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18cf51122b77d7d025187e4523b3a1e3 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.1 CCCCCCC(C)OCC d985d856010a7b8ef992ad40f7161b3e [0,0,0,0,0,0|3,0,1]=4 146 B10R0.1 CCCCCCN(C)CCC d9be85fa1ca3cb2603bb497abfd54e2f [0,0,0,0,0,0|3,0,0]=3 147 B10R0.1 CCCCCCN(C)CCF 87a85f2b0a9b84dcbda880835e49b44d [0,0,0,0,0,0|4,0,0]=4 148 B10R0.1 CCCCCCN(C)CCO 91ac4277144a6587277e9315c1c83e80 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.1 CCCCCCN(C)CCS 8a983eb51265685a2a33d9bc4e53864f [0,0,0,0,0,0|4,0,0]=4 150 B10R0.1 CCCCCCN(C)COC b262c2f25c8ec0c154a4a9e33014bb79 [0,0,0,0,0,0|4,0,0]=4 151 B10R0.1 CCCCCCN(C)CSC 3d54765c5a01ab712f1ebe849ee1f4f7 [0,0,0,0,0,0|4,0,0]=4 152 B10R0.1 CCCCCC[C@@H](C)NCC 024aff984286c1e4ab0d37ad1e4e29ca [0,0,0,0,0,0|3,0,1]=4 153 B10R0.1 CCCCCC[C@@H](C)OCC af575d78eb64c4272362170d1037dd2d [0,0,0,0,0,0|3,0,1]=4 154 B10R0.1 CCCCCC[C@H](C)NCC 8f9fd4b854d1037c0c6ab6c1780bba52 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.1 CCCCCC[C@H](C)OCC 2bb6b456a8080df3ef2c68e70ba1062c [0,0,0,0,0,0|3,0,1]=4 156 B10R0.1 CCCCCNC(=O)/C=C/Br ecb0435aa4ab2463ea90f4a108508e49 [0,0,0,0,0,0|2,0,2]=4 157 B10R0.1 CCCCCNC(=O)/C=C/Cl 955b6b7e3570e960a539fd062005b989 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.1 CCCCCNC(=O)/C=C/I 9d744226616ad522003fc9992037fda5 [0,0,0,0,0,0|2,0,2]=4 159 B10R0.1 CCCCCNC(=O)/C=C\Br a8b87e6dae729d0470517d0b917e3af0 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.1 CCCCCNC(=O)/C=C\Cl a04be071be8a4f2debb635989d021997 [0,0,0,0,0,0|2,0,2]=4 161 B10R0.1 CCCCCNC(=O)/C=C\I 3783fb49757e249c404b8c565e3696ea [0,0,0,0,0,0|2,0,2]=4 162 B10R0.1 CCCCCNC(=O)C#CBr 0da61f304b0e84bf627760451acf9412 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.1 CCCCCNC(=O)C=CBr 73a98e1197e9d4f9a1e5c85edaa5cbe8 [0,0,0,0,0,0|2,0,2]=4 164 B10R0.1 CCCCCNC(=O)C=CI eb1e29e3ea7986611f3db8e1e5282c20 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.1 CCCCCNC(=O)CC#N 2c6db1124ce6a3f337f9bf4b0c262cef [0,0,0,0,0,0|2,0,1]=3 166 B10R0.1 CCCCCNC(=O)CC=O 36f9b6b1d9882210ce52718d5f372ace [0,0,0,0,0,0|2,0,1]=3 167 B10R0.1 CCCCCNC(=O)CCC cd3617b761f054cae655d3c214537a01 [0,0,0,0,0,0|1,0,0]=1 168 B10R0.1 CCCCCNC(=O)CCF 8f55dcb051c9e4fa4d8e7353d886739d [0,0,0,0,0,0|2,0,0]=2 169 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [0,0,0,0,0,0|2,0,0]=2 170 B10R0.1 CCCCCNC(=O)CCS 3733c740ac8be76287971250e938eadf [0,0,0,0,0,0|2,0,0]=2 171 B10R0.1 CCCCCNC(=O)COC 3c827a5b8568a226ab9d7a96910886e4 [0,0,0,0,0,0|2,0,0]=2 172 B10R0.1 CCCCCNC(=O)CON d7cee1de03fd51e11ccb46eda36a2cba [0,0,0,0,0,0|3,0,0]=3 173 B10R0.1 CCCCCNC(=O)CSC a633d95815fa33f04c44be165a312304 [0,0,0,0,0,0|2,0,0]=2 174 B10R0.1 CCCCCNC(=O)NC#N ad4783ed96051ffd014b988b0b7fff17 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.1 CCCCCNC(C)CCC 26d51ec122f46d71a5a747b600912d97 [0,0,0,0,0,0|2,0,1]=3 176 B10R0.1 CCCCCNC(C)CCO 0af95b0209b91c7c9df837f2d0d181b7 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.1 CCCCCNC(C)COC 0a0238b0c1bde1666e9fcbfe911d4dc6 [0,0,0,0,0,0|3,0,1]=4 178 B10R0.1 CCCCCN[C@@H](C)CCC e8a554d0748c7efb659626f73b094a1c [0,0,0,0,0,0|2,0,1]=3 179 B10R0.1 CCCCCN[C@@H](C)CCO d9f5bb398f85cd2650e953535831e9d4 [0,0,0,0,0,0|3,0,1]=4 180 B10R0.1 CCCCCN[C@@H](C)COC e14a0baec399bcec3e05437de6290ee0 [0,0,0,0,0,0|3,0,1]=4 181 B10R0.1 CCCCCN[C@H](C)CCO b61e351a9df13c13ce0f36d9542a4c70 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.1 CCCCCN[C@H](C)COC e2b6ed0b3c10b6a2724f7f5022dd73de [0,0,0,0,0,0|3,0,1]=4 183 B10R0.1 CCCCCOC(=S)CCC e70fcd071a998201c96ff7af83897208 [0,0,0,0,0,0|0,1,0]=1 184 B10R0.1 CCCCCOC(C)CC#N 96b12debbc57ef93cfbb2a4108793e5f [0,0,0,0,0,0|2,0,2]=4 185 B10R0.1 CCCCCOC(C)CCC 95598e4482fa2acf5532e4fa9a6ad6e3 [0,0,0,0,0,0|1,0,1]=2 186 B10R0.1 CCCCCOC(C)COC 4855ebeba5ed880120fa9c52b918eb9f [0,0,0,0,0,0|2,0,1]=3 187 B10R0.1 CCCCCOC(C)CSC 57aa4510167397fc6ff7745996a55dff [0,0,0,0,0,0|2,0,1]=3 188 B10R0.1 CCCCCO[C@@H](C)CC#N c489734caa9c2033018c883754e50f6b [0,0,0,0,0,0|2,0,2]=4 189 B10R0.1 CCCCCO[C@@H](C)CCC d796f1fbb42029d496f1afefad90a0c9 [0,0,0,0,0,0|1,0,1]=2 190 B10R0.1 CCCCCO[C@@H](C)COC c4d8dfc216e3f69fad9549a432253a27 [0,0,0,0,0,0|2,0,1]=3 191 B10R0.1 CCCCCO[C@H](C)CC#N 1f0f124b78332688664b4ec8971dddf4 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.1 CCCCCO[C@H](C)CCC 8ec1919c97beba8a5a1b87817d43e6ed [0,0,0,0,0,0|1,0,1]=2 193 B10R0.1 CCCCCO[C@H](C)COC 0ae3dae26efd3344d37fa479699c90ec [0,0,0,0,0,0|2,0,1]=3 194 B10R0.1 CCCCNCC(=O)CCC 453fddd4efd403580a47150fb6a1b943 [0,0,0,0,0,0|2,0,0]=2 195 B10R0.1 CCCCNCC(=O)COC c8c6b69bbcb048c0297d4859878c7a37 [0,0,0,0,0,0|3,0,0]=3 196 B10R0.1 CCCCNCC(=O)NCC a218683c63b1bb6bc4fada805a19d3fa [0,0,0,0,0,0|3,0,0]=3 197 B10R0.1 CCCCNCC(=O)NCO b25b38657c9f4e44ec96d205ddf4ac94 [0,0,0,0,0,0|4,0,0]=4 198 B10R0.1 CCCCNCC(=O)OCC b97c56bc755b41308bd27845c7930d51 [0,0,0,0,0,0|3,0,0]=3 199 B10R0.1 CCCCNCC(C)CCC 4f59e86f407e5a8df9a836ce6955135c [0,0,0,0,0,0|3,0,1]=4 200 B10R0.1 CCCCNCC(O)CCC 6bd7c0c81aa28ae46438b3751e240977 [0,0,0,0,0,0|2,0,2]=4 201 B10R0.1 CCCCOCC(=O)CCC 3c18382cf685be3b48662cc000c9f11f [0,0,0,0,0,0|2,0,0]=2 202 B10R0.1 CCCCOCC(=O)COC 5492555264028ec97fd6f9a9065a58cf [0,0,0,0,0,0|3,0,0]=3 203 B10R0.1 CCCCOCC(=O)NCC 1a816a8692edc4d39f6404d2712f2a39 [0,0,0,0,0,0|3,0,0]=3 204 B10R0.1 CCCCOCC(=O)OCC b9d8b0969b606fca5e0d886f04b1b9a2 [0,0,0,0,0,0|3,0,0]=3 205 B10R0.1 CCCCOCC(C)CCC 2a98bf460dddd7a4e9e45b8087a55eec [0,0,0,0,0,0|3,0,1]=4 206 B10R0.1 CCCCOCN(C)CCC 7f0f02d15a6378bca5e117d267dfb251 [0,0,0,0,0,0|4,0,0]=4 207 B10R0.1 CCCN(C)CCCCCF e27148d9b567bda8627914ddddba069e [0,0,0,0,0,0|4,0,0]=4 208 B10R0.1 CCCN(C)CCCCCO 4305d20a6b59bd375a5c9f2aff4c3e85 [0,0,0,0,0,0|4,0,0]=4 209 B10R0.1 CCCN(C)CCCCOC 52b72a006a739a10a24b19f85b688dc4 [0,0,0,0,0,0|4,0,0]=4 210 B10R0.1 CCCN(C)CCCOCC 20c3397d24eae637873a4f5d643c09c9 [0,0,0,0,0,0|4,0,0]=4 211 B10R0.1 CCCN(C)CCCSCC 593a584b9c4c03f38d1af6272b329652 [0,0,0,0,0,0|4,0,0]=4 212 B10R0.1 CCCNCCC(=O)NCC fed5cf7995e8bcb3cb088a7324683334 [0,0,0,0,0,0|3,0,0]=3 213 B10R0.1 CCCNCCC(=O)OCC a5eca5b369834181d5c681e73bc5df58 [0,0,0,0,0,0|3,0,0]=3 214 B10R0.1 CCCNCOC(=O)CCC 38cbf3506e155a3e433f65aa13f4e89b [0,0,0,0,0,0|1,0,0]=1 215 B10R0.1 CCCNCOC(=O)OCC dd5fb1e82de8f1385da13ffd886652b3 [0,0,0,0,0,0|2,0,0]=2 216 B10R0.1 CCCNCOC(=O)SCC afe6d13e5e63696216df6a5e42e8e018 [0,0,0,0,0,0|2,0,0]=2 217 B10R0.1 CCCOCCC(=O)NCC 716a0638bd662663b8cdb9317f882e86 [0,0,0,0,0,0|3,0,0]=3 218 B10R0.1 CCCOCCC(=O)OCC 7807b520106a1db433af53f99cc9cebe [0,0,0,0,0,0|3,0,0]=3 219 B10R0.1 CCCOCCC(C)CCC 812492a8a2e3acbfb23fcbf69f497277 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.1 CCCOCCC(S)CCC 34887f963efbb0e38cbd0aa64aac796a [0,0,0,0,0,0|2,1,1]=4 221 B10R0.1 CCCOCCN(C)CCC 5eb3e46db7d815edc5f72115f2c5c89a [0,0,0,0,0,0|4,0,0]=4 222 B10R0.1 CCCOCOC(=O)CCC ae34f309fddde79fb1b78768c738001e [0,0,0,0,0,0|1,0,0]=1 223 B10R0.1 CCCOCOC(=O)OCC 00ffc636bc87edde518c508ef349454a [0,0,0,0,0,0|2,0,0]=2 224 B10R0.1 CCCOCOC(=O)SCC db970673b3d242e11b09ecfcd7404053 [0,0,0,0,0,0|2,0,0]=2 225 B10R0.1 CCC[C@@H](C)OCCCC#N ded6ab1e0da6c6d6ddbd7a148919b0f3 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.1 CCC[C@@H](C)OCCCC=O 1e58144f1ea3347817129ca8d99303db [0,0,0,0,0,0|2,0,2]=4 227 B10R0.1 CCC[C@@H](C)OCCCCF c7f4a0dfd0d9a93120bf3e300079a2ed [0,0,0,0,0,0|2,0,1]=3 228 B10R0.1 CCC[C@@H](C)OCCCOC 1c887a342a2e7b5a90c1aa2e3c97c3da [0,0,0,0,0,0|2,0,1]=3 229 B10R0.1 CCC[C@@H](C)OCCCSC c3b0da73eeed24f460ad43097e8014cb [0,0,0,0,0,0|2,0,1]=3 230 B10R0.1 CCC[C@@H](C)OCCOCC 3a42c254752838b833672be593233f0d [0,0,0,0,0,0|2,0,1]=3 231 B10R0.1 CCC[C@@H](C)OCCSCC 45039a4155790bf73751859d1594005d [0,0,0,0,0,0|2,0,1]=3 232 B10R0.1 CCC[C@H](C)NCCCCF 8d2f56df89063eae09b258701bedf0a3 [0,0,0,0,0,0|3,0,1]=4 233 B10R0.1 CCC[C@H](C)NCCCCO 19d23d717e5d19cc87a6e821662725ff [0,0,0,0,0,0|3,0,1]=4 234 B10R0.1 CCC[C@H](C)NCCCOC 621867c6b7289896b029cafee8835c1d [0,0,0,0,0,0|3,0,1]=4 235 B10R0.1 CCC[C@H](C)NCCCSC 4eccd4e2af51c7775bd12591ea96d89b [0,0,0,0,0,0|3,0,1]=4 236 B10R0.1 CCC[C@H](C)NCCOCC cad2d601c9f383fcb83b768a6666f7cc [0,0,0,0,0,0|3,0,1]=4 237 B10R0.1 CCC[C@H](C)NCCSCC 1e7ee973bd09eefe948aba962087fbc1 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.1 CCC[C@H](C)OCCCC#N 6acfe74487a1b3a4fff765c35671b080 [0,0,0,0,0,0|2,0,2]=4 239 B10R0.1 CCC[C@H](C)OCCCC=O d6766811a44286931f53e6f6e5e0222d [0,0,0,0,0,0|2,0,2]=4 240 B10R0.1 CCC[C@H](C)OCCCCF 1185d84c08384ef6e0aa4e601e46a47f [0,0,0,0,0,0|2,0,1]=3 241 B10R0.1 CCC[C@H](C)OCCCOC e2e708b7d4bdaf5c1cb04b6f79671d82 [0,0,0,0,0,0|2,0,1]=3 242 B10R0.1 CCC[C@H](C)OCCCSC 692958a2d3e2afd3539d323d4ad69d08 [0,0,0,0,0,0|2,0,1]=3 243 B10R0.1 CCC[C@H](C)OCCOCC b689ae6df6247584becb7b7915f481aa [0,0,0,0,0,0|2,0,1]=3 244 B10R0.1 CCC[C@H](C)OCCSCC 3b192f827edc34a5309e84248c0416dd [0,0,0,0,0,0|2,0,1]=3 245 B10R0.1 CCNC(=O)CCNCCBr 1f9f558ea0de59ec698c5b67ba5623ce [0,0,0,0,0,0|4,0,0]=4 246 B10R0.1 CCNC(=O)CCNCCF 82959926fc183ffc716d32c678e2c23d [0,0,0,0,0,0|4,0,0]=4 247 B10R0.1 CCNC(=O)CCNCCI 101df6ecad4367a58835c04b1c924da9 [0,0,0,0,0,0|4,0,0]=4 248 B10R0.1 CCNC(=O)CCNCCO 95ddb3d67ac0bdfce705a73f9d453a8e [0,0,0,0,0,0|4,0,0]=4 249 B10R0.1 CCNC(=O)CCNCCS 0d4fd3cb336aa80e1aad1db2b5bf3e2d [0,0,0,0,0,0|4,0,0]=4 250 B10R0.1 CCNC(=O)CCOCCF 7addcb151c86a7c713faa772efeaa04d [0,0,0,0,0,0|4,0,0]=4 251 B10R0.1 CCNC(=O)CCOCCS 0808f4844e9a005d537d9ac8fa1c8dfc [0,0,0,0,0,0|4,0,0]=4 252 B10R0.1 CCNC(=O)CCOCOC b6e45b946a4bf02c749b7fac80392b93 [0,0,0,0,0,0|4,0,0]=4 253 B10R0.1 CCNC(=O)CNCCCCl 9c6ff97864b49d8396431c4ce76be751 [0,0,0,0,0,0|4,0,0]=4 254 B10R0.1 CCNC(=O)CNCCCF c615c71e5423fe3e8cbc404021a795fd [0,0,0,0,0,0|4,0,0]=4 255 B10R0.1 CCNC(=O)CNCCCO 2aa5f1a756a42010184170770de4d7d0 [0,0,0,0,0,0|4,0,0]=4 256 B10R0.1 CCNC(=O)CNCCCS 14189159b6b162ee43ca614708d9c1f8 [0,0,0,0,0,0|4,0,0]=4 257 B10R0.1 CCNC(=O)CNCCOC 4e9254754734005634aa080be5064dfa [0,0,0,0,0,0|4,0,0]=4 258 B10R0.1 CCNC(=O)CNCCSC 921582e620bc9744c65977bc790d2e82 [0,0,0,0,0,0|4,0,0]=4 259 B10R0.1 CCNC(=O)CNCOCC 49effb3200ea90688c3d30f56a60cc04 [0,0,0,0,0,0|4,0,0]=4 260 B10R0.1 CCNC(=O)COCCCF 6879e55a53a664dbfdf20f5ed4986686 [0,0,0,0,0,0|4,0,0]=4 261 B10R0.1 CCNC(=O)COCCCS 09f971483aba30f1c8cfc0f9bb6ee313 [0,0,0,0,0,0|4,0,0]=4 262 B10R0.1 CCNC(=O)COCCOC 126af58aa417d53e2decba7593c648a0 [0,0,0,0,0,0|4,0,0]=4 263 B10R0.1 CCNC(=O)COCCSC deaff2a084443a15847ffbe142fafa63 [0,0,0,0,0,0|4,0,0]=4 264 B10R0.1 CCNC(=O)COCOCC 10ced6eb548f01ba9d4a8f1cb1adaad1 [0,0,0,0,0,0|4,0,0]=4 265 B10R0.1 CCNCCCC(=O)OCC ec7ea6af2e873221783738c3262f1017 [0,0,0,0,0,0|3,0,0]=3 266 B10R0.1 CCOC(=O)CCCNCF d252d1ad95be1be46de00f0a62c87a26 [0,0,0,0,0,0|4,0,0]=4 267 B10R0.1 CCOC(=O)CCCNCO 6ad8e394886b5bbcf235085ec2778bb5 [0,0,0,0,0,0|4,0,0]=4 268 B10R0.1 CCOC(=O)CCCOCF ec36e0805bbb2fa958b8522cdcebce6e [0,0,0,0,0,0|4,0,0]=4 269 B10R0.1 CCOC(=O)CCNCCBr dc62d6e6989f38d8a1c9086df109dd58 [0,0,0,0,0,0|4,0,0]=4 270 B10R0.1 CCOC(=O)CCNCCF a126fe35bf21d7af24142127a9d7b487 [0,0,0,0,0,0|4,0,0]=4 271 B10R0.1 CCOC(=O)CCNCCI ebee6740df89e11a56f6ab71aafb9dee [0,0,0,0,0,0|4,0,0]=4 272 B10R0.1 CCOC(=O)CCNCCO c103a6e0970c0aff3c29210fe93324f0 [0,0,0,0,0,0|4,0,0]=4 273 B10R0.1 CCOC(=O)CCNCCS aec7d2f9c68c53cea47927e128d7b562 [0,0,0,0,0,0|4,0,0]=4 274 B10R0.1 CCOC(=O)CCNCOC ddf32b15df8cba89ca9d021c4d1d593d [0,0,0,0,0,0|4,0,0]=4 275 B10R0.1 CCOC(=O)CCNCSC 84d439c9c270311224f102ed64d933ea [0,0,0,0,0,0|4,0,0]=4 276 B10R0.1 CCOC(=O)CCOCCF 925e99a249fc8f5a48f8ddf51d1e6a35 [0,0,0,0,0,0|4,0,0]=4 277 B10R0.1 CCOC(=O)CCOCCS c7efa8542dc4c5340c321502afe56ef8 [0,0,0,0,0,0|4,0,0]=4 278 B10R0.1 CCOC(=O)CCOCOC e943a6c684e4e08ca5cc5bedbbbf4d1e [0,0,0,0,0,0|4,0,0]=4 279 B10R0.1 CCOC(=O)CCOCSC 688997c505935e69c875e06b92c7ccc8 [0,0,0,0,0,0|4,0,0]=4 280 B10R0.1 CCOC(=O)CNCCCCl 2a7d72348462cab84c46344b34c99ac2 [0,0,0,0,0,0|4,0,0]=4 281 B10R0.1 CCOC(=O)CNCCCF 2b17c80de5b67443357ab9181868ea7a [0,0,0,0,0,0|4,0,0]=4 282 B10R0.1 CCOC(=O)CNCCCO e6ca78830304e337859e0c6e5fd7adb3 [0,0,0,0,0,0|4,0,0]=4 283 B10R0.1 CCOC(=O)CNCCCS be6e7e8ea1ad129a71f56a17397bacd9 [0,0,0,0,0,0|4,0,0]=4 284 B10R0.1 CCOC(=O)CNCCOC 193cf4f6f69e813ac1a6ad1d465b4cf0 [0,0,0,0,0,0|4,0,0]=4 285 B10R0.1 CCOC(=O)CNCCSC 97cf95347670bdca8ae7f4a58822476d [0,0,0,0,0,0|4,0,0]=4 286 B10R0.1 CCOC(=O)COCCCF 9db06f731f4e085bb967620bc40e73c5 [0,0,0,0,0,0|4,0,0]=4 287 B10R0.1 CCOC(=O)COCCCS 910154b5a69cb476fce331dfd79628e5 [0,0,0,0,0,0|4,0,0]=4 288 B10R0.1 CCOC(=O)COCCOC 8d9669626e8f41a69132fe558212487f [0,0,0,0,0,0|4,0,0]=4 289 B10R0.1 CCOC(=O)COCCSC 68d82d823b73c14bf81455b24058a7e8 [0,0,0,0,0,0|4,0,0]=4 290 B10R0.1 CCOC(=O)OCNCC#N 082f981b28fb5580563cf93ff18fc923 