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Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 45.708 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10165383 225 18409453588200280963 10930396 42 17702642446515478472 11135926 11 18060137592482273861 11578080 2 14636870970183203708 12236239 1 18040998470765831260 12467345 10 17749387066051149147 12788726 201 18201154339347937649 13782708 43 18124886917188043923 13811026 1 18410855421547322485 13914758 101 18114183004124517736 13947920 75 15697999626322847327 14856354 85 16370732551576496259 15183329 4 17385715920464023458 15840311 113 18115029713518471773 18608769 82 18341053017223608799 19315958 150 18202280326077012206 21033648 29 18271516615415129450 21814621 53 18334855073787150824 23522609 53 16733285490186363420 23559900 14 18412259575701490224 249057 3 18113899385499930500 4144715 1 17968949719907394440 5265222 85 18263651830232568398 563151 248 16587743152981459579 57527295 17 17845357866427534509 59755656 520 15502374538757074329 7226269 152 17988923387775864232 9896288 288 16154535490339363669 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 713.95 20.45 2.56 1.95 12.27 0.59 -0.73 -3.76 -0.88 -1.49 0.12 0.62 -0.36 2.11 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1522.514 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 395 Conformer RMSD 7 2012.05.21 1.2 Diverse Conformer ID List 6 2012.05.21 1 146 230 227 93 71 190 208 86 180 33 228 234 239 215 96 196 241 162 150 40 172 176 186 103 75 206 85 216 193 238 73 144 113 114 195 140 80 38 217 131 214 107 74 137 164 143 9 11 163 138 108 194 174 220 218 127 191 123 12 47 133 142 170 76 156 229 161 23 136 236 52 89 151 149 59 219 203 111 41 110 205 66 178 112 159 95 165 100 26 169 134 64 211 160 184 70 199 34 237 155 58 24 67 135 77 56 182 81 145 32 97 6 226 79 232 213 185 139 119 168 99 49 37 130 53 175 235 106 128 101 62 207 84 68 187 94 43 15 17 98 102 158 90 65 192 42 50 54 209 82 122 7 132 201 105 225 157 204 92 60 152 202 31 147 13 233 210 48 223 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