,25 2,26 3.76,27 14.134,28 3,29 1.95,30 -4.59,31 2.048,32 5.827,33 41.083,34 5.259,35 2.495,36 2.261,37 -0.126,39 23,40 10.809,41 0.852,42 4,43 3.626,44 3,45 0.918,46 37.607,47 8.156,48 8.156,49 26,50 1,51 0.86,52 83.561,54 6.3,55 0.77,56 4.054,57 4.054,58 166.66,59 3.728,60 4.063,61 2.11,62 1.11,63 4.022,64 2.527,65 1,66 127.66,67 1.537,68 3.102,69 3.102,70 2.762,72 2.901,73 1.915,74 2.773,75 157.31,76 18,77 -0.15,78 1.283,79 7.603,80 0.72,81 1.635,82 20.087,83 1.116,84 4.603,85 4.603,86 4.603,87 4.767,88 4.033,89 9.652,90 10,91 5.658,93 5.562,94 19.149,95 4.553,96 1,97 10,98 13.101,99 7.689,100 4.045,101 3.072,102 16.862,103 16.862,104 16.862,105 16.862,106 16.862,108 20.913,109 1.028,110 1.119,111 23.581,112 0.206,113 3.952,114 9.458,115 19.997,116 19.997,117 19.997,118 19.997,119 19.997,120 18.516,121 1.892,122 0.136,123 4.64,125 -4.89,126 4.99,127 4.505,128 62.55,130 0.942,131 0.097,132 -4.99,133 3.672,134 3.658,135 3.658,137 1.761,138 1.931,140 3.758,141 3.758,142 1.188,144 2.994,145 1.541,146 4.134,147 1.208,148 3.756,149 4.807,150 1.529,152 14.153,153 2.717,154 2.717,155 49.753,156 1.723,157 0.203,159 1.235,160 0.125,161 1,162 4.159,163 8.432,165 5.275,166 1.722,167 4.028,168 2.199,169 2.199,171 0.784,172 0.784,173 17.466,174 19,175 3.371,176 3.371,177 0.075,178 40.762,179 -0.062,180 9.522,181 2.003,182 23.078,183 21.592,185 0.762,186 3.963,187 1.069,189 4.068,190 3.524,191 3.555,192 3.555,193 34,194 4.234,195 9.345,196 9.345,197 2.355,198 1.925,199 1.517,200 1.327,201 1.385,202 1.385,204 3.54,205 1.563,206 2.096,207 3.827,208 3.409,209 1.167,210 0.728,211 0.832,212 4.541,215 1.027,216 2.803,217 0.919,218 3.641,219 1.891,220 45.954,221 0.343,222 4.17,223 1.541,224 1.541,225 3.823,226 1.043,227 0.987,228 0.851,229 0.851,230 52.989,231 114.192,232 4.138,233 5.142,234 170,235 5.095,239 2.024,240 1.159,242 2.122,243 2.122,244 29,245 53.68,246 34.58,248 6.635,249 0.934,250 3.801,251 10.739,252 164.795,253 1.138,254 106,255 1.879,256 11.902,257 2.607,258 2.607,259 4.124,261 11.693,262 0.049,263 1.059,264 1.018,265 7.128,266 4.842,267 6,268 1.12,269 21,270 4.459,271 7,273 3.774,274 2.908,275 2.908,276 5.039,277 140.881,278 20.076,279 6.593}
{0 CHEMBL370652,1 13.13,2 2,3 29.85,4 46.28,6 20.124,7 5.435,8 0.715,9 5.335,10 2.963,12 0.368,13 3.825,14 3.825,15 8,17 8.059,18 0.982,19 0.515,21 1,22 4.439,23 4.439,24 18.783,25 2,26 4.681,27 21.912,28 1,29 1.836,30 -5.37,31 10.734,32 5.696,33 22.643,34 8.513,35 16.1,36 13.416,37 0.274,38 1,39 23,40 10.815,41 1.019,42 3.873,43 3.619,44 2,45 1.053,46 66.015,47 7.963,48 7.963,49 22,51 1.058,52 21.135,54 2,55 0.904,56 3.835,57 3.835,58 158.963,59 3.749,60 4.058,61 2,62 1.126,63 11.945,64 2.497,66 102.412,67 1.425,68 2.275,69 2.275,70 2.715,72 2.859,73 1.926,74 2.735,75 121.217,76 17,77 0.001,78 1.539,79 6.971,80 0.692,81 3.202,82 18.864,83 1.266,84 3.971,85 3.971,86 3.971,87 4.778,88 4.003,89 9.654,90 11,91 6.46,92 9.389,93 5.574,94 18.536,95 4.55,97 10,98 13.365,99 7.724,100 3.955,101 2.883,102 16.323,103 16.323,104 16.323,105 16.323,106 16.323,107 17.441,108 20.969,109 1.308,110 1.223,111 21.959,112 0.213,113 3.888,114 9.413,115 19.936,116 19.936,117 19.936,118 19.936,119 19.936,120 17.641,121 1.901,122 0.135,123 26.862,125 -5.77,126 7.999,127 4.323,128 32.34,130 1.176,131 0.1,132 -5.91,133 3.707,134 4.46,135 4.46,136 1,137 1.749,138 1.82,139 38.076,140 3.476,141 3.476,142 1.35,144 2.891,145 1.397,146 4.131,147 1.259,148 3.697,149 4.832,150 1.223,152 14.381,153 1.903,154 1.903,155 46.911,156 1.722,157 0.215,159 1.211,160 0.126,162 3.976,163 8.473,164 12.074,165 5.33,166 1.7,167 3.86,168 1.732,169 1.732,171 0.721,172 0.721,173 17.877,174 17.5,175 2.46,176 2.46,177 -0.025,178 30.119,179 -0.004,180 8.946,181 2.011,182 21.238,183 19.932,184 6.69,185 0.881,186 3.884,187 1.006,188 14.758,189 3.414,190 3.392,191 3.526,192 3.526,193 33,194 4.205,195 8.487,196 8.487,197 2.026,198 1.5,199 1.427,200 1.021,201 1.017,202 1.017,204 3.628,205 1.512,206 1.757,207 3.779,208 3.44,209 1.355,210 0.703,211 1.028,212 4.445,213 3.911,215 0.974,216 2.5,217 1.094,218 3.655,219 1.611,220 31.278,221 0.353,222 3.476,223 1.325,224 1.325,225 3.873,226 0.929,227 0.545,228 1.372,229 1.372,230 50.67,231 114.678,232 3.925,233 5.081,234 160,235 5.026,236 3,237 3,238 44.88,239 1.913,240 0.993,241 1,242 1.95,243 1.95,244 30,245 49.689,246 35.302,247 1,248 6.235,249 1.139,250 3.823,251 11.529,252 211.88,253 1.219,254 122,255 1.551,256 10.72,257 2.624,258 2.624,259 3.926,261 10.391,262 0.044,263 0.705,264 0.976,265 7.219,266 4.712,267 5,268 1.181,269 18,270 4.248,271 9,272 0.916,273 3.728,274 2.787,275 2.787,276 4.926,277 138.452,278 18.528,279 6.131}
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{0 CHEMBL371289,1 3.074,2 4,3 44.826,4 64.38,6 9.674,7 2.953,8 0.434,9 3.306,10 4.737,11 1,12 0.055,13 1.907,14 1.907,15 7,17 4.047,18 1.138,19 0.485,22 4.563,23 4.563,24 9.051,25 3,26 3.39,27 11.49,28 1,29 1.949,30 -4.27,31 5.252,32 5.662,33 29.267,34 7.429,35 7.771,36 6.502,37 0.092,38 1,39 23,40 14.011,41 1.064,42 3.96,43 3.648,44 2,45 1.143,46 39.235,47 7.431,48 7.431,49 25,51 0.8,52 39.235,54 1.8,55 1.021,56 4.072,57 4.072,58 149.471,59 3.547,60 4.143,61 2.041,62 1.142,63 7.312,64 2.495,65 1,66 66.334,67 1.492,68 2.612,69 2.612,70 2.91,71 8.825,72 3.111,73 1.929,74 2.941,75 88.937,76 14,77 -0.073,78 1.427,79 7.49,80 0.682,81 2.194,82 14.938,83 1.337,84 4.49,85 4.49,86 4.49,87 5.019,88 4.06,89 10.384,90 7,91 5.665,92 4.414,93 5.551,94 18.04,95 4.735,97 7,98 13.335,99 8.27,100 4.014,101 2.981,102 16.307,103 16.307,104 16.307,105 16.307,106 16.307,107 8.374,108 21.401,109 1.326,110 1.316,111 22.77,112 0.21,113 3.948,114 10.066,115 20.016,116 20.016,117 20.016,118 20.016,119 20.016,120 18.499,121 1.909,122 0.138,123 33.608,124 1,125 -4.54,126 4.948,127 4.45,128 48.47,130 1.389,131 0.096,132 -4.62,133 3.581,134 3.665,135 3.665,136 1,137 1.807,138 2.047,140 2.97,141 2.97,142 1.429,143 1,144 3.117,145 1.452,146 4.123,147 1.465,148 3.614,149 4.809,150 1.308,152 14.187,153 2.275,154 2.275,155 48.107,156 1.713,157 0.203,159 1.303,160 0.125,162 4.082,163 8.383,164 5.75,165 5.302,166 1.701,167 3.909,168 1.718,169 1.718,170 1,171 0.719,172 0.719,173 18.001,174 16.5,175 3.044,176 3.044,177 -0.19,178 29.948,179 -0.029,180 10.081,181 2.033,182 22.735,183 21.265,184 3.061,185 0.953,186 3.944,187 1.025,188 7.068,189 3.568,190 3.322,191 3.526,192 3.526,193 33,194 4.205,195 7.799,196 7.799,197 2.351,198 1.62,199 1.53,200 1.348,201 1.35,202 1.35,203 4.709,204 3.448,205 1.54,206 1.951,207 3.883,208 3.408,209 1.376,210 0.704,211 1.075,212 4.483,213 1.738,215 1.007,216 2.61,217 1.079,218 3.702,219 1.762,220 31.052,221 0.33,222 3.771,223 1.468,224 1.468,225 3.856,226 0.794,227 0.549,228 1.18,229 1.18,230 50.269,231 121.326,232 3.968,233 5.081,234 160,235 5.017,239 1.967,240 1.021,241 1,242 2.115,243 2.115,244 29,245 50.95,246 37.5,247 1,248 6.684,249 1.153,250 3.789,251 10.78,252 270.735,253 1.281,254 108,255 1.695,256 11.279,257 2.416,258 2.416,259 4.048,261 10.714,262 0.039,263 0.618,264 0.972,265 6.514,266 4.896,267 4,268 1.145,269 17,270 4.17,271 4,272 0.8,273 3.608,274 2.66,275 2.66,276 5.148,277 136.881,278 19.769,279 9.658}
{0 CHEMBL371300,1 2.144,2 1,3 71.117,4 94.02,5 1,8 1.292,10 0.254,12 -0.055,15 3,18 0.96,19 0.667,20 1.805,21 1,22 4.55,23 4.55,25 3,26 1.01,27 1.021,28 1,29 1.481,30 -2.25,32 4.514,33 5.703,34 6.471,37 -0.193,39 10,40 2.064,42 2.436,43 2.865,44 1,46 51.337,47 4.59,48 4.59,49 9,52 51.337,54 3.7,55 1.015,56 3.07,57 3.07,58 104.461,59 3.076,60 3.246,61 -0.363,62 0.561,64 -0.014,65 1,66 28.429,67 -1.562,68 -3.153,69 -3.153,70 1.605,71 8.825,72 2.008,73 1.657,74 1.564,75 33.146,76 7,77 -0.159,78 0.281,79 7.502,80 0.64,82 6.97,83 0.531,84 4.502,85 4.502,86 4.502,87 3.404,88 3.214,89 4.501,90 4,91 5.148,93 2.585,94 17.087,95 3.102,96 2,97 3,98 6.392,99 3.663,100 3.636,101 2.246,102 7.415,103 7.415,104 7.415,105 7.415,106 7.415,108 9.735,109 0.142,110 0.519,111 9.652,112 0.322,113 3.465,114 4.366,115 9.154,116 9.154,117 9.154,118 9.154,119 9.154,120 7.849,121 1.584,122 0.303,123 35.003,125 -2.28,126 5.051,127 3.655,128 64.07,130 0.5,131 0.206,132 -2.24,133 2.991,134 3.148,135 3.148,137 -0.5,138 0.684,140 2.689,141 2.689,142 0.875,144 1.674,145 -0.527,146 3.373,147 0.823,148 3.16,149 3.714,150 -0.764,152 6.665,153 -4.493,154 -4.493,155 21.624,156 1.511,157 0.437,159 1.058,160 0.271,161 1,162 2.835,163 6.311,165 4.029,166 -0.938,167 2.657,168 -5.221,169 -5.221,171 -1.883,172 -1.883,173 7.972,174 8.5,175 -2.721,176 -2.721,177 0.104,178 8.801,179 -0.107,180 1.372,181 1.88,182 22.569,183 21.075,185 0.946,186 3.462,187 0.932,189 1.211,190 2.585,191 2.773,192 2.773,193 15,194 3.434,195 5.776,196 5.776,197 -0.051,198 -1.316,199 0.993,200 -0.949,201 -1,202 -1,203 4.202,204 2.83,205 1.495,206 -1,207 1.795,208 2.735,209 0.873,210 -1.774,211 0.839,212 3.689,215 1.054,217 0.339,218 2.879,219 1.275,221 0.691,222 1.86,223 -0.903,224 -0.903,225 3.406,226 0.654,227 1.139,228 -6.021,229 -6.021,230 22.867,231 55.032,232 3.501,233 4.29,234 72,235 4.256,239 1.908,240 -1,241 1,242 0.719,243 0.719,244 14,245 23.46,246 17.279,248 5.244,249 0.468,250 3.346,251 5.133,252 82.398,253 0.53,254 27,255 1.2,256 4.598,257 1.741,258 1.741,259 2.883,260 1,261 2.639,262 0.054,263 2.852,264 0.936,265 3.418,266 3.732,267 1,268 1.516,269 10,270 3.459,273 3.139,274 1.749,275 1.749,276 3.968,277 53.303,278 19.56,279 7.921}
{0 CHEMBL371352,3 11,4 14.124,6 0.035,7 1.686,8 0.923,9 2.302,10 5.777,12 -0.14,13 1.151,14 1.151,15 8,17 1.811,18 1.844,19 0.48,22 4.493,23 4.493,24 2.731,26 3.568,27 12.729,28 1,29 1.891,30 -4.42,31 2.003,32 5.276,33 17.607,34 4.845,35 2.475,36 2.23,37 0.233,39 20,40 10.128,41 0.801,42 3.726,43 3.426,44 2,45 0.862,46 3.124,47 6.609,48 6.609,49 18,51 0.8,52 3.124,54 2.2,55 1.087,56 3.698,57 3.698,58 115.644,59 3.595,60 3.923,61 1.126,62 1.129,63 5.262,64 1.385,66 75.81,67 0.159,68 0.34,69 0.34,70 2.599,71 16.793,72 2.874,73 1.912,74 2.618,75 105.345,76 12,77 -0.009,78 1.125,79 7.018,80 0.663,81 1.711,82 17.741,83 1.093,84 4.018,85 4.018,86 4.018,87 4.652,88 3.848,89 8.107,90 8,91 5.636,92 0.188,93 4.303,94 19.123,95 4.356,97 8,98 10.486,99 6.482,100 3.797,101 2.7,102 12.414,103 12.414,104 12.414,105 12.414,106 12.414,107 0.054,108 16.459,109 0.884,110 1.046,111 17.107,112 0.242,113 3.75,114 7.824,115 15.085,116 15.085,117 15.085,118 15.085,119 15.085,120 14.372,121 1.888,122 0.18,123 7.175,125 -4.71,126 4.645,127 4.088,128 12.47,130 1.456,131 0.132,132 -4.8,133 3.494,134 3.636,135 3.636,137 0.603,138 1.523,140 2.87,141 2.87,142 1.308,144 2.533,145 1.303,146 3.851,147 1.417,148 3.588,149 4.403,150 0.559,152 10.72,153 -0.867,154 -0.867,155 36.882,156 1.654,157 0.276,159 1.255,160 0.171,162 3.983,163 7.659,164 0.125,165 4.587,166 0.609,167 3.787,168 -0.893,169 -0.893,171 -0.345,172 -0.345,173 13.631,174 12,175 2.163,176 2.163,177 -0.096,178 22.72,179 -0.029,180 6.864,181 1.998,182 21.099,183 19.775,184 0.268,185 1.006,186 3.742,187 1,188 0.082,189 2.9,190 2.807,191 3.258,192 3.258,193 25,194 3.932,195 8.158,196 8.158,197 1.723,198 0.881,199 1.358,200 0.729,201 0.784,202 0.784,204 3.284,205 1.525,206 1.34,207 3.473,208 3.149,209 1.239,210 -0.339,211 1.502,212 4.239,213 0.325,215 0.989,216 1.936,217 0.804,218 3.482,219 1.657,221 0.466,222 3.554,223 1.033,224 1.033,225 3.799,226 0.816,227 0.974,228 -2,229 -2,230 38.381,231 90.771,232 3.73,233 4.812,234 122,235 4.727,239 1.938,240 0.143,242 1.546,243 1.546,244 22,245 38.988,246 29.836,248 6.25,249 0.934,250 3.742,251 8.184,252 235.422,253 1.169,254 62,255 1.591,256 8.207,257 2.254,258 2.254,259 4.006,260 1,261 9.072,262 0.044,263 0.842,264 0.99,265 4.971,266 4.812,267 4,268 1.082,269 12,270 3.7,272 0.68,273 3.585,274 2.169,275 2.169,276 5.084,277 92.107,278 18.348,279 8.602}
{0 CHEMBL371628,1 22.124,2 4,3 49.446,4 78.735,6 9.674,7 2.953,8 0.496,9 3.306,10 3.283,12 0.007,13 1.907,14 1.907,15 6,16 1,17 4.047,18 1.204,19 0.471,22 4.563,23 4.563,24 9.051,25 3,26 3.804,27 14.469,28 2,29 1.955,30 -4.62,31 5.252,32 5.675,33 28.603,34 8.201,35 7.771,36 6.502,37 -0.011,38 1,39 23,40 12.705,41 1.064,42 3.934,43 3.637,44 2,45 1.131,46 58.816,47 7.494,48 7.494,49 25,50 1,51 0.8,52 43.856,54 3.6,55 1.104,56 4.142,57 4.142,58 157.827,59 3.557,60 4.083,61 2.041,62 1.125,63 7.312,64 2.495,65 1,66 56.857,67 1.493,68 2.613,69 2.613,70 2.91,71 8.825,72 3.111,73 1.925,74 2.941,75 92.672,76 14,77 -0.064,78 1.453,79 7.49,80 0.659,81 2.194,82 11.04,83 1.377,84 4.49,85 4.49,86 4.49,87 5.041,88 4.048,89 10.366,90 6,91 5.67,92 4.414,93 5.674,94 18.089,95 4.766,97 6,98 13.941,99 8.321,100 4.022,101 3.057,102 16.807,103 16.807,104 16.807,105 16.807,106 16.807,107 8.374,108 21.618,109 1.403,110 1.376,111 23.175,112 0.208,113 3.936,114 10.159,115 20.463,116 20.463,117 20.463,118 20.463,119 20.463,120 18.592,121 1.904,122 0.134,123 33.608,124 1,125 -4.93,126 7.429,127 4.488,128 61.61,130 1.263,131 0.093,132 -5.03,133 3.588,134 3.67,135 3.67,136 1,137 1.826,138 2.07,139 14.178,140 2.979,141 2.979,142 1.429,143 1,144 3.134,145 1.544,146 4.152,147 1.46,148 3.614,149 4.848,150 1.456,151 1,152 14.581,153 2.275,154 2.275,155 50.091,156 1.723,157 0.197,159 1.303,160 0.122,161 1,162 4.033,163 8.487,164 5.75,165 5.302,166 1.706,167 3.921,168 1.769,169 1.769,170 1,171 0.721,172 0.721,173 18.424,174 16.5,175 3.52,176 3.52,177 -0.12,178 30.088,179 -0.002,180 9.116,181 2.035,182 22.789,183 21.32,184 3.061,185 0.978,186 3.943,187 1.015,188 7.068,189 3.568,190 3.322,191 3.555,192 3.555,193 34,194 4.234,195 7.8,196 7.8,197 2.422,198 1.637,199 1.527,200 1.409,201 1.445,202 1.445,203 4.26,204 3.451,205 1.553,206 1.951,207 3.834,208 3.44,209 1.415,210 0.709,211 1.166,212 4.534,213 1.738,215 0.965,216 2.624,217 1.069,218 3.651,219 1.76,221 0.32,222 4.036,223 1.541,224 1.541,225 3.858,226 0.674,227 0.49,228 1.199,229 1.199,230 52.135,231 115.099,232 3.978,233 5.118,234 166,235 5.05,236 1,237 1,238 14.96,239 1.964,240 1.172,241 1,242 2.171,243 2.171,244 30,245 52.688,246 36.245,247 1,248 6.704,249 1.153,250 3.79,251 11.179,252 273.924,253 1.297,254 116,255 1.693,256 11.546,257 2.45,258 2.45,259 4.051,261 10.093,262 0.041,263 1.09,264 1.005,265 7.066,266 4.942,267 5,268 1.153,269 17,270 4.17,271 4,272 0.8,273 3.606,274 2.76,275 2.76,276 5.182,277 140.452,278 19.824,279 9.553}
{0 CHEMBL371753,1 13.915,3 23.407,4 106.472,6 0.035,7 0.379,8 1.775,9 1.2,10 1.3,12 0.572,13 0.8,14 0.8,15 3,17 0.239,18 0.966,19 0.417,20 2.149,22 4.724,23 4.724,24 0.043,26 2.602,27 6.772,28 4,29 1.882,30 -3.6,31 0.156,32 5.212,33 33.154,34 7.474,35 0.066,36 0.102,37 0.223,39 16,40 12.659,41 0.804,42 3.942,43 3.37,44 1,45 0.934,46 5.023,47 6.281,48 6.281,49 9,52 5.023,54 8.3,55 1.647,56 3.74,57 3.74,58 93.079,59 3.278,60 3.794,61 0.874,62 1.066,63 1.6,64 1.186,66 111.74,67 -0.093,68 -0.199,69 -0.199,70 2.663,71 25.618,72 2.874,73 1.757,74 2.68,75 67.415,76 8,77 -0.086,78 1.274,79 7.693,80 0.639,81 0.673,82 7.434,83 1.233,84 4.693,85 4.693,86 4.693,87 5.026,88 3.716,89 7.821,90 4,91 5.422,92 0.188,93 4.22,94 19.058,95 4.781,97 3,98 9.625,99 6.265,100 3.673,101 3.043,102 11.862,103 11.862,104 11.862,105 11.862,106 11.862,107 0.054,108 16.388,109 1.06,110 1.187,111 14.909,112 0.259,113 3.761,114 7.412,115 14.801,116 14.801,117 14.801,118 14.801,119 14.801,120 13.196,121 1.696,122 0.197,123 11.815,125 -3.79,126 6.437,127 4.378,128 74.93,130 1.021,131 0.138,132 -3.83,133 3.572,134 3.422,135 3.422,137 0.431,138 1.579,140 3.104,141 3.104,142 1.308,144 2.595,145 1.177,146 3.845,147 1.297,148 3.467,149 4.407,150 0.284,151 2,152 10.815,153 -1.564,154 -1.564,155 34.362,156 1.667,157 0.29,158 1,159 1.246,160 0.178,162 4.032,163 7.782,164 0.125,165 4.623,166 0.22,167 3.889,168 -1.917,169 -1.917,170 1,171 -0.747,172 -0.747,173 13.451,174 10,175 0.438,176 0.438,177 -0.307,178 37.491,179 0.007,180 10.528,181 1.953,182 23.224,183 21.693,184 0.268,185 1.169,186 3.515,187 0.927,188 0.082,189 2.548,190 2.807,191 3.219,192 3.219,193 24,194 3.892,195 7.632,196 7.632,197 1.215,198 0.266,199 1.386,200 0.236,201 0.244,202 0.244,204 3.374,205 1.491,206 0.568,207 3.796,208 3.189,209 1.239,210 -0.722,211 0.824,212 4.167,213 0.325,215 1.008,216 1.382,217 0.856,218 3.436,219 1.632,221 0.492,222 2.912,223 0.523,224 0.523,225 3.725,226 0.402,227 0.988,228 -2,229 -2,230 35.644,231 92.066,232 4.089,233 4.762,234 116,235 4.687,239 1.927,241 1,242 1.617,243 1.617,244 23,245 37.015,246 30.648,247 4,248 6.431,249 0.945,250 3.658,251 8.982,252 223.651,253 1.123,254 83,255 1.56,256 6.824,257 2.265,258 2.265,259 3.898,261 11.195,262 0.066,263 1.391,264 1.092,265 4.555,266 4.827,267 2,268 1.256,269 11,270 3.585,273 3.514,274 2.183,275 2.183,276 5.03,277 100.042,278 20.151,279 5.523}