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.1 CCOC(=O)OCNCCBr a61ffdc0f93223afd6057dc21cb45d66 [0,0,0,0,0,0|3,0,0]=3 292 B10R0.1 CCOC(=O)OCNCCF 2c7106c293115ac97d34a3ad49a8a2f3 [0,0,0,0,0,0|3,0,0]=3 293 B10R0.1 CCOC(=O)OCNCCI 5c08bb8871acb4665eefbedb8465a7af [0,0,0,0,0,0|3,0,0]=3 294 B10R0.1 CCOC(=O)OCNCCO 41ff48df0b0b1bb9ae91f5c7f14f3eb2 [0,0,0,0,0,0|3,0,0]=3 295 B10R0.1 CCOC(=O)OCNCCS 4284da6d1820be51ec95046775df3a83 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.1 CCOC(=O)OCOCC#N 7477ecfb6688bfd42659f9c4ead279f5 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.1 CCOC(=O)OCOCCS 837640ad7e95b1ea09b0e9bd60b58cce [0,0,0,0,0,0|3,0,0]=3 298 B10R0.1 CCOC(=O)OCOCOC 980e31dc6b923991b3b50a858a6c660c [0,0,0,0,0,0|3,0,0]=3 299 B10R0.1 CCOC/C=C/C(=O)OCC 235a92a77305524a7cdb188642fea70a [0,0,0,0,0,0|3,0,1]=4 300 B10R0.1 CCOCC#CC(=O)OCC fa98a4ed6bedc855f202954d918a08cd [0,0,0,0,0,0|3,0,1]=4 301 B10R0.1 CCOCCCC(=O)OCC 065e688430f5956cbb53aefa5e1e9a90 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.1 CCOCCNC(=O)CC#N bf757ae24ba4ac34eec808a30022087d [0,0,0,0,0,0|3,0,1]=4 303 B10R0.1 CCOCCNC(=O)CC=O 7de1099a21963a808f27bef549b7b2fb [0,0,0,0,0,0|3,0,1]=4 304 B10R0.1 CCOCCNC(=O)CCF 30ff3d1e0d42d88b890503467a1d0faf [0,0,0,0,0,0|3,0,0]=3 305 B10R0.1 CCOCCNC(=O)CCO 07fe0269889c2bb3a011a39b226f32c2 [0,0,0,0,0,0|3,0,0]=3 306 B10R0.1 CCOCCNC(=O)CCS ba9fc205a8abbd5100b90e72fc8022c0 [0,0,0,0,0,0|3,0,0]=3 307 B10R0.1 CCOCCNC(=O)COC 78fcea0c24a356c716c115100dc7a09f [0,0,0,0,0,0|3,0,0]=3 308 B10R0.1 CCOCCNC(=O)CON 01cde7e2c7bbd5d45bf0e49e821227e5 [0,0,0,0,0,0|4,0,0]=4 309 B10R0.1 CCOCCNC(=O)CSC cc96c76b4bd9e83a7fed71cad246cb3d [0,0,0,0,0,0|3,0,0]=3 310 B10R0.1 CCOCCOC(C)COC c64049f70ad000ad36b8f2c93afc1a7f [0,0,0,0,0,0|3,0,1]=4 311 B10R0.1 CCOCCOC(C)CSC e37b25d3e3996a90e6f4be637933ce6d [0,0,0,0,0,0|3,0,1]=4 312 B10R0.1 CCOCCO[C@@H](C)COC 69c1b7f223d7e36f0d2317136a34c909 [0,0,0,0,0,0|3,0,1]=4 313 B10R0.1 CCOCCO[C@H](C)COC 1da8272b007d8b6dfe326b354d992a9d [0,0,0,0,0,0|3,0,1]=4 314 B10R0.1 CCOCNCC(=O)OCC 2155e3c18af0c68bcd17bcd5f7780a07 [0,0,0,0,0,0|4,0,0]=4 315 B10R0.1 CCOCOCC(=O)OCC 91dce8a6e34fa8cace96e79585b8811b [0,0,0,0,0,0|4,0,0]=4 316 B10R0.1 CCSC(=O)OCNCC#N 0a34093f5e9b83824dcf57502b891e52 [0,0,0,0,0,0|3,0,1]=4 317 B10R0.1 CCSC(=O)OCNCCBr fcebbedb499ca6205ca1f02ac2f5223f [0,0,0,0,0,0|3,0,0]=3 318 B10R0.1 CCSC(=O)OCNCCF 33176aeba2024fdd93467bc5d62bb817 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.1 CCSC(=O)OCNCCI cd5d5e832e44331dc5e99c1366a30d76 [0,0,0,0,0,0|3,0,0]=3 320 B10R0.1 CCSC(=O)OCNCCO 241eaf7f0b2ae6b814f815132322c120 [0,0,0,0,0,0|3,0,0]=3 321 B10R0.1 CCSC(=O)OCNCCS bda1e510740cd7c2a86ec829f4ac28ed [0,0,0,0,0,0|3,0,0]=3 322 B10R0.1 CCSC(=O)OCOCC#N 6448bd380bbc14fc93c618ba28f7043a [0,0,0,0,0,0|3,0,1]=4 323 B10R0.1 CCSC(=O)OCOCCF 150adb32985dd649f09deb9e85b0af26 [0,0,0,0,0,0|3,0,0]=3 324 B10R0.1 CCSC(=O)OCOCCS 462e726a31afc3478b6b9f6a57df71b3 [0,0,0,0,0,0|3,0,0]=3 325 B10R0.1 CCSC(=O)OCOCOC 63f95407bcabe56a574337df5d18bb8e [0,0,0,0,0,0|3,0,0]=3 326 B10R0.1 CCSCCNC(=O)CC#N d8a3af782720e916d6ca7ccb5db3cb9f [0,0,0,0,0,0|3,0,1]=4 327 B10R0.1 CCSCCNC(=O)CC=O 52c9793e5e0429b813d5839a04219f93 [0,0,0,0,0,0|3,0,1]=4 328 B10R0.1 CCSCCNC(=O)CCF 546f28f99d32729a57edd07a91f6d52b [0,0,0,0,0,0|3,0,0]=3 329 B10R0.1 CCSCCNC(=O)CCO cdd7f8211b4e390617f39925d56f3718 [0,0,0,0,0,0|3,0,0]=3 330 B10R0.1 CCSCCNC(=O)CCS 7c9b93abf3ea2c2a2c588739c4cb7bac [0,0,0,0,0,0|3,0,0]=3 331 B10R0.1 CCSCCNC(=O)COC a19b0a93f49032c26f16e852a9c205d9 [0,0,0,0,0,0|3,0,0]=3 332 B10R0.1 CCSCCNC(=O)CON 801db2cac15e2a831ba785435db8c21e [0,0,0,0,0,0|4,0,0]=4 333 B10R0.1 CCSCCNC(=O)CSC b409c0a5f6b4d3adf33fab235d1c16f6 [0,0,0,0,0,0|3,0,0]=3 334 B10R0.1 CCSCCOC(C)COC b0142cdcd2d4d81dbcc7d62cc6b2e238 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.1 CCSCCOC(C)CSC 100131d30961f632757850af12ab8e0d [0,0,0,0,0,0|3,0,1]=4 336 B10R0.1 CCSCCO[C@@H](C)COC 5fcb8d5a87e5e0bb1c15e6fe972c7b86 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.1 CCSCCO[C@H](C)COC a1beca207bbfafe828e1b575dd7e07d4 [0,0,0,0,0,0|3,0,1]=4 338 B10R0.1 COCC(=O)CNCCCCl e476564fc0a2f95dcef903ebdce2f326 [0,0,0,0,0,0|4,0,0]=4 339 B10R0.1 COCC(=O)CNCCCO 181e49546b4568ff81ba4a23379b051f [0,0,0,0,0,0|4,0,0]=4 340 B10R0.1 COCC(=O)CNCCSC 6d8487c66282ea54445d91293acf57db [0,0,0,0,0,0|4,0,0]=4 341 B10R0.1 COCC(=O)COCCCF 1efac76f6d965af83427c8cd3db40039 [0,0,0,0,0,0|4,0,0]=4 342 B10R0.1 COCC(=O)COCCSC c326bd99d2ec3dca71ebad02c9717b24 [0,0,0,0,0,0|4,0,0]=4 343 B10R0.1 COCC(=O)NCCCC#N 1581d7eab72b03c54473bb01fc99e372 [0,0,0,0,0,0|3,0,1]=4 344 B10R0.1 COCC(=O)NCCCCCl bf98da29268c6c731a21be48ca575909 [0,0,0,0,0,0|3,0,0]=3 345 B10R0.1 COCC(=O)NCCCCO 9788392c77d4b9388dfcec5602286f1d [0,0,0,0,0,0|3,0,0]=3 346 B10R0.1 COCC(=O)NCCCCS 575c3c3b4fc3fe0df2c117d292232b27 [0,0,0,0,0,0|3,0,0]=3 347 B10R0.1 COCC(=O)NCCCSC 484918eb6915e305a98942cd577ff66d [0,0,0,0,0,0|3,0,0]=3 348 B10R0.1 COCC(C)OCCCCF baf286a95196792cda27bcd563fab66b [0,0,0,0,0,0|3,0,1]=4 349 B10R0.1 COCC(C)OCCCCS 7d790166683942b77257d74041173bbf [0,0,0,0,0,0|3,0,1]=4 350 B10R0.1 COCC(C)OCCCSC d1f17912c3d1ee286f0fb6dd2fa4c15d [0,0,0,0,0,0|3,0,1]=4 351 B10R0.1 COCCCNC(=O)CC#N 6224e207219d51c568d829e02cc1c512 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.1 COCCCNC(=O)CC=O a299ab9ef939019fde177b0f3b044fbe [0,0,0,0,0,0|3,0,1]=4 353 B10R0.1 COCCCNC(=O)CCF 07ad89282b12d855b19aea54b65f7037 [0,0,0,0,0,0|3,0,0]=3 354 B10R0.1 COCCCNC(=O)CCO 82a3671f6ca25e1924fb0d12d2c00443 [0,0,0,0,0,0|3,0,0]=3 355 B10R0.1 COCCCNC(=O)CCS eb8f8b417a7b6ca67973a0cb951e1903 [0,0,0,0,0,0|3,0,0]=3 356 B10R0.1 COCCCNC(=O)COC a95f3d1c56fc9699b3e78feef59d36ec [0,0,0,0,0,0|3,0,0]=3 357 B10R0.1 COCCCNC(=O)CON 113a6b3884fb55290093b2fa816d6dc9 [0,0,0,0,0,0|4,0,0]=4 358 B10R0.1 COCCCNC(=O)CSC c5cb8f5af4ec02bc1896a3f0c0a40533 [0,0,0,0,0,0|3,0,0]=3 359 B10R0.1 COCCCOC(C)COC 8b24e88968a2a1ffb37c7fbe75711de6 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.1 COCCCOC(C)CSC 4c0673f918ba98dea100ce0015477c3c [0,0,0,0,0,0|3,0,1]=4 361 B10R0.1 COCCCO[C@@H](C)COC 0dfa4f4a685630d6e8c1a1678f4bb881 [0,0,0,0,0,0|3,0,1]=4 362 B10R0.1 COCCCO[C@H](C)COC ea35bf4b40f20d58f891d60933aa6d71 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.1 COCCNCC(=O)COC b30201e812a2f048184ce17922389d36 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.1 COCCOCC(=O)COC 8482545c4e53647501dc212160973072 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.1 COC[C@@H](C)OCCCCF 3c236c2b2e590596655648d1da69fe22 [0,0,0,0,0,0|3,0,1]=4 366 B10R0.1 COC[C@@H](C)OCCCSC 05da2dc05a394b6388be614d86648726 [0,0,0,0,0,0|3,0,1]=4 367 B10R0.1 COC[C@H](C)OCCCCF e6160089b378fb6bbcc4556e94acdfbd [0,0,0,0,0,0|3,0,1]=4 368 B10R0.1 COC[C@H](C)OCCCSC 53428136c21fb7980099fb7caee29218 [0,0,0,0,0,0|3,0,1]=4 369 B10R0.1 CSCC(=O)NCCCC#N 5054c532136133f2fcabd66faf18b295 [0,0,0,0,0,0|3,0,1]=4 370 B10R0.1 CSCC(=O)NCCCCCl d28cebc86c70f68b723b95fa8a51740d [0,0,0,0,0,0|3,0,0]=3 371 B10R0.1 CSCC(=O)NCCCCO b5716720caa9ef6737a301802ba2bb6d [0,0,0,0,0,0|3,0,0]=3 372 B10R0.1 CSCC(=O)NCCCCS 0946012f9eefb75ee640ee74283678f3 [0,0,0,0,0,0|3,0,0]=3 373 B10R0.1 CSCC(C)OCCCCF 237ade9cc7b5582f5a4416889b5a4127 [0,0,0,0,0,0|3,0,1]=4 374 B10R0.1 CSCCCNC(=O)CC#N 7445ce1d3a8412196c13a0da634681d6 [0,0,0,0,0,0|3,0,1]=4 375 B10R0.1 CSCCCNC(=O)CC=O 05743c4a0241e95d0ec7d87d96d8ecb7 [0,0,0,0,0,0|3,0,1]=4 376 B10R0.1 CSCCCNC(=O)CCF 836c8274edab8263bfb65d176ae9a745 [0,0,0,0,0,0|3,0,0]=3 377 B10R0.1 CSCCCNC(=O)CCO b1a9b2a734ea204292bf17a713e67108 [0,0,0,0,0,0|3,0,0]=3 378 B10R0.1 CSCCCNC(=O)CCS ec915c99e64127ae48269170511ca292 [0,0,0,0,0,0|3,0,0]=3 379 B10R0.1 CSCCCNC(=O)CON b23947f914e2870efad01c83275abfca [0,0,0,0,0,0|4,0,0]=4 380 B10R0.1 CSCCCNC(=O)CSC df4e66fa8a1d90beb12e79e61332cd13 [0,0,0,0,0,0|3,0,0]=3 381 B10R0.1 CSCCCOC(C)CSC ab3c4cf95d37e128cb0fc7abefa959e9 [0,0,0,0,0,0|3,0,1]=4 382 B10R0.1 N#CCC(=O)NCCCCCl 1f8d450322b3984a89e2158acb652cd8 [0,0,0,0,0,0|3,0,1]=4 383 B10R0.1 N#CCC(=O)NCCCCO 6d8f2beba7e9d5ac87e2038cce7515c1 [0,0,0,0,0,0|3,0,1]=4 384 B10R0.1 N#CCC(=O)NCCCCS 2aa91c0e621dd17ea3b09ea3ffea31b2 [0,0,0,0,0,0|3,0,1]=4 385 B10R0.1 N#CCCCNC(=O)CCF 597f86a1940310c7bc888150a3cf6f7a [0,0,0,0,0,0|3,0,1]=4 386 B10R0.1 N#CCCCNC(=O)CCO ecffec6c3911252b62e6920a5a9e3d89 [0,0,0,0,0,0|3,0,1]=4 387 B10R0.1 N#CCCCNC(=O)CCS f73e031818e229b73afeaf2258f1f2a9 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.1 NOCC(=O)NCCCCCl 736dcfc510790ec1af1ba6f03f0cf914 [0,0,0,0,0,0|4,0,0]=4 389 B10R0.1 NOCC(=O)NCCCCO f36a412987451798d8bb8fed9d0dcd41 [0,0,0,0,0,0|4,0,0]=4 390 B10R0.1 NOCC(=O)NCCCCS ef7fe0acb20aa4b8c21d44fa302f8dcc [0,0,0,0,0,0|4,0,0]=4 391 B10R0.1 O=C(CCF)NCCCCCl da4326635e79533dd9f88241957bd62b [0,0,0,0,0,0|3,0,0]=3 392 B10R0.1 O=C(CCF)NCCCCO 7ca3d07f8aa6c3791730aa748f304038 [0,0,0,0,0,0|3,0,0]=3 393 B10R0.1 O=C(CCF)NCCCCS dc9c03eef229da864a0075977eb454f4 [0,0,0,0,0,0|3,0,0]=3 394 B10R0.1 O=C(CCO)NCCCCCl feeb571388f6c0dca819e020bdd3b7aa [0,0,0,0,0,0|3,0,0]=3 395 B10R0.1 O=C(CCO)NCCCCO eb8190f503184dce54f6503361fba3c2 [0,0,0,0,0,0|3,0,0]=3 396 B10R0.1 O=C(CCO)NCCCCS fcdf16f99c7b22054491ea7f6b6ffbaa [0,0,0,0,0,0|3,0,0]=3 397 B10R0.1 O=C(CCS)NCCCCCl 7848a4967d9fe44f8a74667860e19313 [0,0,0,0,0,0|3,0,0]=3 398 B10R0.1 O=C(CCS)NCCCCO b8d3238d1c88465a91908b8a194ebaf3 [0,0,0,0,0,0|3,0,0]=3 399 B10R0.1 O=C(CCS)NCCCCS 52d8805717368edb54f0ed297ea0dde5 [0,0,0,0,0,0|3,0,0]=3 400 B10R0.1 O=CCC(=O)NCCCCCl b13d059e2b7ceee1fd2060dee6fcf7b2 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.1 O=CCC(=O)NCCCCO 567cb245ca63c22d8b9263c16253d38a [0,0,0,0,0,0|3,0,1]=4 402 B10R0.1 O=CCC(=O)NCCCCS df4ade9b47a9e7cdf7796ffe8080b0ff [0,0,0,0,0,0|3,0,1]=4 403 B9R0.5 C#CCC(=O)NCCCC ba93a74075d3af473d0ae40cb1c8a7e9 [1,0,0,0,0,0|1,0,2]=4 404 B9R0.5 C#CCCNC(=O)CCC 010ec079c645d74cd5f900edc483ff97 [1,0,0,0,0,0|1,0,2]=4 405 B9R0.5 C#CCCOC(=S)CCC d5e3e5bf11ed3e0160f0cb8e507cdb3d [1,0,0,0,0,0|0,1,2]=4 406 B9R0.5 C#CCNCC(=O)CCC 7c95775097695a11b7d7b3efd3645dc6 [1,0,0,0,0,0|1,0,2]=4 407 B9R0.5 C#CCOCC(=O)CCC 7694f2ae952970840898af50771d0440 [1,0,0,0,0,0|1,0,2]=4 408 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [1,0,0,0,0,0|1,0,2]=4 409 B9R0.5 C/C=C/COC(=S)CCC e7cad298ccba9104c0d980de29f137f4 [1,0,0,0,0,0|0,1,2]=4 410 B9R0.5 C/C=C\COC(=S)CCC d856881e8d482988bbba7c3bfef6df70 [1,0,0,0,0,0|0,1,2]=4 411 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [1,0,0,0,0,0|1,0,2]=4 412 B9R0.5 C=CCCNC(=O)CCC cf53a2db9c6b8bf112b423fceb3e3e88 [1,0,0,0,0,0|1,0,2]=4 413 B9R0.5 C=CCCOC(=S)CCC 2692822e92b8218c0255dd67b3275aa5 [1,0,0,0,0,0|0,1,2]=4 414 B9R0.5 CC#CC(=O)NCCCC 41434018c71b7cd84c9c1094b4f5059d [1,0,0,0,0,0|1,0,2]=4 415 B9R0.5 CC#CCNC(=O)CCC 48984c428da435490cd648d1556c7272 [1,0,0,0,0,0|1,0,2]=4 416 B9R0.5 CC=CCNC(=O)CCC a2189c9a5e101c26f476080a5e98ae2b [1,0,0,0,0,0|1,0,2]=4 417 B9R0.5 CCCC(=O)CNCC#N 4c48844f89f54e85c6e419aa1980f836 [1,0,0,0,0,0|2,0,1]=4 418 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [1,0,0,0,0,0|2,0,0]=3 419 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [1,0,0,0,0,0|2,0,0]=3 420 B9R0.5 CCCC(=O)CNCCI 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[1,0,0,0,0,0|2,0,0]=3 433 B9R0.5 CCCC(=O)OCNC#N a51c4831c20ad7913670407ec9a058f2 [1,0,0,0,0,0|2,0,1]=4 434 B9R0.5 CCCC(=S)OCCC#N 4d59f3d5d598722c51a17a6ae837b460 [1,0,0,0,0,0|1,1,1]=4 435 B9R0.5 CCCC(=S)OCCC=O 141f60b34558e8dbf5ffba7be4ff80f9 [1,0,0,0,0,0|1,1,1]=4 436 B9R0.5 CCCC(=S)OCCCF 656dc88ae36c655edad34b161382f41a [1,0,0,0,0,0|1,1,0]=3 437 B9R0.5 CCCC(=S)OCCCS 23b64448f461e9f987487e187aec0d4a [1,0,0,0,0,0|1,1,0]=3 438 B9R0.5 CCCC(=S)OCCOC d3db63e9a9ba0e487e0033504dd762c1 [1,0,0,0,0,0|1,1,0]=3 439 B9R0.5 CCCC(=S)OCCSC ea004ea4cab93907812e5d91a99ec056 [1,0,0,0,0,0|1,1,0]=3 440 B9R0.5 CCCC(=S)OCOCC adf12bc5807344f3b284867173cde60b [1,0,0,0,0,0|1,1,0]=3 441 B9R0.5 CCCC(C)CCOCC fe67a7cc659ef52bef19a5dc944a29b6 [1,0,0,0,0,0|2,0,1]=4 442 B9R0.5 CCCC(C)OCCCF 4e9747e2d6b2c5386230800523638aa2 [1,0,0,0,0,0|2,0,1]=4 443 B9R0.5 CCCC(C)OCCCS 31bb2609b5394c7a115342253a9a46b7 [1,0,0,0,0,0|2,0,1]=4 444 B9R0.5 CCCC(C)OCCOC c2e6ce8981bbd0e5e7a872140ce09c7e [1,0,0,0,0,0|2,0,1]=4 445 B9R0.5 CCCC(C)OCCSC b02b2d120691841f6ce9a1d734fc587b [1,0,0,0,0,0|2,0,1]=4 446 B9R0.5 CCCC(S)CCOCC b7c7a04a4d8fea2f0d1d7d9042f682ae [1,0,0,0,0,0|1,1,1]=4 447 B9R0.5 CCCCCC(=O)NC#N 608ac8706cb8f7927089caf9f4c8964c [1,0,0,0,0,0|2,0,1]=4 448 B9R0.5 CCCCCC(C)NCC 212b1664d44bb18b1fa24a16f6d72877 [1,0,0,0,0,0|2,0,1]=4 449 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [1,0,0,0,0,0|2,0,1]=4 450 B9R0.5 CCCCCN(C)CCC b853278094c2f82fca4e6dd3977c6a67 [1,0,0,0,0,0|2,0,0]=3 451 