{0 CHEMBL371899,1 13.915,2 4,3 42.683,4 65.718,6 0.068,7 0.653,8 0.565,9 1.2,10 1.596,12 -0.173,13 0.8,14 0.8,15 3,17 0.432,18 1.119,19 0.476,22 4.616,23 4.616,24 0.084,25 5,26 1.171,27 1.37,28 1,29 1.801,30 -2.38,31 0.291,32 5.026,33 15.536,34 6.47,35 0.129,36 0.195,37 0.149,39 15,40 7.424,41 0.711,42 3.366,43 3.226,44 1,45 0.757,46 23.034,47 5.679,48 5.679,49 15,51 0.8,52 23.034,54 2.5,55 1.202,56 2.838,57 2.838,58 89.872,59 3.122,60 3.681,61 0.607,62 1.005,63 3.2,64 0.908,65 1,66 37.476,67 -0.426,68 -0.761,69 -0.761,70 2.303,71 8.396,72 2.59,73 1.794,74 2.317,75 53.775,76 8,77 -0.073,78 0.734,79 7.581,80 0.633,81 1.072,82 7.669,83 1.046,84 4.581,85 4.581,86 4.581,87 4.464,88 3.617,89 6.826,90 4,91 5.27,92 0.346,93 3.618,94 17.725,95 4.197,97 3,98 8.884,99 5.489,100 3.841,101 2.412,102 10.354,103 10.354,104 10.354,105 10.354,106 10.354,107 0.104,108 13.988,109 0.666,110 1.058,111 14.216,112 0.265,113 3.637,114 6.646,115 12.93,116 12.93,117 12.93,118 12.93,119 12.93,120 11.716,121 1.721,122 0.22,123 13.063,125 -2.43,126 4.906,127 3.63,128 42.5,129 1,130 1.318,131 0.151,132 -2.4,133 3.316,134 3.27,135 3.27,138 1.229,140 2.768,141 2.768,142 1.132,144 2.231,145 0.819,146 3.691,147 1.165,148 3.368,149 4.189,150 -0.087,152 9.237,153 -1.902,154 -1.902,155 29.751,156 1.599,157 0.322,159 1.188,160 0.197,162 3.391,163 7.168,164 0.237,165 4.874,166 -0.1,167 3.238,168 -2.871,169 -2.871,171 -1,172 -1,173 11.728,174 8.5,175 -0.311,176 -0.311,177 -0.257,178 15.687,179 0.116,180 4.926,181 1.999,182 22.827,183 21.313,184 0.479,185 1.08,186 3.647,187 0.971,188 0.158,189 2.351,190 2.585,191 3.091,192 3.091,193 21,194 3.761,195 6.035,196 6.035,197 0.816,198 -0.145,199 1.186,200 -0.132,201 -0.139,202 -0.139,204 3.099,205 1.48,206 0.664,207 3.268,208 3.01,209 1.11,210 -0.9,211 1.183,212 3.988,213 0.57,215 0.805,216 1.049,217 0.852,218 3.262,219 1.599,221 0.526,222 2.382,223 0.589,224 0.589,225 3.562,226 0.737,227 0.96,228 -3,229 -3,230 31.43,231 78.186,232 3.72,233 4.615,234 100,235 4.527,239 1.915,240 -0.375,242 1.237,243 1.237,244 19,245 32.339,246 25.324,248 5.424,249 0.92,250 3.5,251 7.049,252 200.109,253 1.026,254 59,255 1.54,256 6.969,257 2.028,258 2.028,259 3.364,260 1,261 5.111,262 0.043,263 1.756,264 1.009,265 4.267,266 4.262,267 2,268 0.957,269 10,270 3.459,273 3.376,274 2.093,275 2.093,276 4.54,277 76.711,278 19.782,279 5.011}
{0 CHEMBL371903,1 3.074,2 4,3 44.826,4 64.38,6 9.674,7 2.953,8 0.343,9 3.306,10 4.738,11 1,12 0.041,13 1.907,14 1.907,15 7,17 4.047,18 0.841,19 0.5,22 4.563,23 4.563,24 9.051,25 3,26 3.175,27 10.08,28 1,29 1.945,30 -4.09,31 5.252,32 5.342,33 26.881,34 7.429,35 7.771,36 6.502,37 0.075,38 1,39 22,40 13.079,41 0.942,42 3.895,43 3.608,44 2,45 0.97,46 39.235,47 6.868,48 6.868,49 25,51 0.8,52 39.235,54 1.9,55 1.004,56 4.036,57 4.036,58 143.18,59 3.534,60 4.094,61 1.99,62 1.136,63 7.312,64 2.129,65 1,66 66.334,67 1.106,68 2.431,69 2.431,70 2.83,72 3.02,73 1.929,74 2.86,75 88.937,76 14,77 -0.079,78 1.322,79 7.49,80 0.687,81 2.194,82 14.899,83 1.234,84 4.49,85 4.49,86 4.49,87 4.929,88 4.013,89 9.963,90 7,91 5.63,92 4.414,93 5.467,94 18.013,95 4.655,97 7,98 12.925,99 7.939,100 4.003,101 2.981,102 15.823,103 15.823,104 15.823,105 15.823,106 15.823,107 8.374,108 20.644,109 1.235,110 1.231,111 22.364,112 0.211,113 3.934,114 9.708,115 19.516,116 19.516,117 19.516,118 19.516,119 19.516,120 17.808,121 1.909,122 0.143,123 36.143,124 1,125 -4.34,126 4.947,127 4.395,128 48.47,130 1.56,131 0.099,132 -4.4,133 3.551,134 3.63,135 3.63,136 1,137 1.737,138 1.967,140 2.969,141 2.969,142 1.346,143 1,144 2.989,145 1.426,146 4.092,147 1.285,148 3.611,149 4.769,150 1.271,152 13.776,153 2.275,154 2.275,155 46.388,156 1.704,157 0.21,159 1.284,160 0.128,162 4.004,163 8.279,164 5.75,165 5.184,166 1.622,167 3.84,168 1.5,169 1.5,170 1,171 0.64,172 0.64,173 17.477,174 16.5,175 2.63,176 2.63,177 -0.196,178 27.029,179 0.007,180 9.548,181 2.03,182 22.711,183 21.241,184 3.061,185 0.933,186 3.932,187 1.04,188 7.068,189 3.461,190 3.322,191 3.497,192 3.497,193 32,194 4.174,195 7.794,196 7.794,197 2.08,198 1.504,199 1.483,200 1.076,201 1.102,202 1.102,203 4.702,204 3.402,205 1.538,206 1.947,207 3.823,208 3.374,209 1.335,210 0.626,211 0.638,212 4.437,213 1.738,215 0.992,216 2.503,217 1.064,218 3.657,219 1.759,220 31.052,221 0.34,222 3.569,223 1.417,224 1.417,225 3.853,226 0.876,227 0.522,228 1.135,229 1.135,230 48.352,231 116.778,232 3.955,233 5.043,234 154,235 4.984,239 1.955,240 0.939,242 1.994,243 1.994,244 28,245 49.017,246 35.739,247 1,248 6.524,249 1.153,250 3.786,251 10.402,252 247.193,253 1.192,254 100,255 1.692,256 10.897,257 2.315,258 2.315,259 3.96,261 9.674,262 0.032,263 0.631,264 0.992,265 6.54,266 4.809,267 4,268 1.124,269 17,270 4.17,271 4,272 0.8,273 3.603,274 2.607,275 2.607,276 5.057,277 130.606,278 19.744,279 9.553}
{0 CHEMBL371984,3 11,4 36.124,6 0.035,7 1.968,8 1.056,9 2.302,10 4.948,12 -0.147,13 1.151,14 1.151,15 7,17 2.02,18 1.055,19 0.444,22 4.509,23 4.509,24 2.761,26 2.728,27 7.443,28 3,29 1.889,30 -3.71,31 2.142,32 5.277,33 21.975,34 4.978,35 2.527,36 2.317,37 0.24,39 20,40 11.601,41 0.804,42 3.85,43 3.454,44 2,45 0.893,46 3.124,47 6.615,48 6.615,49 18,51 0.86,52 3.124,54 6.4,55 1.199,56 3.764,57 3.764,58 123.876,59 3.575,60 3.888,61 1.47,62 1.072,63 7.342,64 1.761,66 66.334,67 0.674,68 1.119,69 1.119,70 2.742,71 27.676,72 2.879,73 1.89,74 2.752,75 116.111,76 12,77 -0.074,78 1.228,79 7.058,80 0.654,81 2.024,82 14.286,83 1.105,84 4.058,85 4.058,86 4.058,87 4.802,88 3.857,89 8.261,90 7,91 5.656,92 0.188,93 4.534,94 19.151,95 4.557,97 7,98 11.143,99 6.618,100 3.81,101 2.712,102 13.324,103 13.324,104 13.324,105 13.324,106 13.324,107 0.054,108 17.486,109 1.024,110 1.106,111 18.205,112 0.234,113 3.751,114 7.974,115 16.403,116 16.403,117 16.403,118 16.403,119 16.403,120 14.823,121 1.878,122 0.167,123 4.64,125 -3.91,126 4.747,127 4.144,128 30.93,130 1.163,131 0.122,132 -3.96,133 3.496,134 3.656,135 3.656,137 0.731,138 1.613,140 2.947,141 2.947,142 1.308,144 2.678,145 1.346,146 3.93,147 1.417,148 3.576,149 4.518,150 0.625,152 11.652,153 0.22,154 0.22,155 38.662,156 1.679,157 0.256,159 1.149,160 0.158,162 4.031,163 7.912,164 0.125,165 5.237,166 0.647,167 3.894,168 -0.775,169 -0.775,171 -0.31,172 -0.31,173 14.977,174 13,175 2.199,176 2.199,177 -0.186,178 28.095,179 -0.039,180 8.218,181 1.986,182 21.283,183 19.943,184 0.268,185 1.032,186 3.747,187 0.975,188 0.082,189 3.082,190 2.807,191 3.332,192 3.332,193 27,194 4.007,195 8.191,196 8.191,197 1.723,198 0.882,199 1.363,200 0.728,201 0.784,202 0.784,204 3.286,205 1.538,206 1.341,207 3.677,208 3.231,209 1.239,210 -0.291,211 1.09,212 4.27,213 0.325,215 1.017,216 1.939,217 0.853,218 3.477,219 1.655,221 0.432,222 3.576,223 1.034,224 1.034,225 3.788,226 0.965,227 0.894,228 -0.879,229 -0.879,230 41.144,231 93.738,232 3.751,233 4.89,234 132,235 4.796,239 1.893,240 0.195,242 1.754,243 1.754,244 24,245 42.5,246 30.745,248 6.269,249 0.934,250 3.734,251 8.902,252 235.422,253 1.169,254 73,255 1.589,256 8.973,257 2.276,258 2.276,259 4.044,261 9.776,262 0.042,263 0.869,264 0.944,265 5.712,266 4.863,267 5,268 1.13,269 12,270 3.7,272 0.86,273 3.571,274 2.358,275 2.358,276 5.101,277 108.039,278 18.516,279 6.714}
{0 CHEMBL372244,1 6.98,3 22,4 50.568,6 0.035,7 1.968,8 0.299,9 2.302,10 6.34,12 -0.15,13 1.151,14 1.151,15 10,17 2.02,18 0.791,19 0.525,20 1.985,22 4.633,23 4.633,24 2.761,26 3.793,27 14.386,28 4,29 1.95,30 -4.61,31 2.142,32 6.104,33 47.449,34 5.213,35 2.527,36 2.317,37 -0.038,39 27,40 14.029,41 1.064,42 4.188,43 3.789,44 3,45 1.11,46 7.834,47 8.934,48 8.934,49 32,50 1,51 0.86,52 53.789,54 6.8,55 0.917,56 4.054,57 4.054,58 150.284,59 3.729,60 4.23,61 2.355,62 1.169,63 7.342,64 2.803,66 94.762,67 1.925,68 3.377,69 3.377,70 2.91,72 3.046,73 1.915,74 2.933,75 127.537,76 18,77 -0.134,78 1.59,79 7.608,80 0.7,81 2.024,82 20.944,83 1.347,84 4.608,85 4.608,86 4.608,87 5.029,88 4.2,89 11.738,90 10,91 5.658,92 0.188,93 6.692,94 19.149,95 4.819,97 10,98 15.464,99 9.324,100 4.045,101 3.086,102 19.85,103 19.85,104 19.85,105 19.85,106 19.85,107 0.054,108 24.92,109 1.311,110 1.376,111 28.145,112 0.188,113 3.956,114 11.531,115 23.773,116 23.773,117 23.773,118 23.773,119 23.773,120 22.037,121 1.892,122 0.116,123 18.036,124 1,125 -4.92,126 4.949,127 4.505,128 49,130 1.165,131 0.082,132 -5.02,133 3.769,134 3.658,135 3.658,137 2.241,138 1.975,140 3.758,141 3.758,142 1.429,143 1,144 3.04,145 1.695,146 4.296,147 1.513,148 3.756,149 5.049,150 2,152 16.725,153 3.141,154 3.141,155 57.774,156 1.761,157 0.173,159 1.279,160 0.107,161 1,162 4.361,163 8.879,164 0.125,165 5.826,166 2.048,167 4.238,168 2.764,169 2.764,171 1.093,172 1.093,173 21.319,174 19,175 4.312,176 4.312,177 -0.119,178 46.793,179 -0.025,180 11.868,181 2.004,182 23.094,183 21.608,184 0.268,185 0.866,186 3.965,187 1.051,188 0.082,189 4.165,190 3.524,191 3.714,192 3.714,193 40,194 4.394,195 9.345,196 9.345,197 2.522,198 2.057,199 1.629,200 1.504,201 1.541,202 1.541,204 3.575,205 1.556,206 2.097,207 4.048,208 3.561,209 1.376,210 1.032,211 0.859,212 4.67,213 0.325,215 1.013,216 2.938,217 1.076,218 3.803,219 1.891,220 45.954,221 0.292,222 4.506,223 1.591,224 1.591,225 3.825,226 1.006,227 0.773,228 2.591,229 2.591,230 61.872,231 132.995,232 4.145,233 5.293,234 198,235 5.222,239 2.031,240 1.923,242 2.126,243 2.126,244 34,245 62.226,246 41.318,248 6.651,249 1.153,250 3.801,251 12.636,252 258.964,253 1.295,254 158,255 1.879,256 13.997,257 2.752,258 2.752,259 4.338,261 13.554,262 0.043,263 0.974,264 1.031,265 7.889,266 5.104,267 6,268 1.044,269 21,270 4.459,271 7,272 0.86,273 3.774,274 2.914,275 2.914,276 5.318,277 168.974,278 20.093,279 6.514}
{0 CHEMBL372339,1 34.196,3 25.145,4 56.518,6 8.309,7 2.778,8 0.701,9 3.026,10 0.595,12 -0.039,13 1.741,14 1.741,15 6,16 2,17 3.569,18 1.055,19 0.353,22 4.42,23 4.42,24 7.779,26 3.036,27 9.22,28 3,29 1.953,30 -3.97,31 4.547,32 5.404,33 29.158,34 8.211,35 6.683,36 5.6,37 -0.036,38 2,39 23,40 13.939,41 1.064,42 3.963,43 3.632,44 2,45 1.139,46 39.293,47 6.966,48 6.966,49 23,50 2,51 0.86,52 9.373,53 1,54 5.2,55 1.284,56 3.866,57 3.866,58 138.356,59 3.627,60 4.022,61 1.984,62 1.078,63 10.595,64 2.212,66 56.857,67 1.171,68 2.752,69 2.752,70 2.76,71 10.883,72 2.979,73 1.871,74 2.754,75 106.259,76 13,77 -0.05,78 1.423,79 6.963,80 0.641,81 2.398,82 8.44,83 1.423,84 3.963,85 3.963,86 3.963,87 5.07,88 4.005,89 10.41,90 6,91 5.869,92 3.783,93 5.854,94 18.401,95 4.853,97 6,98 14.169,99 8.407,100 3.895,101 2.744,102 16.731,103 16.731,104 16.731,105 16.731,106 16.731,107 7.191,108 21.996,109 1.513,110 1.376,111 22.77,112 0.21,113 3.801,114 10.242,115 21.093,116 21.093,117 21.093,118 21.093,119 21.093,120 18.138,121 1.847,122 0.13,123 28.973,125 -4.2,126 8.191,127 4.251,128 45.25,130 1.534,131 0.094,132 -4.27,133 3.653,134 3.869,135 3.869,136 1,137 1.713,138 1.678,139 27.185,140 3.353,141 3.353,142 1.429,144 2.787,145 1.574,146 4.167,147 1.513,148 3.684,149 4.888,150 1.117,151 3,152 15.046,153 2.236,154 2.236,155 47.141,156 1.737,157 0.199,159 1.141,160 0.122,162 3.981,163 8.602,164 4.933,165 5.339,166 1.937,167 3.939,168 2.136,169 2.136,170 3,171 1,172 1,173 19.512,174 15.5,175 3.015,176 3.015,177 -0.236,178 27.883,179 0.037,180 10.339,181 1.989,182 21.214,183 19.898,184 2.625,185 1.082,186 3.809,187 0.973,188 6.067,189 3.669,190 3,191 3.555,192 3.555,193 34,194 4.234,195 8.578,196 8.578,197 2.144,198 1.295,199 1.383,200 1.132,201 1.145,202 1.145,204 3.474,205 1.525,206 1.55,207 4.019,208 3.472,209 1.438,210 0.93,211 0.937,212 4.429,213 1.494,214 1,215 0.938,216 2.385,217 1.065,218 3.633,219 1.825,221 0.323,222 3.786,223 1.491,224 1.491,225 3.898,226 0.704,227 0.503,228 1.026,229 1.026,230 50.365,231 113.835,232 3.855,233 5.094,234 162,235 4.99,236 2,237 2,238 29.92,239 1.867,240 0.904,242 1.879,243 1.879,244 31,245 52.205,246 37.154,248 6.228,249 1.153,250 3.844,251 11.615,252 300.656,253 1.307,254 145,255 1.761,256 11.227,257 2.517,258 2.517,259 4.028,261 9.562,262 0.045,263 0.643,264 0.991,265 7.24,266 4.948,267 6,268 0.873,269 13,270 3.807,271 4,272 0.86,273 3.689,274 2.521,275 2.521,276 5.175,277 143.58,278 18.49,279 5}
{0 CHEMBL372453,1 4.276,2 1,3 25.145,4 66.653,6 7.96,7 2.694,8 0.701,9 2.972,10 4.522,12 -0.056,13 1.701,14 1.701,15 7,17 3.441,18 1.021,19 0.353,22 4.354,23 4.354,24 7.458,25 2,26 2.277,27 5.186,28 2,29 1.905,30 -3.33,31 4.372,32 5.352,33 37.978,34 7.429,35 6.41,36 5.376,37 0.145,38 2,39 23,40 13.726,41 1.064,42 4.095,43 3.655,44 2,45 1.153,46 30.508,47 6.878,48 6.878,49 24,50 1,51 0.86,52 30.508,53 1,54 3.3,55 1.22,56 3.675,57 3.675,58 154.257,59 3.677,60 4.083,61 2,62 1.052,63 11.2,64 2.38,65 2,66 66.334,67 1.319,68 2.275,69 2.275,70 2.91,71 19.279,72 3.111,73 1.905,74 2.94,75 113.152,76 13,77 -0.082,78 1.487,79 6.963,80 0.651,81 2.379,82 13.702,83 1.429,84 3.963,85 3.963,86 3.963,87 5.178,88 4.037,89 10.548,90 7,91 5.692,92 3.624,93 5.76,94 16.994,95 4.912,96 1,97 7,98 14.025,99 8.441,100 3.93,101 2.736,102 16.69,103 16.69,104 16.69,105 16.69,106 16.69,107 6.887,108 22.41,109 1.298,110 1.376,111 22.77,112 0.21,113 3.842,114 10.239,115 21.041,116 21.041,117 21.041,118 21.041,119 21.041,120 18.357,121 1.874,122 0.128,123 37.981,124 2,125 -3.48,126 4.946,127 4.14,128 51.29,130 1.958,131 0.09,132 -3.51,133 3.712,134 3.692,135 3.692,136 1,137 1.794,138 1.959,140 3.18,141 3.18,142 1.429,143 2,144 3.111,145 1.486,146 4.168,147 1.513,148 3.582,149 4.888,150 1.154,151 3,152 15.029,153 2.275,154 2.275,155 46.933,156 1.733,157 0.192,159 1.293,160 0.118,162 4.179,163 8.583,164 4.72,165 5.208,166 1.967,167 4.047,168 2.275,169 2.275,170 1,171 1,172 1,173 19.46,174 15.5,175 3.002,176 3.002,177 -0.411,178 39.98,179 0.065,180 9.198,181 2.043,182 20.95,183 19.654,184 2.548,185 1.071,186 3.842,187 0.976,188 5.809,189 3.414,190 3,191 3.555,192 3.555,193 34,194 4.234,195 8.579,196 8.579,197 2.089,198 1.46,199 1.616,200 1.06,201 1.127,202 1.127,204 3.55,205 1.522,206 1.5,207 3.912,208 3.471,209 1.396,210 0.965,211 1.292,212 4.422,213 1.577,214 1,215 0.89,216 2.468,217 1.064,218 3.68,219 1.718,221 0.302,222 3.94,223 1.152,224 1.152,225 3.827,226 1.221,227 0.568,228 1.106,229 1.106,230 50.607,231 125.906,232 3.924,233 5.094,234 162,235 4.99,239 1.89,240 0.84,242 2.184,243 2.184,244 31,245 52.314,246 39.694,247 2,248 6.172,249 1.153,250 3.765,251 11.49,252 341.362,253 1.513,254 154,255 1.65,256 11.401,257 2.465,258 2.465,259 4.114,261 11.789,262 0.034,263 1.993,264 1.039,265 7.489,266 5.032,267 5,268 1.053,269 13,270 3.807,271 4,272 0.8,273 3.569,274 2.771,275 2.771,276 5.282,277 141.58,278 18.242,279 5.997}
{0 CHEMBL372541,1 3.074,3 44.826,4 49.494,6 9.936,7 3.014,8 0.496,9 3.348,10 4.896,11 1,12 0.033,13 1.94,14 1.94,15 7,17 4.14,18 1.087,19 0.471,22 4.563,23 4.563,24 9.292,26 3.601,27 12.966,28 1,29 1.95,30 -4.45,31 5.383,32 5.752,33 30.021,34 7.427,35 7.976,36 6.67,37 0.173,38 1,39 24,40 14.815,41 1.064,42 4.044,43 3.683,44 2,45 1.153,46 24.349,47 7.522,48 7.522,49 25,51 0.8,52 24.349,54 1.7,55 1.072,56 4.125,57 4.125,58 142.981,59 3.55,60 4.18,61 2.042,62 1.142,63 8.192,64 2.497,66 66.334,67 1.496,68 2.613,69 2.613,70 2.91,71 17.222,72 3.111,73 1.929,74 2.941,75 97.334,76 14,77 -0.045,78 1.604,79 7.49,80 0.677,81 2.263,82 15.033,83 1.337,84 4.49,85 4.49,86 4.49,87 5.057,88 4.098,89 10.765,90 7,91 5.807,92 4.543,93 5.605,94 19.097,95 4.786,97 7,98 13.728,99 8.556,100 4.021,101 2.981,102 16.754,103 16.754,104 16.754,105 16.754,106 16.754,107 8.602,108 22.183,109 1.405,110 1.317,111 23.175,112 0.208,113 3.954,114 10.384,115 20.568,116 20.568,117 20.568,118 20.568,119 20.568,120 19.114,121 1.91,122 0.134,123 18.722,124 1,125 -4.74,126 4.948,127 4.532,128 39.68,130 1.399,131 0.096,132 -4.83,133 3.588,134 3.807,135 3.807,136 1,137 1.93,138 2.057,140 2.978,141 2.978,142 1.429,143 1,144 3.156,145 1.486,146 4.152,147 1.513,148 3.615,149 4.848,150 1.706,152 14.614,153 2.275,154 2.275,155 49.871,156 1.723,157 0.204,159 1.307,160 0.125,162 4.2,163 8.485,164 5.912,165 5.641,166 1.709,167 4.007,168 1.73,169 1.73,170 2,171 0.722,172 0.722,173 18.603,174 16.5,175 3.068,176 3.068,177 -0.262,178 35.522,179 -0.088,180 10.623,181 2.034,182 22.775,183 21.306,184 3.157,185 0.995,186 3.952,187 1.013,188 7.263,189 3.568,190 3.322,191 3.555,192 3.555,193 34,194 4.234,195 7.799,196 7.799,197 2.353,198 1.726,199 1.534,200 1.35,201 1.352,202 1.352,203 4.72,204 3.454,205 1.547,206 1.954,207 3.971,208 3.44,209 1.376,210 0.71,211 1.028,212 4.519,213 1.803,215 1.067,216 2.693,217 1.118,218 3.739,219 1.763,220 31.052,221 0.342,222 3.838,223 1.511,224 1.511,225 3.857,226 1.182,227 0.546,228 1.305,229 1.305,230 52.339,231 126.223,232 3.981,233 5.118,234 166,235 5.05,239 1.973,240 1.424,241 1,242 2.231,243 2.231,244 30,245 53.389,246 39.262,248 6.706,249 1.161,250 3.79,251 11.159,252 306.049,253 1.388,254 116,255 1.696,256 11.961,257 2.426,258 2.426,259 4.16,261 12.269,262 0.045,263 0.621,264 0.824,265 6.679,266 5.05,267 4,268 1.162,269 17,270 4.17,271 4,272 0.8,273 3.608,274 2.756,275 2.756,276 5.314,277 143.207,278 19.81,279 9.77}
{0 CHEMBL372810,1 9.09,3 82.258,4 75.965,6 8.309,7 2.83,8 0.517,9 3.026,10 3.589,12 0.042,13 1.741,14 1.741,15 3,17 3.644,18 0.981,19 0.581,22 4.397,23 4.397,24 7.785,26 3.195,27 10.21,28 2,29 1.909,30 -4.11,31 4.597,32 5.425,33 15.297,34 7.428,35 6.696,36 5.626,37 0.002,38 2,39 20,40 7.081,41 0.741,42 3.638,43 3.5,44 1,45 0.795,46 39.82,47 7.173,48 7.173,49 23,50 2,51 1.151,52 39.82,53 1,54 4.5,55 0.949,56 3.733,57 3.733,58 166.89,59 3.537,60 3.878,61 1.958,62 1.015,63 7.856,64 2.389,66 75.81,67 1.296,68 2.275,69 2.275,70 2.709,72 2.875,73 1.854,74 2.708,75 97.415,76 17,77 -0.052,78 0.781,79 6.925,80 0.727,81 2.275,82 17.702,83 1.033,84 3.925,85 3.925,86 3.925,87 4.399,88 3.859,89 8.574,90 10,91 5.868,92 3.779,93 5.332,94 18.34,95 4.207,97 8,98 12.532,99 6.863,100 3.889,101 2.598,102 15.266,103 15.266,104 15.266,105 15.266,106 15.266,107 7.191,108 19.411,109 0.744,110 1.003,111 20.978,112 0.218,113 3.785,114 8.363,115 19.068,116 19.068,117 19.068,118 19.068,119 19.068,120 15.745,121 1.82,122 0.142,123 15.052,125 -4.36,126 5.045,127 4.181,128 58.56,130 1.045,131 0.103,132 -4.43,133 3.625,134 3.868,135 3.868,136 1,137 1.391,138 1.691,140 3.448,141 3.448,142 1.058,144 2.775,145 1.2,146 4.072,147 1.096,148 3.736,149 4.748,150 1.103,152 13.614,153 2.136,154 2.136,155 42.674,156 1.704,157 0.218,159 1.042,160 0.133,162 3.75,163 8.271,164 4.932,165 5.265,166 1.522,167 3.682,168 1.5,169 1.5,170 4,171 0.635,172 0.635,173 16.708,174 21,175 2.763,176 2.763,177 -0.325,178 19.067,179 0.043,180 5.82,181 1.968,182 21.011,183 19.751,184 2.602,185 0.843,186 3.792,187 0.999,188 6.067,189 3.414,190 3.459,191 3.466,192 3.466,193 31,194 4.143,195 7.825,196 7.825,197 1.996,198 1.5,199 1.36,200 0.976,201 1.075,202 1.075,203 8.499,204 3.457,205 1.554,206 1.5,207 3.554,208 3.374,209 1.016,210 0.557,211 1.317,212 4.315,213 1.404,214 1,215 0.947,216 2.5,217 0.824,218 3.502,219 1.803,221 0.353,222 3.635,223 1.146,224 1.146,225 3.869,226 1.532,227 0.559,228 0.301,229 0.301,230 46.637,231 106.629,232 3.899,233 5.004,234 148,235 4.966,239 1.862,240 0.694,242 1.815,243 1.815,244 28,245 47.575,246 31.977,248 6.131,249 0.868,250 3.834,251 10.309,252 188.338,253 1.081,254 126,255 1.765,256 10.633,257 2.5,258 2.5,259 3.764,261 5.863,262 0.034,263 0.718,264 1.085,265 8.038,266 4.486,267 6,268 0.858,269 19,270 4.322,271 2,272 0.693,273 3.729,274 2.881,275 2.881,276 4.694,277 132.606,278 18.331,279 5}
{0 CHEMBL372811,1 18.034,3 44.826,4 49.494,6 9.936,7 3.014,8 0.688,9 3.348,10 3.772,11 1,12 0.019,13 1.94,14 1.94,15 6,16 1,17 4.14,18 1.043,19 0.444,22 4.563,23 4.563,24 9.292,26 4.179,27 17.465,28 1,29 1.953,30 -4.94,31 5.383,32 5.752,33 37.905,34 8.201,35 7.976,36 6.67,37 0.059,38 1,39 25,40 16.212,41 1.064,42 4.156,43 3.73,44 2,45 1.153,46 39.309,47 7.797,48 7.797,49 25,50 1,51 0.8,52 24.349,54 1.6,55 1.084,56 4.182,57 4.182,58 145.16,59 3.545,60 4.215,61 2.243,62 1.148,63 8.192,64 2.51,66 56.857,67 1.505,68 2.98,69 2.98,70 2.91,71 17.65,72 3.111,73 1.929,74 2.941,75 88.582,76 14,77 -0.096,78 1.955,79 7.49,80 0.671,81 2.263,82 11.649,83 1.429,84 4.49,85 4.49,86 4.49,87 5.253,88 4.142,89 11.36,90 6,91 5.755,92 4.543,93 5.945,94 19.074,95 4.967,97 6,98 14.498,99 9.023,100 4.027,101 2.981,102 17.765,103 17.765,104 17.765,105 17.765,106 17.765,107 8.602,108 23.42,109 1.805,110 1.376,111 24.274,112 0.203,113 3.957,114 10.988,115 21.723,116 21.723,117 21.723,118 21.723,119 21.723,120 20.143,121 1.91,122 0.127,123 20.828,124 1,125 -5.29,126 7.428,127 4.554,128 39.68,130 1.312,131 0.091,132 -5.41,133 3.604,134 3.755,135 3.755,136 1,137 1.988,138 2.062,139 14.429,140 3.072,141 3.072,142 1.444,143 1,144 3.165,145 1.517,146 4.211,147 1.524,148 3.615,149 4.933,150 1.751,152 15.508,153 2.61,154 2.61,155 52.418,156 1.742,157 0.193,159 1.32,160 0.118,162 4.31,163 8.684,164 5.912,165 5.582,166 1.967,167 4.155,168 2.275,169 2.275,170 2,171 1,172 1,173 19.68,174 16.5,175 3.523,176 3.523,177 -0.212,178 42.087,179 -0.049,180 12.307,181 2.035,182 22.825,183 21.356,184 3.157,185 1.003,186 3.956,187 1.008,188 7.263,189 3.913,190 3.322,191 3.611,192 3.611,193 36,194 4.29,195 7.984,196 7.984,197 2.444,198 1.698,199 1.54,200 1.417,201 1.465,202 1.465,203 4.697,204 3.46,205 1.544,206 1.95,207 4.048,208 3.502,209 1.395,210 0.965,211 1.047,212 4.568,213 1.803,215 1.03,216 2.674,217 1.128,218 3.778,219 1.764,220 31.052,221 0.327,222 4.037,223 1.538,224 1.538,225 3.858,226 0.722,227 0.497,228 1.663,229 1.663,230 55.118,231 131.085,232 3.994,233 5.176,234 176,235 5.1,236 1,237 1,238 14.96,239 1.973,240 1.439,241 2,242 2.242,243 2.242,244 32,245 56.395,246 40.961,248 6.706,249 1.17,250 3.79,251 11.954,252 309.238,253 1.513,254 134,255 1.697,256 12.287,257 2.531,258 2.531,259 4.277,261 14.105,262 0.044,263 1.336,264 0.903,265 6.895,266 5.176,267 5,268 1.222,269 17,270 4.17,271 4,272 0.8,273 3.609,274 2.806,275 2.806,276 5.42,277 156,278 19.861,279 9.357}
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{0 CHEMBL391661,1 14.96,2 2,3 46.635,4 85.065,6 10.594,7 3.324,8 0.513,9 3.634,10 3.616,12 -0.047,13 2.03,14 2.03,15 4,16 1,17 4.506,18 0.827,19 0.447,21 1,22 4.548,23 4.548,24 9.952,25 1,26 3.19,27 10.176,28 3,29 1.95,30 -4.1,31 5.816,32 5.459,33 30.384,34 8.201,35 8.557,36 7.175,37 -0.067,38 1,39 26,40 14.86,41 1.055,42 4.073,43 3.753,44 2,45 1.112,46 52.881,47 7.231,48 7.231,49 26,50 2,51 0.892,52 37.921,54 4.9,55 1.058,56 4.073,57 4.073,58 167.938,59 3.659,60 4.183,61 2.241,62 1.147,63 9.447,64 2.624,66 56.857,67 1.663,68 3.234,69 3.234,70 2.91,71 8.825,72 3.111,73 1.955,74 2.941,75 93.186,76 16,77 -0.04,78 1.611,79 7.495,80 0.673,81 2.496,82 10.786,83 1.341,84 4.495,85 4.495,86 4.495,87 5.094,88 4.149,89 11.476,90 6,91 5.657,92 4.752,93 6.45,94 17.34,95 4.859,97 6,98 15.457,99 9.166,100 4.003,101 2.936,102 18.797,103 18.797,104 18.797,105 18.797,106 18.797,107 9.16,108 24.304,109 1.419,110 1.321,111 25.66,112 0.197,113 3.906,114 11.198,115 22.927,116 22.927,117 22.927,118 22.927,119 22.927,120 20.567,121 1.928,122 0.12,123 41.116,125 -4.35,126 7.429,127 4.4,128 63.69,130 0.882,131 0.081,132 -4.42,133 3.57,134 3.657,135 3.657,136 1,137 2,138 2.104,139 14.562,140 3.23,141 3.23,142 1.429,144 3.148,145 1.839,146 4.269,147 1.513,148 3.692,149 5.023,150 1.507,152 16.441,153 2.79,154 2.79,155 53.459,156 1.752,157 0.172,159 1.223,160 0.107,162 4.151,163 8.831,164 6.248,165 5.338,166 1.978,167 4.047,168 2.275,169 2.275,171 1,172 1,173 20.659,174 19,175 4.845,176 4.845,177 -0.122,178 39.303,179 0.093,180 11.086,181 2.086,182 22.754,183 21.29,184 3.213,185 0.947,186 3.913,187 0.998,188 7.714,189 3.937,190 3.392,191 3.664,192 3.664,193 38,194 4.344,195 8.171,196 8.171,197 2.652,198 2.096,199 1.497,200 1.601,201 1.71,202 1.71,203 4.542,204 3.442,205 1.55,206 2.284,207 4.053,208 3.56,209 1.376,210 0.955,211 0.787,212 4.587,213 1.668,215 0.923,216 3.009,217 1.064,218 3.769,219 1.809,221 0.273,222 4.603,223 1.852,224 1.852,225 3.895,226 0.725,227 0.532,228 2.247,229 2.247,230 56.784,231 128.597,232 3.961,233 5.22,234 184,235 5.143,236 1,237 1,238 14.96,239 2.011,240 1.259,241 1,242 2.183,243 2.183,244 34,245 58.044,246 41.074,247 1,248 6.337,249 1.153,250 3.841,251 12.667,252 273.924,253 1.388,254 150,255 1.759,256 12.596,257 2.51,258 2.51,259 4.124,261 11.581,262 0.039,263 0.601,264 1.13,265 7.914,266 5.016,267 7,268 1.053,269 18,270 4.248,271 9,272 0.86,273 3.691,274 2.89,275 2.89,276 5.247,277 166.219,278 19.793,279 5}
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{0 CHEMBL41,4 29.011,6 20.124,7 5.436,8 1.37,9 5.335,10 0.752,12 0.37,13 3.825,14 3.825,15 9,17 8.059,18 0.868,19 0.522,22 4.44,23 4.44,24 18.783,25 1,26 4.153,27 17.245,28 1,29 1.848,30 -4.92,31 10.734,32 4.612,33 20.809,34 8.513,35 16.1,36 13.417,37 0.301,39 17,40 9.85,41 0.809,42 3.675,43 3.28,44 2,45 0.885,46 62.891,47 4.842,48 4.842,49 12,51 1.151,52 18.011,54 2.5,55 1.121,56 3.554,57 3.554,58 135.708,59 3.365,60 3.623,61 0.729,62 1.002,63 10.752,64 1.009,66 103.297,67 -0.249,68 -0.463,69 -0.463,70 2.673,71 8.396,72 2.854,73 1.872,74 2.698,75 105.297,76 12,77 -0.02,78 1.064,79 6.837,80 0.647,81 3.17,82 14.433,83 1.107,84 3.837,85 3.837,86 3.837,87 4.714,88 3.603,89 6.905,90 9,91 6.46,92 9.388,93 4.19,94 18.537,95 4.436,96 1,97 9,98 9.994,99 5.629,100 3.878,101 2.755,102 11.344,103 11.344,104 11.344,105 11.344,106 11.344,107 17.441,108 15.016,109 1.107,110 1.062,111 14.792,112 0.26,113 3.813,114 6.777,115 14.532,116 14.532,117 14.532,118 14.532,119 14.532,120 11.813,121 1.848,122 0.193,123 4.64,125 -5.27,126 7.999,127 4.099,128 21.26,130 1.42,131 0.144,132 -5.38,133 3.359,134 4.46,135 4.46,137 0.5,138 1.379,139 37.694,140 3.155,141 3.155,142 1.107,144 2.402,145 1,146 3.805,147 1.181,148 3.429,149 4.371,150 0.258,152 10.503,153 -1.609,154 -1.609,155 31.381,156 1.646,157 0.309,159 1.074,160 0.181,162 3.712,163 7.618,164 12.074,165 4.398,166 0.037,167 3.593,168 -1.903,169 -1.903,171 -0.903,172 -0.903,173 13.121,174 12.5,175 0.452,176 0.452,177 -0.036,178 19.671,179 0.024,180 7.413,181 1.967,182 20.449,183 19.214,184 6.69,185 1.009,186 3.81,187 0.95,188 14.758,189 2.544,190 2.807,191 3.178,192 3.178,193 23,194 3.85,195 6.93,196 6.93,197 1.175,198 0.265,199 1.177,200 0.231,201 0.253,202 0.253,204 3.112,205 1.434,206 1.192,207 3.471,208 3.146,209 1.062,210 -0.7,211 0.786,212 4.012,213 3.903,215 0.977,216 1.335,217 0.821,218 3.289,219 1.593,221 0.507,222 2.875,223 1,224 1,225 3.693,226 0.942,227 0.593,228 -2.347,229 -2.347,230 34.016,231 80.368,232 3.82,233 4.691,234 108,235 4.615,236 3,237 3,238 44.88,239 1.913,241 1,242 1.442,243 1.442,244 22,245 34.165,246 25.887,248 6.164,249 0.886,250 3.613,251 8.512,252 176.567,253 1.106,254 68,255 1.522,256 6.953,257 1.887,258 1.887,259 3.597,261 7.82,262 0.04,263 0.777,264 1.167,265 5.495,266 4.503,267 3,268 1.068,269 12,270 3.7,271 1,272 0.4,273 3.432,274 2.026,275 2.026,276 4.73,277 85.353,278 17.794,279 6.712}
{0 CHEMBL411,2 4,3 85.367,4 85.367,8 1.013,10 2.837,12 0.041,15 8,18 0.274,19 0.571,22 4.478,23 4.478,25 4,26 3.956,27 15.651,28 2,29 1.831,30 -4.75,32 4.981,33 16.93,34 6.473,37 -0.002,39 18,40 7.412,41 0.776,42 3.649,43 3.279,44 2,45 0.802,47 5.856,48 5.856,49 12,54 5,55 0.959,56 3.614,57 3.614,58 111.272,59 3.32,60 3.693,61 0.632,62 0.949,64 1.05,66 75.81,67 -0.39,68 -0.64,69 -0.64,70 2.707,71 17.65,72 2.854,73 1.846,74 2.693,75 88.552,76 14,77 -0.048,78 1.114,79 7.065,80 0.663,82 14.664,83 1.049,84 4.065,85 4.065,86 4.065,87 4.509,88 3.607,89 6.931,90 8,91 5.258,93 3.553,94 17.897,95 4.239,97 8,98 9.509,99 5.633,100 3.851,101 2.585,102 10.196,103 10.196,104 10.196,105 10.196,106 10.196,108 14.168,109 0.671,110 1.062,111 13.523,112 0.272,113 3.786,114 6.683,115 13.516,116 13.516,117 13.516,118 13.516,119 13.516,120 11.234,121 1.825,122 0.213,123 5.069,125 -5.08,126 6.468,127 4.011,128 40.46,130 1.938,131 0.148,132 -5.19,133 3.384,134 3.258,135 3.258,136 2,137 0.444,138 1.095,140 3.237,141 3.237,142 1.107,144 2.097,145 1,146 3.714,147 1.181,148 3.478,149 4.237,150 -0.045,152 9.651,153 -1.288,154 -1.288,155 29.657,156 1.623,157 0.318,159 1.05,160 0.195,162 3.961,163 7.361,165 4.517,167 3.751,168 -3,169 -3,171 -1,172 -1,173 11.781,174 14.5,177 0.119,178 25.233,179 -0.185,180 5.662,181 1.944,182 21.206,183 19.874,185 0.953,186 3.783,187 0.912,189 2.283,190 3,191 3.091,192 3.091,193 21,194 3.761,195 6.211,196 6.211,197 0.963,199 1.337,204 3.189,205 1.449,206 0.296,207 3.094,208 3.058,209 1.062,210 -1,211 0.311,212 4.015,215 1.203,216 1.224,217 0.821,218 3.336,219 1.601,221 0.512,222 2.489,223 0.271,224 0.271,225 3.641,226 0.775,227 1.04,228 -3,229 -3,230 30.473,231 82.667,232 3.79,233 4.595,234 98,235 4.564,239 1.971,240 -0.375,241 2,242 1.101,243 1.101,244 20,245 32.564,246 26.523,248 5.777,249 0.886,250 3.592,251 7.362,252 211.88,253 1.03,254 60,255 1.555,256 6.825,257 2.106,258 2.106,259 3.833,261 9.757,262 0.046,263 2.185,264 0.894,265 4.927,266 4.819,267 4,268 1.082,269 13,270 3.807,273 3.487,274 2.086,275 2.086,276 5.102,277 58.439,278 18.439,279 5.592}
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{0 CHEMBL415029,2 3,4 29.011,7 0.763,8 1.212,9 1.72,10 4.894,12 -0.018,13 0.86,14 0.86,15 2,17 0.597,18 0.905,19 0.333,22 4.426,23 4.426,24 0.217,25 2,26 3.298,27 10.877,28 1,29 1.87,30 -4.19,31 0.47,32 4.678,33 11.238,34 4.838,35 0.283,36 0.367,37 0.082,39 14,40 5.986,41 0.502,42 2.986,43 3.154,44 1,45 0.56,46 18.011,47 5.101,48 5.101,49 11,50 1,51 0.4,52 63.965,54 2.7,55 0.949,56 3.179,57 3.179,58 84.854,59 3.016,60 3.639,61 0.063,62 1.054,63 2.52,64 0.257,66 36.963,67 -1,68 -2,69 -2,70 2.48,71 26.476,72 2.687,73 1.643,74 2.538,75 33.622,76 6,77 -0.06,78 0.443,79 7.091,80 0.66,81 1.029,82 4.424,83 0.839,84 4.091,85 4.091,86 4.091,87 4.134,88 3.531,89 6.268,90 2,91 5.399,93 3.125,94 17.06,95 3.833,97 2,98 7.326,99 4.973,100 3.647,101 2.362,102 8.883,103 8.883,104 8.883,105 8.883,106 8.883,108 12.585,109 0.483,110 0.802,111 11.444,112 0.296,113 3.479,114 5.94,115 11.069,116 11.069,117 11.069,118 11.069,119 11.069,120 10.282,121 1.575,122 0.246,123 6.746,125 -4.45,126 4.45,127 3.851,128 21.26,130 1.149,131 0.172,132 -4.53,133 3.381,134 3.399,135 3.399,137 -0.376,138 1.148,140 2.404,141 2.404,142 1.037,144 2.223,145 0.219,146 3.559,147 1.087,148 3.342,149 3.989,150 -0.5,152 8.075,153 -2.322,154 -2.322,155 24.704,156 1.575,157 0.362,159 1.158,160 0.226,162 3.539,163 6.888,165 4.229,166 -0.333,167 3.23,168 -3.242,169 -3.242,171 -1.194,172 -1.194,173 10.316,174 6.5,175 -1.798,176 -1.798,177 -0.059,178 20.486,179 -0.122,180 4.137,181 1.875,182 21.143,183 19.764,185 1.031,186 3.473,187 0.94,189 1.805,190 2,191 2.944,192 2.944,193 18,194 3.611,195 5.819,196 5.819,197 0.165,198 -0.809,199 1.28,200 -0.476,201 -0.706,202 -0.706,204 3.218,205 1.522,206 -0.415,207 2.921,208 2.909,209 1.002,210 -1.035,211 1.047,212 3.809,215 1.132,216 0.52,217 0.739,218 3.233,219 1.589,220 45.954,221 0.569,222 2.336,223 -0.377,224 -0.377,225 3.564,226 0.797,227 1.046,228 -3.866,229 -3.866,230 26.707,231 75.094,232 3.893,233 4.466,234 86,235 4.337,239 1.929,240 -0.823,241 3,242 1.296,243 1.296,244 17,245 27.581,246 24.427,248 5.953,249 0.806,250 3.497,251 6.307,252 117.711,253 0.905,254 37,255 1.524,256 5.649,257 2.009,258 2.009,259 3.565,260 1,261 4.568,262 0.049,263 0.392,264 1.262,265 2.601,266 4.408,267 4,268 1.289,269 6,270 2.807,273 3.367,274 1.766,275 1.766,276 4.679,277 67.487,278 18.333,279 7.013}
{0 CHEMBL415072,1 14.96,2 4,4 45.808,6 0.035,7 0.763,8 0.566,9 1.565,10 3.223,12 -0.064,13 0.8,14 0.8,15 8,16 1,17 0.513,18 0.68,19 0.462,22 4.169,23 4.169,24 0.087,25 2,26 4.653,27 21.654,28 1,29 1.94,30 -5.35,31 0.339,32 5.187,33 27.712,34 8.201,35 0.139,36 0.219,37 -0.023,39 20,40 10.874,41 0.821,42 3.797,43 3.472,44 2,45 0.886,46 18.084,47 6.41,48 6.41,49 18,50 2,51 0.765,52 3.124,54 2.1,55 0.658,56 3.615,57 3.615,58 110.007,59 3.47,60 3.993,61 1.611,62 1.082,63 3.129,64 1.775,65 1,66 118.493,67 0.72,68 1.583,69 1.583,70 2.715,72 2.854,73 1.914,74 2.735,75 92.962,76 12,77 -0.055,78 1.241,79 6.683,80 0.706,81 1.141,82 14.956,83 1.107,84 3.683,85 3.683,86 3.683,87 4.744,88 3.861,89 8.512,90 8,91 5.281,92 0.188,93 4.575,94 16.423,95 4.459,97 8,98 10.613,99 6.793,100 3.909,101 2.546,102 12.794,103 12.794,104 12.794,105 12.794,106 12.794,107 0.054,108 17.542,109 1.094,110 1.062,111 17.394,112 0.24,113 3.887,114 8.276,115 16.154,116 16.154,117 16.154,118 16.154,119 16.154,120 14.741,121 1.89,122 0.16,123 13.921,125 -5.74,126 6.449,127 4.014,128 23.47,130 1.394,131 0.115,132 -5.88,133 3.424,134 3.281,135 3.281,137 0.542,138 1.565,139 13.002,140 2.955,141 2.955,142 1.107,144 2.83,145 1,146 3.91,147 1.181,148 3.665,149 4.522,150 0.5,152 11.614,153 -0.19,154 -0.19,155 35.701,156 1.661,157 0.246,159 1.232,160 0.152,162 3.919,163 7.816,164 0.125,165 4.909,166 0.62,167 3.702,168 -0.559,169 -0.559,171 -0.261,172 -0.261,173 14.626,174 12,175 2.275,176 2.275,177 -0.031,178 41.88,179 0.156,180 9.587,181 2.002,182 20.094,183 18.92,184 0.268,185 0.893,186 3.858,187 0.954,188 0.082,189 3.192,190 2.807,191 3.296,192 3.296,193 26,194 3.97,195 6.978,196 6.978,197 1.92,198 1,199 1.357,200 0.899,201 0.978,202 0.978,204 3.283,205 1.489,206 1.064,207 3.64,208 3.227,209 1.062,210 -0.207,211 0.646,212 4.154,213 0.325,215 0.741,216 2,217 0.821,218 3.562,219 1.782,220 56.782,221 0.372,222 3.414,223 1,224 1,225 3.841,226 0.945,227 0.667,228 -1.184,229 -1.184,230 38.427,231 104.804,232 3.911,233 4.812,234 122,235 4.718,236 1,237 1,238 14.96,239 1.918,242 1.879,243 1.879,244 24,245 39.446,246 33.194,248 5.475,249 0.886,250 3.791,251 8.954,252 191.527,253 1.181,254 94,255 1.732,256 8.558,257 2.33,258 2.33,259 3.752,261 11.198,262 0.029,263 1.409,264 1.034,265 4.721,266 4.677,267 4,268 0.997,269 12,270 3.7,271 8,273 3.682,274 2.533,275 2.533,276 4.944,277 98.039,278 17.494,279 7.493}
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{0 CHEMBL42,2 4,3 2.328,4 41.045,6 0.858,7 1.244,8 0.503,9 1.954,10 4.821,12 -0.097,13 1.032,14 1.032,15 7,17 1.139,18 0.854,19 0.462,21 1,22 4.509,23 4.509,24 1.073,25 3,26 2.965,27 8.79,29 1.919,30 -3.91,31 1.094,32 5.074,33 30.048,34 5.003,35 1.068,36 1.073,37 0.068,39 18,40 11.853,41 0.764,42 3.903,43 3.388,44 2,45 0.821,46 41.045,47 6.139,48 6.139,49 21,50 1,51 0.8,52 41.045,55 0.993,56 3.77,57 3.77,58 141.482,59 3.513,60 3.832,61 1.207,62 1.05,63 5.507,64 1.557,66 66.334,67 0.351,68 0.737,69 0.737,70 2.685,71 8.396,72 2.812,73 1.883,74 2.703,75 92.014,76 13,77 -0.056,78 1.203,79 7.131,80 0.69,81 1.543,82 14.157,83 1.028,84 4.131,85 4.131,86 4.131,87 4.763,88 3.781,89 7.821,90 7,91 5.457,92 0.644,93 4.441,94 18.159,95 4.476,96 1,97 7,98 10.564,99 6.258,100 3.811,101 2.671,102 12.863,103 12.863,104 12.863,105 12.863,106 12.863,107 0.8,108 16.688,109 0.826,110 0.99,111 17.8,112 0.237,113 3.751,114 7.587,115 15.74,116 15.74,117 15.74,118 15.74,119 15.74,120 14.033,121 1.857,122 0.173,123 8.423,125 -4.14,126 4.778,127 4.148,128 35.16,130 1.343,131 0.122,132 -4.19,133 3.31,134 3.457,135 3.457,136 1,137 0.71,138 1.576,140 3.047,141 3.047,142 1.247,144 2.624,145 1.308,146 3.893,147 1.211,148 3.606,149 4.469,150 0.615,152 11.204,153 -0.263,154 -0.263,155 36.593,156 1.666,157 0.259,159 1.105,160 0.159,162 4.006,163 7.788,164 0.689,165 4.955,166 0.704,167 3.875,168 -0.524,169 -0.524,170 1,171 -0.232,172 -0.232,173 14.092,174 14.5,175 2.232,176 2.232,177 -0.264,178 27.475,179 0.196,180 8.659,181 1.991,182 21.5,183 20.138,184 0.612,185 0.914,186 3.743,187 1.029,188 0.743,189 3.03,190 3,191 3.296,192 3.296,193 26,194 3.97,195 7.909,196 7.909,197 1.82,198 1,199 1.176,200 0.822,201 0.854,202 0.854,204 3.126,205 1.517,206 1.212,207 3.587,208 3.191,209 1.244,210 -0.202,211 0.755,212 4.201,213 0.57,215 0.76,216 2,217 0.958,218 3.42,219 1.738,221 0.422,222 3.414,223 1,224 1,225 3.811,226 0.891,227 0.705,228 -1.428,229 -1.428,230 39.514,231 94.845,232 3.853,233 4.844,234 126,235 4.779,239 1.886,240 0.114,242 1.687,243 1.687,244 23,245 40.129,246 28.972,248 6.133,249 1.031,250 3.776,251 8.487,252 211.88,253 1.085,254 75,255 1.668,256 8.766,257 2.243,258 2.243,259 3.892,261 9.955,262 0.032,263 1.46,264 1.119,265 5.919,266 4.625,267 5,268 1.267,269 13,270 3.807,272 0.521,273 3.597,274 2.412,275 2.412,276 4.824,277 100.042,278 18.699,279 8.301}