B9R0.5 CCCCCN(C)CCF c929099b696e86ca8a9f711c65c978ae [1,0,0,0,0,0|3,0,0]=4 452 B9R0.5 CCCCCN(C)CCO 34410e1ec8513358afcc09dffe161858 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.5 CCCCCN(C)CCS 4f1dccd506465b82e3719d813f1669cf [1,0,0,0,0,0|3,0,0]=4 454 B9R0.5 CCCCCN(C)COC 962ac7aa69c9adf59a4c23134026ede4 [1,0,0,0,0,0|3,0,0]=4 455 B9R0.5 CCCCCN(C)CSC 538501ec3ee1a432d2305140357b5c2c [1,0,0,0,0,0|3,0,0]=4 456 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [1,0,0,0,0,0|2,0,1]=4 457 B9R0.5 CCCCC[C@H](C)NCC 0e1700ce314a2064321bc997ef4f9348 [1,0,0,0,0,0|2,0,1]=4 458 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.5 CCCCNC(=O)CC#N 053d3ec5d1d045be31522ff85b2cf2ec [1,0,0,0,0,0|2,0,1]=4 460 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [1,0,0,0,0,0|1,0,0]=2 462 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [1,0,0,0,0,0|2,0,0]=3 463 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [1,0,0,0,0,0|2,0,0]=3 464 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [1,0,0,0,0,0|2,0,0]=3 465 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [1,0,0,0,0,0|2,0,0]=3 466 B9R0.5 CCCCNC(=O)CON ff8aaf07597bc421ccecffa926ce5e77 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.5 CCCCNC(=O)CSC fd9e07d4285a6169aceb5bd025ecd890 [1,0,0,0,0,0|2,0,0]=3 468 B9R0.5 CCCCNC(C)CCC 06cd3d4eadb838cea410097bf17bae5e [1,0,0,0,0,0|2,0,1]=4 469 B9R0.5 CCCCN[C@@H](C)CCC ab2be22024a2e965b1370aa5fe48dbdb [1,0,0,0,0,0|2,0,1]=4 470 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [1,0,0,0,0,0|0,1,0]=2 471 B9R0.5 CCCCOC(C)CCC 92f21439e18e4a0212372a80f0159639 [1,0,0,0,0,0|1,0,1]=3 472 B9R0.5 CCCCOC(C)COC ba4e551fe4b685878d8e23a8545ffdea [1,0,0,0,0,0|2,0,1]=4 473 B9R0.5 CCCCOC(C)CSC a8cdef8b35f4519dea5c9afc41578fcb [1,0,0,0,0,0|2,0,1]=4 474 B9R0.5 CCCCO[C@@H](C)CCC 5b752837ff25253bec29faef567e59b2 [1,0,0,0,0,0|1,0,1]=3 475 B9R0.5 CCCCO[C@@H](C)COC fdc2da5dba6e3d0a9e63de45ba95a113 [1,0,0,0,0,0|2,0,1]=4 476 B9R0.5 CCCCO[C@H](C)CCC 5384ca464c5bc70cb67ae7c0e1b63cd2 [1,0,0,0,0,0|1,0,1]=3 477 B9R0.5 CCCCO[C@H](C)COC 15bbc144a56a666747dad75b1789a610 [1,0,0,0,0,0|2,0,1]=4 478 B9R0.5 CCCN(C)CCCCF e9f7620b25cc1b11cc58a4773b3440d8 [1,0,0,0,0,0|3,0,0]=4 479 B9R0.5 CCCN(C)CCCCO 3d32b13ab18b3ef9a88401c3421fd62f [1,0,0,0,0,0|3,0,0]=4 480 B9R0.5 CCCN(C)CCCOC ad2eae02b2bb95cfc8387466db00f5d9 [1,0,0,0,0,0|3,0,0]=4 481 B9R0.5 CCCN(C)CCCSC f37fcd165281d2dbd151714cacb81d9c [1,0,0,0,0,0|3,0,0]=4 482 B9R0.5 CCCN(C)CCOCC 3efa632175c182f0136a621fef8d4de7 [1,0,0,0,0,0|3,0,0]=4 483 B9R0.5 CCCN(C)CCSCC bd455319f75a94bc5c501e0018a20f8c [1,0,0,0,0,0|3,0,0]=4 484 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [1,0,0,0,0,0|1,0,0]=2 485 B9R0.5 CCCNCC(=O)COC 9c76efdc9995e8503c8a81dc87078b10 [1,0,0,0,0,0|2,0,0]=3 486 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [1,0,0,0,0,0|2,0,0]=3 487 B9R0.5 CCCNCC(=O)NCO 0eb1e391e229900686c61210a46d0652 [1,0,0,0,0,0|3,0,0]=4 488 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [1,0,0,0,0,0|2,0,0]=3 489 B9R0.5 CCCNCC(C)CCC 54d28908b8e1ac09d7a9108b606f57e0 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.5 CCCNCC(O)CCC 3d957147f5d37c2bce44ac77f80f84a5 [1,0,0,0,0,0|1,0,2]=4 491 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [1,0,0,0,0,0|1,0,0]=2 492 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [1,0,0,0,0,0|2,0,0]=3 493 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [1,0,0,0,0,0|2,0,0]=3 494 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [1,0,0,0,0,0|2,0,0]=3 495 B9R0.5 CCCOCC(C)CCC 991f1db54286263be3e664fb478a931d [1,0,0,0,0,0|2,0,1]=4 496 B9R0.5 CCC[C@@H](C)OCCCF b78bfe38684aeafd56cb91d1a9a8a01b [1,0,0,0,0,0|2,0,1]=4 497 B9R0.5 CCC[C@@H](C)OCCCS 24372301ed9c92789ef5ed79f335e943 [1,0,0,0,0,0|2,0,1]=4 498 B9R0.5 CCC[C@@H](C)OCCOC 004b950db0a41fee3b95494fd30abe99 [1,0,0,0,0,0|2,0,1]=4 499 B9R0.5 CCC[C@@H](C)OCCSC 43e6641b50af016cd80a01869d7ad946 [1,0,0,0,0,0|2,0,1]=4 500 B9R0.5 CCC[C@H](C)OCCCF 6c166b3b2e9a49f3214d1221aa05a7b9 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.5 CCC[C@H](C)OCCCS 185072ad1451feb386e475848ae0f455 [1,0,0,0,0,0|2,0,1]=4 502 B9R0.5 CCC[C@H](C)OCCOC 35df3d9129885ef4f47846403feb0737 [1,0,0,0,0,0|2,0,1]=4 503 B9R0.5 CCC[C@H](C)OCCSC 1b7c51f97c66b74c463df2639602e625 [1,0,0,0,0,0|2,0,1]=4 504 B9R0.5 CCNC(=O)CNCCBr eba0f553ee6b07591a41e44f3a5aa8e2 [1,0,0,0,0,0|3,0,0]=4 505 B9R0.5 CCNC(=O)CNCCF 0f5dd9d468b31da44c24ebb652eb530c [1,0,0,0,0,0|3,0,0]=4 506 B9R0.5 CCNC(=O)CNCCI 90892e8fd08d23d8cb8012740b700d11 [1,0,0,0,0,0|3,0,0]=4 507 B9R0.5 CCNC(=O)CNCCO 442a95bc56d02077e9b0f659a35d10bf [1,0,0,0,0,0|3,0,0]=4 508 B9R0.5 CCNC(=O)CNCCS 336193fa38be46171431893753910df2 [1,0,0,0,0,0|3,0,0]=4 509 B9R0.5 CCNC(=O)CNCOC 418fc9ea4e66286d14d012781355c640 [1,0,0,0,0,0|3,0,0]=4 510 B9R0.5 CCNC(=O)CNCSC 581cd0eb74e9a8a8bdc513b22d20213a [1,0,0,0,0,0|3,0,0]=4 511 B9R0.5 CCNC(=O)COCCF 812c23840362a8ca0725db39d692bb07 [1,0,0,0,0,0|3,0,0]=4 512 B9R0.5 CCNC(=O)COCCS 72830f9544a815a06bd3444d77122c12 [1,0,0,0,0,0|3,0,0]=4 513 B9R0.5 CCNC(=O)COCOC f4b52e7b701729895cf1ba81b82493e5 [1,0,0,0,0,0|3,0,0]=4 514 B9R0.5 CCNC(=O)COCSC 36a6937f66bbc3380df8d44f8b9020d8 [1,0,0,0,0,0|3,0,0]=4 515 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [1,0,0,0,0,0|2,0,0]=3 516 B9R0.5 CCOC(=O)CCNCF dc0e8e938f3e0f9376067101916fab11 [1,0,0,0,0,0|3,0,0]=4 517 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [1,0,0,0,0,0|3,0,0]=4 518 B9R0.5 CCOC(=O)CCOCF b923097280e6d745523067d0f7821723 [1,0,0,0,0,0|3,0,0]=4 519 B9R0.5 CCOC(=O)CNCCBr 2d8ed3ea34766b7d343241f665b80229 [1,0,0,0,0,0|3,0,0]=4 520 B9R0.5 CCOC(=O)CNCCF 99d39e110ac23618c63f1317b2282cce [1,0,0,0,0,0|3,0,0]=4 521 B9R0.5 CCOC(=O)CNCCI 75072515d706cd5c15a349fb418110fa [1,0,0,0,0,0|3,0,0]=4 522 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [1,0,0,0,0,0|3,0,0]=4 523 B9R0.5 CCOC(=O)CNCCS 2d2d40dfd5cc8614b9490097a11bc9af [1,0,0,0,0,0|3,0,0]=4 524 B9R0.5 CCOC(=O)CNCOC 3338587ded14e7c228302d0aec1db622 [1,0,0,0,0,0|3,0,0]=4 525 B9R0.5 CCOC(=O)CNCSC 83cee1aea68795d140c24e1cd1c34d73 [1,0,0,0,0,0|3,0,0]=4 526 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [1,0,0,0,0,0|3,0,0]=4 527 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [1,0,0,0,0,0|3,0,0]=4 528 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [1,0,0,0,0,0|3,0,0]=4 529 B9R0.5 CCOC(=O)COCSC d1c9bb1a8c14847f19476af8bd4e260f [1,0,0,0,0,0|3,0,0]=4 530 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [1,0,0,0,0,0|2,0,0]=3 531 B9R0.5 COCC(=O)CNCCI de001d33d2a83ecbcdbf60168bdb71b4 [1,0,0,0,0,0|3,0,0]=4 532 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [1,0,0,0,0,0|3,0,0]=4 533 B9R0.5 COCC(=O)CNCCS 998c86e7067a208995617aaf569ee24d [1,0,0,0,0,0|3,0,0]=4 534 B9R0.5 COCC(=O)COCCS 4c50ce8dad8eb47119f9c3bca158fc1a [1,0,0,0,0,0|3,0,0]=4 535 B9R0.5 COCC(=O)NCCCCl 9b8e00a91bd11b43b2cced22d7f8490f [1,0,0,0,0,0|3,0,0]=4 536 B9R0.5 COCC(=O)NCCCO 8066d497a25e88f2387cdf27e9376a33 [1,0,0,0,0,0|3,0,0]=4 537 B9R0.5 COCC(=O)NCCSC ae9802b73da9588e64754d62c956dbe2 [1,0,0,0,0,0|3,0,0]=4 538 B9R0.5 COCCNC(=O)CCF 703c6442db6e4c16b32cf0385fe1f071 [1,0,0,0,0,0|3,0,0]=4 539 B9R0.5 COCCNC(=O)CCO da506b7eb06569e31b2bdbe6c4e1e62a [1,0,0,0,0,0|3,0,0]=4 540 B9R0.5 COCCNC(=O)CCS b8ee435c0e502f7ec824944f584c26af [1,0,0,0,0,0|3,0,0]=4 541 B9R0.5 COCCNC(=O)COC b53dbf929afbe9b06300c313013c1089 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.5 COCCNC(=O)CSC 3a940bbcc690a26481b40d716f51d75b [1,0,0,0,0,0|3,0,0]=4 543 B9R0.5 COCOCC(=O)COC 7449521e3687d4ca34f0ee79710cdd82 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.5 CSCC(=O)NCCCCl f8e5807b04533e1f0294eb15b05b589e [1,0,0,0,0,0|3,0,0]=4 545 B9R0.5 CSCC(=O)NCCCO 5640a773b24a2079e88c1538d74a13f3 [1,0,0,0,0,0|3,0,0]=4 546 B9R0.5 CSCCNC(=O)CCF 976855bf6bbc92279851c6db72b3fe06 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.5 CSCCNC(=O)CCO 43f57de6b29a2d1d41363767bdf0c9f1 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.5 CSCCNC(=O)CCS cc2a240397388430a40e2a34c43c5050 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.5 CSCCNC(=O)CSC 2dbace4ea8ec9c7a8b0a6a20b93d81ea [1,0,0,0,0,0|3,0,0]=4 550 B9R0.5 O=C(CCF)NCCCCl 450f9e397437565bfe33b39b053c4245 [1,0,0,0,0,0|3,0,0]=4 551 B9R0.5 O=C(CCF)NCCCO 3c99316c0047228a6d04ddef64744a30 [1,0,0,0,0,0|3,0,0]=4 552 B9R0.5 O=C(CCO)NCCCCl abeaa24b07e6d3bdfe3ff6d05860a8be [1,0,0,0,0,0|3,0,0]=4 553 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [1,0,0,0,0,0|3,0,0]=4 554 B9R0.5 O=C(CCS)NCCCCl 5d4cbf1d3f8d26cc0fcfe1598b77ca0e [1,0,0,0,0,0|3,0,0]=4 555 B9R0.5 O=C(CCS)NCCCO d39ac9fd8653d19eae81484da48b1f73 [1,0,0,0,0,0|3,0,0]=4 556 B9R0.45 C#CCCCOCCCC 455b20947599c42b63a460c5f97b230b [1,0,0,0,0,0|0,0,3]=4 557 B9R0.45 C#CCCOCCCCC 0b844e7d38a15bf2cf13b79058ea6790 [1,0,0,0,0,0|0,0,3]=4 558 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [1,0,0,0,0,0|0,0,3]=4 559 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [1,0,0,0,0,0|0,0,3]=4 560 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [1,0,0,0,0,0|0,0,3]=4 561 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [1,0,0,0,0,0|0,0,3]=4 562 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [1,0,0,0,0,0|0,0,3]=4 563 B9R0.45 CC#CCCOCCCC c72a6c42998742ae583736d95f423721 [1,0,0,0,0,0|0,0,3]=4 564 B9R0.45 CC#CCOCCCCC 07d04e7fc4125bc3518c9cd0bb6a8ff5 [1,0,0,0,0,0|0,0,3]=4 565 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [1,0,0,0,0,0|2,0,1]=4 566 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [1,0,0,0,0,0|2,0,1]=4 567 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [1,0,0,0,0,0|0,0,3]=4 568 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [1,0,0,0,0,0|2,0,1]=4 569 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [1,0,0,0,0,0|2,0,1]=4 570 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [1,0,0,0,0,0|2,0,1]=4 571 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [1,0,0,0,0,0|0,0,3]=4 572 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [1,0,0,0,0,0|0,0,3]=4 573 B9R0.45 CCC#CCOCCCC e29b05fd44bb447849a1841423f507ef [1,0,0,0,0,0|0,0,3]=4 574 B9R0.45 CCC/C=C/CNCCBr d3e07a232209fe5440777ccc661728b3 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [1,0,0,0,0,0|2,0,0]=3 576 B9R0.45 CCC/C=C/CNCCF 0dab72024f268ec4fe15718f8c6d16aa [1,0,0,0,0,0|3,0,0]=4 577 B9R0.45 CCC/C=C/CNCCI 14cbd69f62801cb004945a1ced893a63 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.45 CCC/C=C/CNCCO f36a34dbc29fb4af4c73acfa4003430e [1,0,0,0,0,0|3,0,0]=4 579 B9R0.45 CCC/C=C/CNCCS a4179fa1a875de08e09efe6fda165673 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [1,0,0,0,0,0|2,0,0]=3 581 B9R0.45 CCC/C=C/COCCF 978a5208ddf8dbd1daab1fe6009fa3a9 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.45 CCC/C=C/COCCS 70b6887423dff1b8abacdf0010010f4d [1,0,0,0,0,0|3,0,0]=4 583 B9R0.45 CCC/C=C/COCOC 2ed18a1d7b328c128b9c9b7fe376ba14 [1,0,0,0,0,0|3,0,0]=4 584 B9R0.45 CCC/C=C/COCSC 0ed1754b723aa10b4a46ff1120cdef70 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [1,0,0,0,0,0|2,0,0]=3 586 B9R0.45 CCC/C=C\CCOCF 2b67d157ac69da426b717a823272f886 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.45 CCC/C=C\CNCCBr 1aaf2cfe08984012d1434b649e6912e9 [1,0,0,0,0,0|3,0,0]=4 588 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [1,0,0,0,0,0|2,0,0]=3 589 B9R0.45 CCC/C=C\CNCCF 5c94f11b70b72a7893a0fbf9a05ecedd [1,0,0,0,0,0|3,0,0]=4 590 B9R0.45 CCC/C=C\CNCCI df01ebe4e9c691b07bce3ffc9f21436a [1,0,0,0,0,0|3,0,0]=4 591 B9R0.45 CCC/C=C\CNCCO cfdbb07d9a559faa9d3964c84bf4e450 [1,0,0,0,0,0|3,0,0]=4 592 B9R0.45 CCC/C=C\CNCCS 3cb85b4e8829d8514180b7119d194cda [1,0,0,0,0,0|3,0,0]=4 593 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [1,0,0,0,0,0|2,0,0]=3 594 B9R0.45 CCC/C=C\COCCF 511c03796cf7185b66b2da83396e230d [1,0,0,0,0,0|3,0,0]=4 595 B9R0.45 CCC/C=C\COCCS 069417b43be98e62668d665c91d715b3 [1,0,0,0,0,0|3,0,0]=4 596 B9R0.45 CCC/C=C\COCOC 55ea190b49bb7f6c2655f389f986e42c [1,0,0,0,0,0|3,0,0]=4 597 B9R0.45 CCC/C=C\COCSC b8b2c6e8294ce2f2ef38018053320a26 [1,0,0,0,0,0|3,0,0]=4 598 B9R0.45 CCCC#CCCOCC 87cce18b1526d1564fd256422e3a5c87 [1,0,0,0,0,0|2,0,1]=4 599 B9R0.45 CCCC#CCOCCC ff72fbd1d49bd3be22c26f820479a5f0 [1,0,0,0,0,0|2,0,1]=4 600 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [1,0,0,0,0,0|2,0,1]=4 601 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [1,0,0,0,0,0|2,0,1]=4 602 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [1,0,0,0,0,0|3,0,0]=4 603 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [1,0,0,0,0,0|2,0,0]=3 604 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [1,0,0,0,0,0|3,0,0]=4 605 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [1,0,0,0,0,0|3,0,0]=4 606 