{0 CHEMBL420,1 1.899,2 1,3 20.819,4 99.12,6 1.342,7 0.936,8 1.876,9 1.744,10 1.572,12 0.089,13 1.072,14 1.072,15 3,17 0.96,18 1.013,19 0.429,21 2,22 4.344,23 4.344,24 1.293,26 2.679,27 7.175,29 1.32,30 -3.67,31 1.024,32 4.049,33 12.167,34 5.889,35 1.196,36 1.105,37 0.195,39 8,40 2.277,42 2.447,43 2.75,44 1,46 99.12,47 3.652,48 3.652,49 6,50 2,52 99.12,53 1,55 0.551,56 2.753,57 2.753,58 148.682,59 2.707,60 3.082,61 -0.533,62 0.109,63 2.144,64 -0.232,66 46.317,67 -1.832,68 -3.788,69 -3.788,70 1.464,72 1.729,73 1.404,74 1.558,75 40.515,76 8,77 -0.278,78 0.212,79 7.019,80 0.728,81 1.015,82 5.13,83 0.109,84 4.019,85 4.019,86 4.019,87 3.335,88 3.031,89 3.691,90 3,91 5.325,92 0.94,93 2.561,94 16.191,95 3.106,97 3,98 5.801,99 2.97,100 3.551,101 2.026,102 6.878,103 6.878,104 6.878,105 6.878,106 6.878,107 1.24,108 9.07,109 0.154,110 0.01,111 8.553,112 0.342,113 3.232,114 3.55,115 8.966,116 8.966,117 8.966,118 8.966,119 8.966,120 6.604,121 1.31,122 0.31,123 32.897,125 -3.86,126 5.038,127 3.573,128 74.26,130 0.58,131 0.212,132 -3.91,133 2.901,134 3.325,135 3.325,136 1,137 -0.671,138 0.218,140 2.481,141 2.481,142 0.532,144 1.159,145 -0.404,146 3.341,147 0.551,148 2.988,149 3.7,152 6.609,153 -3.888,154 -3.888,155 17.805,156 1.506,157 0.456,158 3,159 0.376,160 0.278,162 2.545,163 6.287,164 1.043,165 3.314,166 -0.966,167 2.463,168 -5.249,169 -5.249,171 -1.914,172 -1.914,173 7.72,174 9,175 -3.045,176 -3.045,177 0.274,178 4.959,179 -0.239,180 2.046,181 1.711,182 20.857,183 19.499,184 0.819,185 0.633,186 3.283,187 0.943,188 1.141,189 1.183,190 2.585,191 2.708,192 2.708,193 14,194 3.367,195 5.104,196 5.104,197 -0.477,198 -1.587,199 0.827,200 -0.937,201 -1.234,202 -1.234,204 2.815,205 1.491,206 -1.3,207 2.179,208 2.73,209 0.485,210 -1.83,211 1.131,212 3.416,213 0.623,215 1.137,216 0.046,218 2.763,219 1.115,221 0.688,222 1.353,223 -1,224 -1,225 3.258,226 0.784,227 1.076,228 -6.559,229 -6.559,230 20.352,231 58.038,232 3.582,233 4.174,234 64,235 4.167,239 1.875,242 0.295,243 0.295,244 14,245 20.789,246 16.023,248 4.841,249 0.068,250 3.174,251 5.032,252 47.084,253 0.238,254 32,255 1.045,256 4.1,257 1.565,258 1.565,259 2.468,260 1,261 1.525,262 0.063,263 2.124,264 1.132,265 3.822,266 3.229,267 3,268 0.913,269 8,270 3.17,273 2.975,274 1.569,275 1.569,276 3.437,277 47.303,278 18.069,279 6.679}
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{0 CHEMBL42024,1 4.276,2 1,3 65.473,4 63.066,6 7.96,7 2.511,8 0.627,9 2.972,10 4.462,12 0.189,13 1.701,14 1.701,15 2,17 3.388,18 1.409,19 0.545,21 1,22 4.473,23 4.473,24 7.458,25 1,26 2.52,27 6.349,28 1,29 1.734,30 -3.53,31 4.358,32 5.264,33 11.382,34 7.429,35 6.409,36 5.372,37 0.085,38 2,39 15,40 5.082,41 0.562,42 3.263,43 3.208,44 1,45 0.636,46 37.921,47 6.399,48 6.399,49 15,50 1,51 0.563,52 37.921,53 1,54 2.9,55 0.931,56 3.49,57 3.49,58 127.047,59 3.435,60 3.624,61 0.692,62 0.939,63 4.68,64 1.053,66 37.905,67 -0.37,68 -0.665,69 -0.665,70 2.483,71 8.825,72 2.674,73 1.821,74 2.473,75 57.566,76 12,77 -0.095,78 0.599,79 7.105,80 0.703,81 1.863,82 10.801,83 0.908,84 4.105,85 4.105,86 4.105,87 4.091,88 3.579,89 6.382,90 6,91 5.753,92 3.608,93 3.766,94 18.018,95 3.856,97 4,98 9.059,99 5.111,100 3.859,101 2.557,102 10.85,103 10.85,104 10.85,105 10.85,106 10.85,107 6.887,108 14.018,109 0.513,110 0.882,111 14.622,112 0.262,113 3.74,114 6.17,115 13.43,116 13.43,117 13.43,118 13.43,119 13.43,120 11.477,121 1.78,122 0.203,123 25.775,125 -3.71,126 4.93,127 4.019,128 45.23,130 0.552,131 0.145,132 -3.75,133 3.249,134 3.753,135 3.753,136 1,137 0.479,138 1.364,140 3.24,141 3.24,142 0.987,144 2.388,145 0.953,146 3.735,147 1.015,148 3.38,149 4.248,150 0.07,152 9.648,153 -1.52,154 -1.52,155 31.312,156 1.618,157 0.305,159 1.018,160 0.188,162 3.362,163 7.335,164 4.717,165 4.6,167 3.269,168 -2.255,169 -2.255,170 1,171 -1,172 -1,173 11.745,174 14.5,175 -0.21,176 -0.21,177 -0.196,178 12.995,179 0.087,180 3.919,181 1.96,182 21.278,183 19.926,184 2.473,185 0.861,186 3.749,187 1.001,188 5.808,189 2.64,190 3,191 3.135,192 3.135,193 22,194 3.807,195 7.27,196 7.27,197 0.833,198 -0.098,199 1.21,200 -0.07,201 -0.085,202 -0.085,203 3.98,204 3.04,205 1.563,206 0.963,207 3.105,208 3.058,209 0.963,210 -0.94,211 1.744,212 4.047,213 1.305,214 1,215 0.86,216 1.18,217 0.654,218 3.229,219 1.506,221 0.495,222 2.691,223 0.863,224 0.863,225 3.584,226 1.433,227 0.537,228 -2.347,229 -2.347,230 33.344,231 78.386,232 3.815,233 4.673,234 106,235 4.635,239 1.889,240 -0.223,241 1,242 1.432,243 1.432,244 20,245 34.16,246 23.898,247 2,248 5.931,249 0.726,250 3.534,251 7.37,252 129.482,253 0.943,254 58,255 1.442,256 7.477,257 2.117,258 2.117,259 3.383,260 1,261 4.688,262 0.046,263 1.249,264 1.001,265 5.445,266 4.126,267 5,268 1.033,269 13,270 3.807,271 3,272 0.075,273 3.379,274 2.21,275 2.21,276 4.334,277 86.439,278 18.487,279 6.8}
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{0 CHEMBL436513,1 29.92,2 3,3 5.085,4 52.807,7 0.863,8 0.636,9 1.799,10 -0.772,12 0.024,13 0.899,14 0.899,15 3,16 2,17 0.726,18 0.772,19 0.24,21 1,22 4.441,23 4.441,24 0.373,25 6,26 4.203,27 17.665,29 1.814,30 -4.96,31 0.619,32 5.175,33 25.377,34 8.211,35 0.445,36 0.526,37 -0.143,39 18,40 12.331,41 0.738,42 3.816,43 3.394,44 1,45 0.79,46 82.727,47 6.286,48 6.286,49 17,50 2,51 0.4,52 52.807,55 1.141,56 3.486,57 3.486,58 146.69,59 3.44,60 3.805,61 1,62 1.033,63 3.132,64 1.234,66 73.926,70 2.57,71 17.65,72 2.874,73 1.902,74 2.618,75 52.184,76 9,77 -0.09,78 1.351,79 7.026,80 0.636,81 1.125,82 3.642,83 1.037,84 4.026,85 4.026,86 4.026,87 4.943,88 3.745,89 8.086,90 3,91 5.522,93 4.179,94 19.827,95 4.643,97 3,98 10.52,99 6.509,100 3.916,101 2.924,102 12.344,103 12.344,104 12.344,105 12.344,106 12.344,108 16.508,109 1.249,110 1.048,111 16.296,112 0.248,113 3.824,114 7.85,115 15.11,116 15.11,117 15.11,118 15.11,119 15.11,120 13.968,121 1.875,122 0.178,123 11.815,125 -5.31,126 8.191,127 4.365,128 36.42,130 1.039,131 0.136,132 -5.43,133 3.467,134 3.522,135 3.522,136 2,137 0.794,138 1.576,139 27.156,140 3.224,141 3.224,142 1.081,144 2.656,145 1.166,146 3.859,147 1.118,148 3.562,149 4.433,150 0.501,152 10.954,153 -0.144,154 -0.144,155 34.706,156 1.66,157 0.292,159 1.108,160 0.175,162 3.882,163 7.759,165 4.857,166 0.512,167 3.763,168 -1.115,169 -1.115,171 -0.433,172 -0.433,173 13.852,174 9,175 0.565,176 0.565,177 -0.055,178 27.506,179 0.065,180 8.689,181 1.995,182 21.025,183 19.686,185 1.052,186 3.816,187 0.956,189 2.794,190 2.585,191 3.258,192 3.258,193 25,194 3.932,195 7.23,196 7.23,197 1.173,198 0.257,199 1.441,200 0.225,201 0.243,202 0.243,204 3.286,205 1.486,206 0.415,207 3.659,208 3.189,209 1.069,210 -0.408,211 0.667,212 4.209,215 0.9,216 1.352,217 0.804,218 3.429,219 1.586,221 0.501,222 2.868,223 0.407,224 0.407,225 3.773,226 0.543,227 0.531,228 -1.242,229 -1.242,230 36.852,231 89.195,232 3.82,233 4.812,234 122,235 4.714,236 2,237 2,238 29.92,239 1.901,240 0.314,241 2,242 1.741,243 1.741,244 23,245 38.05,246 29.268,247 1,248 6.468,249 0.862,250 3.713,251 8.608,252 194.716,253 1.079,254 71,255 1.521,256 8.202,257 2.208,258 2.208,259 3.793,261 8.979,262 0.054,263 0.777,264 1.103,265 4.337,266 4.757,267 3,268 0.995,269 8,270 3.17,271 5,272 0.267,273 3.549,274 2.266,275 2.266,276 5.025,277 100.042,278 18.283,279 8.854}
{0 CHEMBL43655,1 4.276,2 2,3 41.747,4 95.35,6 7.551,7 3.827,8 0.615,9 4.069,10 2.595,12 0.166,13 2.035,14 2.035,15 9,17 5.123,18 1.12,19 0.4,22 4.147,23 4.147,24 10.666,25 3,26 2.984,27 8.903,28 1,29 1.989,30 -3.93,31 6.479,32 5.158,33 26.678,34 7.431,35 9.26,36 7.863,37 0.018,38 2,39 23,40 13.513,41 0.922,42 3.924,43 3.584,44 2,45 1.006,46 70.205,47 6.413,48 6.413,49 18,51 1.656,52 70.205,53 1,54 1.8,55 1.117,56 3.457,57 3.457,58 204.058,59 3.432,60 4.026,61 2,62 1.111,63 9.476,64 2.434,65 1,66 85.286,67 1.177,68 2.136,69 2.136,70 2.807,72 3.031,73 1.906,74 2.812,75 115.292,76 13,77 -0.077,78 1.344,79 6.735,80 0.654,81 2.711,82 17.651,83 1.245,84 3.735,85 3.735,86 3.735,87 5.022,88 3.932,89 9.95,90 9,91 6.058,92 3.414,93 5.714,94 13.727,95 4.736,96 1,97 9,98 13.373,99 8.115,100 3.922,101 2.673,102 14.826,103 14.826,104 14.826,105 14.826,106 14.826,107 6.531,108 20.251,109 1.213,110 1.25,111 20.455,112 0.221,113 3.852,114 9.741,115 19.3,116 19.3,117 19.3,118 19.3,119 19.3,120 16.466,121 1.879,122 0.138,123 54.582,125 -4.15,126 6.82,127 3.946,128 68.16,130 1.465,131 0.092,132 -4.21,133 3.635,134 4.058,135 4.058,136 1,137 1.181,138 1.854,140 2.934,141 2.934,142 1.33,144 2.879,145 1.325,146 4.062,147 1.314,148 3.682,149 4.765,150 1.164,151 1,152 13.725,153 0.936,154 0.936,155 41.511,156 1.702,157 0.189,158 1,159 1.21,160 0.124,162 3.998,163 8.269,164 4.466,165 4.851,166 1.354,167 3.841,168 0.623,169 0.623,171 0.402,172 0.402,173 17.579,174 17,175 2.538,176 2.538,177 -0.102,178 28.724,179 -0.03,180 9.058,181 2.006,182 20.007,183 18.842,184 2.354,185 1.032,186 3.85,187 0.96,188 5.504,189 3.247,190 3.322,191 3.434,192 3.434,193 30,194 4.111,195 6.946,196 6.946,197 2.141,198 1.418,199 1.539,200 1.137,201 1.154,202 1.154,204 3.449,205 1.539,206 1.5,207 3.81,208 3.373,209 1.326,210 0.381,211 1.044,212 4.299,213 1.305,214 1,215 1.004,216 2.5,217 1.051,218 3.633,219 1.808,221 0.267,222 3.452,223 1.207,224 1.207,225 3.866,226 0.806,227 0.48,230 44.028,231 112.645,232 3.859,233 4.92,234 136,235 4.89,239 1.916,240 0.803,242 1.899,243 1.899,244 28,245 43.385,246 36.614,247 2,248 5.64,249 1.106,250 3.813,251 10.356,252 247.193,253 1.23,254 120,255 1.753,256 9.047,257 2.346,258 2.346,259 3.889,261 10.266,262 0.04,263 1.171,264 1.004,265 6.495,266 4.916,267 3,268 0.928,269 14,270 3.907,271 1,272 0.8,273 3.687,274 2.539,275 2.539,276 5.204,277 130.606,278 17.399,279 5.532}
{0 CHEMBL43666,1 4.276,2 1,3 25.145,4 75.291,6 7.551,7 2.545,8 0.615,9 2.912,10 2.915,12 0.076,13 1.656,14 1.656,15 9,17 3.285,18 1.019,19 0.4,22 4.092,23 4.092,24 7.084,25 3,26 3.061,27 9.372,28 2,29 1.984,30 -3.99,31 4.168,32 5.158,33 25.869,34 7.431,35 6.092,36 5.115,37 0.046,38 2,39 23,40 11.953,41 1.064,42 3.88,43 3.597,44 2,45 1.133,46 39.146,47 6.412,48 6.412,49 18,51 0.86,52 39.146,53 1,54 3.4,55 1.215,56 3.457,57 3.457,58 169.338,59 3.435,60 4.03,61 1.984,62 1.089,63 7.126,64 2,66 85.286,67 1,68 2.136,69 2.136,70 2.91,71 10.883,72 3.111,73 1.882,74 2.941,75 111.631,76 13,77 -0.099,78 1.304,79 6.682,80 0.637,81 2.109,82 18.16,83 1.393,84 3.682,85 3.682,86 3.682,87 4.968,88 3.941,89 10.055,90 9,91 5.546,92 3.414,93 5.693,94 13.521,95 4.696,96 2,97 9,98 13.256,99 8.183,100 3.913,101 2.623,102 14.81,103 14.81,104 14.81,105 14.81,106 14.81,107 6.531,108 20.452,109 1.11,110 1.375,111 20.455,112 0.221,113 3.824,114 9.813,115 19.3,116 19.3,117 19.3,118 19.3,119 19.3,120 16.51,121 1.857,122 0.136,123 54.582,125 -4.23,126 4.875,127 3.941,128 53.6,130 1.552,131 0.091,132 -4.29,133 3.634,134 3.546,135 3.546,136 1,137 1.207,138 1.803,140 2.879,141 2.879,142 1.429,144 2.859,145 1.328,146 4.062,147 1.513,148 3.682,149 4.765,150 1.169,151 2,152 13.725,153 1.149,154 1.149,155 41.225,156 1.7,157 0.188,158 1,159 1.216,160 0.124,162 3.989,163 8.253,164 4.466,165 4.954,166 1.294,167 3.822,168 0.624,169 0.624,171 0.429,172 0.429,173 17.671,174 14.5,175 2.275,176 2.275,177 -0.147,178 29.663,179 0.047,180 7.885,181 2,182 19.835,183 18.702,184 2.354,185 1.101,186 3.827,187 0.954,188 5.504,189 3.247,190 3,191 3.434,192 3.434,193 30,194 4.111,195 6.949,196 6.949,197 2,198 1.417,199 1.541,200 1,201 1,202 1,204 3.451,205 1.459,206 1.5,207 3.725,208 3.373,209 1.376,210 0.368,211 1.188,212 4.281,213 1.305,214 1,215 0.916,216 2.436,217 1.065,218 3.644,219 1.807,221 0.262,222 3.414,223 1.198,224 1.198,225 3.867,226 0.828,227 0.601,228 0.194,229 0.194,230 42.562,231 113.447,232 3.85,233 4.92,234 136,235 4.828,239 1.917,240 0.792,242 1.905,243 1.905,244 28,245 43.417,246 37.586,247 2,248 5.616,249 1.153,250 3.814,251 10.376,252 270.735,253 1.386,254 122,255 1.752,256 9.121,257 2.346,258 2.346,259 3.903,261 9.933,262 0.033,263 2.146,264 0.911,265 6.274,266 4.914,267 3,268 1.038,269 13,270 3.807,271 2,272 0.8,273 3.687,274 2.449,275 2.449,276 5.192,277 126.606,278 17.25,279 6.213}
{0 CHEMBL43677,1 19.236,2 2,3 41.747,4 95.35,6 7.551,7 3.827,8 0.674,9 4.069,10 2.164,12 0.091,13 2.035,14 2.035,15 8,16 1,17 5.123,18 0.738,19 0.387,22 4.147,23 4.147,24 10.666,25 3,26 3.358,27 11.275,28 1,29 1.97,30 -4.24,31 6.479,32 5.158,33 25.413,34 8.201,35 9.26,36 7.863,37 -0.021,38 2,39 23,40 11.223,41 1.024,42 3.842,43 3.595,44 2,45 1.076,46 85.165,47 6.413,48 6.413,49 18,50 1,51 1.656,52 70.205,53 1,54 1.8,55 1.116,56 3.62,57 3.62,58 203.703,59 3.497,60 4.024,61 1.984,62 1.082,63 9.476,64 2.438,65 1,66 75.81,67 1,68 2.275,69 2.275,70 2.91,72 3.111,73 1.906,74 2.941,75 114.936,76 13,77 -0.084,78 1.346,79 6.735,80 0.653,81 2.711,82 13.692,83 1.262,84 3.735,85 3.735,86 3.735,87 4.919,88 3.947,89 10.025,90 8,91 6.058,92 3.414,93 5.728,94 13.521,95 4.652,96 1,97 8,98 13.645,99 8.155,100 3.923,101 2.673,102 15.276,103 15.276,104 15.276,105 15.276,106 15.276,107 6.531,108 20.672,109 1.247,110 1.276,111 20.86,112 0.219,113 3.852,114 9.837,115 19.748,116 19.748,117 19.748,118 19.748,119 19.748,120 16.835,121 1.879,122 0.134,123 54.582,125 -4.51,126 7.431,127 4.032,128 68.16,130 1.362,131 0.089,132 -4.59,133 3.637,134 4.058,135 4.058,136 1,137 1.366,138 1.87,139 13.006,140 2.934,141 2.934,142 1.401,144 2.901,145 1.348,146 4.093,147 1.383,148 3.684,149 4.804,150 1.181,151 1,152 14.119,153 1.196,154 1.196,155 42.99,156 1.709,157 0.182,158 1,159 1.216,160 0.12,162 3.942,163 8.353,164 4.466,165 5.079,166 1.374,167 3.8,168 0.626,169 0.626,171 0.429,172 0.429,173 18.002,174 17,175 2.275,176 2.275,177 -0.09,178 29.154,179 0.077,180 8.058,181 2.006,182 20.232,183 19.037,184 2.354,185 1.021,186 3.851,187 0.961,188 5.504,189 3.414,190 3.322,191 3.466,192 3.466,193 31,194 4.143,195 7.015,196 7.015,197 2,198 1.42,199 1.541,200 1,201 1,202 1,204 3.454,205 1.555,206 1.5,207 3.701,208 3.406,209 1.376,210 0.404,211 0.704,212 4.337,213 1.305,214 1,215 0.908,216 2.5,217 1.064,218 3.631,219 1.803,221 0.253,222 3.414,223 1.198,224 1.198,225 3.873,226 0.728,227 0.475,228 0.491,229 0.491,230 45.707,231 112.938,232 3.869,233 4.963,234 142,235 4.927,236 1,237 1,238 14.96,239 1.914,240 0.814,242 1.928,243 1.928,244 29,245 45.37,246 36.552,247 2,248 5.629,249 1.153,250 3.82,251 10.739,252 238.611,253 1.235,254 140,255 1.75,256 9.532,257 2.35,258 2.35,259 3.868,261 9.707,262 0.033,263 1.493,264 0.916,265 6.708,266 4.856,267 4,268 1.032,269 14,270 3.907,271 2,272 0.8,273 3.686,274 2.568,275 2.568,276 5.128,277 132.881,278 17.615,279 6.777}
{0 CHEMBL43697,1 4.901,2 4,4 19.91,6 0.236,7 0.671,8 0.405,9 1.605,10 4.053,12 -0.089,13 0.916,14 0.916,15 9,17 0.533,18 1.192,19 0.64,22 4.711,23 4.711,24 0.262,25 4,26 3.756,27 14.107,29 1.987,30 -4.58,31 0.438,32 5.078,33 24.046,34 4.98,35 0.309,36 0.366,37 0.012,39 20,40 14.925,41 0.821,42 4.034,43 3.418,44 2,45 0.886,46 19.91,47 5.544,48 5.544,49 21,51 0.172,52 19.91,55 1.003,56 3.596,57 3.596,58 137.147,59 3.567,60 3.902,61 1.513,62 1.103,63 2.178,64 1.902,66 85.286,67 0.715,68 1.363,69 1.363,70 2.715,71 8.396,72 2.854,73 1.915,74 2.735,75 107.528,76 14,77 -0.005,78 1.435,79 7.626,80 0.673,81 0.918,82 19.445,83 1.107,84 4.626,85 4.626,86 4.626,87 4.997,88 3.817,89 8.156,90 9,91 5.508,92 0.384,93 4.423,94 19.58,95 4.658,96 1,97 9,98 10.677,99 6.599,100 3.84,101 2.58,102 12.387,103 12.387,104 12.387,105 12.387,106 12.387,107 0.273,108 16.416,109 1.115,110 1.062,111 17.394,112 0.24,113 3.787,114 7.935,115 15.397,116 15.397,117 15.397,118 15.397,119 15.397,120 14.138,121 1.885,122 0.188,123 9.709,125 -4.89,126 4.708,127 3.994,128 19.03,130 1.464,131 0.134,132 -4.99,133 3.377,134 3.508,135 3.508,137 0.622,138 1.413,140 3.038,141 3.038,142 1.176,144 2.417,145 1.276,146 3.851,147 1.222,148 3.658,149 4.418,150 0.527,152 10.843,153 -0.39,154 -0.39,155 36.953,156 1.656,157 0.283,159 1.15,160 0.173,162 4.136,163 7.67,164 0.351,165 4.527,166 0.439,167 3.984,168 -1.306,169 -1.306,171 -0.544,172 -0.544,173 13.576,174 14,175 2.136,176 2.136,177 -0.063,178 28.416,179 0.04,180 10.341,181 2.019,182 22.995,183 21.481,184 0.393,185 0.954,186 3.778,187 1.033,188 0.312,189 3.247,190 3.17,191 3.258,192 3.258,193 25,194 3.932,195 8.403,196 8.403,197 1.986,198 1.309,199 1.374,200 0.985,201 1,202 1,204 3.266,205 1.505,206 1.414,207 3.631,208 3.149,209 1.139,210 -0.533,211 0.898,212 4.221,213 0.325,215 0.928,216 2.342,217 0.877,218 3.477,219 1.8,221 0.489,222 3.296,223 1,224 1,225 3.864,226 0.923,227 0.958,228 -1.881,229 -1.881,230 38.134,231 92.512,232 3.766,233 4.796,234 120,235 4.754,239 1.939,240 0.125,242 1.424,243 1.424,244 22,245 38.732,246 29.625,248 6.072,249 0.948,250 3.806,251 8.152,252 200.109,253 1.181,254 61,255 1.744,256 8.459,257 1.912,258 1.912,259 3.971,261 12.15,262 0.048,263 1.068,264 1.216,265 5.267,266 4.821,267 3,268 1.137,269 16,270 4.087,271 1,273 3.664,274 2.341,275 2.341,276 5.057,277 94.107,278 19.944,279 7.854}
{0 CHEMBL437007,1 17.717,3 88.991,4 71.854,5 1,6 0.035,7 2.494,8 0.584,9 2.555,10 2.089,12 -0.056,13 1.277,14 1.277,15 4,16 1,17 2.926,18 0.786,19 0.367,20 1.812,22 4.491,23 4.491,24 4.823,26 3.006,27 9.033,28 2,29 1.931,30 -3.94,31 3.386,32 5.499,33 22.289,34 8.201,35 4.339,36 3.859,37 -0.023,39 21,40 9.445,41 0.913,42 3.833,43 3.542,44 1,45 0.976,46 36.524,47 6.855,48 6.855,49 21,50 1,51 1.277,52 21.564,54 3.9,55 1.143,56 3.787,57 3.787,58 121.884,59 3.559,60 4.007,61 1.984,62 1.052,63 6.71,64 2.333,66 37.905,67 1.168,68 2.275,69 2.275,70 2.715,71 8.396,72 2.953,73 1.879,74 2.736,75 74.817,76 11,77 -0.094,78 1.337,79 7.149,80 0.652,81 2.139,82 7.511,83 1.247,84 4.149,85 4.149,86 4.149,87 4.774,88 3.959,89 9.443,90 5,91 5.72,92 0.188,93 4.952,94 17.79,95 4.54,97 4,98 12.48,99 7.566,100 3.96,101 3.03,102 14.766,103 14.766,104 14.766,105 14.766,106 14.766,107 0.054,108 19.439,109 1.154,110 1.221,111 19.997,112 0.224,113 3.865,114 9.228,115 18.102,116 18.102,117 18.102,118 18.102,119 18.102,120 16.799,121 1.846,122 0.15,123 16.455,125 -4.18,126 7.428,127 4.259,128 55.2,130 1.064,131 0.105,132 -4.24,133 3.55,134 3.72,135 3.72,136 2,137 1.115,138 2.016,139 13.043,140 3.113,141 3.113,142 1.335,144 3.056,145 1.298,146 4.035,147 1.335,148 3.667,149 4.681,150 1.072,151 1,152 13.008,153 2.235,154 2.235,155 44.477,156 1.695,157 0.222,159 1.349,160 0.138,161 1,162 3.995,163 8.172,164 0.125,165 5.3,166 1.052,167 3.833,168 0.222,169 0.222,171 0.084,172 0.084,173 16.492,174 13,175 2.275,176 2.275,177 -0.07,178 31.337,179 -0.006,180 7.128,181 2.002,182 21.578,183 20.198,184 0.268,185 1.027,186 3.871,187 0.979,188 0.082,189 3.414,190 3.087,191 3.434,192 3.434,193 30,194 4.111,195 7.668,196 7.668,197 2,198 1.445,199 1.354,200 1,201 1,202 1,203 4.215,204 3.378,205 1.589,206 1.5,207 3.639,208 3.34,209 1.336,210 0.081,211 0.879,212 4.432,213 0.325,215 0.996,216 2.494,217 1.064,218 3.57,219 1.761,221 0.357,222 3.663,223 1.045,224 1.045,225 3.858,226 1.011,227 0.471,228 -0.51,229 -0.51,230 45.914,231 103.278,232 3.906,233 4.99,234 146,235 4.918,236 1,237 1,238 14.96,239 1.914,240 0.67,242 2.072,243 2.072,244 27,245 47.196,246 33.239,248 6.393,249 1.121,250 3.803,251 10.112,252 238.611,253 1.308,254 113,255 1.714,256 10.383,257 2.403,258 2.403,259 3.904,261 9.743,262 0.051,263 1.517,264 0.79,265 5.68,266 4.888,267 4,268 1.131,269 13,270 3.807,271 6,272 0.8,273 3.667,274 2.626,275 2.626,276 5.154,277 120.382,278 18.776,279 7.52}
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{0 CHEMBL469668,2 3,4 59.932,6 20.915,7 5.637,8 0.979,9 5.542,10 0.503,12 0.494,13 4.032,14 4.032,15 4,17 8.374,18 0.797,19 0.207,22 4.526,23 4.526,24 19.52,25 3,26 2.784,27 7.75,28 2,29 1.963,30 -3.76,31 11.156,32 5.418,33 47.605,34 8.516,35 16.732,36 13.943,37 0.376,39 20,40 18.59,41 1.027,42 4.274,43 3.532,44 1,45 1.047,46 51.129,47 7.184,48 7.184,49 18,51 0.8,52 6.249,54 3.6,55 1.351,56 3.377,57 3.377,58 93.998,59 3.582,60 3.991,61 1.847,62 1.169,63 12.052,64 2,66 80.588,67 0.968,68 2.23,69 2.23,70 2.91,71 8.396,72 3.111,73 1.813,74 2.925,75 54.73,76 6,77 -0.025,78 2.017,79 6.81,80 0.61,81 3.253,82 6.158,83 1.374,84 3.81,85 3.81,86 3.81,87 5.509,88 3.943,89 9.554,90 4,91 6.437,92 9.758,93 4.893,94 21.413,95 5.218,96 1,97 4,98 12.064,99 7.695,100 3.82,101 2.606,102 14.342,103 14.342,104 14.342,105 14.342,106 14.342,107 18.126,108 19.322,109 1.903,110 1.376,111 18.663,112 0.231,113 3.71,114 9.381,115 17.471,116 17.471,117 17.471,118 17.471,119 17.471,120 16.397,121 1.773,122 0.156,123 23.201,125 -3.96,126 7.999,127 4.192,128 35.94,130 1.763,131 0.12,132 -4.01,133 3.46,134 4.437,135 4.437,137 0.669,138 1.803,139 37.887,140 3.055,141 3.055,142 1.429,144 2.888,145 1.213,146 4.016,147 1.511,148 3.619,149 4.655,150 0.591,151 1,152 12.751,155 40.037,156 1.709,157 0.26,159 1.317,160 0.154,162 4.283,163 8.25,164 12.548,165 5.148,166 0.773,167 4.18,168 -0.292,169 -0.292,171 -0.101,172 -0.101,173 16.772,174 6.5,175 2.275,176 2.275,177 -0.139,178 47.55,179 0.183,180 12.692,181 1.999,182 20.226,183 18.968,184 6.953,185 1.185,186 3.703,187 0.904,188 15.337,189 3.414,190 2,191 3.401,192 3.401,193 29,194 4.078,195 8.204,196 8.204,197 1.967,198 1,199 1.342,200 0.965,201 1,202 1,204 3.257,205 1.476,206 1,207 4.059,208 3.341,209 1.376,210 -0.087,211 0.722,212 4.295,213 4.056,215 0.802,216 2,217 1.064,218 3.553,219 1.767,221 0.468,222 3.478,223 1,224 1,225 3.851,226 0.453,227 0.627,228 -0.838,229 -0.838,230 43.543,231 100.185,232 3.728,233 4.963,234 142,235 4.8,236 3,237 3,238 44.88,239 1.944,240 0.309,242 1.959,243 1.959,244 27,245 44.501,246 34.154,248 6.457,249 1.153,250 3.803,251 10.684,252 270.735,253 1.316,254 106,255 1.693,256 8.907,257 2.559,258 2.559,259 4.142,261 15.213,262 0.053,263 0.763,264 1.109,265 4.425,266 5.141,267 2,268 1.19,269 6,270 2.807,272 0.8,273 3.611,274 2.484,275 2.484,276 5.368,277 115.627,278 17.595,279 5}
{0 CHEMBL469729,2 2,4 32.897,8 1.028,10 2.193,12 -0.049,15 4,18 0.381,19 0.462,22 4.285,23 4.285,25 1,26 2.713,27 7.359,29 1.413,30 -3.7,32 3.533,33 5.378,34 5.016,37 -0.059,39 10,40 1.194,42 2.104,43 2.826,44 1,46 32.897,47 2.275,48 2.275,49 9,50 1,52 32.897,55 0.791,56 3.07,57 3.07,58 82.129,59 2.836,60 3.234,61 -0.786,62 0.712,64 -0.5,66 37.905,67 -1.777,68 -5.194,69 -5.194,70 1.288,72 1.656,73 1.464,74 1.377,75 44.591,76 6,77 -0.022,78 0.181,79 6.716,80 0.685,82 8.094,83 0.23,84 3.716,85 3.716,86 3.716,87 2.604,88 3.106,89 4.282,90 4,91 5.333,93 2.169,94 17.568,95 2.331,97 4,98 5.456,99 3.419,100 3.724,101 2.283,102 6.342,103 6.342,104 6.342,105 6.342,106 6.342,108 8.736,109 0.06,110 0.133,111 8.553,112 0.342,113 3.647,114 4.149,115 8.163,116 8.163,117 8.163,118 8.163,119 8.163,120 7.523,121 1.386,122 0.33,123 37.537,125 -3.9,126 4.934,127 3.789,128 26.02,130 0.75,131 0.244,132 -3.94,133 2.854,134 3.333,135 3.333,140 2.366,141 2.366,142 0.583,144 0.906,145 -0.729,146 3.212,147 0.681,148 2.898,149 3.507,152 5.809,153 -5.275,154 -5.275,155 17.86,156 1.451,157 0.512,159 1.004,160 0.32,162 2.571,163 5.822,165 3.414,166 -1,167 2.352,168 -6.813,169 -6.813,171 -2,172 -2,173 7.411,174 6,175 -3.288,176 -3.288,177 0.233,178 9.044,179 0.063,180 0.931,181 1.725,182 19.706,183 18.492,185 0.857,186 3.633,187 0.969,189 0.853,190 2,191 2.639,192 2.639,193 13,194 3.296,195 5.504,196 5.504,197 -0.596,198 -1.608,199 0.821,200 -1.109,201 -1.351,202 -1.351,204 2.715,205 1.5,206 -1.5,207 1.401,208 2.597,209 0.508,210 -2,211 0.462,212 3.538,215 0.89,216 -0.102,218 2.898,219 1.15,221 0.827,222 1.46,223 -1,224 -1,225 3.28,226 0.998,227 0.969,230 19.056,231 51.309,232 3.764,233 4.143,234 62,235 4.052,239 1.871,241 1,244 12,245 19.912,246 16.432,248 5.307,249 0.099,250 3.162,251 4.422,252 105.94,253 0.381,254 25,255 1.099,256 3.932,257 1,258 1,259 2.619,260 1,261 2.049,262 0.065,263 1.511,264 1.001,265 2.317,266 3.445,267 2,268 0.966,269 6,270 2.807,273 2.904,274 0.888,275 0.888,276 3.73,277 39.02,278 17.086,279 5.349}
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{0 CHEMBL490417,2 2,3 46.635,4 77.19,6 10.594,7 3.301,8 0.424,9 3.634,10 5.098,12 -0.045,13 2.03,14 2.03,15 6,17 4.5,18 0.602,19 0.5,21 1,22 4.551,23 4.551,24 9.952,25 1,26 2.209,27 4.881,28 2,29 1.935,30 -3.27,31 5.815,32 5.381,33 25.493,34 7.429,35 8.557,36 7.175,37 -0.023,38 1,39 24,40 13.171,41 1.038,42 3.952,43 3.651,44 2,45 1.11,46 41.045,47 7.044,48 7.044,49 26,51 0.892,52 41.045,54 3.6,55 1.12,56 3.93,57 3.93,58 169.457,59 3.588,60 4.079,61 1.967,62 1.151,63 9.327,64 2.262,66 75.81,67 1.178,68 2.275,69 2.275,70 2.91,71 8.825,72 3.084,73 1.938,74 2.941,75 100.154,76 16,77 -0.004,78 1.409,79 7.474,80 0.666,81 2.452,82 16.775,83 1.349,84 4.474,85 4.474,86 4.474,87 4.966,88 4.04,89 10.409,90 8,91 5.653,92 4.754,93 5.784,94 18.031,95 4.696,97 8,98 14.123,99 8.349,100 3.979,101 2.846,102 16.813,103 16.813,104 16.813,105 16.813,106 16.813,107 9.16,108 21.813,109 1.223,110 1.303,111 23.463,112 0.206,113 3.886,114 10.161,115 20.618,116 20.618,117 20.618,118 20.618,119 20.618,120 18.446,121 1.913,122 0.134,123 35.666,124 1,125 -3.42,126 4.984,127 4.302,128 57.7,129 1,130 1.25,131 0.092,132 -3.44,133 3.557,134 3.653,135 3.653,136 1,137 1.731,138 2.037,140 3.249,141 3.249,142 1.429,143 1,144 3.057,145 1.559,146 4.156,147 1.513,148 3.609,149 4.859,150 1.227,152 14.653,153 2.106,154 2.106,155 48.951,156 1.721,157 0.197,159 1.24,160 0.121,162 4.096,163 8.47,164 6.249,165 5.206,166 1.761,167 3.944,168 1.92,169 1.92,171 0.809,172 0.809,173 18.452,174 19,175 3.466,176 3.466,177 -0.217,178 29.477,180 8.976,181 2.055,182 22.61,183 21.15,184 3.226,185 0.978,186 3.891,187 1.022,188 7.714,189 3.414,190 3.392,191 3.555,192 3.555,193 34,194 4.234,195 8.003,196 8.003,197 2.398,198 1.842,199 1.481,200 1.385,201 1.418,202 1.418,203 4.672,204 3.415,205 1.538,206 2.01,207 3.827,208 3.44,209 1.376,210 0.764,211 0.602,212 4.498,213 1.738,215 1.017,216 2.774,217 1.064,218 3.673,219 1.744,221 0.319,222 4.036,223 1.567,224 1.567,225 3.858,226 0.518,227 0.588,228 1.45,229 1.45,230 50.961,231 117.553,232 3.929,233 5.106,234 164,235 5.045,239 2.022,240 0.842,241 1,242 2.067,243 2.067,244 30,245 51.952,246 37.307,247 1,248 6.212,249 1.153,250 3.79,251 11.116,252 270.735,253 1.424,254 118,255 1.676,256 11.43,257 2.434,258 2.434,259 4.061,261 10.178,262 0.031,263 0.796,264 1.067,265 7.696,266 4.953,267 5,268 1.072,269 18,270 4.248,271 8,272 0.8,273 3.599,274 2.734,275 2.734,276 5.22,277 141.207,278 19.652,279 5.9}
{0 CHEMBL490613,1 13.915,3 32.177,4 52.957,6 20.124,7 5.436,8 0.639,9 5.335,10 0.005,12 0.308,13 3.825,14 3.825,15 8,17 8.059,18 0.628,19 0.4,20 1.981,22 4.6,23 4.6,24 18.783,26 4.937,27 24.373,28 1,29 1.972,30 -5.59,31 10.734,32 6.077,33 35.465,34 8.513,35 16.1,36 13.416,37 0.154,38 1,39 27,40 13.829,41 1.064,42 4.096,43 3.777,44 2,45 1.153,46 72.693,47 8.786,48 8.786,49 27,51 1.058,52 27.813,54 1.6,55 1.147,56 3.89,57 3.89,58 184.253,59 3.79,60 4.184,61 2.323,62 1.149,63 14.167,64 2.605,66 113.286,67 1.628,68 3.509,69 3.509,70 2.937,72 3.146,73 1.93,74 2.941,75 115.15,76 18,77 -0.01,78 2.082,79 7.522,80 0.659,81 3.247,82 17.567,83 1.424,84 4.522,85 4.522,86 4.522,87 5.215,88 4.165,89 11.964,90 10,91 6.461,92 9.389,93 6.747,94 18.865,95 4.949,97 9,98 16.561,99 9.678,100 3.981,101 2.923,102 19.765,103 19.765,104 19.765,105 19.765,106 19.765,107 17.441,108 25.404,109 1.764,110 1.376,111 26.929,112 0.193,113 3.878,114 11.813,115 24.264,116 24.264,117 24.264,118 24.264,119 24.264,120 21.308,121 1.897,122 0.115,123 20.705,124 1,125 -6.01,126 7.999,127 4.463,128 46.3,130 1.548,131 0.083,132 -6.17,133 3.759,134 4.461,135 4.461,136 2,137 2.392,138 2.204,139 39.059,140 3.52,141 3.52,142 1.429,143 1,144 3.262,145 1.626,146 4.321,147 1.513,148 3.68,149 5.103,150 2.054,151 1,152 17.381,153 2.851,154 2.851,155 57.189,156 1.766,157 0.178,159 1.234,160 0.105,161 1,162 4.21,163 8.995,164 12.074,165 5.656,166 2.066,167 4.11,168 2.593,169 2.593,170 2,171 1.08,172 1.08,173 22.042,174 19,175 3.617,176 3.617,177 -0.153,178 40.013,179 0.038,180 10.635,181 2.039,182 22.757,183 21.285,184 6.69,185 1.004,186 3.883,187 1.01,188 14.758,189 4.035,190 3.585,191 3.714,192 3.714,193 40,194 4.394,195 9.062,196 9.062,197 2.479,198 1.941,199 1.671,200 1.464,201 1.5,202 1.5,204 3.597,205 1.527,206 2.201,207 3.989,208 3.615,209 1.447,210 1.06,211 0.618,212 4.636,213 3.919,215 0.969,216 2.949,217 1.092,218 3.783,219 1.793,221 0.293,222 4.203,223 1.548,224 1.548,225 3.88,226 0.842,227 0.53,228 2.487,229 2.487,230 61.763,231 136.051,232 3.928,233 5.273,234 194,235 5.215,236 3,237 3,238 44.88,239 1.913,240 1.967,241 1,242 2.298,243 2.298,244 36,245 61.1,246 42.194,248 6.713,249 1.163,250 3.829,251 13.767,252 282.506,253 1.461,254 158,255 1.741,256 13.332,257 2.812,258 2.812,259 4.174,261 12.417,262 0.037,263 1.345,264 0.991,265 8.69,266 5.096,267 2,268 1.033,269 19,270 4.322,271 6,272 0.8,273 3.667,274 2.947,275 2.947,276 5.354,277 175.362,278 19.784,279 7.081}
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{0 CHEMBL493069,1 32.18,3 92.893,4 99.066,6 0.035,7 3.326,8 0.922,9 3.349,10 1.331,12 -0.011,13 1.674,14 1.674,15 4,16 1,17 4.139,18 0.761,19 0.333,22 4.575,23 4.575,24 7.954,26 2.854,27 8.144,28 5,29 1.927,30 -3.82,31 5.031,32 5.522,33 26.767,34 8.201,35 6.955,36 5.976,37 0.036,39 23,40 10.876,41 1.032,42 3.909,43 3.618,44 1,45 1.07,46 18.084,47 7.233,48 7.233,49 21,50 1,51 1.277,52 3.124,54 9.3,55 1.165,56 3.787,57 3.787,58 121.692,59 3.629,60 4.051,61 1.984,62 1.052,63 10.059,64 2.349,66 49.644,67 1.193,68 2.275,69 2.275,70 2.91,71 10.883,72 3.111,73 1.872,74 2.907,75 102.112,76 13,77 -0.064,78 1.401,79 7.244,80 0.655,81 2.646,82 7.027,83 1.294,84 4.244,85 4.244,86 4.244,87 4.914,88 4.024,89 10.029,90 5,91 5.777,92 0.188,93 5.418,94 18.537,95 4.679,97 4,98 13.758,99 8.048,100 3.96,101 3.03,102 16.177,103 16.177,104 16.177,105 16.177,106 16.177,107 0.054,108 21.151,109 1.216,110 1.294,111 21.789,112 0.214,113 3.871,114 9.828,115 20.179,116 20.179,117 20.179,118 20.179,119 20.179,120 18.011,121 1.845,122 0.139,123 16.455,125 -4.03,126 7.437,127 4.259,128 76.82,130 1.005,131 0.098,132 -4.08,133 3.58,134 3.777,135 3.777,136 3,137 1.471,138 2.046,139 13.074,140 3.113,141 3.113,142 1.429,144 3.031,145 1.73,146 4.133,147 1.445,148 3.672,149 4.828,150 1.135,152 14.457,153 2.275,154 2.275,155 48.717,156 1.722,157 0.208,159 1.341,160 0.129,162 4.073,163 8.472,164 0.125,165 5.291,166 1.806,167 3.945,168 2.041,169 2.041,170 1,171 0.797,172 0.797,173 18.53,174 14.5,175 2.287,176 2.287,177 -0.098,178 32.842,179 -0.119,180 8.65,181 1.993,182 21.857,183 20.45,184 0.268,185 1.005,186 3.877,187 0.962,188 0.082,189 3.606,190 3.248,191 3.526,192 3.526,193 33,194 4.205,195 8.023,196 8.023,197 2,198 1.5,199 1.508,200 1,201 1,202 1,204 3.435,205 1.603,206 1.593,207 3.705,208 3.44,209 1.376,210 0.8,211 0.859,212 4.531,213 0.325,215 1.111,216 2.5,217 1.064,218 3.625,219 1.76,221 0.347,222 3.692,223 1.227,224 1.227,225 3.853,226 1.058,227 0.491,228 0.336,229 0.336,230 50.238,231 108.735,232 3.907,233 5.081,234 160,235 5.016,236 1,237 1,238 14.96,239 1.914,240 1.004,242 2.044,243 2.044,244 30,245 52.286,246 35.353,248 6.393,249 1.153,250 3.805,251 11.257,252 238.611,253 1.322,254 140,255 1.716,256 11.388,257 2.472,258 2.472,259 4.018,261 10.857,262 0.051,263 1.301,264 0.992,265 6.601,266 4.993,267 5,268 1.081,269 14,270 3.907,271 7,272 1.277,273 3.672,274 2.631,275 2.631,276 5.238,277 139.207,278 19.01,279 7.59}
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{0 CHEMBL516452,1 60.95,2 4,3 86.963,4 104.512,7 1.527,8 0.465,9 2.117,10 2.154,12 0.106,13 1.058,14 1.058,15 4,17 1.53,18 1.158,19 0.759,21 1,22 4.58,23 4.58,24 1.734,25 5,26 2.275,27 5.176,28 2,29 1.856,30 -3.32,31 1.557,32 5.415,33 10.84,34 7.429,35 1.663,36 1.603,37 -0.14,38 1,39 19,40 5.487,41 0.701,42 3.472,43 3.421,44 1,45 0.767,46 68.367,47 6.954,48 6.954,49 21,50 1,51 0.86,52 68.367,54 5.1,55 0.847,56 3.818,57 3.818,58 199.813,59 3.576,60 3.764,61 1.959,62 0.892,63 3.837,64 2.5,65 1,66 84.857,67 1.5,68 2.275,69 2.275,70 2.597,72 2.778,73 1.843,74 2.582,75 113.351,76 19,77 0.038,78 0.774,79 7.512,80 0.733,81 1.552,82 19.181,83 1.009,84 4.512,85 4.512,86 4.512,87 4.215,88 3.763,89 7.746,90 11,91 5.61,93 5.055,94 17.861,95 3.999,96 1,97 8,98 11.978,99 6.285,100 3.918,101 2.575,102 14.326,103 14.326,104 14.326,105 14.326,106 14.326,108 17.8,109 0.651,110 0.983,111 19.879,112 0.224,113 3.788,114 7.592,115 17.861,116 17.861,117 17.861,118 17.861,119 17.861,120 14.365,121 1.816,122 0.158,123 18.011,125 -3.48,126 5.113,127 4.209,128 79.9,129 1,130 0.718,131 0.108,132 -3.51,133 3.469,134 3.61,135 3.61,136 1,137 1.218,138 1.504,140 3.606,141 3.606,142 1.022,144 2.52,145 1.333,146 4.004,147 1.071,148 3.693,149 4.65,150 0.798,152 12.704,153 1.183,154 1.183,155 40.834,156 1.684,157 0.23,159 0.958,160 0.142,162 3.568,163 8.061,165 5.099,166 1.183,167 3.524,168 0.686,169 0.686,170 1,171 0.287,172 0.287,173 15.085,174 22.5,175 2.5,176 2.5,177 -0.115,178 14.257,179 0.021,180 4.363,181 1.977,182 22.709,183 21.242,185 0.748,186 3.804,187 1.034,189 3.414,190 3.7,191 3.401,192 3.401,193 29,194 4.078,195 7.705,196 7.705,197 1.996,198 1.502,199 1.503,200 0.991,201 1.016,202 1.016,203 8.119,204 3.345,205 1.545,206 1.937,207 3.269,208 3.304,209 1.007,210 0.245,211 1.653,212 4.292,215 0.94,216 2.521,217 0.779,218 3.41,219 1.758,220 39.149,221 0.371,222 3.553,223 1.381,224 1.381,225 3.833,226 1.339,227 0.62,228 -0.263,229 -0.263,230 43.654,231 98.506,232 3.992,233 4.934,234 138,235 4.945,239 1.914,240 0.329,242 1.547,243 1.547,244 26,245 44.339,246 28.597,247 1,248 6.063,249 0.817,250 3.794,251 9.534,252 129.482,253 1.02,254 92,255 1.724,256 9.716,257 2.347,258 2.347,259 3.572,261 5.058,262 0.04,263 0.533,264 1.105,265 8.108,266 4.214,267 5,268 1.002,269 23,270 4.585,271 2,273 3.686,274 2.713,275 2.713,276 4.384,277 122.211,278 19.737,279 6}
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{0 CHEMBL568237,2 1,3 32.177,4 77.19,6 20.124,7 5.487,8 0.834,9 5.335,10 -1.151,12 0.276,13 3.825,14 3.825,15 4,17 8.067,18 0.947,19 0.207,21 1,22 4.535,23 4.535,24 18.783,26 3.353,27 11.245,28 2,29 1.816,30 -4.24,31 10.736,32 5.591,33 27.316,34 8.513,35 16.1,36 13.417,37 0.232,38 1,39 18,40 11.349,41 0.81,42 3.767,43 3.438,44 1,45 0.923,46 85.925,47 7.35,48 7.35,49 18,51 1.64,52 41.045,54 4.2,55 1.302,56 3.728,57 3.728,58 142.106,59 3.733,60 3.786,61 1.71,62 0.928,63 17.964,64 1.961,65 1,66 65.392,67 0.877,68 1.859,69 1.859,70 2.691,71 17.222,72 2.936,73 1.837,74 2.692,75 64.091,76 10,77 -0.036,78 1.274,79 6.994,80 0.632,81 3.44,82 4.982,83 1.265,84 3.994,85 3.994,86 3.994,87 4.974,88 3.806,89 8.386,90 4,91 6.472,92 9.391,93 4.775,94 19.718,95 4.735,97 4,98 11.946,99 6.763,100 3.896,101 2.91,102 14.279,103 14.279,104 14.279,105 14.279,106 14.279,107 17.441,108 18.446,109 1.417,110 1.229,111 18.493,112 0.233,113 3.735,114 8.215,115 17.524,116 17.524,117 17.524,118 17.524,119 17.524,120 14.954,121 1.781,122 0.156,123 14.034,125 -4.51,126 7.999,127 4.37,128 59.39,130 0.87,131 0.116,132 -4.58,133 3.317,134 4.472,135 4.472,136 3,137 0.903,138 1.859,139 39.312,140 2.977,141 2.977,142 1.343,144 2.915,145 1.343,146 4.015,147 1.327,148 3.537,149 4.65,150 0.634,152 12.77,153 0.627,154 0.627,155 40.494,156 1.704,157 0.25,159 1.087,160 0.146,162 3.773,163 8.227,164 12.075,165 5.061,166 0.754,167 3.757,168 -0.488,169 -0.488,170 3,171 -0.219,172 -0.219,173 16.315,174 11,175 2.825,176 2.825,177 -0.227,178 24.073,179 0.056,180 8.583,181 1.992,182 21.078,183 19.746,184 6.699,185 1.078,186 3.757,187 0.953,188 14.758,189 3.382,190 2.807,191 3.401,192 3.401,193 29,194 4.078,195 9.155,196 9.155,197 2.058,198 1.195,199 1.218,200 1.045,201 1.135,202 1.135,204 3.089,205 1.531,206 1.414,207 3.743,208 3.34,209 1.428,210 -0.209,211 0.904,212 4.29,213 3.947,215 0.932,216 2.231,217 1.045,218 3.415,219 1.659,221 0.422,222 3.593,223 1.159,224 1.159,225 3.787,226 0.818,227 0.574,228 -0.802,229 -0.802,230 44.861,231 94.672,232 3.847,233 4.963,234 142,235 4.871,236 3,237 3,238 44.88,239 1.875,240 0.343,241 2,242 1.962,243 1.962,244 27,245 45.284,246 30.358,248 6.535,249 1.097,250 3.723,251 10.534,252 200.109,253 1.206,254 86,255 1.6,256 9.634,257 2.413,258 2.413,259 3.823,261 6.795,262 0.057,263 0.792,264 1.084,265 6.232,266 4.733,267 2,268 0.927,269 9,270 3.322,271 3,272 1.135,273 3.521,274 2.581,275 2.581,276 4.967,277 123.627,278 18.349,279 5.824}