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [1,0,0,0,0,0|3,0,0]=4 607 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [1,0,0,0,0,0|3,0,0]=4 608 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [1,0,0,0,0,0|3,0,0]=4 609 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [1,0,0,0,0,0|3,0,0]=4 610 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [1,0,0,0,0,0|2,0,0]=3 611 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [1,0,0,0,0,0|3,0,0]=4 612 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [1,0,0,0,0,0|3,0,0]=4 613 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [1,0,0,0,0,0|3,0,0]=4 614 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [1,0,0,0,0,0|3,0,0]=4 615 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [1,0,0,0,0,0|1,0,1]=3 616 B9R0.45 CCCCCNCCCCl 109aece1b500375b78357a337e9896e4 [1,0,0,0,0,0|2,0,1]=4 617 B9R0.45 CCCCCNCCCF 5ad689e26c296fbe8637b1c72c8b1ac8 [1,0,0,0,0,0|2,0,1]=4 618 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [1,0,0,0,0,0|2,0,1]=4 619 B9R0.45 CCCCCNCCCS 7d387ec49be60b8d3336c43db9a47159 [1,0,0,0,0,0|2,0,1]=4 620 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [1,0,0,0,0,0|2,0,1]=4 621 B9R0.45 CCCCCNCCSC 738dc92cc1ee7c68b53e333bc3c1249e [1,0,0,0,0,0|2,0,1]=4 622 B9R0.45 CCCCCNCOCC 106dd0a5d7506881af71fe2f076cb844 [1,0,0,0,0,0|2,0,1]=4 623 B9R0.45 CCCCCOCCC#N b56a90d4adc45e9e40fb67d86d26f6c5 [1,0,0,0,0,0|1,0,2]=4 624 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [1,0,0,0,0,0|1,0,2]=4 625 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [1,0,0,0,0,0|0,0,1]=2 626 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [1,0,0,0,0,0|1,0,1]=3 627 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [1,0,0,0,0,0|1,0,1]=3 628 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [1,0,0,0,0,0|1,0,1]=3 629 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [1,0,0,0,0,0|1,0,1]=3 630 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [1,0,0,0,0,0|1,0,1]=3 631 B9R0.45 CCCCNCCCCCl 8e0e9ebf8dfb1495f624013ef828e19e [1,0,0,0,0,0|2,0,1]=4 632 B9R0.45 CCCCNCCCCF 953d043841cd25eff2ef5c3d0831f1dd [1,0,0,0,0,0|2,0,1]=4 633 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [1,0,0,0,0,0|2,0,1]=4 634 B9R0.45 CCCCNCCCCS 293a84436b4673ea4650c3832cb6a843 [1,0,0,0,0,0|2,0,1]=4 635 B9R0.45 CCCCNCCCOC 788f960a3da4a154a6d1eb4fd6357034 [1,0,0,0,0,0|2,0,1]=4 636 B9R0.45 CCCCNCCCSC 1307aea73f697be7347c70961c337c72 [1,0,0,0,0,0|2,0,1]=4 637 B9R0.45 CCCCNCCOCC 39271ffac0a4948f82700c61c9eec153 [1,0,0,0,0,0|2,0,1]=4 638 B9R0.45 CCCCNCCSCC b1ef8d1aa777f7abf26f9f2c6eb99f55 [1,0,0,0,0,0|2,0,1]=4 639 B9R0.45 CCCCOCCCC#N 3485bfd63f5f243eafd22661b7976f88 [1,0,0,0,0,0|1,0,2]=4 640 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [1,0,0,0,0,0|1,0,2]=4 641 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [1,0,0,0,0,0|1,0,1]=3 642 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [1,0,0,0,0,0|1,0,1]=3 643 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [1,0,0,0,0,0|1,0,1]=3 644 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [1,0,0,0,0,0|1,0,1]=3 645 B9R0.45 CCCCOCCNCC c0f6eb404167932e0e88f86a69bff347 [1,0,0,0,0,0|1,0,1]=3 646 B9R0.45 CCCCOCCNCF 8b135b0f5074a5377d2a7e28c8efcd84 [1,0,0,0,0,0|2,0,1]=4 647 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [1,0,0,0,0,0|2,0,1]=4 648 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [1,0,0,0,0,0|1,0,1]=3 649 B9R0.45 CCCCOCCOCF 07adb0bf6498af630a31d7ca7d57b829 [1,0,0,0,0,0|2,0,1]=4 650 B9R0.45 CCCCOCCSCC 4b27bedc971633e9128e01c7169daa62 [1,0,0,0,0,0|1,0,1]=3 651 B9R0.45 CCCCOCNCCBr 8af49a902b107aa7c699883a58b69d70 [1,0,0,0,0,0|2,0,1]=4 652 B9R0.45 CCCCOCNCCC a731432b21a93145f59a9eee5ade548a [1,0,0,0,0,0|1,0,1]=3 653 B9R0.45 CCCCOCNCCF 2f03f8995a9a7c86acf72933bf9d05e6 [1,0,0,0,0,0|2,0,1]=4 654 B9R0.45 CCCCOCNCCI 1814069953d92dfb68f63dfb93029b9b [1,0,0,0,0,0|2,0,1]=4 655 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [1,0,0,0,0,0|2,0,1]=4 656 B9R0.45 CCCCOCNCCS 024b51c7b9a7aa53e1b6dec1ea932e98 [1,0,0,0,0,0|2,0,1]=4 657 B9R0.45 CCCCOCOCCC bf8c796cfd1bba6ec2766c9548b22b8d [1,0,0,0,0,0|1,0,1]=3 658 B9R0.45 CCCCOCOCCF 36b5a84efa8f0d923bd230c7ea60f543 [1,0,0,0,0,0|2,0,1]=4 659 B9R0.45 CCCCOCOCCS b89141989678ee8d6f2313dbbd0de5e4 [1,0,0,0,0,0|2,0,1]=4 660 B9R0.45 CCCCOCOCOC 562738b96117a23492409bdce5892cd9 [1,0,0,0,0,0|2,0,1]=4 661 B9R0.45 CCCCSCCOCC 696d57545195b0a32e7d1cb44c602929 [1,0,0,0,0,0|1,1,1]=4 662 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [1,0,0,0,0,0|3,0,0]=4 663 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [1,0,0,0,0,0|3,0,0]=4 664 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [1,0,0,0,0,0|3,0,0]=4 665 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [1,0,0,0,0,0|3,0,0]=4 666 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [1,0,0,0,0,0|3,0,0]=4 667 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [1,0,0,0,0,0|3,0,0]=4 668 B9R0.45 CCCNCCCSCC da25d421765166ddce276c23e4b27d3a [1,0,0,0,0,0|3,0,0]=4 669 B9R0.45 CCCNCCOCCC c9636642ffae561b1adc5cd9ae1dccad [1,0,0,0,0,0|3,0,0]=4 670 B9R0.45 CCCNCOCCOC 1ff4fcd517daf00624ce18ae1c71f022 [1,0,0,0,0,0|2,0,1]=4 671 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [1,0,0,0,0,0|3,0,0]=4 672 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [1,0,0,0,0,0|3,0,0]=4 673 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [1,0,0,0,0,0|3,0,0]=4 674 B9R0.45 CCCOCCCNCC 9c5f9e1a8eab534703971dfcd50dc3a4 [1,0,0,0,0,0|3,0,0]=4 675 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [1,0,0,0,0,0|3,0,0]=4 676 B9R0.45 CCCOCCCSCC a587632712094e0a386067bb302c3743 [1,0,0,0,0,0|3,0,0]=4 677 B9R0.45 CCCOCCOCCC 96ef823798ad295a7793168e0a9a50d1 [1,0,0,0,0,0|3,0,0]=4 678 B9R0.45 CCCOCCSCCC ef95f0015148e44bf9c71ec82f7f1f36 [1,0,0,0,0,0|3,0,0]=4 679 B9R0.45 CCCOCOCCOC f5c30870d8f3cceba2555c383ac9ca27 [1,0,0,0,0,0|2,0,1]=4 680 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [1,0,0,0,0,0|2,0,1]=4 681 B9R0.45 CCNCCOCCOC 970ed445813bc968f3810e0a25a03d0b [1,0,0,0,0,0|2,0,1]=4 682 B9R0.45 CCOCCOCCCF 6c21ca5dfb17a6c912498290c2d5e401 [1,0,0,0,0,0|2,0,1]=4 683 B9R0.45 CCOCCOCCCS 5b45dac295981c60698d04d6ce0eb913 [1,0,0,0,0,0|2,0,1]=4 684 B9R0.45 CCOCCOCCOC 47de0acc7a7446e675a0f9ec56feeb8a [1,0,0,0,0,0|2,0,1]=4 685 B9R0.45 CCOCCOCCSC 507e29f582b578a744efa276a08afe49 [1,0,0,0,0,0|2,0,1]=4 686 B9R0.45 CCOCCOCOCC cbd5723652bee0a3b18ace1025e1d4ef [1,0,0,0,0,0|2,0,1]=4 687 B9R0.45 CCOCOCCCCF 0eb4a4f31028b7065d9297c42cd577e6 [1,0,0,0,0,0|2,0,1]=4 688 B9R0.45 CCOCOCCCCS fdf282ee46f26d46746bb3586f789932 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.45 CCOCOCCCOC 24c9ae5c69bc9210f5986ab438ee08a2 [1,0,0,0,0,0|2,0,1]=4 690 B9R0.45 CCOCOCCCSC cdc0b01600dd841ed7ed121efe03e346 [1,0,0,0,0,0|2,0,1]=4 691 B9R0.45 CCOCOCCSCC be0d66b1418e2a82034d9b99173dcb2a [1,0,0,0,0,0|2,0,1]=4 692 B9R0.45 CCSCCOCCCF 609cc5385915dd1e7a7c149cae7bfc22 [1,0,0,0,0,0|2,0,1]=4 693 B9R0.45 CCSCCOCCCS f00c1e7677c53c3d661b7a5f0701f1fc [1,0,0,0,0,0|2,0,1]=4 694 B9R0.45 CCSCCOCCOC 2b34995cce28f50875bf8f33b2ea66ef [1,0,0,0,0,0|2,0,1]=4 695 B9R0.45 CCSCCOCCSC dff42bcd24538ed6968a0ea75d545350 [1,0,0,0,0,0|2,0,1]=4 696 B9R0.45 COCCCOCCCF be4a7b6bffc7bdbc6be013e25622971e [1,0,0,0,0,0|2,0,1]=4 697 B9R0.45 COCCCOCCCS d2c23fd40bfcae6efbc6c9cb789a4072 [1,0,0,0,0,0|2,0,1]=4 698 B9R0.45 COCCCOCCOC 8d4448045401a91e89d55c0e8329b120 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.45 COCCCOCCSC 548dd75bb9b1b4662b5fbabbfd265b58 [1,0,0,0,0,0|2,0,1]=4 700 B9R0.45 COCCOCCCCF b20408ace74068d11d9a143f8e9c3002 [1,0,0,0,0,0|2,0,1]=4 701 B9R0.45 COCCOCCCCS e5e601e78ac3a0dacaff43ddb14a90d5 [1,0,0,0,0,0|2,0,1]=4 702 B9R0.45 COCCOCCCSC dab5475c0c46b9f6c0451d35e0188c9a [1,0,0,0,0,0|2,0,1]=4 703 B9R0.45 CSCCCOCCCF cb30debe154d4a7b3005d488cfb6fa61 [1,0,0,0,0,0|2,0,1]=4 704 B9R0.45 CSCCCOCCCS 0391bd7bea00218f448987cd36d5692b [1,0,0,0,0,0|2,0,1]=4 705 B9R0.45 CSCCCOCCSC 9150bed872b2d0fc2d95b9fd47ac634b [1,0,0,0,0,0|2,0,1]=4 706 B9R0.45 CSCCOCCCCF b0c90fda651092e4188cbba95d298c71 [1,0,0,0,0,0|2,0,1]=4 707 B9R0.45 CSCCOCCCCS 7bc51830898adb55a997ac08cfc7c8a8 [1,0,0,0,0,0|2,0,1]=4 708 B9R0.45 FCCCCOCCCF ff91a2a5bb12ba135ba2bf8e130183dd [1,0,0,0,0,0|2,0,1]=4 709 B9R0.45 FCCCCOCCCS 574abf66c2026bf7345e52ca658fb3fe [1,0,0,0,0,0|2,0,1]=4 710 B9R0.45 FCCCOCCCCS 7010b785144f3aae609eeb67e5b5fb09 [1,0,0,0,0,0|2,0,1]=4 711 B9R0.45 SCCCCOCCCS b7680e9b2ba2fe24d6f57101d2c06d7b [1,0,0,0,0,0|2,0,1]=4 712 B9R0.46 C#CC(=O)NCCCCC 55fc13b7f9003645b4c9dcf569b4fc58 [1,0,0,0,0,0|1,0,2]=4 713 B9R0.46 C#CCCCNC(=O)CC 22853a975cddc205ba646607de5c5c46 [1,0,0,0,0,0|1,0,2]=4 714 B9R0.46 C#CCNCOC(=O)CC 0a45af847dbd5918af152bf340dd1666 [1,0,0,0,0,0|1,0,2]=4 715 B9R0.46 C#CCOCOC(=O)CC 6a3a2984ecf1aa602992322c4fc87f14 [1,0,0,0,0,0|1,0,2]=4 716 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [1,0,0,0,0,0|2,0,1]=4 717 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [1,0,0,0,0,0|3,0,0]=4 718 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [1,0,0,0,0,0|1,0,2]=4 720 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [1,0,0,0,0,0|1,0,2]=4 721 B9R0.46 C=CCCCNC(=O)CC 892a3eaa46528c34d33fea9f5a3dcf16 [1,0,0,0,0,0|1,0,2]=4 722 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [1,0,0,0,0,0|3,0,0]=4 723 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [1,0,0,0,0,0|3,0,0]=4 724 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [1,0,0,0,0,0|3,0,0]=4 725 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [1,0,0,0,0,0|3,0,0]=4 726 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [1,0,0,0,0,0|3,0,0]=4 727 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [1,0,0,0,0,0|3,0,0]=4 728 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [1,0,0,0,0,0|3,0,0]=4 729 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [1,0,0,0,0,0|3,0,0]=4 730 B9R0.46 CCC(=O)NCCCC#N 607a632e52c02be1f98f884f13544007 [1,0,0,0,0,0|2,0,1]=4 731 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [1,0,0,0,0,0|2,0,0]=3 732 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [1,0,0,0,0,0|2,0,0]=3 733 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [1,0,0,0,0,0|2,0,0]=3 734 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [1,0,0,0,0,0|2,0,0]=3 735 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [1,0,0,0,0,0|2,0,0]=3 736 B9R0.46 CCC(=O)NCCNCF 899c4179871cebc8419098e2257bf109 [1,0,0,0,0,0|3,0,0]=4 737 B9R0.46 CCC(=O)NCCNCO 03dc81aae02f0d729bdddc35124dee9e [1,0,0,0,0,0|3,0,0]=4 738 B9R0.46 CCC(=O)NCCOCF 23e78801b622f7fad277c2f392a8cb8f [1,0,0,0,0,0|3,0,0]=4 739 B9R0.46 CCC(=O)OCCOCF dac9515ba882d559f224c99beb993b2d [1,0,0,0,0,0|2,0,0]=3 740 B9R0.46 CCC(=O)OCNCC#N 2ccec99ac2f6c239d0e3f5e2300290ba [1,0,0,0,0,0|2,0,1]=4 741 B9R0.46 CCC(=O)OCNCCBr 04a60479c3fae8cce77a2420fc0b6713 [1,0,0,0,0,0|2,0,0]=3 742 B9R0.46 CCC(=O)OCNCCF b95baeda4ff1a3ff8a2c7d4e7c40b748 [1,0,0,0,0,0|2,0,0]=3 743 B9R0.46 CCC(=O)OCNCCI 14e9c8e2dc7a21d4a9573bdcfc5044a0 [1,0,0,0,0,0|2,0,0]=3 744 B9R0.46 CCC(=O)OCNCCO 1f06de0805ea6ede1ea50046dc693666 [1,0,0,0,0,0|2,0,0]=3 745 B9R0.46 CCC(=O)OCNCCS f97d7fd5dee28bbec1f5640f6f55d6db [1,0,0,0,0,0|2,0,0]=3 746 B9R0.46 CCC(=O)OCOCC#N 42a5ece0bd83f0ee5dfea8c4127e0f61 [1,0,0,0,0,0|2,0,1]=4 747 B9R0.46 CCC(=O)OCOCCF e5fb342926bb871d1cb290b830b4ffb8 [1,0,0,0,0,0|2,0,0]=3 748 B9R0.46 CCC(=O)OCOCCS 6f4d5e6c17478e3865487606bb3e4321 [1,0,0,0,0,0|2,0,0]=3 749 B9R0.46 CCC(=O)OCOCOC b6e9338ebc927d2f6211f21a32802dfc [1,0,0,0,0,0|2,0,0]=3 750 B9R0.46 CCC(C)OCCCCF fd29067324c6c4e2d213686ebe1db414 [1,0,0,0,0,0|2,0,1]=4 751 B9R0.46 CCC(C)OCCCCS 5299718601b454bd878e8e69ddcf6483 [1,0,0,0,0,0|2,0,1]=4 752 B9R0.46 CCC(C)OCCCOC 920d543c516b5c83ae3650a9164e07ca [1,0,0,0,0,0|2,0,1]=4 753 B9R0.46 CCC(C)OCCCSC 58564c22142bd233df8364803ae04186 [1,0,0,0,0,0|2,0,1]=4 754 B9R0.46 CCCCCCN(C)CC 8a417919e488fe1b88a927a0dc8a6acd [1,0,0,0,0,0|3,0,0]=4 755 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [1,0,0,0,0,0|2,0,1]=4 756 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [1,0,0,0,0,0|1,0,0]=2 757 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [1,0,0,0,0,0|2,0,0]=3 758 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [1,0,0,0,0,0|2,0,0]=3 759 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [1,0,0,0,0,0|2,0,0]=3 760 B9R0.46 CCCCCNC(C)CC d4dac8fa5e124377339bde23f68436c7 [1,0,0,0,0,0|2,0,1]=4 761 B9R0.46 CCCCCN[C@@H](C)CC b6b81653be3f1ec33ebabbfa6682ffa7 [1,0,0,0,0,0|2,0,1]=4 762 B9R0.46 CCCCCN[C@H](C)CC 1a59220ace4fed85e800ac900c1bb57f [1,0,0,0,0,0|2,0,1]=4 763 B9R0.46 CCCCCOC(C)CC fc1eb2247bb34f4c011b4f7d0e4c7945 [1,0,0,0,0,0|1,0,1]=3 764 B9R0.46 CCCCCOC(C)CF 5b19438ac5bb1414fffaec033cb2861e [1,0,0,0,0,0|2,0,1]=4 765 B9R0.46 CCCCCOC(C)CS 0134a0372d50041ffbead69c16000b00 [1,0,0,0,0,0|2,0,1]=4 766 B9R0.46 CCCCCO[C@@H](C)CC c4a51e5bded663ac6b4a49e50238da1d [1,0,0,0,0,0|1,0,1]=3 767 B9R0.46 CCCCCO[C@H](C)CC 114a1823e1afabcf8603ed51c782914a [1,0,0,0,0,0|1,0,1]=3 768 B9R0.46 CCCCCO[C@H](C)CS d6b0512832a6a434c166a9513b4ccb30 [1,0,0,0,0,0|2,0,1]=4 769 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [1,0,0,0,0,0|2,0,0]=3 770 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [1,0,0,0,0,0|3,0,0]=4 771 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [1,0,0,0,0,0|3,0,0]=4 772 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [1,0,0,0,0,0|3,0,0]=4 773 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [1,0,0,0,0,0|2,0,0]=3 774 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [1,0,0,0,0,0|3,0,0]=4 775 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [1,0,0,0,0,0|3,0,0]=4 776 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [1,0,0,0,0,0|3,0,0]=4 777 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [1,0,0,0,0,0|3,0,0]=4 778 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [1,0,0,0,0,0|3,0,0]=4 779 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [1,0,0,0,0,0|1,0,0]=2 780 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [1,0,0,0,0,0|2,0,0]=3 781 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [1,0,0,0,0,0|3,0,0]=4 782 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [1,0,0,0,0,0|3,0,0]=4 783 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [1,0,0,0,0,0|3,0,0]=4 784 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [1,0,0,0,0,0|1,0,0]=2 785 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [1,0,0,0,0,0|2,0,0]=3 786 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [1,0,0,0,0,0|3,0,0]=4 787 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [1,0,0,0,0,0|2,0,0]=3 788 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [1,0,0,0,0,0|3,0,0]=4 789 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [1,0,0,0,0,0|2,0,0]=3 790 B9R0.46 CCOCCNC(=O)CF d41b8e9912d9ad97fdf97596beae9298 [1,0,0,0,0,0|3,0,0]=4 791 B9R0.46 CCOCCNC(=O)CO d9af89bf0c14e4934e6283e7e3b7f7b7 [1,0,0,0,0,0|3,0,0]=4 792 B9R0.46 CCOCCNC(=O)CS 7901659e876ad5469c108978c39208e8 [1,0,0,0,0,0|3,0,0]=4 793 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [1,0,0,0,0,0|1,0,0]=2 794 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [1,0,0,0,0,0|2,0,0]=3 795 B9R0.46 CCOCCOC(C)CC 8ffead10c60181691df31d8ade4e4ae1 [1,0,0,0,0,0|2,0,1]=4 796 B9R0.46 CCOCCO[C@@H](C)CC 3b26474e70fe44798dc53e7bf758b859 [1,0,0,0,0,0|2,0,1]=4 797 B9R0.46 CCOCCO[C@H](C)CC 06cae5bafa67b8d9d3e512875d68b6c2 [1,0,0,0,0,0|2,0,1]=4 798 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [1,0,0,0,0,0|3,0,0]=4 799 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [1,0,0,0,0,0|2,0,0]=3 800 B9R0.46 CCSCCNC(=O)CF c8499d1a4cca566cb8cc55934ba02083 [1,0,0,0,0,0|3,0,0]=4 801 B9R0.46 CCSCCNC(=O)CO f1c730e3c2ce8d72f812c2ff79daa704 [1,0,0,0,0,0|3,0,0]=4 802 B9R0.46 CCSCCNC(=O)CS dde9b25e1370875d5dcea9a592ce2f24 [1,0,0,0,0,0|3,0,0]=4 803 B9R0.46 CCSCCOC(C)CC a99bfa3e0b7ddd23f5f4986851ab52fe [1,0,0,0,0,0|2,0,1]=4 804 B9R0.46 CCSCCO[C@@H](C)CC d5db9f13bade2dcda4aa60acaa3134ed [1,0,0,0,0,0|2,0,1]=4 805 B9R0.46 CCSCCO[C@H](C)CC d85640a5066c15e315f48de11dbf8afd [1,0,0,0,0,0|2,0,1]=4 806 B9R0.46 CC[C@@H](C)OCCCCF 5e3c9341302012b96ff35441d0c6a540 [1,0,0,0,0,0|2,0,1]=4 807 B9R0.46 CC[C@@H](C)OCCCOC 2f9d57f9d6435302ae73a62c0138fd2b [1,0,0,0,0,0|2,0,1]=4 808 B9R0.46 CC[C@@H](C)OCCCSC e3def9f2ce66bff30db7f50cb5fe763d [1,0,0,0,0,0|2,0,1]=4 809 B9R0.46 CC[C@H](C)OCCCCF 540bd33076f3a778f4a9ac8228bb2893 [1,0,0,0,0,0|2,0,1]=4 810 B9R0.46 CC[C@H](C)OCCCOC 3a7736b0727880225605e3c3f5f132a5 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.46 CC[C@H](C)OCCCSC df0b9e89a23fd3867207d6b20f433550 [1,0,0,0,0,0|2,0,1]=4 812 B9R0.46 COC(=O)OCCOCF e98dd05af7d2c94f94e4f3d0e2ed855c [1,0,0,0,0,0|3,0,0]=4 813 B9R0.46 COC(=O)OCNCCBr 31572077acbc74c497adea5aac59608a [1,0,0,0,0,0|3,0,0]=4 814 B9R0.46 COC(=O)OCNCCF 9ec05e01e27cce8275ad02a170f5dd3b [1,0,0,0,0,0|3,0,0]=4 815 B9R0.46 COC(=O)OCNCCI dc24908a9e581c38488bf4a686543a37 [1,0,0,0,0,0|3,0,0]=4 816 B9R0.46 COC(=O)OCNCCO b043b1f4c8b6ead733606d48fba1c12c [1,0,0,0,0,0|3,0,0]=4 817 B9R0.46 COC(=O)OCNCCS cd076bc84e1a0cc472243a4b15b32669 [1,0,0,0,0,0|3,0,0]=4 818 B9R0.46 COC(=O)OCOCCF d50173eb55ebfa5b25ba82997eed753c [1,0,0,0,0,0|3,0,0]=4 819 B9R0.46 COC(=O)OCOCCS 04092d40ea56244b727f94fb9a6b6f65 [1,0,0,0,0,0|3,0,0]=4 820 B9R0.46 COCCCNC(=O)CF 718d789d9c9b3de8ce7aaf799b138a49 [1,0,0,0,0,0|3,0,0]=4 821 B9R0.46 COCCCNC(=O)CO 4b8e790e604cafa347f0e3785cd6641b [1,0,0,0,0,0|3,0,0]=4 822 B9R0.46 COCCCNC(=O)CS 6542d3222e7a298778a1592dc2515b2a [1,0,0,0,0,0|3,0,0]=4 823 B9R0.46 COCOCOC(=O)OC 831dc3cd656f1065c91c21085ad03026 [1,0,0,0,0,0|3,0,0]=4 824 B9R0.46 CSCCCNC(=O)CF 9acc223c1c2784c04c0f9edcd685c29e [1,0,0,0,0,0|3,0,0]=4 825 B9R0.46 CSCCCNC(=O)CO ce8082938571d6f8f53b5bb113c8236b [1,0,0,0,0,0|3,0,0]=4 826 B9R0.46 CSCCCNC(=O)CS 3a7b1932bb117f738cca455d7c7d4dbd [1,0,0,0,0,0|3,0,0]=4 827 B9R0.46 O=C(CF)NCCCCCl 0711319b7e1ea6f21ff287829fc7e7fd [1,0,0,0,0,0|3,0,0]=4 828 B9R0.46 O=C(CF)NCCCCO 55742d922757adee17ba8d48239de065 [1,0,0,0,0,0|3,0,0]=4 829 B9R0.46 O=C(CF)NCCCCS 8c0613e01a020880b3b5fbe1760dcd85 [1,0,0,0,0,0|3,0,0]=4 830 B9R0.46 O=C(CO)NCCCCCl f0ad0ac6e2645bb25ea69c74141c8d38 [1,0,0,0,0,0|3,0,0]=4 831 B9R0.46 O=C(CO)NCCCCO 063fc2727d5485e0a8fd8539cfb094c8 [1,0,0,0,0,0|3,0,0]=4 832 B9R0.46 O=C(CO)NCCCCS 317b4fdfe03e7ecdf2b9dbde8ca0a55e [1,0,0,0,0,0|3,0,0]=4 833 B9R0.46 O=C(CS)NCCCCCl cda979a7f379ed028a0c788381d70f6a [1,0,0,0,0,0|3,0,0]=4 834 B9R0.46 O=C(CS)NCCCCO 4fcea8da1f2ecdfd0c739dabea0c409c [1,0,0,0,0,0|3,0,0]=4 835 B9R0.46 O=C(CS)NCCCCS c7942cb438cc8ef27453e514b7d0db1a [1,0,0,0,0,0|3,0,0]=4 836 B11R0.2 C#CCCCNC(=O)CC(C)C 5a36a9d3ab7ca715e284e4b19a3a2648 [0,1,0,0,0,0|1,0,2]=4 837 B11R0.2 C#CCCCNC(=O)CC(C)O cc463a9cfb1e2ac067d2b06d6e46f7b9 [0,1,0,0,0,0|1,0,2]=4 838 B11R0.2 C#CCCCNC(=O)C[C@@H](C)O 1453a3d68383f963f1c7c472459f836a [0,1,0,0,0,0|1,0,2]=4 839 B11R0.2 C#CCCCNC(=O)C[C@H](C)O 5683d733db6b2c46fa741d13573ab4a8 [0,1,0,0,0,0|1,0,2]=4 840 B11R0.2 C#CCNCOC(=O)CC(C)C da51a74ff2d61f59c71fc381d8446f76 [0,1,0,0,0,0|1,0,2]=4 841 B11R0.2 C#CCOCOC(=O)CC(C)C 04cd21941358e13130bc6f334346d4c5 [0,1,0,0,0,0|1,0,2]=4 842 B11R0.2 C=C(C)CC(=O)NCCCCC 6af859944a288786d4659af549d01d44 [0,1,0,0,0,0|1,0,1]=3 843 B11R0.2 C=C(C)CC(=O)NCCCCCl cb86f6abaa8a03f223d7752eb313df59 [0,1,0,0,0,0|2,0,1]=4 844 B11R0.2 C=C(C)CC(=O)NCCCCO a094a4c6f699a0005d6a1f569111db47 [0,1,0,0,0,0|2,0,1]=4 845 B11R0.2 C=C(C)CC(=O)NCCCCS e9f0a45f42730fe2d4a62317e21fadc6 [0,1,0,0,0,0|2,0,1]=4 846 B11R0.2 C=C(C)CC(=O)NCCCOC bed9c30963e5ecae458364ed3a06bf51 [0,1,0,0,0,0|2,0,1]=4 847 B11R0.2 C=C(C)CC(=O)NCCCSC f659c0411529c9ba3e9e21a118efcfd8 [0,1,0,0,0,0|2,0,1]=4 848 B11R0.2 C=C(C)CC(=O)NCCOCC db55cd8de0e7f415bd487c02970a8c60 [0,1,0,0,0,0|2,0,1]=4 849 B11R0.2 C=C(C)CC(=O)NCCSCC 67fdc2c1864c637d5ff290f1e7e12b52 [0,1,0,0,0,0|2,0,1]=4 850 B11R0.2 C=CCCCNC(=O)CC(C)C d37d078e8f0a588163e65edea0e9e2de [0,1,0,0,0,0|1,0,2]=4 851 B11R0.2 C=CCCCNC(=O)CC(C)O c5a3ecee1c84d2cf0ec5dd98b90b5602 [0,1,0,0,0,0|1,0,2]=4 852 B11R0.2 C=CCCCNC(=O)C[C@@H](C)O b71be54601af311184ba6c34aea52ca9 [0,1,0,0,0,0|1,0,2]=4 853 B11R0.2 C=CCCCNC(=O)C[C@H](C)O 3acc2d05ed89e4cedc418d284d7db00b [0,1,0,0,0,0|1,0,2]=4 854 B11R0.2 CC(=O)CC(=O)NCCCCCl f706ea1ccad31cab8df671f81d842969 [0,1,0,0,0,0|2,0,1]=4 855 B11R0.2 CC(=O)CC(=O)NCCCCO c8ed5e70d66bc767a0c9570b4f840f1a [0,1,0,0,0,0|2,0,1]=4 856 B11R0.2 CC(=O)CC(=O)NCCCCS b9bf659e935aac977d09f03e311d0d71 [0,1,0,0,0,0|2,0,1]=4 857 B11R0.2 CC(C)CC(=O)CNCCCCl 930074b1c7249b3a19391ea740bf4873 [0,1,0,0,0,0|3,0,0]=4 858 B11R0.2 CC(C)CC(=O)CNCCCO a5e81d8b94b846ce8dadad1d8942e2f8 [0,1,0,0,0,0|3,0,0]=4 859 B11R0.2 CC(C)CC(=O)COCCCF e2550c187a329af593a463d5f97db5a4 [0,1,0,0,0,0|3,0,0]=4 860 B11R0.2 CC(C)CC(=O)COCCCS 3bfcdcc00ac589b5037b095b4bb22e6a [0,1,0,0,0,0|3,0,0]=4 861 B11R0.2 CC(C)CC(=O)NCCCC#N 282d23f9f0ef6e88c22dad9e8a725fbf [0,1,0,0,0,0|2,0,1]=4 862 B11R0.2 CC(C)CC(=O)NCCCCCl fbbc2f2a5db1f51ee9ace8896599af3b [0,1,0,0,0,0|2,0,0]=3 863 B11R0.2 CC(C)CC(=O)NCCCCO 081df9ee4582c51e92160534c97b2cee [0,1,0,0,0,0|2,0,0]=3 864 B11R0.2 CC(C)CC(=O)NCCCCS 0063b0b9bb21854adb4c33c77cc47f22 [0,1,0,0,0,0|2,0,0]=3 865 B11R0.2 CC(C)CC(=O)OCNCC#N 9299b67593d895b86be3ebe5b578fbb3 [0,1,0,0,0,0|2,0,1]=4 866 B11R0.2 CC(C)CC(=O)OCNCCBr 6116c745f7d0cc5b2d16545ded3e2f21 [0,1,0,0,0,0|2,0,0]=3 867 B11R0.2 CC(C)CC(=O)OCNCCF 047fa6f8ca89c9f5493780c49ec104c5 [0,1,0,0,0,0|2,0,0]=3 868 B11R0.2 CC(C)CC(=O)OCNCCI ec4694bc5e3598956d55e9f229b7ea28 [0,1,0,0,0,0|2,0,0]=3 869 B11R0.2 CC(C)CC(=O)OCNCCO 95442db96f2cbe63cd261836009e706f [0,1,0,0,0,0|2,0,0]=3 870 B11R0.2 CC(C)CC(=O)OCNCCS c467ecc9d072a5f1eb0fb76bcc87b487 [0,1,0,0,0,0|2,0,0]=3 871 B11R0.2 CC(C)CC(=O)OCOCC#N ec9359b0a345efed0954fc7e5e0c7a1d [0,1,0,0,0,0|2,0,1]=4 872 B11R0.2 CC(C)CC(=O)OCOCCF 841c9d8dd827185c82d7718858004319 [0,1,0,0,0,0|2,0,0]=3 873 B11R0.2 CC(C)CC(=O)OCOCCS 2b5f41f376f5b9507024637b8c0c6429 [0,1,0,0,0,0|2,0,0]=3 874 B11R0.2 CC(C)CC(C)OCCCCF 153b4626a3b734650cba87a5851067a1 [0,1,0,0,0,0|2,0,1]=4 875 B11R0.2 CC(C)CC(C)OCCCCS b2497b4f81040e74b7b73791876d6478 [0,1,0,0,0,0|2,0,1]=4 876 B11R0.2 CC(C)C[C@@H](C)OCCCCF 009385fb49739c04b299deb41c12081a [0,1,0,0,0,0|2,0,1]=4 877 B11R0.2 CC(C)C[C@H](C)OCCCCF 6c1e623f8b6b8c57a3483eec7670330f [0,1,0,0,0,0|2,0,1]=4 878 B11R0.2 CC(C)OC(=O)OCNCCBr 1a6ecec72520ef59815f80f1b9a6e50d [0,1,0,0,0,0|3,0,0]=4 879 B11R0.2 CC(C)OC(=O)OCNCCF e756a122d64705ba5cb3aae37cec9984 [0,1,0,0,0,0|3,0,0]=4 880 B11R0.2 CC(C)OC(=O)OCNCCI 66ebf4831356e78a4118736ce678659e [0,1,0,0,0,0|3,0,0]=4 881 B11R0.2 CC(C)OC(=O)OCNCCO f33413dd62db47158e8abd440c5ab3dd [0,1,0,0,0,0|3,0,0]=4 882 B11R0.2 CC(C)OC(=O)OCNCCS 7489228cc7da976a097cc16a3e39c003 [0,1,0,0,0,0|3,0,0]=4 883 B11R0.2 CC(C)OC(=O)OCOCCF dc26a85b51b62e622adaf17ea7c87f4f [0,1,0,0,0,0|3,0,0]=4 884 B11R0.2 CC(C)OC(=O)OCOCCS d5f5b432955cb874fb5371fdef917925 [0,1,0,0,0,0|3,0,0]=4 885 B11R0.2 CC(O)CC(=O)NCCCC#N e9e4b556dc4a32a038783540e34da0b9 [0,1,0,0,0,0|2,0,1]=4 886 B11R0.2 CC(O)CC(=O)NCCCCCl 08e9c0ec64ab0bc14bfa10d8b0e5223c [0,1,0,0,0,0|2,0,0]=3 887 B11R0.2 CC(O)CC(=O)NCCCCO 2170a8668fcb9fff25559d9be3c31212 [0,1,0,0,0,0|2,0,0]=3 888 B11R0.2 CC(O)CC(=O)NCCCCS 1244d8f3876319c4f4507a91493dd1cb [0,1,0,0,0,0|2,0,0]=3 889 B11R0.2 CCCCCCN(C)CC(C)C 75381f5b030f59775455731f978dd2db [0,1,0,0,0,0|3,0,0]=4 890 B11R0.2 CCCCCCN(C)CC(C)O a9dd09345b7ade61af05dba120ab6503 [0,1,0,0,0,0|3,0,0]=4 891 B11R0.2 CCCCCCN(C)C[C@@H](C)O c920e3f5d8a26d97a0c4849baa4d03d2 [0,1,0,0,0,0|3,0,0]=4 892 B11R0.2 CCCCCCN(C)C[C@H](C)O 94f3e4ffc4936f66a71ce3f1da85b272 [0,1,0,0,0,0|3,0,0]=4 893 B11R0.2 CCCCCNC(=O)/C=C(/C)\Cl 8f94c10cdfeece593e76e19ea58097fa [0,1,0,0,0,0|1,0,2]=4 894 B11R0.2 CCCCCNC(=O)/C=C(/C)\I 291c9e92043fb697d65a231eebee929e [0,1,0,0,0,0|1,0,2]=4 895 B11R0.2 CCCCCNC(=O)/C=C(\C)/Cl f5f438e08f990cbca50a72e04eb83e74 [0,1,0,0,0,0|1,0,2]=4 896 B11R0.2 CCCCCNC(=O)C=C(C)C dcf40b5f1c3e670ba807e767e8d9896a [0,1,0,0,0,0|1,0,2]=4 897 B11R0.2 CCCCCNC(=O)C=C(C)I f7d7ee33b8c575fc7d4f840c0ffffbb0 [0,1,0,0,0,0|1,0,2]=4 898 B11R0.2 CCCCCNC(=O)CC(=O)C b9f6fefcf600ebaa9b87d233da70a209 [0,1,0,0,0,0|1,0,1]=3 899 B11R0.2 CCCCCNC(=O)CC(=O)N 710f88fe373ae09649f4f4c926d58dc6 [0,1,0,0,0,0|2,0,1]=4 900 B11R0.2 CCCCCNC(=O)CC(C)C 692756888e78a392ba26d7edfbe106d1 [0,1,0,0,0,0|1,0,0]=2 901 B11R0.2 CCCCCNC(=O)CC(C)O a7310630ee05db8507d17f6f5635f1f7 [0,1,0,0,0,0|1,0,0]=2 902 B11R0.2 CCCCCNC(=O)CC(F)F 5f7634a729a8e19581f399337581a4e2 [0,1,0,0,0,0|2,0,0]=3 903 B11R0.2 CCCCCNC(=O)CN(C)C b4afbf5b3369d8b32020b069f1a97739 [0,1,0,0,0,0|2,0,0]=3 904 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 74bdad8f051e73e767c01c34354bb00a [0,1,0,0,0,0|1,0,0]=2 905 B11R0.2 CCCCCNC(=O)C[C@H](C)O 0641d6521812951e3665c5f041988d44 [0,1,0,0,0,0|1,0,0]=2 906 B11R0.2 CCCCCNC(C)CC(C)C c4740cb8d5b2eec8477f561dbc26c004 [0,1,0,0,0,0|2,0,1]=4 907 B11R0.2 CCCCCNC(C)CC(C)O 64648d0e2e8ea3834876aee95836a97d [0,1,0,0,0,0|2,0,1]=4 908 B11R0.2 CCCCCOC(C)CC(C)C be39f1add9f222b1159083d9fa6823a0 [0,1,0,0,0,0|1,0,1]=3 909 B11R0.2 CCCCCOC(C)CN(C)C 55f701948112b13d4a06dc7f6afbe318 [0,1,0,0,0,0|2,0,1]=4 910 B11R0.2 CCCCCO[C@@H](C)CC(C)C fb1ef9a0ecb52f623619cbd49cf4f2fa [0,1,0,0,0,0|1,0,1]=3 911 B11R0.2 CCCCCO[C@@H](C)CN(C)C 8ba96c9ae97bb156f45036d4fce275d8 [0,1,0,0,0,0|2,0,1]=4 912 B11R0.2 CCCCCO[C@H](C)CC(C)C 646deb2ca3d348336771ca933ec06dc5 [0,1,0,0,0,0|1,0,1]=3 913 B11R0.2 CCCCCO[C@H](C)CN(C)C