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{0 CHEMBL585312,1 7.033,2 4,3 53.579,4 93.73,5 1,6 7.551,7 2.545,8 0.522,9 2.912,10 4.563,12 0.013,13 1.656,14 1.656,15 7,17 3.285,18 1.203,19 0.472,20 1.701,22 4.569,23 4.569,24 7.084,25 4,26 3.348,27 11.21,28 2,29 1.964,30 -4.24,31 4.168,32 5.342,33 36.222,34 7.431,35 6.092,36 5.115,37 -0.016,38 2,39 24,40 16.205,41 1.064,42 4.158,43 3.7,44 2,45 1.153,46 57.585,47 6.971,48 6.971,49 23,50 2,51 0.86,52 57.585,53 1,54 3.3,55 1.01,56 3.667,57 3.667,58 187.852,59 3.569,60 4.118,61 2,62 1.058,63 7.126,64 2.5,65 2,66 66.334,67 1.5,68 2.351,69 2.351,70 2.854,71 8.396,72 3.081,73 1.876,74 2.879,75 102.706,76 16,77 -0.067,78 1.466,79 7.292,80 0.68,81 2.109,82 14.024,83 1.429,84 4.292,85 4.292,86 4.292,87 5.157,88 4.067,89 10.904,90 8,91 5.565,92 3.414,93 6.393,94 18.559,95 4.935,97 7,98 14.786,99 8.767,100 3.906,101 2.591,102 17.788,103 17.788,104 17.788,105 17.788,106 17.788,107 6.531,108 23.432,109 1.532,110 1.376,111 24.156,112 0.203,113 3.836,114 10.609,115 22.292,116 22.292,117 22.292,118 22.292,119 22.292,120 19.026,121 1.852,122 0.127,123 54.535,125 -4.5,126 5.077,127 4.081,128 71.42,130 1.27,131 0.089,132 -4.58,133 3.763,134 3.565,135 3.565,136 1,137 2,138 1.902,140 3.622,141 3.622,142 1.457,144 3.026,145 1.557,146 4.227,147 1.445,148 3.687,149 4.982,150 1.49,152 15.991,153 2.275,154 2.275,155 49.459,156 1.755,157 0.19,158 1,159 1.143,160 0.116,161 1,162 4.118,163 8.794,164 4.466,165 5.317,166 1.984,167 4.044,168 2.154,169 2.154,171 1,172 1,173 19.973,174 19,175 3.219,176 3.219,177 -0.148,178 34.467,179 0.063,180 11.809,181 2.014,182 22.006,183 20.6,184 2.354,185 0.939,186 3.831,187 0.983,188 5.504,189 3.662,190 3.392,191 3.611,192 3.611,193 36,194 4.29,195 7.574,196 7.574,197 2.462,198 1.562,199 1.424,200 1.382,201 1.49,202 1.49,203 4.251,204 3.623,205 1.518,206 2.073,207 4.178,208 3.532,209 1.459,210 0.983,211 1.293,212 4.47,213 1.305,214 1,215 0.895,216 2.561,217 1.191,218 3.725,219 1.827,221 0.316,222 3.707,223 1.613,224 1.613,225 3.917,226 0.719,227 0.57,228 2.136,229 2.136,230 53.425,231 132.322,232 3.993,233 5.142,234 170,235 5.07,239 1.903,240 1.232,242 2.112,243 2.112,244 33,245 54.667,246 40.79,247 2,248 5.886,249 1.234,250 3.851,251 12.192,252 247.193,253 1.357,254 176,255 1.762,256 11.561,257 2.519,258 2.519,259 4.08,261 10.609,262 0.046,263 0.767,264 1.059,265 7.91,266 4.929,267 7,268 0.867,269 18,270 4.248,271 4,272 0.8,273 3.691,274 2.74,275 2.74,276 5.147,277 158.465,278 19.144,279 9.367}
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{0 CHEMBL61207,2 5,4 72.908,7 1.27,8 0.964,9 1.72,10 5.694,12 -0.182,13 0.86,14 0.86,15 6,17 1.022,18 0.754,19 0.522,22 4.374,23 4.374,24 0.399,25 4,26 3.045,27 9.273,28 2,29 1.709,30 -3.98,31 0.818,32 4.889,33 20.894,34 5.113,35 0.511,36 0.65,37 0.151,39 17,40 8.518,41 0.764,42 3.503,43 3.324,44 2,45 0.837,46 50.908,47 5.696,48 5.696,49 12,50 1,51 0.86,52 96.862,54 4.7,55 0.911,56 3.614,57 3.614,58 158.947,59 3.339,60 3.722,61 0.907,62 0.892,63 4.755,64 1.205,65 1,66 107.765,70 2.695,71 21.766,72 2.854,73 1.894,74 2.73,75 134.191,76 12,77 0.008,78 0.837,79 7.059,80 0.672,81 1.573,82 11.846,83 1.107,84 4.059,85 4.059,86 4.059,87 4.481,88 3.648,89 7.024,90 6,91 5.343,93 4.044,94 16.286,95 4.232,97 6,98 9.681,99 5.648,100 3.906,101 2.591,102 11.203,103 11.203,104 11.203,105 11.203,106 11.203,108 15.558,109 0.731,110 1.062,111 14.909,112 0.259,113 3.845,114 6.727,115 14.878,116 14.878,117 14.878,118 14.878,119 14.878,120 11.985,121 1.874,122 0.19,123 6.746,125 -4.21,126 4.907,127 4.011,128 56.51,130 1.093,131 0.131,132 -4.28,133 3.321,134 3.343,135 3.343,137 0.5,138 1.28,140 3.09,141 3.09,142 1.166,144 2.349,145 0.819,146 3.808,147 1.181,148 3.341,149 4.382,150 0.35,152 10.635,153 -0.536,154 -0.536,155 30.31,156 1.64,157 0.274,159 1.141,160 0.172,162 3.659,163 7.586,165 4.652,166 0.233,167 3.463,168 -1.689,169 -1.689,171 -0.704,172 -0.704,173 13.325,174 13.5,175 0.486,176 0.486,177 -0.004,178 31.708,179 -0.075,180 6.394,181 1.987,182 21.174,183 19.839,185 0.94,186 3.84,187 0.954,189 2.608,190 2.807,191 3.178,192 3.178,193 23,194 3.85,195 7.154,196 7.154,197 1.201,198 0.382,199 1.181,200 0.291,201 0.348,202 0.348,204 3.074,205 1.473,206 0.56,207 3.455,208 3.145,209 1.146,210 -0.545,211 0.746,212 3.989,215 1.063,216 1.471,217 0.821,218 3.367,219 1.49,220 45.954,221 0.417,222 2.638,223 0.509,224 0.509,225 3.599,226 0.968,227 1.085,228 -1.773,229 -1.773,230 32.685,231 93.923,232 3.877,233 4.673,234 106,235 4.595,239 1.902,242 1.436,243 1.436,244 22,245 34.477,246 28.887,248 5.786,249 0.886,250 3.524,251 8.07,252 188.338,253 1.149,254 82,255 1.423,256 7.373,257 2.116,258 2.116,259 3.589,261 7.27,262 0.036,263 0.952,264 0.819,265 5.416,266 4.502,267 6,268 1.192,269 12,270 3.7,271 3,272 0.657,273 3.352,274 2.286,275 2.286,276 4.752,277 92.107,278 18.408,279 7.549}
{0 CHEMBL621,1 16.047,3 27.473,4 54.183,6 8.02,7 2.636,8 0.465,9 2.984,10 1.969,12 0.072,13 1.708,14 1.708,15 4,17 3.44,18 0.936,19 0.207,22 4.398,23 4.398,24 7.514,26 3.525,27 12.424,28 1,29 1.889,30 -4.39,31 4.397,32 5.338,33 19.244,34 7.428,35 6.458,36 5.414,37 0.012,38 2,39 19,40 8.477,41 0.85,42 3.634,43 3.474,44 1,45 0.891,46 29.038,47 6.853,48 6.853,49 21,50 1,51 0.8,52 29.038,53 1,54 2.1,55 1.126,56 3.705,57 3.705,58 132.449,59 3.414,60 3.902,61 1.967,62 1.012,63 8.53,64 2.053,66 66.334,67 1,68 2.275,69 2.275,70 2.8,72 2.965,73 1.765,74 2.814,75 62.938,76 12,77 -0.064,78 0.956,79 6.709,80 0.671,81 2.206,82 8.031,83 1.105,84 3.709,85 3.709,86 3.709,87 4.643,88 3.856,89 8.87,90 4,91 5.87,92 3.646,93 5.05,94 17.714,95 4.393,97 4,98 11.879,99 7.134,100 3.919,101 2.714,102 14.326,103 14.326,104 14.326,105 14.326,106 14.326,107 6.94,108 18.748,109 0.877,110 1.126,111 19.879,112 0.224,113 3.756,114 8.699,115 17.861,116 17.861,117 17.861,118 17.861,119 17.861,120 15.591,121 1.725,122 0.152,123 30.342,124 1,125 -4.67,126 4.943,127 4.157,128 45.78,130 1.287,131 0.109,132 -4.75,133 3.539,134 3.87,135 3.87,136 2,137 1.012,138 1.665,140 2.794,141 2.794,142 1.203,143 1,144 2.701,145 1.3,146 4.005,147 1.22,148 3.599,149 4.65,150 0.896,151 2,152 12.704,153 1.748,154 1.748,155 40.547,156 1.681,157 0.23,159 1.164,160 0.142,161 1,162 3.802,163 8.049,164 4.755,165 5.026,166 1.046,167 3.633,168 0.211,169 0.211,170 4,171 0.085,172 0.085,173 16.459,174 12.5,175 2.446,176 2.446,177 -0.336,178 26.563,179 -0.009,180 5.935,181 1.921,182 20.332,183 19.085,184 2.542,185 1.001,186 3.778,187 0.995,188 5.853,189 3.414,190 3,191 3.401,192 3.401,193 29,194 4.078,195 6.996,196 6.996,197 2.016,198 1.25,199 1.483,200 1.012,201 1.039,202 1.039,204 3.373,205 1.527,206 1.514,207 3.532,208 3.303,209 1.199,210 0.081,211 1.088,212 4.271,213 1.494,214 1,215 1.007,216 2.464,217 0.877,218 3.495,219 1.744,221 0.37,222 3.472,223 1.163,224 1.163,225 3.81,226 1.031,227 0.498,228 -0.76,229 -0.76,230 44.275,231 105.955,232 3.9,233 4.934,234 138,235 4.864,239 1.879,240 0.43,242 1.733,243 1.733,244 26,245 44.23,246 32.194,248 6.167,249 0.947,250 3.754,251 9.624,252 235.422,253 1.131,254 90,255 1.68,256 9.715,257 2.234,258 2.234,259 3.756,261 7.156,262 0.048,263 1.6,264 0.987,265 6.147,266 4.72,267 2,268 1.002,269 10,270 3.459,271 2,272 0.8,273 3.598,274 2.451,275 2.451,276 5,277 118.211,278 17.706,279 7.699}
{0 CHEMBL623,1 4.276,3 27.473,4 65.183,6 8.245,7 2.903,8 0.62,9 3.009,10 2.77,12 0.04,13 1.733,14 1.733,15 9,17 3.655,18 0.976,19 0.333,22 4.363,23 4.363,24 7.724,26 4.236,27 17.942,28 2,29 1.927,30 -4.99,31 4.583,32 5.34,33 33.194,34 7.428,35 6.649,36 5.595,37 -0.007,38 2,39 25,40 14.681,41 1.06,42 4.098,43 3.722,44 2,45 1.12,46 29.038,47 6.964,48 6.964,49 23,50 1,51 1.283,52 29.038,53 1,54 3.1,55 1.208,56 3.627,57 3.627,58 165.655,59 3.466,60 4.137,61 2.092,62 1.111,63 11.726,64 2.5,66 85.286,67 1.5,68 2.525,69 2.525,70 2.91,71 8.825,72 3.111,73 1.874,74 2.941,75 106.515,76 14,77 -0.053,78 1.543,79 6.709,80 0.653,81 2.512,82 17.711,83 1.406,84 3.709,85 3.709,86 3.709,87 5.18,88 4.079,89 11.568,90 9,91 5.887,92 3.874,93 6.417,94 17.676,95 4.933,97 9,98 15.175,99 9.314,100 3.907,101 2.714,102 17.72,103 17.72,104 17.72,105 17.72,106 17.72,107 7.147,108 23.92,109 1.499,110 1.376,111 24.444,112 0.202,113 3.813,114 11.306,115 22.714,116 22.714,117 22.714,118 22.714,119 22.714,120 19.443,121 1.849,122 0.121,123 30.527,124 1,125 -5.34,126 4.944,127 4.157,128 55.53,130 1.64,131 0.088,132 -5.47,133 3.744,134 3.887,135 3.887,136 2,137 2,138 1.887,140 3.444,141 3.444,142 1.429,143 1,144 3.051,145 1.475,146 4.229,147 1.513,148 3.687,149 4.992,150 1.723,151 2,152 16.135,153 2.275,154 2.275,155 49.3,156 1.747,157 0.185,159 1.165,160 0.114,161 1,162 4.194,163 8.749,164 4.957,165 5.337,166 1.967,167 4.038,168 2.214,169 2.214,170 4,171 1,172 1,173 20.899,174 16,175 2.757,176 2.757,177 -0.302,178 40.773,179 -0.085,180 9.954,181 1.987,182 20.342,183 19.147,184 2.816,185 1.076,186 3.811,187 0.966,188 6.05,189 3.473,190 3.17,191 3.611,192 3.611,193 36,194 4.29,195 6.993,196 6.993,197 2.215,198 1.531,199 1.575,200 1.188,201 1.239,202 1.239,204 3.578,205 1.497,206 1.847,207 4.061,208 3.531,209 1.431,210 0.965,211 1.278,212 4.45,213 1.779,214 1,215 1.049,216 2.528,217 1.064,218 3.754,219 1.744,221 0.297,222 3.586,223 1.461,224 1.461,225 3.895,226 1.26,227 0.556,228 2.136,229 2.136,230 53.102,231 132.376,232 3.867,233 5.13,234 168,235 5.037,239 1.879,240 1.522,241 1,242 2.14,243 2.14,244 33,245 54.078,246 42.455,248 6.167,249 1.153,250 3.854,251 12.247,252 353.133,253 1.352,254 165,255 1.68,256 11.751,257 2.491,258 2.491,259 4.114,261 11.346,262 0.046,263 1.789,264 0.853,265 7.505,266 5.144,267 3,268 0.931,269 14,270 3.907,271 7,272 0.86,273 3.662,274 2.493,275 2.493,276 5.426,277 156.465,278 17.748,279 8.237}
{0 CHEMBL629,4 3.124,6 0.035,7 0.379,8 1.369,9 1.2,10 5.789,12 -0.283,13 0.8,14 0.8,15 8,17 0.239,18 0.668,19 0.522,22 4.533,23 4.533,24 0.043,26 4.761,27 22.665,29 1.899,30 -5.44,31 0.156,32 4.655,33 19.206,34 4.83,35 0.066,36 0.102,37 0.278,39 20,40 10.997,41 0.804,42 3.75,43 3.379,44 2,45 0.882,46 3.124,47 5.166,48 5.166,49 15,52 3.124,55 1.052,56 3.665,57 3.665,58 130.84,59 3.204,60 3.854,61 0.816,62 1.098,63 1.6,64 1.102,66 85.286,67 -0.223,68 -0.457,69 -0.457,70 2.588,71 16.793,72 2.853,73 1.913,74 2.618,75 108.531,76 14,77 -0.073,78 1.145,79 7.163,80 0.668,81 0.673,82 17.747,83 1.088,84 4.163,85 4.163,86 4.163,87 4.751,88 3.749,89 7.729,90 8,91 5.274,92 0.188,93 4.162,94 18.569,95 4.451,97 8,98 10.133,99 6.235,100 3.796,101 2.639,102 11.386,103 11.386,104 11.386,105 11.386,106 11.386,107 0.054,108 15.624,109 0.986,110 1.045,111 15.603,112 0.253,113 3.748,114 7.424,115 14.397,116 14.397,117 14.397,118 14.397,119 14.397,120 12.892,121 1.885,122 0.197,123 9.709,125 -5.84,126 4.642,127 4.045,128 3.24,130 1.75,131 0.139,132 -5.99,133 3.394,134 3.274,135 3.274,136 1,137 0.549,138 1.414,140 2.796,141 2.796,142 1.24,144 2.414,145 1.223,146 3.79,147 1.304,148 3.516,149 4.338,150 0.336,152 10.254,153 -0.755,154 -0.755,155 33.381,156 1.64,157 0.296,159 1.265,160 0.182,162 3.924,163 7.516,164 0.125,165 4.247,166 0.162,167 3.726,168 -2,169 -2,171 -0.838,172 -0.838,173 12.736,174 13.5,175 1.124,176 1.124,177 -0.079,178 22.244,179 -0.082,180 7.491,181 2.01,182 21.519,183 20.143,184 0.268,185 1.015,186 3.74,187 0.993,188 0.082,189 2.555,190 3,191 3.178,192 3.178,193 23,194 3.85,195 6.35,196 6.35,197 1.457,198 0.559,199 1.311,200 0.461,201 0.465,202 0.465,204 3.232,205 1.467,206 0.908,207 3.564,208 3.105,209 1.201,210 -0.838,211 1.076,212 4.122,213 0.325,215 1.078,216 1.711,217 0.824,218 3.454,219 1.658,221 0.488,222 3.056,223 0.742,224 0.742,225 3.771,226 0.882,227 1.008,228 -2.042,229 -2.042,230 34.27,231 92.331,232 3.728,233 4.691,234 108,235 4.644,239 1.959,240 -0.013,242 1.414,243 1.414,244 21,245 34.819,246 29.381,248 6.074,249 0.934,250 3.691,251 7.772,252 247.193,253 1.16,254 67,255 1.588,256 7.263,257 2.114,258 2.114,259 3.889,261 9.059,262 0.039,263 1.175,264 1.031,265 5.107,266 4.705,267 4,268 1.077,269 13,270 3.807,273 3.522,274 2.157,275 2.157,276 4.978,277 72.239,278 18.694,279 7.824}
{0 CHEMBL62919,1 15.245,2 2,3 60.128,4 74.549,6 8.974,7 3.193,8 0.562,9 3.216,10 1.612,12 0.034,13 1.821,14 1.821,15 8,16 1,17 4.041,18 0.944,19 0.375,22 4.463,23 4.463,24 8.432,25 2,26 3.337,27 11.137,28 2,29 1.955,30 -4.23,31 5.038,32 5.423,33 28.136,34 8.201,35 7.265,36 6.126,37 -0.06,38 2,39 22,40 10.675,41 0.958,42 3.926,43 3.585,44 2,45 0.985,46 39.219,47 7.106,48 7.106,49 22,50 1,51 1.277,52 24.259,53 1,54 3.9,55 0.919,56 3.787,57 3.787,58 141.933,59 3.515,60 4.025,61 1.996,62 1.069,63 10.362,64 2.408,65 1,66 75.81,67 1.267,68 2.275,69 2.275,70 2.906,72 3.065,73 1.929,74 2.899,75 104.182,76 15,77 -0.052,78 1.436,79 7.005,80 0.689,81 2.582,82 13.115,83 1.188,84 4.005,85 4.005,86 4.005,87 4.846,88 3.978,89 9.676,90 8,91 6.014,92 4.049,93 5.381,94 18.424,95 4.608,96 1,97 8,98 13.281,99 7.768,100 3.951,101 3.03,102 15.734,103 15.734,104 15.734,105 15.734,106 15.734,107 7.762,108 20.522,109 1.3,110 1.204,111 21.383,112 0.216,113 3.871,114 9.486,115 19.568,116 19.568,117 19.568,118 19.568,119 19.568,120 17.32,121 1.905,122 0.139,123 34.627,125 -4.49,126 7.429,127 4.259,128 58.1,130 1.348,131 0.1,132 -4.57,133 3.57,134 4.014,135 4.014,136 3,137 1.327,138 1.902,139 13.06,140 3.113,141 3.113,142 1.285,144 2.979,145 1.426,146 4.104,147 1.26,148 3.677,149 4.788,150 1.281,152 14.025,153 2.275,154 2.275,155 46.168,156 1.713,157 0.211,159 1.148,160 0.13,162 4.001,163 8.378,164 5.306,165 5.195,166 1.796,167 3.851,168 1.907,169 1.907,170 1,171 0.778,172 0.778,173 17.776,174 16.5,175 2.387,176 2.387,177 -0.128,178 32.849,179 0.062,180 9.25,181 2.034,182 21.183,183 19.864,184 2.769,185 0.911,186 3.872,187 0.993,188 6.541,189 3.452,190 3.322,191 3.497,192 3.497,193 32,194 4.174,195 8.133,196 8.133,197 2,198 1.5,199 1.478,200 1,201 1,202 1,204 3.425,205 1.606,206 1.575,207 3.753,208 3.408,209 1.287,210 0.782,211 1.022,212 4.445,213 1.494,214 1,215 0.928,216 2.5,217 1.016,218 3.614,219 1.795,220 45.192,221 0.341,222 3.674,223 1.172,224 1.172,225 3.862,226 1.175,227 0.488,228 0.216,229 0.216,230 48.369,231 114.819,232 3.911,233 5.043,234 154,235 4.99,236 1,237 1,238 14.96,239 1.915,240 0.799,242 2.029,243 2.029,244 29,245 49.909,246 35.125,247 1,248 6.393,249 1.058,250 3.81,251 10.822,252 215.069,253 1.184,254 131,255 1.743,256 11.071,257 2.458,258 2.458,259 3.916,261 11.123,262 0.046,263 1.437,264 1.098,265 6.945,266 4.752,267 4,268 1.072,269 15,270 4,271 5,272 1.068,273 3.678,274 2.574,275 2.574,276 4.988,277 132.881,278 18.45,279 9.705}
{0 CHEMBL631,2 1,3 30.278,4 96.839,7 2.011,8 1.853,9 2.555,10 2.258,12 -0.073,13 1.277,14 1.277,15 9,17 2.352,18 1.208,19 0.462,21 1,22 4.335,23 4.335,24 4.142,25 1,26 2.995,27 8.972,28 3,29 1.947,30 -3.94,31 2.759,32 4.955,33 24.916,34 7.427,35 3.667,36 3.203,37 -0.071,39 21,40 12.176,41 0.821,42 3.83,43 3.477,44 2,45 0.886,46 18.011,47 5.636,48 5.636,49 12,51 0.86,52 18.011,54 5.8,55 1.153,56 3.445,57 3.445,58 145.278,59 3.313,60 3.87,61 1.499,62 1.093,63 5.075,64 1.756,66 145.98,67 0.586,68 1.042,69 1.042,70 2.715,71 8.825,72 2.875,73 1.882,74 2.735,75 102.034,76 13,77 0.085,78 1.135,79 6.938,80 0.64,81 1.802,82 17.203,83 1.147,84 3.938,85 3.938,86 3.938,87 4.906,88 3.786,89 8.792,90 9,91 5.641,93 5.146,94 16.573,95 4.66,96 1,97 9,98 11.865,99 7.179,100 3.882,101 2.516,102 12.82,103 12.82,104 12.82,105 12.82,106 12.82,108 17.888,109 1.074,110 1.123,111 17.277,112 0.241,113 3.82,114 8.574,115 17.096,116 17.096,117 17.096,118 17.096,119 17.096,120 14.01,121 1.859,122 0.167,123 16.407,125 -4.17,126 6.449,127 3.897,128 58.56,130 1.286,131 0.115,132 -4.23,133 3.525,134 3.641,135 3.641,136 1,137 0.787,138 1.5,140 2.68,141 2.68,142 1.198,144 2.501,145 1.124,146 3.934,147 1.219,148 3.534,149 4.589,150 0.631,152 12.203,153 0.774,154 0.774,155 35.847,156 1.679,157 0.248,159 1.205,160 0.153,162 3.88,163 7.97,165 3.971,166 0.619,167 3.772,168 -0.589,169 -0.589,171 -0.339,172 -0.339,173 15.501,174 14,175 1.599,176 1.599,177 -0.01,178 26.585,179 -0.032,180 8.678,181 1.984,182 20.659,183 19.375,185 1.073,186 3.815,187 0.905,189 2.913,190 3,191 3.296,192 3.296,193 26,194 3.97,195 6.197,196 6.197,197 1.751,198 0.852,199 1.456,200 0.757,201 0.811,202 0.811,204 3.35,205 1.462,206 1.5,207 3.775,208 3.266,209 1.192,210 -0.322,211 1.208,212 4.132,215 1.02,216 1.882,217 0.958,218 3.526,219 1.689,221 0.382,222 3.089,223 1,224 1,225 3.795,226 1.14,227 0.768,228 -1.085,229 -1.085,230 36.958,231 100.206,232 3.812,233 4.762,234 116,235 4.691,239 1.92,240 0.4,241 1,242 1.505,243 1.505,244 25,245 37.784,246 33.267,248 5.355,249 1.003,250 3.725,251 9.304,252 270.735,253 1.209,254 123,255 1.619,256 7.785,257 2.045,258 2.045,259 3.778,261 9.193,262 0.033,263 1.24,264 0.953,265 5.695,266 4.78,267 3,268 0.942,269 13,270 3.807,271 8,272 0.4,273 3.534,274 2.09,275 2.09,276 5.016,277 112.096,278 17.936,279 6.456}
{0 CHEMBL633,1 10.285,3 30.278,4 48.776,6 0.035,7 0.938,8 1.774,9 1.72,10 4.927,12 -0.035,13 0.86,14 0.86,15 6,17 0.732,18 1.297,19 0.485,22 4.704,23 4.704,24 0.252,26 5.106,27 26.066,28 3,29 1.957,30 -5.73,31 0.57,32 5.483,33 138.483,34 7.427,35 0.334,36 0.438,37 0.093,39 25,40 22.384,41 1.064,42 4.525,43 3.705,44 2,45 1.111,46 3.124,47 6.816,48 6.816,49 15,50 2,51 0.8,52 3.124,54 5,55 0.625,56 4.106,57 4.106,58 137.896,59 3.525,60 4.217,61 2.072,62 1.156,63 3.32,64 2.322,66 56.857,67 1.292,68 2.412,69 2.412,70 2.972,71 26.476,72 3.128,73 1.867,74 3.123,75 89.783,76 15,77 0.013,78 1.562,79 7.624,80 0.735,81 1.235,82 11.675,83 1.319,84 4.624,85 4.624,86 4.624,87 5.099,88 4.069,89 10.915,90 6,91 5.673,92 0.188,93 5.71,94 19.266,95 4.907,97 6,98 13.231,99 8.711,100 3.902,101 2.753,102 16.098,103 16.098,104 16.098,105 16.098,106 16.098,107 0.054,108 22.579,109 1.676,110 1.301,111 21.383,112 0.216,113 4.004,114 10.451,115 21.077,116 21.077,117 21.077,118 21.077,119 21.077,120 18.118,121 1.855,122 0.143,123 18.513,125 -6.17,126 5.1,127 4.399,128 42.68,130 1.392,131 0.1,132 -6.34,133 3.662,134 3.673,135 3.673,136 1,137 1.571,138 1.734,140 3.37,141 3.37,142 1.583,144 2.744,145 1.299,146 4.151,147 1.626,148 3.541,149 4.869,150 1.368,151 1,152 14.994,153 1.26,154 1.26,155 44.468,156 1.739,157 0.211,159 1.209,160 0.13,162 4.409,163 8.607,164 0.125,165 5.27,166 1.463,167 4.189,168 0.791,169 0.791,171 0.533,172 0.533,173 19.061,174 16,175 2.725,176 2.725,177 -0.12,178 37.715,179 0.048,180 28.052,181 1.964,182 23.13,183 21.628,184 0.268,185 0.884,186 3.872,187 0.977,188 0.082,189 3.449,190 3.322,191 3.526,192 3.526,193 33,194 4.205,195 8.372,196 8.372,197 2.27,198 1.422,199 1.619,200 1.135,201 1.289,202 1.289,204 3.527,205 1.514,206 1.744,207 4.591,208 3.472,209 1.553,210 0.437,211 1.419,212 4.394,213 0.325,215 0.952,216 2.431,217 1.253,218 3.813,219 1.73,220 113.564,221 0.358,222 3.612,223 1.384,224 1.384,225 3.81,226 1.329,227 0.619,228 0.762,229 0.762,230 48.323,231 142.939,232 10.692,233 5.056,234 156,235 4.99,239 1.944,240 1.236,241 3,242 1.879,243 1.879,244 31,245 51.427,246 44.108,248 6.44,249 1.323,250 3.736,251 11.547,252 270.735,253 1.327,254 147,255 1.682,256 11.007,257 2.435,258 2.435,259 4.217,261 18.221,262 0.058,263 1.244,264 0.986,265 5.879,266 4.973,267 6,268 0.91,269 17,270 4.17,271 6,273 3.646,274 2.481,275 2.481,276 5.178,277 143.58,278 20.108,279 5.717}
{0 CHEMBL6385,1 4.901,2 1,4 30.91,7 0.903,8 0.781,9 1.72,10 2.298,12 -0.211,13 0.86,14 0.86,15 3,17 0.678,18 0.614,19 0.588,20 2.369,21 1,22 4.644,23 4.644,24 0.221,26 1.187,27 1.409,28 1,29 1.584,30 -2.4,31 0.512,32 4.868,33 5.661,34 4.968,35 0.293,36 0.387,37 0.077,39 12,40 2.95,41 0.042,42 2.472,43 2.988,44 1,45 0.181,46 19.91,47 5.263,48 5.263,49 13,51 0.657,52 19.91,54 3.4,55 1.135,56 3.279,57 3.279,58 87.732,59 3.018,60 3.408,61 -0.023,62 0.737,63 3.035,64 0.235,66 55.916,67 -1.276,68 -2.84,69 -2.84,70 1.922,71 10.883,72 2.158,73 1.768,74 1.945,75 61.505,76 8,77 -0.111,78 0.31,79 7.595,80 0.656,81 1.207,82 8.506,83 0.582,84 4.595,85 4.595,86 4.595,87 3.506,88 3.372,89 5.161,90 4,91 5.317,93 2.87,94 18.123,95 3.156,97 4,98 7.056,99 4.153,100 3.66,101 2.347,102 8.353,103 8.353,104 8.353,105 8.353,106 8.353,108 10.957,109 0.207,110 0.521,111 11.731,112 0.292,113 3.497,114 5.025,115 10.525,116 10.525,117 10.525,118 10.525,119 10.525,120 9.183,121 1.708,122 0.273,123 6.317,125 -2.45,126 4.61,127 3.824,128 26.19,130 0.785,131 0.189,132 -2.42,133 3.101,134 3.317,135 3.317,137 -0.5,138 0.953,140 2.745,141 2.745,142 0.937,144 1.956,145 0.221,146 3.476,147 0.99,148 3.133,149 3.859,150 -0.549,152 7.381,153 -2.954,154 -2.954,155 24.272,156 1.534,157 0.398,159 1.124,160 0.245,162 2.868,163 6.518,165 3.794,166 -0.707,167 2.718,168 -4.164,169 -4.164,171 -1.589,172 -1.589,173 9.395,174 8.5,175 -1.849,176 -1.849,177 -0.223,178 8.089,179 -0.094,180 1.926,181 1.945,182 22.88,183 21.364,185 0.984,186 3.504,187 1.029,189 2,190 2.585,191 2.89,192 2.89,193 17,194 3.555,195 6.278,196 6.278,197 0.268,198 -0.826,199 1.051,200 -0.668,201 -0.697,202 -0.697,204 2.881,205 1.53,206 -0.709,207 1.994,208 2.798,209 0.898,210 -1.414,211 0.73,212 3.797,215 1.092,216 0.662,217 0.572,218 3.007,219 1.278,221 0.654,222 2.148,223 -0.589,224 -0.589,225 3.384,226 0.912,227 0.873,228 -5.253,229 -5.253,230 25.466,231 59.661,232 3.56,233 4.419,234 82,235 4.363,239 1.911,240 -0.975,242 1,243 1,244 15,245 26.342,246 19.034,248 5.63,249 0.66,250 3.329,251 5.536,252 153.024,253 0.667,254 34,255 1.228,256 5.857,257 1.753,258 1.753,259 3.033,260 1,261 2.692,262 0.052,263 0.693,264 1.226,265 3.831,266 3.864,267 2,268 0.994,269 10,270 3.459,273 3.131,274 1.516,275 1.516,276 4.141,277 58.603,278 19.833,279 5.586}
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{0 CHEMBL71,4 6.249,6 0.068,7 5.033,8 1.447,9 5.9,10 5.91,12 -0.141,13 2.95,14 2.95,15 7,17 7.185,18 0.635,19 0.522,22 4.513,23 4.513,24 15.838,26 3.768,27 14.197,29 1.867,30 -4.59,31 9.348,32 4.953,33 22.606,34 4.945,35 13.675,36 11.511,37 0.258,39 17,40 9.543,41 0.755,42 3.713,43 3.333,44 2,45 0.813,46 6.249,47 5.782,48 5.782,49 14,50 1,51 0.8,52 6.249,55 0.899,56 3.66,57 3.66,58 108.237,59 3.179,60 3.826,61 0.624,62 0.975,63 9.1,64 1.029,66 66.334,67 -0.307,68 -0.614,69 -0.614,70 2.57,71 16.793,72 2.791,73 1.768,74 2.618,75 95.242,76 12,77 -0.085,78 0.944,79 7.107,80 0.709,81 3.012,82 14.767,83 1.021,84 4.107,85 4.107,86 4.107,87 4.515,88 3.711,89 7.172,90 7,91 6.606,92 0.346,93 4.052,94 18.911,95 4.27,97 7,98 9.172,99 5.68,100 3.763,101 2.472,102 11.386,103 11.386,104 11.386,105 11.386,106 11.386,107 0.104,108 15.332,109 0.778,110 0.976,111 15.315,112 0.256,113 3.719,114 6.798,115 14.137,116 14.137,117 14.137,118 14.137,119 14.137,120 12.596,121 1.745,122 0.196,123 6.746,125 -4.9,126 4.722,127 4.028,128 8.17,130 1.379,131 0.141,132 -5,133 3.374,134 4.606,135 4.606,137 0.349,138 1.379,140 2.778,141 2.778,142 1.084,143 1,144 2.403,145 1.207,146 3.786,147 1.121,148 3.505,149 4.322,150 0.331,152 10.148,153 -1.155,154 -1.155,155 31.504,156 1.639,157 0.297,159 1.14,160 0.181,162 3.862,163 7.51,164 0.237,165 4.656,166 0.176,167 3.673,168 -1.953,169 -1.953,171 -0.743,172 -0.743,173 12.659,174 13,175 0.486,176 0.486,177 -0.191,178 26.223,179 -0.067,180 7.294,181 1.905,182 21.34,183 19.983,184 0.479,185 0.919,186 3.709,187 0.991,188 0.158,189 2.529,190 2.807,191 3.178,192 3.178,193 23,194 3.85,195 6.719,196 6.719,197 1.058,198 0.222,199 1.269,200 0.156,201 0.195,202 0.195,204 3.158,205 1.61,206 0.81,207 3.534,208 3.105,209 1.027,210 -0.574,211 0.731,212 4.02,213 0.57,215 1.048,216 1.386,217 0.804,218 3.418,219 1.669,220 32.22,221 0.495,222 2.908,223 0.677,224 0.677,225 3.776,226 0.681,227 0.699,228 -2,229 -2,230 34.481,231 93.756,232 3.853,233 4.71,234 110,235 4.635,239 1.964,240 -0.1,242 1.43,243 1.43,244 21,245 35.334,246 28.37,248 6.006,249 0.934,250 3.695,251 7.745,252 200.109,253 1.087,254 67,255 1.593,256 7.302,257 2.134,258 2.134,259 3.77,261 8.623,262 0.042,263 1.472,264 1.093,265 5.011,266 4.579,267 5,268 0.983,269 12,270 3.7,272 0.8,273 3.509,274 2.215,275 2.215,276 4.832,277 90.239,278 18.544,279 8.415}
{0 CHEMBL715,1 1.358,2 3,3 2.328,4 41.045,6 0.858,7 1.244,8 0.517,9 1.954,10 5.884,12 -0.028,13 1.032,14 1.032,15 4,17 1.139,18 1.142,19 0.44,21 1,22 4.541,23 4.541,24 1.073,25 3,26 2.307,27 5.321,29 1.755,30 -3.35,31 1.094,32 5.08,33 22.101,34 4.924,35 1.068,36 1.073,37 0.129,39 17,40 12.132,41 0.805,42 3.832,43 3.373,44 1,45 0.868,46 41.045,47 6.156,48 6.156,49 20,51 0.8,52 41.045,55 0.975,56 3.753,57 3.753,58 127.386,59 3.548,60 3.851,61 1.058,62 0.898,63 5.507,64 1.349,66 47.381,67 0.14,68 0.3,69 0.3,70 2.683,71 17.222,72 2.849,73 1.785,74 2.7,75 68.163,76 11,77 -0.021,78 1.205,79 7.188,80 0.685,81 1.543,82 10.557,83 1.085,84 4.188,85 4.188,86 4.188,87 4.796,88 3.769,89 7.671,90 5,91 5.467,92 0.644,93 4.239,94 18.288,95 4.482,96 1,97 5,98 9.883,99 6.082,100 3.807,101 2.653,102 12.38,103 12.38,104 12.38,105 12.38,106 12.38,107 0.8,108 16.226,109 0.942,110 1.048,111 17.107,112 0.242,113 3.769,114 7.343,115 15.033,116 15.033,117 15.033,118 15.033,119 15.033,120 13.747,121 1.72,122 0.182,123 8.423,125 -3.51,126 4.58,127 4.121,128 35.16,130 1.217,131 0.128,132 -3.54,133 3.304,134 3.467,135 3.467,136 1,137 0.545,138 1.542,140 3.122,141 3.122,142 1.249,144 2.593,145 1.139,146 3.849,147 1.206,148 3.605,149 4.403,150 0.488,152 10.704,153 -0.521,154 -0.521,155 35.316,156 1.653,157 0.27,159 1.069,160 0.166,162 3.993,163 7.656,164 0.689,165 4.808,166 0.509,167 3.819,168 -1.145,169 -1.145,170 1,171 -0.427,172 -0.427,173 13.515,174 12.5,175 2.032,176 2.032,177 -0.23,178 27.212,179 0.175,180 8.568,181 1.971,182 21.663,183 20.272,184 0.612,185 0.947,186 3.736,187 1.032,188 0.743,189 2.898,190 2.907,191 3.258,192 3.258,193 25,194 3.932,195 8.162,196 8.162,197 1.632,198 1,199 1.449,200 0.646,201 0.711,202 0.711,204 3.111,205 1.516,206 1.032,207 3.535,208 3.149,209 1.241,210 -0.394,211 1.064,212 4.156,213 0.57,215 0.792,216 2,217 0.931,218 3.435,219 1.583,220 31.278,221 0.443,222 3.414,223 1,224 1,225 3.786,226 1.208,227 0.932,228 -1.777,229 -1.777,230 38.422,231 93.091,232 3.838,233 4.812,234 122,235 4.743,239 1.86,240 0.048,241 1,242 1.665,243 1.665,244 22,245 38.901,246 28.762,248 6.103,249 1.007,250 3.762,251 8.142,252 223.651,253 1.139,254 70,255 1.542,256 8.448,257 2.273,258 2.273,259 3.841,260 1,261 9.607,262 0.038,263 0.764,264 1.36,265 5.178,266 4.605,267 5,268 1.254,269 12,270 3.7,272 0.521,273 3.602,274 2.363,275 2.363,276 4.814,277 94.107,278 18.837,279 8.481}
{0 CHEMBL716,3 13.328,4 76.717,6 0.858,7 5.05,8 1.233,9 5.9,10 4.743,12 -0.196,13 2.95,14 2.95,15 8,17 7.187,18 1.065,19 0.4,21 1,22 4.501,23 4.501,24 15.838,26 2.36,27 5.568,28 2,29 1.944,30 -3.4,31 9.348,32 5.325,33 31.161,34 6.457,35 13.675,36 11.511,37 0.133,39 21,40 15.177,41 0.948,42 4.103,43 3.558,44 2,45 0.964,46 23.034,47 6.883,48 6.883,49 21,51 1.032,52 23.034,54 3.8,55 1.03,56 3.686,57 3.686,58 129.929,59 3.528,60 4.009,61 1.967,62 1.061,63 12.327,64 2.037,66 118.493,67 1.014,68 2.275,69 2.275,70 2.883,72 2.954,73 1.881,74 2.941,75 87.182,76 13,77 0.064,78 1.578,79 7.11,80 0.672,81 3.146,82 16.944,83 1.105,84 4.11,85 4.11,86 4.11,87 5.116,88 3.925,89 9.394,90 8,91 6.592,92 0.644,93 5.595,94 18.154,95 4.81,97 8,98 12.398,99 7.492,100 3.82,101 2.594,102 14.845,103 14.845,104 14.845,105 14.845,106 14.845,107 0.8,108 19.735,109 1.279,110 1.06,111 20.86,112 0.219,113 3.739,114 9.156,115 18.991,116 18.991,117 18.991,118 18.991,119 18.991,120 16.337,121 1.856,122 0.15,123 19.713,125 -3.56,126 4.901,127 4.083,128 48.83,129 1,130 1.668,131 0.106,132 -3.59,133 3.585,134 4.592,135 4.592,136 1,137 1.275,138 1.474,140 3.041,141 3.041,142 1.324,144 2.561,145 1.4,146 4.047,147 1.289,148 3.631,149 4.719,150 1.141,151 1,152 13.348,153 1.848,154 1.848,155 40.613,156 1.701,157 0.224,159 1.113,160 0.137,162 4.213,163 8.192,164 0.689,165 4.751,166 1.15,167 4.05,168 0.511,169 0.511,170 1,171 0.267,172 0.267,173 17.368,174 14.5,175 2.276,176 2.276,177 -0.195,178 35.444,179 0.12,180 10.704,181 1.962,182 21.372,183 20.019,184 0.612,185 0.983,186 3.731,187 0.971,188 0.743,189 3.414,190 3,191 3.434,192 3.434,193 30,194 4.111,195 7.923,196 7.923,197 1.998,198 1.256,199 1.459,200 0.985,201 1.068,202 1.068,204 3.355,205 1.556,206 1.708,207 3.798,208 3.34,209 1.331,210 0.233,211 0.838,212 4.26,213 0.57,215 0.841,216 2.38,217 1.064,218 3.61,219 1.755,220 32.22,221 0.366,222 3.549,223 1.291,224 1.291,225 3.813,226 0.519,227 0.924,228 0.186,229 0.186,230 43.78,231 111.573,232 3.742,233 4.949,234 140,235 4.86,239 1.886,240 0.81,241 1,242 1.67,243 1.67,244 27,245 44.879,246 34.949,248 6.102,249 1.122,250 3.781,251 9.994,252 282.506,253 1.136,254 150,255 1.689,256 9.728,257 2.334,258 2.334,259 4.076,261 13.089,262 0.025,263 1.088,264 1.247,265 6.387,266 4.916,267 4,268 1.174,269 13,270 3.807,272 0.86,273 3.623,274 2.172,275 2.172,276 5.136,277 124.382,278 18.579,279 6.925}
{0 CHEMBL71635,2 2,3 40.849,4 86.291,6 0.068,7 2.124,8 0.772,9 2.302,10 5.127,12 -0.109,13 1.151,14 1.151,15 7,17 2.171,18 0.526,19 0.375,22 4.384,23 4.384,24 2.841,25 1,26 2.151,27 4.628,28 3,29 1.91,30 -3.22,31 2.281,32 5.364,33 27.674,34 7.437,35 2.626,36 2.437,37 0.098,38 1,39 23,40 14.645,41 1.064,42 3.92,43 3.621,44 2,45 1.132,46 39.146,47 7.003,48 7.003,49 22,51 0.98,52 39.146,54 5.2,55 1.202,56 3.691,57 3.691,58 158.814,59 3.643,60 4.054,61 1.988,62 1.084,63 9.181,64 2.211,66 66.334,67 1.176,68 2.275,69 2.275,70 2.91,71 10.883,72 3.111,73 1.911,74 2.941,75 102.603,76 13,77 -0.13,78 1.297,79 7.006,80 0.643,81 2.194,82 14.049,83 1.425,84 4.006,85 4.006,86 4.006,87 5.029,88 4.005,89 10.133,90 7,91 5.522,92 0.346,93 5.428,94 17.149,95 4.787,97 7,98 13.528,99 8.129,100 3.946,101 2.727,102 15.714,103 15.714,104 15.714,105 15.714,106 15.714,107 0.104,108 21.064,109 1.272,110 1.376,111 21.671,112 0.215,113 3.847,114 9.908,115 19.886,116 19.886,117 19.886,118 19.886,119 19.886,120 17.565,121 1.878,122 0.137,123 53.087,124 1,125 -3.36,126 4.908,127 4.142,128 68.03,129 1,130 1.269,131 0.096,132 -3.38,133 3.57,134 3.522,135 3.522,136 1,137 1.595,138 1.916,140 3.265,141 3.265,142 1.429,143 1,144 2.958,145 1.4,146 4.108,147 1.513,148 3.592,149 4.8,150 0.968,152 14.135,153 2.275,154 2.275,155 45.577,156 1.712,157 0.204,159 1.295,160 0.127,162 4.025,163 8.37,164 0.237,165 5.278,166 1.557,167 3.881,168 1.394,169 1.394,171 0.606,172 0.606,173 18.343,174 14.5,175 2.393,176 2.393,177 -0.158,178 29.957,179 -0.023,180 10.211,181 2.05,182 21.097,183 19.784,184 0.479,185 1.053,186 3.851,187 0.98,188 0.158,189 3.414,190 3,191 3.497,192 3.497,193 32,194 4.174,195 8.139,196 8.139,197 2,198 1.5,199 1.473,200 1,201 1.02,202 1.02,204 3.4,205 1.518,206 1.559,207 3.934,208 3.407,209 1.436,210 0.57,211 0.574,212 4.41,213 0.57,215 1.032,216 2.5,217 1.073,218 3.648,219 1.724,221 0.322,222 3.446,223 1.182,224 1.182,225 3.809,226 0.804,227 0.712,228 0.763,229 0.763,230 47.782,231 115.081,232 3.883,233 5.03,234 152,235 4.934,239 1.966,240 0.78,242 1.99,243 1.99,244 29,245 48.811,246 37.279,247 1,248 6.149,249 1.153,250 3.754,251 10.753,252 270.735,253 1.361,254 144,255 1.663,256 10.752,257 2.501,258 2.501,259 4.034,261 9.142,262 0.027,263 0.906,264 0.947,265 6.719,266 5.016,267 5,268 0.876,269 13,270 3.807,271 2,272 0.86,273 3.586,274 2.502,275 2.502,276 5.306,277 132.881,278 18.369,279 6.606}
{0 CHEMBL71707,1 13.915,2 8,3 72.533,4 105.749,6 0.035,7 1.379,8 0.48,9 2.117,10 3.575,12 0.028,13 1.058,14 1.058,15 6,17 1.406,18 0.743,19 0.372,22 4.587,23 4.587,24 1.698,25 8,26 4.744,27 22.51,28 2,29 1.976,30 -5.42,31 1.462,32 5.732,33 48.844,34 7.43,35 1.613,36 1.533,37 -0.111,38 1,39 31,40 23.712,41 1.196,42 4.466,43 3.931,44 2,45 1.263,46 37.921,47 7.752,48 7.752,49 28,50 2,51 0.8,52 37.921,54 2.7,55 0.923,56 3.89,57 3.89,58 167.954,59 3.753,60 4.455,61 2.488,62 1.255,63 3.717,64 2.855,66 84.857,67 1.948,68 4.484,69 4.484,70 3.026,72 3.212,73 1.919,74 3.029,75 88.699,76 17,77 -0.032,78 2.272,79 7.518,80 0.679,81 1.435,82 13.164,83 1.482,84 4.518,85 4.518,86 4.518,87 5.506,88 4.371,89 13.887,90 7,91 5.476,92 0.188,93 7.162,94 18.277,95 5.221,97 6,98 17.489,99 11.096,100 3.982,101 2.919,102 21.241,103 21.241,104 21.241,105 21.241,106 21.241,107 0.054,108 27.984,109 1.961,110 1.46,111 29.244,112 0.185,113 3.902,114 13.565,115 25.789,116 25.789,117 25.789,118 25.789,119 25.789,120 24.924,121 1.898,122 0.107,123 40.393,125 -5.83,126 6.471,127 4.228,128 68.36,130 1.456,131 0.075,132 -5.97,133 3.847,134 3.476,135 3.476,136 1,137 2.376,138 2.296,140 3.204,141 3.204,142 1.623,144 3.332,145 1.962,146 4.383,147 1.586,148 3.839,149 5.187,150 2.189,152 18.424,153 3.525,154 3.525,155 62.208,156 1.78,157 0.157,159 1.431,160 0.098,162 4.525,163 9.144,164 0.125,165 5.552,166 2.164,167 4.373,168 3.259,169 3.259,171 1.2,172 1.2,173 23.543,174 17.5,175 5.262,176 5.262,177 0.001,178 55.462,179 0.128,180 16.786,181 2.03,182 22.728,183 21.254,184 0.268,185 0.912,186 3.894,187 0.986,188 0.082,189 4.615,190 3.459,191 3.784,192 3.784,193 43,194 4.466,195 8.325,196 8.325,197 2.861,198 1.96,199 1.738,200 1.84,201 1.879,202 1.879,204 3.725,205 1.559,206 2.085,207 4.324,208 3.667,209 1.632,210 1.154,211 0.816,212 4.752,213 0.325,215 0.853,216 2.879,217 1.377,218 3.981,219 1.893,221 0.258,222 4.739,223 1.902,224 1.902,225 3.954,226 0.683,227 0.647,228 2.903,229 2.903,230 65.944,231 155.05,232 4.095,233 5.352,234 210,235 5.268,239 1.932,240 2,242 2.35,243 2.35,244 38,245 66.72,246 49.586,247 1,248 6.537,249 1.432,250 3.928,251 14.149,252 223.651,253 1.513,254 226,255 1.85,256 14.749,257 2.684,258 2.684,259 4.38,261 19.477,262 0.035,263 0.7,264 0.969,265 7.171,266 5.324,267 5,268 1.104,269 18,270 4.248,271 11,273 3.843,274 3.037,275 3.037,276 5.564,277 189.421,278 19.752,279 4.7}
{0 CHEMBL71724,3 11,4 28.248,6 0.068,7 1.875,8 0.542,9 2.302,10 5.068,12 -0.194,13 1.151,14 1.151,15 8,17 1.945,18 0.529,19 0.414,22 4.307,23 4.307,24 2.749,26 2.902,27 8.421,28 2,29 1.91,30 -3.86,31 2.091,32 5.281,33 23.366,34 4.875,35 2.506,36 2.283,37 0.077,39 22,40 13.274,41 0.904,42 3.793,43 3.549,44 2,45 0.975,46 6.249,47 6.713,48 6.713,49 22,51 0.86,52 6.249,54 3.7,55 1.237,56 3.691,57 3.691,58 127.503,59 3.446,60 3.991,61 1.967,62 1.081,63 7.222,64 2,66 75.81,67 1,68 2.275,69 2.275,70 2.799,71 10.883,72 2.994,73 1.91,74 2.806,75 104.189,76 12,77 -0.123,78 1.127,79 6.87,80 0.645,81 1.953,82 17.148,83 1.23,84 3.87,85 3.87,86 3.87,87 4.875,88 3.927,89 9.503,90 8,91 5.392,92 0.346,93 5.075,94 16.977,95 4.633,97 8,98 12.334,99 7.624,100 3.941,101 2.726,102 14.263,103 14.263,104 14.263,105 14.263,106 14.263,107 0.104,108 19.344,109 1.128,110 1.215,111 20.167,112 0.223,113 3.845,114 9.284,115 18.231,116 18.231,117 18.231,118 18.231,119 18.231,120 16.189,121 1.878,122 0.149,123 20.19,124 1,125 -4.08,126 4.799,127 4.142,128 24.94,130 1.481,131 0.105,132 -4.13,133 3.492,134 3.392,135 3.392,137 0.957,138 1.573,140 2.942,141 2.942,142 1.429,143 1,144 2.592,145 1.213,146 4.01,147 1.513,148 3.587,149 4.663,150 0.782,152 12.831,153 1.341,154 1.341,155 40.564,156 1.683,157 0.224,159 1.29,160 0.138,162 3.904,163 8.054,164 0.237,165 5.166,166 1.354,167 3.73,168 0.761,169 0.761,171 0.471,172 0.471,173 16.805,174 13,175 2.275,176 2.275,177 -0.238,178 24.61,179 -0.035,180 9.295,181 2.048,182 20.68,183 19.413,184 0.479,185 1.09,186 3.849,187 0.982,188 0.158,189 3.409,190 2.807,191 3.401,192 3.401,193 29,194 4.078,195 7.016,196 7.016,197 1.986,198 1.173,199 1.423,200 0.979,201 1,202 1,204 3.33,205 1.482,206 1.5,207 3.837,208 3.303,209 1.376,210 0.414,211 0.701,212 4.275,213 0.57,215 1.02,216 2.205,217 1.064,218 3.59,219 1.721,221 0.352,222 3.414,223 1.021,224 1.021,225 3.805,226 0.951,227 0.835,228 -0.387,229 -0.387,230 42.785,231 106.501,232 3.878,233 4.92,234 136,235 4.812,239 1.951,240 0.493,242 1.618,243 1.618,244 26,245 43.483,246 34.819,248 6.149,249 1.153,250 3.75,251 9.65,252 282.506,253 1.25,254 116,255 1.659,256 9.696,257 2.32,258 2.32,259 3.912,261 8.156,262 0.023,263 0.999,264 0.922,265 5.954,266 4.908,267 4,268 0.816,269 12,270 3.7,271 2,272 0.8,273 3.582,274 2.367,275 2.367,276 5.215,277 114.211,278 17.996,279 7.119}