ccd13b6e699ad762901cf6bf618e63fa [0,1,0,0,0,0|2,0,1]=4 914 B11R0.2 CCCCNCC(=O)CC(C)C d006389757a0c299b82d73977ac5807c [0,1,0,0,0,0|2,0,0]=3 915 B11R0.2 CCCCNCC(=O)NC(C)C d2a0a2d2be61063170c1cf443c992bf5 [0,1,0,0,0,0|3,0,0]=4 916 B11R0.2 CCCCNCC(=O)OC(C)C 0d93469e7c059200d74b3a7823278d8c [0,1,0,0,0,0|3,0,0]=4 917 B11R0.2 CCCCOCC(=O)CC(C)C 62a3b9dc30cfaf821d5bee4eb15dafce [0,1,0,0,0,0|2,0,0]=3 918 B11R0.2 CCCCOCC(=O)NC(C)C 10cd1ce0ae5762eecfdc0632dcc100b7 [0,1,0,0,0,0|3,0,0]=4 919 B11R0.2 CCCCOCC(=O)OC(C)C c8359866a0c386741b6f770b158ef158 [0,1,0,0,0,0|3,0,0]=4 920 B11R0.2 CCCNCCC(=O)NC(C)C cf28a83af0ce398bf164361553fccfdb [0,1,0,0,0,0|3,0,0]=4 921 B11R0.2 CCCNCCC(=O)OC(C)C 617b9bdc099c5dfc4a5db8b085d84bb1 [0,1,0,0,0,0|3,0,0]=4 922 B11R0.2 CCCNCOC(=O)CC(C)C 03b8532101a58edc6670b3ee855d793c [0,1,0,0,0,0|1,0,0]=2 923 B11R0.2 CCCNCOC(=O)OC(C)C 39af71b9c7ea7cbd553475d1b5af1789 [0,1,0,0,0,0|2,0,0]=3 924 B11R0.2 CCCOCCC(=O)NC(C)C b8e0a346d4801f48561d5f1260caff0e [0,1,0,0,0,0|3,0,0]=4 925 B11R0.2 CCCOCCC(=O)OC(C)C 2b4f838143f5a6f9d79fa2c191c7046a [0,1,0,0,0,0|3,0,0]=4 926 B11R0.2 CCCOCOC(=O)CC(C)C e5fa797e9f664b75ef33720be87bc236 [0,1,0,0,0,0|1,0,0]=2 927 B11R0.2 CCCOCOC(=O)OC(C)C 10f0b70ecab0462d31526dc903fbd9c7 [0,1,0,0,0,0|2,0,0]=3 928 B11R0.2 CCNCCNC(=O)NC(C)C 59bf82f35ddf6bb0e9ddcaaaf7036c29 [0,1,0,0,0,0|3,0,0]=4 929 B11R0.2 CCOCCNC(=O)CC(=O)C 97e748878c9c918ff48a4dddafbc85be [0,1,0,0,0,0|2,0,1]=4 930 B11R0.2 CCOCCNC(=O)CC(C)C cb162822ec16b8301c9a66a6a107d8a2 [0,1,0,0,0,0|2,0,0]=3 931 B11R0.2 CCOCCNC(=O)CC(C)O fd4466b818ee2c9986533eff19a5f286 [0,1,0,0,0,0|2,0,0]=3 932 B11R0.2 CCOCCNC(=O)CC(F)F 438d875816b1acff2a967c1a71b3fc39 [0,1,0,0,0,0|3,0,0]=4 933 B11R0.2 CCOCCNC(=O)CN(C)C 1ca4b4bc8401bb0b3ee04cda1b7b1f57 [0,1,0,0,0,0|3,0,0]=4 934 B11R0.2 CCOCCNC(=O)C[C@@H](C)O e8fb69fcde1b2631ba0c3bad607b375b [0,1,0,0,0,0|2,0,0]=3 935 B11R0.2 CCOCCNC(=O)C[C@H](C)O ddd6bd9aea43238095b575e5a9a008c3 [0,1,0,0,0,0|2,0,0]=3 936 B11R0.2 CCOCCOC(C)CC(C)C 59755fd227f743c4c689eb57a5cbb600 [0,1,0,0,0,0|2,0,1]=4 937 B11R0.2 CCOCCO[C@@H](C)CC(C)C 3327cd17e00fcfe361ba4d0faa3e0040 [0,1,0,0,0,0|2,0,1]=4 938 B11R0.2 CCOCCO[C@H](C)CC(C)C 5463f267aa64be4d6799db4ac3f87b64 [0,1,0,0,0,0|2,0,1]=4 939 B11R0.2 CCSCCNC(=O)CC(=O)C 058fbd45d9875b95ba96bdc2772e9faa [0,1,0,0,0,0|2,0,1]=4 940 B11R0.2 CCSCCNC(=O)CC(C)C 6a696d42ecea470a00c5d7ee065504bb [0,1,0,0,0,0|2,0,0]=3 941 B11R0.2 CCSCCNC(=O)CC(C)O 71abab4563844dea9cb7571a81a28b67 [0,1,0,0,0,0|2,0,0]=3 942 B11R0.2 CCSCCNC(=O)CC(F)F 3979eb70d9ab34db15c2c24f8eeac308 [0,1,0,0,0,0|3,0,0]=4 943 B11R0.2 CCSCCNC(=O)CN(C)C 9b237e84ea2a6537e4e119446003e7a0 [0,1,0,0,0,0|3,0,0]=4 944 B11R0.2 CCSCCNC(=O)C[C@@H](C)O b95fa1652ca1da94ac878099c1c745d3 [0,1,0,0,0,0|2,0,0]=3 945 B11R0.2 CCSCCNC(=O)C[C@H](C)O 50d078858b13aea0e29010cac3849b3b [0,1,0,0,0,0|2,0,0]=3 946 B11R0.2 CCSCCOC(C)CC(C)C 254782d794fb34e75590f377e6b6e237 [0,1,0,0,0,0|2,0,1]=4 947 B11R0.2 CCSCCO[C@@H](C)CC(C)C d3aa77a0183c132e47121187c7b33d3b [0,1,0,0,0,0|2,0,1]=4 948 B11R0.2 CCSCCO[C@H](C)CC(C)C 1538f8f76e258cc1f6f496375fb87b60 [0,1,0,0,0,0|2,0,1]=4 949 B11R0.2 CN(C)CC(=O)NCCCCCl c045fcc31806001073199f8e73cbf9f4 [0,1,0,0,0,0|3,0,0]=4 950 B11R0.2 CN(C)CC(=O)NCCCCO 8ab5d133fa57885ca79094b23b98cf70 [0,1,0,0,0,0|3,0,0]=4 951 B11R0.2 CN(C)CC(=O)NCCCCS eed8b0f109af7ec949b05bda2b4f43d6 [0,1,0,0,0,0|3,0,0]=4 952 B11R0.2 COCCCNC(=O)CC(=O)C 909ce9be81eadb274b19fd99e89d6b74 [0,1,0,0,0,0|2,0,1]=4 953 B11R0.2 COCCCNC(=O)CC(C)C a94ed003fb27e2ea2f0b33e661356322 [0,1,0,0,0,0|2,0,0]=3 954 B11R0.2 COCCCNC(=O)CC(C)O 9885c433e6138ea970f03a96d4d1b6f1 [0,1,0,0,0,0|2,0,0]=3 955 B11R0.2 COCCCNC(=O)CC(F)F f2974de3ffa75f0d17392b221b6a5416 [0,1,0,0,0,0|3,0,0]=4 956 B11R0.2 COCCCNC(=O)CN(C)C 8b956c665c6afbf280c0eac52c351ef1 [0,1,0,0,0,0|3,0,0]=4 957 B11R0.2 COCCCNC(=O)C[C@@H](C)O 10493194949c40bdf81a06d879615199 [0,1,0,0,0,0|2,0,0]=3 958 B11R0.2 COCCCNC(=O)C[C@H](C)O 491dc2516793026d61007932dc2c8f56 [0,1,0,0,0,0|2,0,0]=3 959 B11R0.2 COCCCOC(C)CC(C)C 8180904ee00e8234c35adc229954dae7 [0,1,0,0,0,0|2,0,1]=4 960 B11R0.2 COCCCO[C@@H](C)CC(C)C 57554b5a842639eff66d3ca412bb7701 [0,1,0,0,0,0|2,0,1]=4 961 B11R0.2 COCCCO[C@H](C)CC(C)C 58b12efdf7912d05e912dc9fef957db5 [0,1,0,0,0,0|2,0,1]=4 962 B11R0.2 COCCNCC(=O)CC(C)C 902434f8348206c2764617a1113ca601 [0,1,0,0,0,0|3,0,0]=4 963 B11R0.2 COCCOCC(=O)CC(C)C 9a10582487ad7620dee8636bece1596f [0,1,0,0,0,0|3,0,0]=4 964 B11R0.2 COCOCOC(=O)CC(C)C 686bd2e00759dbb1c7d536b20d2b9b6f [0,1,0,0,0,0|2,0,0]=3 965 B11R0.2 COCOCOC(=O)OC(C)C 276f225bf93c6ab5e043c7bd88538815 [0,1,0,0,0,0|3,0,0]=4 966 B11R0.2 CSCCCNC(=O)CC(=O)C e1a3d75a521cf12e1f677d697c8f0662 [0,1,0,0,0,0|2,0,1]=4 967 B11R0.2 CSCCCNC(=O)CC(C)C 59ff4945422dd3bd4f45807f6f1cf5f1 [0,1,0,0,0,0|2,0,0]=3 968 B11R0.2 CSCCCNC(=O)CC(C)O 4f06adbd1522e296d9bcc936bc677983 [0,1,0,0,0,0|2,0,0]=3 969 B11R0.2 CSCCCNC(=O)CC(F)F 89fc9ada99c3e2efabf9409d4cddb87b [0,1,0,0,0,0|3,0,0]=4 970 B11R0.2 CSCCCNC(=O)CN(C)C f7677c4146db76c661a40b31c8616801 [0,1,0,0,0,0|3,0,0]=4 971 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 560f57fd9a1e2926d9d81740345e1fbf [0,1,0,0,0,0|2,0,0]=3 972 B11R0.2 CSCCCNC(=O)C[C@H](C)O 1d7582670b933f8ffa2def677a754f70 [0,1,0,0,0,0|2,0,0]=3 973 B11R0.2 CSCCCOC(C)CC(C)C ebb440418af074d1fff3a7dc83743665 [0,1,0,0,0,0|2,0,1]=4 974 B11R0.2 CSCCCO[C@@H](C)CC(C)C cd41d4f33e4ddec76878cdc59c3ea143 [0,1,0,0,0,0|2,0,1]=4 975 B11R0.2 CSCCCO[C@H](C)CC(C)C ce44c1fc51a71431fc4470507ba1c9ac [0,1,0,0,0,0|2,0,1]=4 976 B11R0.2 CSCCNCC(=O)CC(C)C 64eded999511b81d3d23afc96406b800 [0,1,0,0,0,0|3,0,0]=4 977 B11R0.2 CSCCOCC(=O)CC(C)C ebe0a8de62432aef7b8d01556d334c20 [0,1,0,0,0,0|3,0,0]=4 978 B11R0.2 C[C@@H](O)CC(=O)NCCCC#N d45197887d35bdfb1d2855213b2a0784 [0,1,0,0,0,0|2,0,1]=4 979 B11R0.2 C[C@@H](O)CC(=O)NCCCCCl ffbdfb73f11ebc13eed18e75185e2dc6 [0,1,0,0,0,0|2,0,0]=3 980 B11R0.2 C[C@@H](O)CC(=O)NCCCCO b656f660e1ad30a1bba8ab14f099cc82 [0,1,0,0,0,0|2,0,0]=3 981 B11R0.2 C[C@@H](O)CC(=O)NCCCCS 0252a68104a58743ead6f67151a4dd3c [0,1,0,0,0,0|2,0,0]=3 982 B11R0.2 C[C@H](O)CC(=O)NCCCC#N 2569bc40b0b82860a57f3c1a5ed6948a [0,1,0,0,0,0|2,0,1]=4 983 B11R0.2 C[C@H](O)CC(=O)NCCCCCl 434e7a53ac3992dc383d99925d2ccfa7 [0,1,0,0,0,0|2,0,0]=3 984 B11R0.2 C[C@H](O)CC(=O)NCCCCO f0b7e597124b088bc45d4bae845bd7ea [0,1,0,0,0,0|2,0,0]=3 985 B11R0.2 C[C@H](O)CC(=O)NCCCCS beb6ce9d542c36642e9b64da17e441df [0,1,0,0,0,0|2,0,0]=3 986 B11R0.2 O=C(CC(F)F)NCCCCCl 34f86141d2d05624eeb0cf70ff94cc6f [0,1,0,0,0,0|3,0,0]=4 987 B11R0.2 O=C(CC(F)F)NCCCCO 067be533b10f2da9c08f68e681db148a [0,1,0,0,0,0|3,0,0]=4 988 B11R0.2 O=C(CC(F)F)NCCCCS 80930e6985a743c78bfb4869400d0151 [0,1,0,0,0,0|3,0,0]=4 989 B11R0.4 C#CCC(=O)NCCCCCC 78d69b0891860d5affdc4888b8ef7d70 [0,1,0,0,0,0|1,0,2]=4 990 B11R0.4 C#CCC(=O)NCCCCCCl 85a75402eaa6b6cb172789e81bb26ae2 [0,1,0,0,0,0|1,0,2]=4 991 B11R0.4 C#CCC(=O)NCCCCCO 936e488b36ab67e3f609266f5ee20932 [0,1,0,0,0,0|1,0,2]=4 992 B11R0.4 C#CCC(=O)NCCCCOC 67ae9505ec0f3578169a52a54c9095a9 [0,1,0,0,0,0|1,0,2]=4 993 B11R0.4 C#CCC(=O)NCCCCSC a4f7abc687aaeab7d012c08628f61b24 [0,1,0,0,0,0|1,0,2]=4 994 B11R0.4 C#CCC(=O)NCCCOCC 780e96af840b6e897c807abbdf6ff2fa [0,1,0,0,0,0|1,0,2]=4 995 B11R0.4 C#CCC(=O)NCCOCCC 077fb72f25c4c238d24975e14fa19b8b [0,1,0,0,0,0|1,0,2]=4 996 B11R0.4 C#CCCCCNC(=O)CCC 1c9f70bc67621f7e49a5d1e65ddf43fd [0,1,0,0,0,0|1,0,1]=3 997 B11R0.4 C#CCCCCNC(=O)CCF b269671c9807062bd839d14f39366656 [0,1,0,0,0,0|2,0,1]=4 998 B11R0.4 C#CCCCCNC(=O)CCO 3ffc28dea9c65f6dd6ade9fb25584e4d [0,1,0,0,0,0|2,0,1]=4 999 B11R0.4 C#CCCCCNC(=O)CCS 116d14af52115783cec524e8526ac28a [0,1,0,0,0,0|2,0,1]=4 1000 B11R0.4 C#CCCCCNC(=O)COC ff379d9835f579f8395e118030f9121d [0,1,0,0,0,0|2,0,1]=4 1001 B11R0.4 C#CCCCCNC(=O)CSC 4a0ba3dc47161ba8b9c8c2d08c8b01e9 [0,1,0,0,0,0|2,0,1]=4 1002 B11R0.4 C#CCCCCOC(=S)CCC 21dd01e601ae3b5ae3e4fc3f40ed41fe [0,1,0,0,0,0|0,1,1]=3 1003 B11R0.4 C#CCCCCOC(C)CCC 634dab436e5a6cb7d4a4a05b3d65bb97 [0,1,0,0,0,0|1,0,2]=4 1004 B11R0.4 C#CCCCCO[C@@H](C)CCC c177c2c2a67950e0ad1b4fa33d4ba1ed [0,1,0,0,0,0|1,0,2]=4 1005 B11R0.4 C#CCCCCO[C@H](C)CCC 1ddbb4cc247f9b170b12a029e0a71224 [0,1,0,0,0,0|1,0,2]=4 1006 B11R0.4 C#CCCCNCC(=O)CCC 439ae97b44783eb67030b10634a70ea5 [0,1,0,0,0,0|1,0,2]=4 1007 B11R0.4 C#CCCCOCC(=O)CCC 4b0c78afda647305952ad8cc8708def6 [0,1,0,0,0,0|0,0,2]=3 1008 B11R0.4 C#CCCCOCC(=O)NCC d0a363b80827dcf0d7934e112fe9f045 [0,1,0,0,0,0|1,0,2]=4 1009 B11R0.4 C#CCCCOCC(=O)OCC 79028ec6745e06c6d33d633556c19fe3 [0,1,0,0,0,0|1,0,2]=4 1010 B11R0.4 C#CCCNCOC(=O)CCC 9d11b6a07b1a287edc0ce6f867052e08 [0,1,0,0,0,0|0,0,2]=3 1011 B11R0.4 C#CCCNCOC(=O)OCC 5c24b2ce2a6e285185aa821af5d47ef3 [0,1,0,0,0,0|1,0,2]=4 1012 B11R0.4 C#CCCNCOC(=O)SCC d294864d77eee178fe775179bfdea169 [0,1,0,0,0,0|1,0,2]=4 1013 B11R0.4 C#CCCOCOC(=O)CCC db97b757e2c43ba4f242a755abf7c899 [0,1,0,0,0,0|0,0,2]=3 1014 B11R0.4 C#CCCOCOC(=O)OCC 3d50598177771eeda451700ddf031507 [0,1,0,0,0,0|1,0,2]=4 1015 B11R0.4 C#CCCOCOC(=O)SCC ae54b4510540719014dde9dd4df07c96 [0,1,0,0,0,0|1,0,2]=4 1016 B11R0.4 C#CCOCCNC(=O)CCC e1ac13de29e6fb398c226ebb6ff25a93 [0,1,0,0,0,0|1,0,2]=4 1017 B11R0.4 C#CCOCCOC(=O)CCC 3fce535dccc5c7087dfa1c84ea2e8dd4 [0,1,0,0,0,0|0,0,2]=3 1018 B11R0.4 C#CCOCCOC(=S)CCC 7ae4ab4e46af215f1d37e5c215485ddd [0,1,0,0,0,0|0,1,2]=4 1019 B11R0.4 C/C=C/C(=O)NCCCCCC 377f28d02111af193298308d162007ca [0,1,0,0,0,0|1,0,2]=4 1020 B11R0.4 C/C=C/C(=O)NCCCCCCl dbf146985508b2619edfbb9891917680 [0,1,0,0,0,0|1,0,2]=4 1021 B11R0.4 C/C=C/C(=O)NCCCCCO 41b75d86fd8969e697df5b2792cef688 [0,1,0,0,0,0|1,0,2]=4 1022 B11R0.4 C/C=C/C(=O)NCCCCOC 5a212840bc7feb3f837451a6a7ca675f [0,1,0,0,0,0|1,0,2]=4 1023 B11R0.4 C/C=C/C(=O)NCCCCSC cb208d20749c46a440625a449058e05c [0,1,0,0,0,0|1,0,2]=4 1024 B11R0.4 C/C=C/C(=O)NCCCOCC 454f2096c50426281e539fb96b7c947e [0,1,0,0,0,0|1,0,2]=4 1025 B11R0.4 C/C=C/C(=O)NCCOCCC 962cb3f7927c09a58d16a2f7de5f658e [0,1,0,0,0,0|1,0,2]=4 1026 B11R0.4 C/C=C/CCCOC(C)CCC 8358ebf24003def3f85c1da708a1a527 [0,1,0,0,0,0|1,0,2]=4 1027 B11R0.4 C/C=C/CCOCC(=O)CCC edf49135ac9aa378690e2be412736a8b [0,1,0,0,0,0|0,0,2]=3 1028 B11R0.4 C/C=C/CCOCC(=O)COC 93cc8bd3578c1731401b2533b87d0a21 [0,1,0,0,0,0|1,0,2]=4 1029 B11R0.4 C/C=C/CCOCC(=O)NCC 1b3e9c9094ca771bc96a2f7a8ba36fae [0,1,0,0,0,0|1,0,2]=4 1030 B11R0.4 C/C=C/CCOCC(=O)OCC dddb846dcf599b8ddd65e79957de428b [0,1,0,0,0,0|1,0,2]=4 1031 B11R0.4 C/C=C/COCOC(=O)CCC f2411588f1369adfbdb024099738f1a1 [0,1,0,0,0,0|0,0,2]=3 1032 B11R0.4 C/C=C/COCOC(=O)OCC fa24e6cc8ffd805f012ad1acfabcafa0 [0,1,0,0,0,0|1,0,2]=4 1033 B11R0.4 C/C=C/COCOC(=O)SCC 72d6c30b759613f152f9904a596b37e3 [0,1,0,0,0,0|1,0,2]=4 1034 B11R0.4 C/C=C\CCCOC(=S)CCC 2a40e8e0ad4571657160411f8ee6cf06 [0,1,0,0,0,0|0,1,1]=3 1035 B11R0.4 C/C=C\CCCOC(C)CCC c911121ef6b9362a32a9bcf7810ffc16 [0,1,0,0,0,0|1,0,2]=4 1036 B11R0.4 C/C=C\CCCO[C@@H](C)CCC e7f84084a0645c57b6bd2644cd3fc31a [0,1,0,0,0,0|1,0,2]=4 1037 B11R0.4 C/C=C\CCCO[C@H](C)CCC fdf82199e9ceaf41cad8965c0456c9db [0,1,0,0,0,0|1,0,2]=4 1038 B11R0.4 C/C=C\COCOC(=O)CCC 170a0af95d4fe0b0cea6708fe48330ca [0,1,0,0,0,0|0,0,2]=3 1039 B11R0.4 C/C=C\COCOC(=O)OCC 1c78e5f2548bcccd3ebdf350eb3e2bd4 [0,1,0,0,0,0|1,0,2]=4 1040 B11R0.4 C/C=C\COCOC(=O)SCC 63394cea812a7e9c80e54b55c6daba98 [0,1,0,0,0,0|1,0,2]=4 1041 B11R0.4 C=C=CCCOCC(=O)CCC cc8a77673f84a9096d61063d852b08af [0,1,0,0,0,0|0,0,3]=4 1042 B11R0.4 C=CCC(=O)NCCCCCC d46661bf423214425230279ca4e72208 [0,1,0,0,0,0|1,0,2]=4 1043 B11R0.4 C=CCC(=O)NCCCCCCl a2695543f857b0db6f2d0a34cfc46442 [0,1,0,0,0,0|1,0,2]=4 1044 B11R0.4 C=CCC(=O)NCCCCCO 5ec753bcff99b57c19bd3fcdd35bd6ec [0,1,0,0,0,0|1,0,2]=4 1045 B11R0.4 C=CCC(=O)NCCCCOC ff770ce1f50ea6c20406b9f5a6b93bc1 [0,1,0,0,0,0|1,0,2]=4 1046 B11R0.4 C=CCC(=O)NCCCCSC be79a01c671c48227cc0aecd4fbaea8b [0,1,0,0,0,0|1,0,2]=4 1047 B11R0.4 C=CCC(=O)NCCCOCC a10f880a541209442af9775cdb1f5976 [0,1,0,0,0,0|1,0,2]=4 1048 B11R0.4 C=CCC(=O)NCCOCCC 5ad2560a6adfd80a20d436b4c454c60b [0,1,0,0,0,0|1,0,2]=4 1049 B11R0.4 C=CCCCCNC(=O)CCC efe27321302e0e7a4f51f8d85ca046a0 [0,1,0,0,0,0|1,0,1]=3 1050 B11R0.4 C=CCCCCNC(=O)CCF 385b87ff16afe1911ab646875e80c316 [0,1,0,0,0,0|2,0,1]=4 1051 B11R0.4 C=CCCCCNC(=O)CCO b1f8b2f4fa3d1feef8431275da25871d [0,1,0,0,0,0|2,0,1]=4 1052 B11R0.4 C=CCCCCNC(=O)CCS d9db2fd9d4c109e782c183dee367af97 [0,1,0,0,0,0|2,0,1]=4 1053 B11R0.4 C=CCCCCNC(=O)COC 24eb11a193ac5036c45c7589ce019623 [0,1,0,0,0,0|2,0,1]=4 1054 B11R0.4 C=CCCCCNC(=O)CSC 8c4eb88f956444105c7ea47a196a940e [0,1,0,0,0,0|2,0,1]=4 1055 B11R0.4 C=CCCCCOC(=S)CCC 460dc5e4b9fd884329c2736daed4e630 [0,1,0,0,0,0|0,1,1]=3 1056 B11R0.4 C=CCCCCOC(C)CCC 904e41310c8cbc0a681a15ec74fa5970 [0,1,0,0,0,0|1,0,2]=4 1057 B11R0.4 C=CCCCCO[C@@H](C)CCC b5154b440897ea912ac351b6a59d7e56 [0,1,0,0,0,0|1,0,2]=4 1058 B11R0.4 