{0 CHEMBL71798,2 2,3 40.849,4 71.404,6 0.068,7 2.201,8 0.92,9 2.302,10 5.369,12 -0.122,13 1.151,14 1.151,15 7,17 2.283,18 0.536,19 0.364,22 4.389,23 4.389,24 2.998,25 1,26 2.362,27 5.581,28 3,29 1.911,30 -3.4,31 2.419,32 5.365,33 30.212,34 7.429,35 2.785,36 2.59,37 0.146,38 1,39 24,40 16.23,41 1.064,42 4.004,43 3.657,44 2,45 1.153,46 24.259,47 7.007,48 7.007,49 22,51 1.058,52 24.259,54 4.9,55 1.254,56 3.691,57 3.691,58 152.324,59 3.682,60 4.088,61 1.993,62 1.084,63 9.338,64 2.213,66 66.334,67 1.181,68 2.275,69 2.275,70 2.91,71 19.279,72 3.111,73 1.911,74 2.941,75 110.999,76 13,77 -0.105,78 1.394,79 7.01,80 0.64,81 2.229,82 14.322,83 1.429,84 4.01,85 4.01,86 4.01,87 5.122,88 4.036,89 10.579,90 7,91 5.565,92 0.346,93 5.582,94 17.165,95 4.877,97 7,98 14.026,99 8.491,100 3.946,101 2.727,102 16.135,103 16.135,104 16.135,105 16.135,106 16.135,107 0.104,108 21.903,109 1.39,110 1.376,111 22.364,112 0.211,113 3.847,114 10.305,115 20.756,116 20.756,117 20.756,118 20.756,119 20.756,120 18.115,121 1.878,122 0.133,123 38.201,124 1,125 -3.56,126 4.874,127 4.142,128 54.04,129 1,130 1.252,131 0.093,132 -3.59,133 3.598,134 3.565,135 3.565,136 1,137 1.597,138 1.926,140 3.294,141 3.294,142 1.518,143 1,144 2.973,145 1.412,146 4.141,147 1.564,148 3.593,149 4.851,150 1.47,152 14.673,153 2.275,154 2.275,155 46.381,156 1.721,157 0.198,159 1.295,160 0.123,162 4.105,163 8.468,164 0.237,165 5.279,166 1.567,167 3.954,168 1.409,169 1.409,171 0.616,172 0.616,173 19.266,174 14.5,175 2.396,176 2.396,177 -0.236,178 31.842,179 -0.057,180 11.273,181 2.05,182 21.112,183 19.798,184 0.479,185 1.092,186 3.851,187 0.971,188 0.158,189 3.414,190 3,191 3.526,192 3.526,193 33,194 4.205,195 8.455,196 8.455,197 2,198 1.5,199 1.488,200 1,201 1.033,202 1.033,204 3.418,205 1.521,206 1.617,207 4.023,208 3.44,209 1.493,210 0.581,211 0.602,212 4.429,213 0.57,215 1.067,216 2.5,217 1.114,218 3.687,219 1.724,221 0.312,222 3.446,223 1.326,224 1.326,225 3.809,226 1.189,227 0.615,228 0.764,229 0.764,230 48.752,231 119.978,232 3.884,233 5.056,234 156,235 4.956,239 1.966,240 1.185,242 2.008,243 2.008,244 30,245 50.334,246 39.04,247 1,248 6.149,249 1.188,250 3.755,251 11.136,252 306.049,253 1.513,254 154,255 1.663,256 11.258,257 2.504,258 2.504,259 4.094,261 9.989,262 0.026,263 0.859,264 0.98,265 6.916,266 5.088,267 5,268 0.876,269 13,270 3.807,271 2,272 0.86,273 3.587,274 2.504,275 2.504,276 5.38,277 139.207,278 18.383,279 6.232}
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{0 CHEMBL72,4 21.135,6 0.035,7 0.413,8 1.297,9 1.2,10 5.698,12 -0.133,13 0.8,14 0.8,15 8,17 0.246,18 0.712,19 0.545,22 4.455,23 4.455,24 0.043,25 1,26 3.644,27 13.278,29 1.891,30 -4.49,31 0.157,32 4.247,33 16.629,34 4.817,35 0.067,36 0.102,37 0.028,39 18,40 9.143,41 0.73,42 3.639,43 3.315,44 2,45 0.794,46 21.135,47 3.625,48 3.625,49 15,51 0.4,52 21.135,55 1.081,56 3.665,57 3.665,58 129.041,59 3.129,60 3.773,61 0.804,62 1.095,63 2.4,64 1.102,66 93.821,67 -0.223,68 -0.457,69 -0.457,70 2.588,71 8.396,72 2.701,73 1.913,74 2.604,75 96.091,76 12,77 0.005,78 1.047,79 7.02,80 0.658,81 0.824,82 17.67,83 1.018,84 4.02,85 4.02,86 4.02,87 4.635,88 3.675,89 7.425,90 8,91 5.427,92 0.188,93 4.135,94 18.569,95 4.303,96 1,97 8,98 9.714,99 6.025,100 3.796,101 2.621,102 10.868,103 10.868,104 10.868,105 10.868,106 10.868,107 0.054,108 14.884,109 0.789,110 0.972,111 15.197,112 0.257,113 3.748,114 7.215,115 14.113,116 14.113,117 14.113,118 14.113,119 14.113,120 12.292,121 1.885,122 0.203,123 11.815,125 -4.78,126 4.642,127 4.045,128 15.27,130 1.542,131 0.145,132 -4.87,133 3.35,134 3.427,135 3.427,137 0.547,138 1.414,140 2.488,141 2.488,142 1.088,143 1,144 2.414,145 0.952,146 3.748,147 1.16,148 3.467,149 4.283,150 0.295,152 9.898,153 -0.709,154 -0.709,155 31.109,156 1.627,157 0.309,159 1.264,160 0.189,162 3.906,163 7.378,164 0.125,165 3.956,166 0.155,167 3.692,168 -1.961,169 -1.961,171 -0.838,172 -0.838,173 12.659,174 12.5,175 0.666,176 0.666,177 -0.102,178 21.361,179 -0.129,180 6.058,181 2.01,182 21.071,183 19.746,184 0.268,185 1.025,186 3.74,187 0.998,188 0.082,189 2.555,190 2.807,191 3.135,192 3.135,193 22,194 3.807,195 6.347,196 6.347,197 1.311,198 0.382,199 1.311,200 0.334,201 0.347,202 0.347,204 3.211,205 1.447,206 0.805,207 3.279,208 3.06,209 1.046,210 -0.83,211 0.925,212 4.03,213 0.325,215 1.136,216 1.469,217 0.824,218 3.38,219 1.634,221 0.51,222 2.69,223 0.691,224 0.691,225 3.738,226 1.07,227 0.966,228 -2.042,229 -2.042,230 31.905,231 85.311,232 3.728,233 4.635,234 102,235 4.564,239 1.905,240 -0.024,242 1.414,243 1.414,244 20,245 32.928,246 27.625,248 6.074,249 0.882,250 3.655,251 7.403,252 223.651,253 1.094,254 70,255 1.559,256 7.085,257 1.664,258 1.664,259 3.878,260 1,261 8.414,262 0.037,263 1.373,264 1.057,265 4.818,266 4.762,267 4,268 1.03,269 12,270 3.7,273 3.475,274 2.03,275 2.03,276 5.057,277 72.439,278 18.314,279 6.796}
{0 CHEMBL723,1 4.288,2 3,4 110.479,7 1.466,8 0.588,9 1.72,10 2.179,12 -0.171,13 0.86,14 0.86,15 11,17 1.234,18 1.306,19 0.636,21 2,22 4.759,23 4.759,24 0.546,25 4,26 2.195,27 4.819,28 4,29 1.969,30 -3.26,31 1.028,32 5.209,33 25.312,34 6.449,35 0.684,36 0.845,37 -0.028,39 24,40 12.152,41 0.992,42 3.863,43 3.629,44 3,45 1.032,46 34.796,47 6.286,48 6.286,49 19,51 0.86,52 34.796,54 7.1,55 1.086,56 3.8,57 3.8,58 188.479,59 3.454,60 4.002,61 2.135,62 1.055,63 5.96,64 2.575,66 164.933,67 1.583,68 2.629,69 2.629,70 2.901,71 10.883,72 3.054,73 1.868,74 2.9,75 140.286,76 18,77 0.113,78 1.307,79 7.858,80 0.66,81 1.751,82 21.58,83 1.276,84 4.858,85 4.858,86 4.858,87 4.932,88 3.975,89 9.862,90 11,91 5.341,93 5.966,94 18.894,95 4.679,96 2,97 11,98 14.144,99 7.997,100 3.911,101 2.654,102 16.274,103 16.274,104 16.274,105 16.274,106 16.274,108 21.316,109 1.167,110 1.268,111 22.652,112 0.21,113 3.816,114 9.661,115 20.905,116 20.905,117 20.905,118 20.905,119 20.905,120 17.226,121 1.85,122 0.144,123 13.396,125 -3.41,126 5.065,127 4.192,128 75.74,129 1,130 1.485,131 0.099,132 -3.43,133 3.662,134 3.341,135 3.341,137 1.685,138 1.6,140 3.551,141 3.551,142 1.385,144 2.679,145 1.438,146 4.142,147 1.351,148 3.622,149 4.862,150 1.535,152 14.758,153 1.94,154 1.94,155 45.684,156 1.72,157 0.21,159 1.156,160 0.129,162 3.99,163 8.469,165 5.014,166 1.518,167 3.863,168 1.4,169 1.4,171 0.615,172 0.615,173 18.472,174 19.5,175 2.992,176 2.992,177 -0.052,178 30.27,179 -0.128,180 8.623,181 1.992,182 23.742,183 22.178,185 0.952,186 3.821,187 0.964,189 3.581,190 3.524,191 3.526,192 3.526,193 33,194 4.205,195 7.839,196 7.839,197 2.366,198 1.689,199 1.583,200 1.341,201 1.404,202 1.404,204 3.498,205 1.489,206 2.074,207 3.769,208 3.439,209 1.389,210 0.549,211 1.231,212 4.393,215 1.102,216 2.634,217 1.091,218 3.64,219 1.863,221 0.356,222 3.6,223 1.433,224 1.433,225 3.778,226 0.942,227 0.99,228 0.846,229 0.846,230 48.246,231 115.638,232 3.854,233 5.043,234 154,235 4.999,239 1.971,240 1.222,242 1.773,243 1.773,244 30,245 49.431,246 36.966,248 6.129,249 1.153,250 3.73,251 11.087,252 270.735,253 1.291,254 128,255 1.829,256 10.699,257 2.329,258 2.329,259 3.941,261 10.112,262 0.044,263 1.284,264 0.946,265 8.075,266 4.891,267 3,268 1.116,269 21,270 4.459,272 0.86,273 3.626,274 2.393,275 2.393,276 5.127,277 145.207,278 20.6,279 6.66}
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{0 CHEMBL72611,2 2,4 18.011,7 0.391,9 1.36,10 6.208,12 -0.149,13 0.68,14 0.68,15 8,17 0.187,18 1.084,19 0.545,22 4.815,23 4.815,24 0.009,25 2,26 3.989,27 15.91,29 1.742,30 -4.78,31 0.089,32 4.48,33 4.037,34 4.811,35 0.019,36 0.042,37 0.098,39 18,40 2.517,41 0.692,42 2.934,43 3.313,44 2,45 0.764,46 18.011,47 3.875,48 3.875,49 20,51 0.4,52 18.011,55 0.921,56 3.665,57 3.665,58 118.378,59 3.463,60 3.847,61 0.816,62 0.995,63 2.16,64 1.102,66 93.821,67 -0.223,68 -0.463,69 -0.463,70 2.568,72 2.701,73 1.913,74 2.594,75 88.552,76 12,77 -0.024,78 0.687,79 7.242,80 0.68,81 0.809,82 18.118,83 0.996,84 4.242,85 4.242,86 4.242,87 3.303,88 3.752,89 7.252,90 8,91 6.002,93 3.677,94 24.026,95 2.9,97 8,98 9.328,99 5.814,100 3.796,101 2.639,102 10.863,103 10.863,104 10.863,105 10.863,106 10.863,108 14.365,109 0.184,110 0.953,111 15.485,112 0.254,113 3.748,114 7.078,115 13.43,116 13.43,117 13.43,118 13.43,119 13.43,120 12.868,121 1.885,122 0.219,123 11.815,125 -5.11,126 4.642,127 4.045,128 12.03,130 1.684,131 0.167,132 -5.22,133 3.343,134 4.002,135 4.002,137 0.543,138 1.414,140 2.939,141 2.939,142 1.018,144 2.414,145 0.877,146 3.718,147 1.094,148 3.532,149 4.209,150 -0.107,152 9.401,153 -1.53,154 -1.53,155 33.101,156 1.617,157 0.365,159 1.277,160 0.212,162 3.77,163 7.262,165 4.395,166 0.162,167 3.48,168 -2.058,169 -2.058,171 -0.838,172 -0.838,173 12.003,174 12,175 1.42,176 1.42,177 0.071,178 14.568,179 -0.28,180 1.743,181 2.01,182 21.775,183 20.372,185 0.908,186 3.74,187 1.032,189 2.912,190 2.807,191 3.135,192 3.135,193 22,194 3.807,195 7.622,196 7.622,197 1.58,198 0.618,199 1.311,200 0.592,201 0.6,202 0.6,204 3.21,205 1.513,206 0.698,207 1.643,208 3.015,209 0.972,210 -0.838,211 1.101,212 4.162,215 1.245,216 1.618,217 0.73,218 3.379,219 1.476,221 0.706,222 3.139,223 0.618,224 0.618,225 3.75,226 0.932,227 0.948,228 -2.161,229 -2.161,230 33.385,231 79.574,232 3.728,233 4.691,234 108,235 4.625,239 1.963,240 -0.34,242 1.414,243 1.414,244 19,245 34.519,246 25.858,248 6.233,249 0.794,250 3.682,251 7.065,252 188.338,253 1.067,254 36,255 1.413,256 7.738,257 1.618,258 1.618,259 3.963,260 1,261 6.131,262 0.042,263 0.781,264 0.672,265 4.315,266 4.811,267 4,268 0.979,269 12,270 3.7,273 3.537,274 2.03,275 2.03,276 5.147,277 66.711,278 18.913,279 6.959}
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{0 CHEMBL83220,3 41.068,4 45.227,6 20.582,7 5.793,8 1.331,9 6.174,10 4.321,12 0.3,13 3.944,14 3.944,15 8,17 8.332,18 1.167,19 0.4,22 4.495,23 4.495,24 19.211,26 3.663,27 13.419,28 2,29 1.857,30 -4.5,31 11.01,32 5.83,33 21.168,34 8.516,35 16.47,36 13.733,37 0.24,38 1,39 20,40 9.368,41 0.783,42 3.773,43 3.488,44 2,45 0.845,46 53.743,47 8.178,48 8.178,49 18,51 2.43,52 8.863,54 4.3,55 1.086,56 3.698,57 3.698,58 125.022,59 3.698,60 3.893,61 1.769,62 1.077,63 19.065,64 2.1,66 75.81,67 0.881,68 2.163,69 2.163,70 2.718,71 8.396,72 2.856,73 1.88,74 2.726,75 106.963,76 13,77 0.238,78 1.478,79 7.018,80 0.66,81 3.687,82 15.926,83 1.076,84 4.018,85 4.018,86 4.018,87 4.736,88 3.898,89 8.61,90 8,91 6.593,92 9.617,93 4.844,94 19.252,95 4.486,97 8,98 12.182,99 6.913,100 3.797,101 2.91,102 14.816,103 14.816,104 14.816,105 14.816,106 14.816,107 17.839,108 18.7,109 1.203,110 1.042,111 19.592,112 0.226,113 3.746,114 8.464,115 17.764,116 17.764,117 17.764,118 17.764,119 17.764,120 16.008,121 1.852,122 0.15,123 10.299,124 1,125 -4.8,126 7.999,127 4.434,128 32.78,130 1.136,131 0.112,132 -4.89,133 3.595,134 4.593,135 4.593,136 1,137 0.926,138 1.671,139 38.024,140 3.577,141 3.577,142 1.381,144 2.775,145 1.522,146 4.034,147 1.221,148 3.594,149 4.66,150 0.693,151 1,152 12.842,153 1.701,154 1.701,155 43.935,156 1.706,157 0.239,159 1.213,160 0.142,161 1,162 3.981,163 8.233,164 12.355,165 5.474,166 1.12,167 3.884,168 0.321,169 0.321,170 1,171 0.124,172 0.124,173 16.219,174 14,175 2.703,176 2.703,177 -0.067,178 26.759,179 -0.054,180 7.414,181 1.98,182 21.229,183 19.911,184 6.871,185 0.961,186 3.739,187 0.99,188 15.096,189 3.593,190 3,191 3.434,192 3.434,193 30,194 4.111,195 9.271,196 9.271,197 2.043,198 1.397,199 1.365,200 1.039,201 1.054,202 1.054,204 3.383,205 1.603,206 1.861,207 3.577,208 3.341,209 1.352,210 0.123,211 1.029,212 4.411,213 4.042,215 1.041,216 2.436,217 0.973,218 3.481,219 1.66,221 0.392,222 3.657,223 1.305,224 1.305,225 3.82,226 0.542,227 0.546,228 -0.893,229 -0.893,230 47.16,231 95.935,232 3.738,233 5.017,234 150,235 4.934,236 3,237 3,238 44.88,239 1.937,240 0.551,241 1,242 1.851,243 1.851,244 27,245 47.849,246 30.347,248 6.905,249 1.055,250 3.778,251 10.79,252 200.109,253 1.124,254 81,255 1.607,256 10.327,257 2.629,258 2.629,259 4.075,261 9.149,262 0.048,263 0.875,264 1.048,265 6.478,266 4.873,267 4,268 1.103,269 13,270 3.807,272 1.56,273 3.575,274 2.395,275 2.395,276 5.107,277 123.627,278 18.504,279 6}
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{0 CHEMBL92416,1 18.03,2 5,4 19.91,6 0.035,7 0.379,8 1.413,9 1.2,10 4.074,12 -0.122,13 0.8,14 0.8,15 4,17 0.239,18 0.845,19 0.682,22 4.669,23 4.669,24 0.043,25 3,26 3.406,27 11.603,29 1.774,30 -4.29,31 0.156,32 4.957,33 23.341,34 4.971,35 0.066,36 0.102,37 0.136,39 17,40 11.076,41 0.818,42 3.749,43 3.309,44 1,45 0.889,46 19.91,47 5.678,48 5.678,49 14,52 19.91,55 0.923,56 3.619,57 3.619,58 120.402,59 3.269,60 3.788,61 1.077,62 0.968,63 1.6,64 1.195,65 1,66 64.507,67 0.115,68 0.165,69 0.165,70 2.416,71 17.222,72 2.515,73 1.736,74 2.432,75 84.921,76 12,77 -0.045,78 1.071,79 7.608,80 0.688,81 0.673,82 15.072,83 1.093,84 4.608,85 4.608,86 4.608,87 4.665,88 3.671,89 7.137,90 7,91 5.318,92 0.188,93 3.88,94 18.798,95 4.381,97 6,98 9.122,99 5.692,100 3.789,101 2.427,102 10.813,103 10.813,104 10.813,105 10.813,106 10.813,107 0.054,108 14.765,109 0.938,110 1.05,111 14.909,112 0.259,113 3.828,114 6.801,115 13.853,116 13.853,117 13.853,118 13.853,119 13.853,120 12.148,121 1.692,122 0.212,123 6.746,125 -4.56,126 4.633,127 4.008,128 19.03,130 0.925,131 0.148,132 -4.64,133 3.404,134 3.318,135 3.318,137 0.31,138 1.34,140 2.827,141 2.827,142 1.208,144 2.349,145 0.679,146 3.738,147 1.155,148 3.501,149 4.266,150 -0.008,152 9.792,153 -1.445,154 -1.445,155 30.796,156 1.625,157 0.312,159 1.099,160 0.192,162 3.846,163 7.369,164 0.125,165 4.537,166 0.161,167 3.659,168 -2.064,169 -2.064,171 -0.829,172 -0.829,173 12.137,174 12,175 1.002,176 1.002,177 -0.074,178 22.386,179 0.131,180 8.676,181 1.932,182 22.94,183 21.427,184 0.268,185 0.946,186 3.753,187 1.01,188 0.082,189 2.481,190 3.087,191 3.135,192 3.135,193 22,194 3.807,195 6.211,196 6.211,197 1.453,198 0.586,199 1.399,200 0.474,201 0.493,202 0.493,204 3.276,205 1.473,206 0.927,207 3.545,208 3.059,209 1.143,210 -0.819,211 0.844,212 4.016,213 0.325,215 0.845,216 1.705,217 0.973,218 3.398,219 1.594,220 31.278,221 0.52,222 3,223 0.618,224 0.618,225 3.779,226 1.016,227 1.048,228 -2.765,229 -2.765,230 32.772,231 89.038,232 4.003,233 4.654,234 104,235 4.623,239 1.918,240 -0.293,241 1,242 1.364,243 1.364,244 20,245 33.692,246 27.512,248 5.989,249 1.029,250 3.696,251 7.391,252 164.795,253 1.122,254 64,255 1.53,256 7.338,257 1.98,258 1.98,259 3.704,261 8.419,262 0.046,263 1.331,264 1.183,265 4.625,266 4.488,267 3,268 1.068,269 15,270 4,271 2,273 3.503,274 2.302,275 2.302,276 4.721,277 84.439,278 19.898,279 8.77}
{0 CHEMBL92417,1 22.121,2 4,4 29.417,6 0.035,7 0.379,8 1.413,9 1.2,10 3.368,12 -0.092,13 0.8,14 0.8,15 4,17 0.239,18 0.902,19 0.682,21 1,22 4.669,23 4.669,24 0.043,25 3,26 2.571,27 6.608,28 1,29 1.779,30 -3.57,31 0.156,32 4.957,33 18.993,34 5.122,35 0.066,36 0.102,37 0.076,39 17,40 9.966,41 0.818,42 3.669,43 3.274,44 1,45 0.888,46 19.91,47 5.678,48 5.678,49 14,52 19.91,54 2.5,55 1.124,56 3.619,57 3.619,58 128.583,59 3.271,60 3.693,61 1.077,62 0.959,63 1.6,64 1.195,65 1,66 68.597,67 0.115,68 0.165,69 0.165,70 2.416,71 17.222,72 2.515,73 1.733,74 2.429,75 93.102,76 12,77 0.018,78 1.006,79 7.608,80 0.658,81 0.673,82 14.125,83 1.096,84 4.608,85 4.608,86 4.608,87 4.684,88 3.631,89 7.03,90 7,91 5.318,92 0.188,93 3.88,94 18.798,95 4.398,97 6,98 9.478,99 5.692,100 3.821,101 2.575,102 10.813,103 10.813,104 10.813,105 10.813,106 10.813,107 0.054,108 14.561,109 0.839,110 1.061,111 14.909,112 0.259,113 3.683,114 6.801,115 13.853,116 13.853,117 13.853,118 13.853,119 13.853,120 11.846,121 1.686,122 0.212,123 6.746,125 -3.76,126 4.879,127 4.008,128 32.17,130 0.925,131 0.148,132 -3.8,133 3.406,134 3.318,135 3.318,137 0.31,138 1.358,140 2.827,141 2.827,142 1.261,144 2.36,145 0.716,146 3.738,147 1.208,148 3.5,149 4.266,150 -0.008,151 1,152 9.792,153 -1.445,154 -1.445,155 31.691,156 1.625,157 0.312,159 1.099,160 0.192,162 3.734,163 7.369,164 0.125,165 4.537,166 0.161,167 3.612,168 -2.064,169 -2.064,171 -0.829,172 -0.829,173 12.137,174 12,175 1.002,176 1.002,177 -0.161,178 20.117,179 0.12,180 6.944,181 1.934,182 22.94,183 21.427,184 0.268,185 1.014,186 3.699,187 1,188 0.082,189 2.481,190 3.087,191 3.135,192 3.135,193 22,194 3.807,195 6.211,196 6.211,197 1.463,198 0.586,199 1.381,200 0.477,201 0.493,202 0.493,204 3.273,205 1.473,206 0.927,207 3.439,208 3.059,209 1.282,210 -0.82,211 0.859,212 4.065,213 0.325,215 0.855,216 1.705,217 0.96,218 3.314,219 1.591,221 0.52,222 3,223 0.618,224 0.618,225 3.78,226 0.941,227 0.916,228 -2.765,229 -2.765,230 32.772,231 82.594,232 3.764,233 4.654,234 104,235 4.623,239 1.918,240 -0.282,241 1,242 1.364,243 1.364,244 20,245 33.692,246 26.319,248 5.989,249 1.01,250 3.696,251 7.376,252 164.795,253 1.147,254 64,255 1.526,256 7.338,257 1.98,258 1.98,259 3.662,261 7.33,262 0.046,263 1.462,264 1.204,265 5.002,266 4.507,267 3,268 1.02,269 15,270 4,271 2,273 3.5,274 2.302,275 2.302,276 4.742,277 86.439,278 19.898,279 6}
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