C=CCCCCO[C@H](C)CCC 51cb3dae593cfbcf97789a914d8f0b9d [0,1,0,0,0,0|1,0,2]=4 1059 B11R0.4 C=CCCCNCC(=O)CCC 131b50058eed3223045aedb1956f324e [0,1,0,0,0,0|1,0,2]=4 1060 B11R0.4 C=CCCCOCC(=O)CCC 11c403cf194cee121202a22f8b5f7c50 [0,1,0,0,0,0|0,0,2]=3 1061 B11R0.4 C=CCCCOCC(=O)COC 7d1615f946061a8152a85c0c0274d00f [0,1,0,0,0,0|1,0,2]=4 1062 B11R0.4 C=CCCCOCC(=O)NCC 1a5ed3ba2e858de85fc2764c07cab5b0 [0,1,0,0,0,0|1,0,2]=4 1063 B11R0.4 C=CCCCOCC(=O)OCC 485ef7d3d8f63daf0b17d5bbdaf3c3a0 [0,1,0,0,0,0|1,0,2]=4 1064 B11R0.4 C=CCCNCOC(=O)CCC cdb12e6d3e18ff616ce0067ad272f327 [0,1,0,0,0,0|0,0,2]=3 1065 B11R0.4 C=CCCNCOC(=O)OCC 3933ce142d5a74d0dc9e5d971c790a35 [0,1,0,0,0,0|1,0,2]=4 1066 B11R0.4 C=CCCNCOC(=O)SCC f5cf41c907582243016aee3f2e607d37 [0,1,0,0,0,0|1,0,2]=4 1067 B11R0.4 C=CCCOCOC(=O)CCC 1b8a37eac1c04934006ce3e0bc6ff9c3 [0,1,0,0,0,0|0,0,2]=3 1068 B11R0.4 C=CCCOCOC(=O)OCC 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B11R0.4 CC#CC(=O)NCCCOCC 26717875477e5aac9ebbf962c4922f69 [0,1,0,0,0,0|1,0,2]=4 1081 B11R0.4 CC#CC(=O)NCCOCCC cbf30a1a6c0e2a19cacd50850a5609a7 [0,1,0,0,0,0|1,0,2]=4 1082 B11R0.4 CC#CCCCOC(C)CCC 33fa9ac1fdf590ac13796f40e1f1d80f [0,1,0,0,0,0|1,0,2]=4 1083 B11R0.4 CC#CCCOCC(=O)CCC 41b88f02c1300cf39e191c1d9d586023 [0,1,0,0,0,0|0,0,2]=3 1084 B11R0.4 CC#CCCOCC(=O)COC 506857f48a78e364d5968da9b27dfd19 [0,1,0,0,0,0|1,0,2]=4 1085 B11R0.4 CC#CCCOCC(=O)NCC 4a958252893a503bc06da6355969ddd4 [0,1,0,0,0,0|1,0,2]=4 1086 B11R0.4 CC#CCCOCC(=O)OCC 865d2a8cf4581450b557e61bf72b52f6 [0,1,0,0,0,0|1,0,2]=4 1087 B11R0.4 CC#CCNCOC(=O)OCC 97b2f7e98120d8882e557a74942a6d33 [0,1,0,0,0,0|1,0,2]=4 1088 B11R0.4 CC#CCNCOC(=O)SCC 52e2e38cc0f9f2f008502159a47d6a97 [0,1,0,0,0,0|1,0,2]=4 1089 B11R0.4 CC#CCOCOC(=O)CCC 9d96dce5f8243e2110e1f2ae563966d8 [0,1,0,0,0,0|0,0,2]=3 1090 B11R0.4 CC#CCOCOC(=O)OCC b7eb94957e4494f57c3d070dd083cf8f [0,1,0,0,0,0|1,0,2]=4 1091 B11R0.4 CC#CCOCOC(=O)SCC 4bf292d8a80917d0a661b0f7b4c02a29 [0,1,0,0,0,0|1,0,2]=4 1092 B11R0.4 CC/C=C/CCOC(C)CCC 50c9714d31d7e32c45b3a073bcf57f7b [0,1,0,0,0,0|1,0,2]=4 1093 B11R0.4 CC/C=C/COCC(=O)CCC 0ee30c75f92cfc997a167a875da0ee84 [0,1,0,0,0,0|0,0,2]=3 1094 B11R0.4 CC/C=C/COCC(=O)COC 91a7222484d894438d600111803c7993 [0,1,0,0,0,0|1,0,2]=4 1095 B11R0.4 CC/C=C/COCC(=O)NCC 101bd4459e572ed3ab5f5f4368c54f87 [0,1,0,0,0,0|1,0,2]=4 1096 B11R0.4 CC/C=C/COCC(=O)OCC 28c64a1882eaab6396b7fc761588a502 [0,1,0,0,0,0|1,0,2]=4 1097 B11R0.4 CC/C=C\CCOC(=S)CCC 8664b7e83444405155dedb5fe22a1676 [0,1,0,0,0,0|0,1,1]=3 1098 B11R0.4 CC/C=C\CCOC(C)CCC 4d32216db9adefae9e2d273dc5ae1e26 [0,1,0,0,0,0|1,0,2]=4 1099 B11R0.4 CC/C=C\CCO[C@@H](C)CCC faacc9874935040b4b9721a8253fdf47 [0,1,0,0,0,0|1,0,2]=4 1100 B11R0.4 CC/C=C\CCO[C@H](C)CCC 3a30f30f122410c5b8ca02be0537e8d1 [0,1,0,0,0,0|1,0,2]=4 1101 B11R0.4 CC/C=C\COCC(=O)CCC fa5eb9ed59652a0c74b582d27c0bc384 [0,1,0,0,0,0|0,0,2]=3 1102 B11R0.4 CC/C=C\COCC(=O)COC 64645abaad07a10f65e7e40ecd0c21a6 [0,1,0,0,0,0|1,0,2]=4 1103 B11R0.4 CC/C=C\COCC(=O)NCC 7d0cc1e826ed110a821ca22423aa94d2 [0,1,0,0,0,0|1,0,2]=4 1104 B11R0.4 CC/C=C\COCC(=O)OCC 8557fa2a0d7d7f04e53408c6a9dccf2a [0,1,0,0,0,0|1,0,2]=4 1105 B11R0.4 CC=CCCCOC(C)CCC e2559d18a78240142453497cf7bc4f92 [0,1,0,0,0,0|1,0,2]=4 1106 B11R0.4 CC=CCNCOC(=O)CCC 02b5daca00f1cd7b7787e862d518ade0 [0,1,0,0,0,0|0,0,2]=3 1107 B11R0.4 CC=CCNCOC(=O)OCC 0ad0fc06b8ae2df4a5e9aab48e4012d9 [0,1,0,0,0,0|1,0,2]=4 1108 B11R0.4 CC=CCNCOC(=O)SCC 22b6a7c2aeb358dd34d76168f3477303 [0,1,0,0,0,0|1,0,2]=4 1109 B11R0.4 CC=CCOCOC(=O)CCC 8106e05b7238bfcb565611068e956eb7 [0,1,0,0,0,0|0,0,2]=3 1110 B11R0.4 CC=CCOCOC(=O)OCC 8b9ef0c230776ed62d90dc62e3912a52 [0,1,0,0,0,0|1,0,2]=4 1111 B11R0.4 CC=CCOCOC(=O)SCC c89be7baeafb553e698f5d5469424a69 [0,1,0,0,0,0|1,0,2]=4 1112 B11R0.4 CCC#CCCOC(C)CCC 695327d2e3e74451eaa58d18e0c9d4de [0,1,0,0,0,0|1,0,2]=4 1113 B11R0.4 CCC#CCOCC(=O)CCC f9c742e7feaedef1561d60ed0acfa352 [0,1,0,0,0,0|0,0,2]=3 1114 B11R0.4 CCC#CCOCC(=O)NCC 0d12a8aa598540c78264704166d035a9 [0,1,0,0,0,0|1,0,2]=4 1115 B11R0.4 CCC#CCOCC(=O)OCC caf79d936f083c2dd48af04f54029d1d [0,1,0,0,0,0|1,0,2]=4 1116 B11R0.4 CCC/C=C/COC(=S)CCC 84e6bd98219cbc3305a88b7fb9a62b9a [0,1,0,0,0,0|0,1,1]=3 1117 B11R0.4 CCC/C=C/COC(C)CCC 52bf4cfce8f73483f2ae3b92b65143e4 [0,1,0,0,0,0|1,0,2]=4 1118 B11R0.4 CCC/C=C/CO[C@@H](C)CCC c498ed3ad20023733b9cf054ca443a58 [0,1,0,0,0,0|1,0,2]=4 1119 B11R0.4 CCC/C=C/CO[C@H](C)CCC 14667032e5e89b0073a1b7bc8003c6be [0,1,0,0,0,0|1,0,2]=4 1120 B11R0.4 CCC/C=C\COC(=S)CCC f5e4e90cebb3e70405fb00f0e0f0da98 [0,1,0,0,0,0|0,1,1]=3 1121 B11R0.4 CCC/C=C\COC(C)CCC 122230b083304d85fc645e1188c3e495 [0,1,0,0,0,0|1,0,2]=4 1122 B11R0.4 CCC/C=C\CO[C@@H](C)CCC 90724833647d30ebd94bfb3ec8533ddf [0,1,0,0,0,0|1,0,2]=4 1123 B11R0.4 CCC/C=C\CO[C@H](C)CCC 0232858e0a19aea211802d7753f8acad [0,1,0,0,0,0|1,0,2]=4 1124 B11R0.4 CCCC#CCOC(C)CCC fe4bf0b39d8a7b4381eafa76f513bb9b [0,1,0,0,0,0|1,0,2]=4 1125 B11R0.4 CCCC(=O)CNCCCC#N 270725583a1f4b3eb403139ee0a0e781 [0,1,0,0,0,0|2,0,1]=4 1126 B11R0.4 CCCC(=O)CNCCCCCl eab75eb76e050ff606d45cb462dfc619 [0,1,0,0,0,0|2,0,0]=3 1127 B11R0.4 CCCC(=O)CNCCCCO ad77a490abf61282724383d41a85bcf1 [0,1,0,0,0,0|2,0,0]=3 1128 B11R0.4 CCCC(=O)CNCCCCS e85bc6bf694af912c711da19bb5a782b [0,1,0,0,0,0|2,0,0]=3 1129 B11R0.4 CCCC(=O)CNCCCOC 0e59969c240f5b3912e3994d8101cd6e [0,1,0,0,0,0|2,0,0]=3 1130 B11R0.4 CCCC(=O)CNCCCSC e56c7955cad9c9867d5d9d758ac8a8a8 [0,1,0,0,0,0|2,0,0]=3 1131 B11R0.4 CCCC(=O)CNCCOCC bd26703d718b449a7cdecdca03a5ba7b [0,1,0,0,0,0|2,0,0]=3 1132 B11R0.4 CCCC(=O)CNCCSCC 1b1ae1141fffdbaa6cd48f1962c5627f [0,1,0,0,0,0|2,0,0]=3 1133 B11R0.4 CCCC(=O)COCCCC#N 42a07ee847d28b0b7b97cf65a0a7d85d [0,1,0,0,0,0|1,0,1]=3 1134 B11R0.4 CCCC(=O)COCCCC=O 1060d82f95085d8111c535d571bbd15b [0,1,0,0,0,0|1,0,1]=3 1135 B11R0.4 CCCC(=O)COCCCCF 3974a9388e326593932de6d27a247031 [0,1,0,0,0,0|1,0,0]=2 1136 B11R0.4 CCCC(=O)COCCCCS 16df68ac857aff6b4b10c5ebb32168f0 [0,1,0,0,0,0|1,0,0]=2 1137 B11R0.4 CCCC(=O)COCCCOC ab1fda823cbfd31b40ec505f8a02fb90 [0,1,0,0,0,0|1,0,0]=2 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B11R0.4 CCCCOCOC(=S)CCC c21ba10898477f356b122da4cbbceb6f [0,1,0,0,0,0|0,1,0]=2 1257 B11R0.4 CCCCOCOC(C)CCC 0a4bb62dbc4cfedab12fd971dbe21ee1 [0,1,0,0,0,0|1,0,1]=3 1258 B11R0.4 CCCCOCOC(C)COC 9e6342bedd4eb0c80223b1554d4ec5c7 [0,1,0,0,0,0|2,0,1]=4 1259 B11R0.4 CCCCOCOC(C)CSC e90630574e7557b722cc0dcd19f6c328 [0,1,0,0,0,0|2,0,1]=4 1260 B11R0.4 CCCCOCO[C@@H](C)CCC 3ae7f2326c6dcb1799bf845878cdbc74 [0,1,0,0,0,0|1,0,1]=3 1261 B11R0.4 CCCCOCO[C@@H](C)COC 716607277c7a561d3f87f867e3b0710f [0,1,0,0,0,0|2,0,1]=4 1262 B11R0.4 CCCCOCO[C@H](C)CCC 4c7bf02695cb84868576521334a48dd0 [0,1,0,0,0,0|1,0,1]=3 1263 B11R0.4 CCCCOCO[C@H](C)COC e79b9b6cd73fdc328389db8cc4c84e9f [0,1,0,0,0,0|2,0,1]=4 1264 B11R0.4 CCCN(C)CCCCCCF a601c857b4403d63cc5d582bc896bcaa [0,1,0,0,0,0|3,0,0]=4 1265 B11R0.4 CCCN(C)CCCCCCO 7b2e6e9a2805e1f19dc02fa5859816c2 [0,1,0,0,0,0|3,0,0]=4 1266 B11R0.4 CCCN(C)CCCCCOC 17a2722347627b071daca0384c1b1f44 [0,1,0,0,0,0|3,0,0]=4 1267 B11R0.4 CCCNC/C=C/C(=O)OCC 9227ee03ea2d9d1e18a696527b8f47b5 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784976a9f6c554bfef5890d22be8c3ae [0,1,0,0,0,0|2,0,0]=3 1280 B11R0.4 CCCOCCNC(=O)CCO 6d308239c94ac8e860e2d79889c8facb [0,1,0,0,0,0|2,0,0]=3 1281 B11R0.4 CCCOCCNC(=O)CCS 0b663011faafdf6c4131448ce79c937a [0,1,0,0,0,0|2,0,0]=3 1282 B11R0.4 CCCOCCNC(=O)COC 6067c71ef34c0399492ad8122c06202c [0,1,0,0,0,0|2,0,0]=3 1283 B11R0.4 CCCOCCNC(=O)CON a7918d286952c9dd1f121c3571c9c3dc [0,1,0,0,0,0|3,0,0]=4 1284 B11R0.4 CCCOCCNC(=O)CSC 6996763b3846009de64b111c96742018 [0,1,0,0,0,0|2,0,0]=3 1285 B11R0.4 CCCOCCNC(C)CCC 31e8d7c8653fe82d02ce2954b5bcd9ab [0,1,0,0,0,0|2,0,1]=4 1286 B11R0.4 CCCOCCN[C@@H](C)CCC d1698bdebe5ab6544c48057e9e0adf00 [0,1,0,0,0,0|2,0,1]=4 1287 B11R0.4 CCCOCCOC(=O)CCC 94efe85d85fae3af0976a73792f0222f [0,1,0,0,0,0|0,0,0]=1 1288 B11R0.4 CCCOCCOC(=S)CCC 95a4dad7fc3b1d357922e071080ce62e [0,1,0,0,0,0|0,1,0]=2 1289 B11R0.4 CCCOCCOC(C)CCC 0718f8788045b926ec65216173e53bce [0,1,0,0,0,0|1,0,1]=3 1290 B11R0.4 CCCOCCOC(C)COC cec5c66a369cad4235e8aa9e9b8a796d [0,1,0,0,0,0|2,0,1]=4 1291 B11R0.4 CCCOCCOC(C)CSC 70a657ea0fecb74167fdc2758b57d321 [0,1,0,0,0,0|2,0,1]=4 1292 B11R0.4 CCCOCCO[C@@H](C)CCC 42bbc03cca2630aa13580adad71d1be6 [0,1,0,0,0,0|1,0,1]=3 1293 B11R0.4 CCCOCCO[C@@H](C)COC a6157ed930c35332a3027c7c7d259ba7 [0,1,0,0,0,0|2,0,1]=4 1294 B11R0.4 CCCOCCO[C@H](C)CCC 28ee10e8884a7bb06ea5329ce5b20582 [0,1,0,0,0,0|1,0,1]=3 1295 B11R0.4 CCCOCCO[C@H](C)COC 47c57d860028f2344e3996a8f123f214 [0,1,0,0,0,0|2,0,1]=4 1296 B11R0.4 CCCSCCOC(C)CCC 17743df72a9dba4df426cc8297e4d5b2 [0,1,0,0,0,0|1,0,1]=3 1297 B11R0.4 CCCSCCOC(C)COC dc324b16b3a143519ca5152c7dda0db4 [0,1,0,0,0,0|2,0,1]=4 1298 B11R0.4 CCC[C@@H](C)OCCCCC#N 76dc9094b81c35aec3cebeb601296910 [0,1,0,0,0,0|1,0,2]=4 1299 B11R0.4 CCC[C@@H](C)OCCCCC=O 033210babc7ebfe5abe9bcc3934a56ae [0,1,0,0,0,0|1,0,2]=4 1300 B11R0.4 CCC[C@@H](C)OCCCCCF 59e159490da5ab17ab8d2a0f32480be8 [0,1,0,0,0,0|1,0,1]=3 1301 B11R0.4 CCC[C@@H](C)OCCCCOC 629efafb6735378a7f4ed1f3be5e2919 [0,1,0,0,0,0|1,0,1]=3 1302 B11R0.4 CCC[C@@H](C)OCCCOCC 1e53ecf5115d81f9df80c3e1d1926c21 [0,1,0,0,0,0|1,0,1]=3 1303 B11R0.4 CCC[C@@H](C)OCCCSCC cd562550a503eed8476b3f81d5633369 [0,1,0,0,0,0|1,0,1]=3 1304 B11R0.4 CCC[C@@H](C)OCCOCOC 67ce7158d410898615809b6eb2fb2040 [0,1,0,0,0,0|2,0,1]=4 1305 B11R0.4 CCC[C@@H](C)OCOCCOC 3ca4f544a0d5e7c691405f753dfe09a4 [0,1,0,0,0,0|2,0,1]=4 1306 B11R0.4 CCC[C@H](C)NCCCCCF 2bbe48de21957a7e0abb89e304291bbe [0,1,0,0,0,0|2,0,1]=4 1307 B11R0.4 CCC[C@H](C)NCCCCCO 9145428cec86525735d1e0f47d1ced44 [0,1,0,0,0,0|2,0,1]=4 1308 B11R0.4 CCC[C@H](C)NCCCCOC 9833bb351d8689497c469a9016668ef3 [0,1,0,0,0,0|2,0,1]=4 1309 B11R0.4 CCC[C@H](C)NCCCOCC 0d95e53020889f27f221de40f41e5453 [0,1,0,0,0,0|2,0,1]=4 1310 B11R0.4 CCC[C@H](C)NCCCSCC 18cc66a8ba46586d83e512575401b552 [0,1,0,0,0,0|2,0,1]=4 1311 B11R0.4 CCC[C@H](C)OCCCCC#N 3dbeb60574c991df86d8044e6672f92b [0,1,0,0,0,0|1,0,2]=4 1312 B11R0.4 CCC[C@H](C)OCCCCC=O 7227fc07ecb170decb561add9373e421 [0,1,0,0,0,0|1,0,2]=4 1313 B11R0.4 CCC[C@H](C)OCCCCCF cab5e6c0db3ebbd4ff89649a43a82ddd [0,1,0,0,0,0|1,0,1]=3 1314 B11R0.4 CCC[C@H](C)OCCCCOC bd1318dc989f36034fec620f437bf532 [0,1,0,0,0,0|1,0,1]=3 1315 B11R0.4 CCC[C@H](C)OCCCOCC a00fa3182be3ac26a6996d18666edffa [0,1,0,0,0,0|1,0,1]=3 1316 B11R0.4 CCC[C@H](C)OCCCSCC 391aa571532fdb69042ce571d91e647d [0,1,0,0,0,0|1,0,1]=3 1317 B11R0.4 CCC[C@H](C)OCCOCOC c3a0b1e01e064d9e7b6b46ccf64563ec [0,1,0,0,0,0|2,0,1]=4 1318 B11R0.4 CCC[C@H](C)OCOCCOC 9a2c5b044261d725270d95b9fced51ce [0,1,0,0,0,0|2,0,1]=4 1319 B11R0.4 CCNC(=O)CCNCCCCl 239ec7f962e67f16d9e86beea403df9f [0,1,0,0,0,0|3,0,0]=4 1320 B11R0.4 CCNC(=O)CCNCCCO 1907e010da6f85eee7e5206941d1acbc [0,1,0,0,0,0|3,0,0]=4 1321 B11R0.4 CCNC(=O)CCNCCOC 2a40ac8e37c41f3c5eb1c4f2741adc1e [0,1,0,0,0,0|3,0,0]=4 1322 B11R0.4 CCNC(=O)CCNCCSC 7df7f54e9d458709c585256c5ef5b446 [0,1,0,0,0,0|3,0,0]=4 1323 B11R0.4 CCNC(=O)CCOCCCF b6ee2c391d4b62370c7abdd303507ede [0,1,0,0,0,0|3,0,0]=4 1324 B11R0.4 CCNC(=O)CCOCCCS 702465c093be781a6054e5bc985bee27 [0,1,0,0,0,0|3,0,0]=4 1325 B11R0.4 CCNC(=O)CCOCCOC 5fad450ddee06ba16e4d1593ea819f1b [0,1,0,0,0,0|3,0,0]=4 1326 B11R0.4 CCNC(=O)CCOCCSC d94fe0c1fb6d5ec136edfcb9404e797a [0,1,0,0,0,0|3,0,0]=4 1327 B11R0.4 CCNC(=O)CNCCCCCl 2c741f65a4ddc84f36f48340c60841fa [0,1,0,0,0,0|3,0,0]=4 1328 B11R0.4 CCNC(=O)CNCCCCF d7ff0d8def61bd465e79122b9fda94c3 [0,1,0,0,0,0|3,0,0]=4 1329 B11R0.4 CCNC(=O)CNCCCCO 311d18be60be25a5eec54d328336a9aa [0,1,0,0,0,0|3,0,0]=4 1330 B11R0.4 CCNC(=O)CNCCCCS bf77ec72f44ae6651fb9f8e84d58bffe [0,1,0,0,0,0|3,0,0]=4 1331 B11R0.4 CCNC(=O)CNCCCOC e3320ba4e42b3b4f19d120952c52dbcd [0,1,0,0,0,0|3,0,0]=4 1332 B11R0.4 CCNC(=O)CNCCCSC 152709079d3eac8e905922189201639f [0,1,0,0,0,0|3,0,0]=4 1333 B11R0.4 CCNC(=O)CNCCOCC 5054eaddee45e00aa8ca2a4e5ad2b7cb [0,1,0,0,0,0|3,0,0]=4 1334 B11R0.4 CCNC(=O)CNCCSCC f10b6e80e416499fd1717e9f956611bf [0,1,0,0,0,0|3,0,0]=4 1335 B11R0.4 CCNC(=O)COCCCC#N 008bc94eb34cac3ecbb91f63de56d9ef [0,1,0,0,0,0|2,0,1]=4 1336 B11R0.4 CCNC(=O)COCCCC=O e6eb634413be7da311d43fb39e95a822 [0,1,0,0,0,0|2,0,1]=4 1337 B11R0.4 CCNC(=O)COCCCCF 4f3e59fe792a1e2231e0ddd56f31044d [0,1,0,0,0,0|2,0,0]=3 1338 B11R0.4 CCNC(=O)COCCCCS 3a913aaba736c6d870947a80d041d880 [0,1,0,0,0,0|2,0,0]=3 1339 B11R0.4 CCNC(=O)COCCCOC c022c25bcb9ab83afb1bab76d4958aa0 [0,1,0,0,0,0|2,0,0]=3 1340 B11R0.4 CCNC(=O)COCCCSC e5803c04a5b50643a72be8ad1dae0cda [0,1,0,0,0,0|2,0,0]=3 1341 B11R0.4 CCNC(=O)COCCOCC f5273a02be122109aa563b91255aa24f [0,1,0,0,0,0|2,0,0]=3 1342 B11R0.4 CCNC(=O)COCCSCC 877ab42063e372e9088e987259034e7e [0,1,0,0,0,0|2,0,0]=3 1343 B11R0.4 CCNCCCCS(=O)CCO 76bcafe4a552308121ef9178c2962f25 [0,1,0,0,0,0|3,0,0]=4 1344 B11R0.4 CCOC(=O)CCCCOCF 1e1261add10b19284371a248568d711b [0,1,0,0,0,0|3,0,0]=4 1345 B11R0.4 CCOC(=O)CCCNCCBr 60bcbe922041739189bc281fb6a2bb23 [0,1,0,0,0,0|3,0,0]=4 1346 B11R0.4 CCOC(=O)CCCNCCF a8ca23c887e3f27d9ce4ce70ce8ce85c [0,1,0,0,0,0|3,0,0]=4 1347 B11R0.4 CCOC(=O)CCCNCCI 4edd1ec513d467813532911b2cbedef7 [0,1,0,0,0,0|3,0,0]=4 1348 B11R0.4 CCOC(=O)CCCNCCO 6cab9fdd8c1a3159e64bec0608483f43 [0,1,0,0,0,0|3,0,0]=4 1349 B11R0.4 CCOC(=O)CCCNCCS bf3d906c2feaf34f02a7b4012db66253 [0,1,0,0,0,0|3,0,0]=4 1350 B11R0.4 CCOC(=O)CCCNCOC 09a4cb9ed4f5f8b605e172f8b0db0671 [0,1,0,0,0,0|3,0,0]=4 1351 B11R0.4 CCOC(=O)CCCNCSC d614302bf0ca880f0177d2ffc0476d8a [0,1,0,0,0,0|3,0,0]=4 1352 B11R0.4 CCOC(=O)CCCOCCF 909acc390bbb1ceea04a19919f52152b [0,1,0,0,0,0|3,0,0]=4 1353 B11R0.4 CCOC(=O)CCCOCCS 78b20295e211bf8850dff862a4729f37 [0,1,0,0,0,0|3,0,0]=4 1354 B11R0.4 CCOC(=O)CCCOCOC 5bf104d8710e6b32f35db6c9e133e980 [0,1,0,0,0,0|3,0,0]=4 1355 B11R0.4 CCOC(=O)CCCOCSC a236b3de67b8591907dc1349d6aacabc [0,1,0,0,0,0|3,0,0]=4 1356 B11R0.4 CCOC(=O)CCNCCCCl a89c084bdffb1d422d065823b9073077 [0,1,0,0,0,0|3,0,0]=4 1357 B11R0.4 CCOC(=O)CCNCCCF 70a1dc79e0e4bc47520362815d5c0544 [0,1,0,0,0,0|3,0,0]=4 1358 B11R0.4 CCOC(=O)CCNCCCO 51aaffebe3df7434f9d32c43a0c6dace [0,1,0,0,0,0|3,0,0]=4 1359 B11R0.4 CCOC(=O)CCNCCCS 5bcc16b3c3f0425f0080dc188f736d03 [0,1,0,0,0,0|3,0,0]=4 1360 B11R0.4 CCOC(=O)CCNCCOC 1c46d7d7fb66a967176c3228bbbad3fb [0,1,0,0,0,0|3,0,0]=4 1361 B11R0.4 CCOC(=O)CCNCCSC aa9be64800f205656b7a4f74e69a29d3 [0,1,0,0,0,0|3,0,0]=4 1362 B11R0.4 CCOC(=O)CCOCCCF a7be7eb6d4bf413eef8e017143e3f700 [0,1,0,0,0,0|3,0,0]=4 1363 B11R0.4 CCOC(=O)CCOCCCS f6284e96b38ea040626353532b55676c [0,1,0,0,0,0|3,0,0]=4 1364 B11R0.4 CCOC(=O)CCOCCOC 5eab465898645a5ae67f5c769be3f00c [0,1,0,0,0,0|3,0,0]=4 1365 B11R0.4 CCOC(=O)CCOCCSC cba55ac5252fa9caa5a0ba30c08c4f44 [0,1,0,0,0,0|3,0,0]=4 1366 B11R0.4 CCOC(=O)CNCCCCCl 296a499f8be352bf681ae9c7effc53de [0,1,0,0,0,0|3,0,0]=4 1367 B11R0.4 CCOC(=O)CNCCCCF f53911aa8d81b2451a539d276eea2100 [0,1,0,0,0,0|3,0,0]=4 1368 B11R0.4 CCOC(=O)CNCCCCO 5567fb2e0fc75fd72e36e84016c9b7ee [0,1,0,0,0,0|3,0,0]=4 1369 B11R0.4 CCOC(=O)CNCCCCS 04305ddf2d4b9a89f1f8710f12ab691d [0,1,0,0,0,0|3,0,0]=4 1370 B11R0.4 CCOC(=O)CNCCCOC 24714c2c7807ed3ce35740638d7e471f [0,1,0,0,0,0|3,0,0]=4 1371 B11R0.4 CCOC(=O)CNCCCSC b297861fcb32dc5e0d19d3c9a20bab5c [0,1,0,0,0,0|3,0,0]=4 1372 B11R0.4 CCOC(=O)CNCCSCC ab73db73736783d81dfec5042e756f02 [0,1,0,0,0,0|3,0,0]=4 1373 B11R0.4 CCOC(=O)COCCCC#N 1401b20e8c33a31a28f46a19bf785ce5 [0,1,0,0,0,0|2,0,1]=4 1374 B11R0.4 CCOC(=O)COCCCC=O 998018a2436ae9b74b0ce0d06d11b427 [0,1,0,0,0,0|2,0,1]=4 1375 B11R0.4 CCOC(=O)COCCCCF bdd3130414d7bb52901d2af99d6baad4 [0,1,0,0,0,0|2,0,0]=3 1376 B11R0.4 CCOC(=O)COCCCCS d9f6c265a2fd8cb1d0d139c1fd8ea40e [0,1,0,0,0,0|2,0,0]=3 1377 B11R0.4 CCOC(=O)COCCCOC eb98c0daf8901cd4eec41b84833eccbf [0,1,0,0,0,0|2,0,0]=3 1378 B11R0.4 CCOC(=O)COCCCSC 00a233a412e6525cdc70bdadeb0a8d89 [0,1,0,0,0,0|2,0,0]=3 1379 B11R0.4 CCOC(=O)COCCSCC 0d930b0adeba2e697fe84aabdd6723e8 [0,1,0,0,0,0|2,0,0]=3 1380 B11R0.4 CCOC(=O)OCNCCC#N 3abb66198834d617259e43d019b410b2 [0,1,0,0,0,0|2,0,1]=4 1381 B11R0.4 CCOC(=O)OCNCCCCl 99fe24b384b58a410e6bfa30610beaa5 [0,1,0,0,0,0|2,0,0]=3 1382 B11R0.4 CCOC(=O)OCNCCCO 330dbb4caf05da61276fa56cf672bb8b [0,1,0,0,0,0|2,0,0]=3 1383 B11R0.4 CCOC(=O)OCNCCOC d5c7854eee6ba7588214f4ff914fc87c [0,1,0,0,0,0|2,0,0]=3 1384 B11R0.4 CCOC(=O)OCNCCON 1ecd67b01b85fbe0902712c1ed4eb644 [0,1,0,0,0,0|3,0,0]=4 1385 B11R0.4 CCOC(=O)OCNCCSC ea06b535bbf1efc9b1197057babc558e [0,1,0,0,0,0|2,0,0]=3 1386 B11R0.4 CCOC(=O)OCOCCC#N ed4ae751c75c99d342029768c637c695 [0,1,0,0,0,0|2,0,1]=4 1387 B11R0.4 CCOC(=O)OCOCCC=O 51fa97c199153b4d541ea0aec77a48bb [0,1,0,0,0,0|2,0,1]=4 1388 B11R0.4 CCOC(=O)OCOCCCF fc56c56d10bb392ab3a26c4a4efed42f [0,1,0,0,0,0|2,0,0]=3 1389 B11R0.4 CCOC(=O)OCOCCCS 0cd9d99fb7c1a1ce68b9ca8aa9a51cb1 [0,1,0,0,0,0|2,0,0]=3 1390 B11R0.4 CCOC(=O)OCOCCOC 8976be852d7727f2d507dbe54fada1a4 [0,1,0,0,0,0|2,0,0]=3 1391 B11R0.4 CCOC(=O)OCOCCSC c7a5119784f6648de654eb05cb670589 [0,1,0,0,0,0|2,0,0]=3 1392 B11R0.4 CCOCC/C=C/C(=O)OCC 6cd123b336b09636d62c7ced1e41006a [0,1,0,0,0,0|2,0,1]=4 1393 B11R0.4 CCOCCCCC(=O)OCC dff7da0a71f6e7070ea70a6d5afe214a [0,1,0,0,0,0|2,0,0]=3 1394 B11R0.4 CCOCCCNC(=O)CC#N ef159ce85eb7d72041107bc5f1f595a8 [0,1,0,0,0,0|2,0,1]=4 1395 B11R0.4 CCOCCCNC(=O)CC=O 08b08324269f2b3e5210cb0b415fd2eb [0,1,0,0,0,0|2,0,1]=4 1396 B11R0.4 CCOCCCNC(=O)CCF efadbaa4e7a775e7f102effe8a6f0ce0 [0,1,0,0,0,0|2,0,0]=3 1397 B11R0.4 CCOCCCNC(=O)CCO 8acfd0c25451d107aefdb0a60f29f631 [0,1,0,0,0,0|2,0,0]=3 1398 B11R0.4 CCOCCCNC(=O)CCS bb10088106ab0c7dcfc43d755ea8e23d [0,1,0,0,0,0|2,0,0]=3 1399 B11R0.4 CCOCCCNC(=O)COC 70a73149310d8c3f110d5cb9b03dbd40 [0,1,0,0,0,0|2,0,0]=3 1400 B11R0.4 CCOCCCNC(=O)CON 622a429aad3eb288333e392a8a196e9b [0,1,0,0,0,0|3,0,0]=4 1401 B11R0.4 CCOCCCNC(=O)CSC 44b573ba5db1d327823fd0504bbcfcfd [0,1,0,0,0,0|2,0,0]=3 1402 B11R0.4 CCOCCCOC(C)COC 44d98148fc4a2b9bf350f08807a4aa5d [0,1,0,0,0,0|2,0,1]=4 1403 B11R0.4 CCOCCCOC(C)CSC abae268f2ea07e6037d48f06317a9bb7 [0,1,0,0,0,0|2,0,1]=4 1404 B11R0.4 CCOCCCO[C@@H](C)COC 59892c1ec30a19810f7481347e562dd9 [0,1,0,0,0,0|2,0,1]=4 1405 B11R0.4 CCOCCCO[C@H](C)COC 5ac16be2d3298c76b333bd2628262c49 [0,1,0,0,0,0|2,0,1]=4 1406 B11R0.4 CCOCCNCC(=O)COC fdb8505df54fbba3c2adf0cfb62df184 [0,1,0,0,0,0|3,0,0]=4 1407 B11R0.4 CCOCCNCC(=O)OCC 3eef08623d91f6c723acaf832f2ae8de [0,1,0,0,0,0|3,0,0]=4 1408 B11R0.4 CCOCCOCC(=O)COC dbb7b3dd5ddf63d54f30b38b4ecaf7c8 [0,1,0,0,0,0|2,0,0]=3 1409 B11R0.4 CCOCCOCC(=O)OCC 1e47a791ce24a3105a78deacbb6e4ae7 [0,1,0,0,0,0|2,0,0]=3 1410 B11R0.4 CCOCNCCC(=O)OCC e0a0602d211c58d51b802fc20f7123fa [0,1,0,0,0,0|3,0,0]=4 1411 B11R0.4 CCOCOCCC(=O)OCC adf258b99474a5da1b50ec3aeed30c5b [0,1,0,0,0,0|3,0,0]=4 1412 B11R0.4 CCSC(=O)OCNCCC#N 3a90e6f4d6a140a78aa1d8fd67628730 [0,1,0,0,0,0|2,0,1]=4 1413 B11R0.4 CCSC(=O)OCNCCCCl 535f129593e99d1a27f812d2c7ee6a65 [0,1,0,0,0,0|2,0,0]=3 1414 B11R0.4 CCSC(=O)OCNCCCO 9d741fb4834d423e6169079ba7ef1cd6 [0,1,0,0,0,0|2,0,0]=3 1415 B11R0.4 CCSC(=O)OCNCCOC a4c42e324d639e83f6d03d89277619be [0,1,0,0,0,0|2,0,0]=3 1416 B11R0.4 CCSC(=O)OCNCCON 5866c03178015dc28c1a7218690fad80 [0,1,0,0,0,0|3,0,0]=4 1417 B11R0.4 CCSC(=O)OCNCCSC 6031413d7d79d97053cb3e82c96aeb09 [0,1,0,0,0,0|2,0,0]=3 1418 B11R0.4 CCSC(=O)OCOCCC#N 7d265908cd84597d1b15a884ee401dfb [0,1,0,0,0,0|2,0,1]=4 1419 B11R0.4 CCSC(=O)OCOCCC=O acb031a1f7b3c88fd30bdc859d3752ab [0,1,0,0,0,0|2,0,1]=4 1420 B11R0.4 CCSC(=O)OCOCCCF 3140bc2f2c56e9d1c1d617e4e45d6e83 [0,1,0,0,0,0|2,0,0]=3 1421 B11R0.4 CCSC(=O)OCOCCCS e5c9a822fe890620e9494b6f368c605a [0,1,0,0,0,0|2,0,0]=3 1422 B11R0.4 CCSC(=O)OCOCCOC 22b0fba0376baa6121f0b483d5066b0b [0,1,0,0,0,0|2,0,0]=3 1423 B11R0.4 CCSC(=O)OCOCCSC a083f212579d68e4284028fb6f080ebf [0,1,0,0,0,0|2,0,0]=3 1424 B11R0.4 CCSCCCOC(C)COC 8578a3684c70d246c43290bbcda8ef3b [0,1,0,0,0,0|2,0,1]=4 1425 B11R0.4 CCSCCCOC(C)CSC 2328a8a2d0c6feee97ea9f5ebfe4c841 [0,1,0,0,0,0|2,0,1]=4 1426 B11R0.4 CCSCCCO[C@@H](C)COC 3ce167993eb11e9f97303582a1494e25 [0,1,0,0,0,0|2,0,1]=4 1427 B11R0.4 CCSCCCO[C@H](C)COC 7e161a935a2fa47b0613df43aeb4715b [0,1,0,0,0,0|2,0,1]=4 1428 B11R0.4 CCSCCNCC(=O)COC 6e155effc108796e28a3252eae7ac084 [0,1,0,0,0,0|3,0,0]=4 1429 B11R0.4 CCSCCOCC(=O)COC 6b7424a0912b8c7461eacd3ba1762ba5 [0,1,0,0,0,0|2,0,0]=3 1430 B11R0.4 COCC(=O)CNCCCCCl 94890e0df7382ac64c28586919cd3948 [0,1,0,0,0,0|3,0,0]=4 1431 B11R0.4 COCC(=O)CNCCCCS 519234dc4566e81da37f72e235238ff5 [0,1,0,0,0,0|3,0,0]=4 1432 B11R0.4 COCC(=O)CNCCCSC aaa4a34c6a0fc86eef3dabc0a7439a41 [0,1,0,0,0,0|3,0,0]=4 1433 B11R0.4 COCC(=O)COCCCC#N 7137eb4c7259b5e6013b2ca14ebf6e0c [0,1,0,0,0,0|2,0,1]=4 1434 B11R0.4 COCC(=O)COCCCC=O f6796d497fc7b86e22c6398a7c80e116 [0,1,0,0,0,0|2,0,1]=4 1435 B11R0.4 COCC(=O)COCCCCF 64f1546e16c70ee2e4e07aced5677625 [0,1,0,0,0,0|2,0,0]=3 1436 B11R0.4 COCC(=O)COCCCCS 1c69a5e1cf0dd2d22b4517ff2bf45ec5 [0,1,0,0,0,0|2,0,0]=3 1437 B11R0.4 COCC(=O)COCCCSC b7514f231ed5bceecb60df57c287f67a [0,1,0,0,0,0|2,0,0]=3 1438 B11R0.4 COCC(=O)NCCCCC#N 076bf0924480506b52136d5e2f1369c6 [0,1,0,0,0,0|2,0,1]=4 1439 B11R0.4 COCC(=O)NCCCCCCl aa42ab5e3ec51e9d22abf292fda9d7f1 [0,1,0,0,0,0|2,0,0]=3 1440 B11R0.4 COCC(=O)NCCCCCO 1fa76c874db0b7688d7ddf0c18481da7 [0,1,0,0,0,0|2,0,0]=3 1441 B11R0.4 COCC(=O)NCCCCSC 0ce1c58b53ffdb53ba5746947397b799 [0,1,0,0,0,0|2,0,0]=3 1442 B11R0.4 COCC(=O)NCCOCCO ec901c359a18893923bed9542042abcc [0,1,0,0,0,0|3,0,0]=4 1443 B11R0.4 COCC(=O)NCCOCCS 499d65c1411b4b71c3842ba403959a06 [0,1,0,0,0,0|3,0,0]=4 1444 B11R0.4 COCC(=O)NCCSCCO 630bdba9dfa544004ddcf8c7d9a02dd0 [0,1,0,0,0,0|3,0,0]=4 1445 B11R0.4 COCC(C)OCCCCCF 5944b1569d552c8bbe9cab995916779a [0,1,0,0,0,0|2,0,1]=4 1446 B11R0.4 COCC(C)OCCCCSC bc9cac0274b0108d96764e0cc512a6cd [0,1,0,0,0,0|2,0,1]=4 1447 B11R0.4 COCCCCNC(=O)CC#N e0361166653b356605059430a8f0e7bd [0,1,0,0,0,0|2,0,1]=4 1448 B11R0.4 COCCCCNC(=O)CC=O 8109c59d747a300c999d468a4c5a5bc6 [0,1,0,0,0,0|2,0,1]=4 1449 B11R0.4 COCCCCNC(=O)CCF 6ee62d6cb4b9fdd92bf7e567dac2d4f8 [0,1,0,0,0,0|2,0,0]=3 1450 B11R0.4 COCCCCNC(=O)CCO e37a21d48ecc449870eea705bdcc361f [0,1,0,0,0,0|2,0,0]=3 1451 B11R0.4 COCCCCNC(=O)CCS 24a71e63aa9be49e8e276a83d562a8b3 [0,1,0,0,0,0|2,0,0]=3 1452 B11R0.4 COCCCCNC(=O)COC 745cdb59c6b7ff7633b3b16ac9c6ee7c [0,1,0,0,0,0|2,0,0]=3 1453 B11R0.4 COCCCCNC(=O)CON 8df6fb5cffb6bf20ea1b47ce8f4fcc8d [0,1,0,0,0,0|3,0,0]=4 1454 B11R0.4 COCCCCNC(=O)CSC ba341a99ca024acde6b18d462c8cdcda [0,1,0,0,0,0|2,0,0]=3 1455 B11R0.4 COCCCCOC(C)COC 4d2d8a4ad5f9875936197c4db372f3db [0,1,0,0,0,0|2,0,1]=4 1456 B11R0.4 COCCCCOC(C)CSC 4467a0720d68cf8dc13c5f91d6ce7ec5 [0,1,0,0,0,0|2,0,1]=4 1457 B11R0.4 COCCCCO[C@@H](C)COC a6cb1d39411ed8ba04536f5429ae1cab [0,1,0,0,0,0|2,0,1]=4 1458 B11R0.4 COCCCCO[C@H](C)COC fe0f0ed994fa7220d1040b0e36501954 [0,1,0,0,0,0|2,0,1]=4 1459 B11R0.4 COCCCNCC(=O)COC 4e228feef20a32b9641ba3447dec0698 [0,1,0,0,0,0|3,0,0]=4 1460 B11R0.4 COCCCOCC(=O)COC f65d05f3157a1048b7ede41de889fd20 [0,1,0,0,0,0|2,0,0]=3 1461 B11R0.4 COC[C@@H](C)OCCCCCF 08eea8e9e6a27907167f9a1c238e504c [0,1,0,0,0,0|2,0,1]=4 1462 B11R0.4 COC[C@H](C)OCCCCCF 7147b6bb32590cb4d134313c6193b0f8 [0,1,0,0,0,0|2,0,1]=4 1463 B11R0.4 CSCC(=O)NCCCCC#N 029d688fa86d828bf9569f26d4287d59 [0,1,0,0,0,0|2,0,1]=4 1464 B11R0.4 CSCC(=O)NCCCCCCl 153370af97ea55da31f34111d9910241 [0,1,0,0,0,0|2,0,0]=3 1465 B11R0.4 CSCC(=O)NCCCCCO 584ef44ada0c9d4aac91f1399dffe5da [0,1,0,0,0,0|2,0,0]=3 1466 B11R0.4 CSCC(=O)NCCOCCO 01a93ba8cb55f786ab34bf434f14ea02 [0,1,0,0,0,0|3,0,0]=4 1467 B11R0.4 CSCC(=O)NCCOCCS d95cdeef56438878cef69e7c32bbca9d [0,1,0,0,0,0|3,0,0]=4 1468 B11R0.4 CSCC(=O)NCCSCCO 183a78443aa4ed28b16102303d5d0c59 [0,1,0,0,0,0|3,0,0]=4 1469 B11R0.4 CSCC(C)OCCCCCF 2e9d44b0dd6b44061cfbf22accc3f085 [0,1,0,0,0,0|2,0,1]=4 1470 B11R0.4 CSCCCCNC(=O)CC#N 8d02a88efb784ced2004489989cb1263 [0,1,0,0,0,0|2,0,1]=4 1471 B11R0.4 CSCCCCNC(=O)CC=O e1a12b10e78d889bf145080fedf1688a [0,1,0,0,0,0|2,0,1]=4 1472 B11R0.4 CSCCCCNC(=O)CCF 4aa9b6c6c402a859a2037ca207d2eeb0 [0,1,0,0,0,0|2,0,0]=3 1473 B11R0.4 CSCCCCNC(=O)CCO 0def3c0e3424429db8620419b88082cd [0,1,0,0,0,0|2,0,0]=3 1474 B11R0.4 CSCCCCNC(=O)CCS 275093e40c64fb00214f217733e7002a [0,1,0,0,0,0|2,0,0]=3 1475 B11R0.4 CSCCCCNC(=O)CON e61f0f6b4f698b06bc1bdf0cad390579 [0,1,0,0,0,0|3,0,0]=4 1476 B11R0.4 CSCCCCNC(=O)CSC 488ccc16df1e03555e07bb32fbe83a4f [0,1,0,0,0,0|2,0,0]=3 1477 B11R0.4 N#CCC(=O)NCCCCCCl 76d5c4f5bcbf3df472c77e2ac7e73bd5 [0,1,0,0,0,0|2,0,1]=4 1478 B11R0.4 N#CCC(=O)NCCCCCO 34f23097a2345e6f8e9a934506e28458 [0,1,0,0,0,0|2,0,1]=4 1479 B11R0.4 N#CCCCCNC(=O)CCF f9dc4a251ce20588f205f23d6126764b [0,1,0,0,0,0|2,0,1]=4 1480 B11R0.4 N#CCCCCNC(=O)CCO 58cdb7de5637d9f9ae0a3b4365ed0fac [0,1,0,0,0,0|2,0,1]=4 1481 B11R0.4 N#CCCCCNC(=O)CCS 02dff96c67261d56a9961ae69e5e6dcf [0,1,0,0,0,0|2,0,1]=4 1482 B11R0.4 NOCC(=O)NCCCCCCl 925f5308a049c417008d9bba6cac7c88 [0,1,0,0,0,0|3,0,0]=4 1483 B11R0.4 NOCC(=O)NCCCCCO 9a2ec76919528a1ba5eade29d6db9ef1 [0,1,0,0,0,0|3,0,0]=4 1484 B11R0.4 O=C(CCF)NCCCCCCl d995f4d5f51bafa5b1ecfd4430e209d9 [0,1,0,0,0,0|2,0,0]=3 1485 B11R0.4 O=C(CCF)NCCCCCO e449485f2ca23e4c1d3e7def1a274e73 [0,1,0,0,0,0|2,0,0]=3 1486 B11R0.4 O=C(CCF)NCCOCCO 464096bc46e82136215796ff85dcca0a [0,1,0,0,0,0|3,0,0]=4 1487 B11R0.4 O=C(CCF)NCCOCCS a1d651c5c7210c4f7f26fc42f255f686 [0,1,0,0,0,0|3,0,0]=4 1488 B11R0.4 O=C(CCF)NCCSCCO 8d76da1cb55f4ef52fd1753d28f66524 [0,1,0,0,0,0|3,0,0]=4 1489 B11R0.4 O=C(CCO)NCCCCCCl 5cefc3da5dae80b8a6093512df3bf750 [0,1,0,0,0,0|2,0,0]=3 1490 B11R0.4 O=C(CCO)NCCCCCO 32b75911b963a5b740609c2714e64ebe [0,1,0,0,0,0|2,0,0]=3 1491 B11R0.4 O=C(CCO)NCCOCCO e434b1654562fb7bcdc17490c4383c5e [0,1,0,0,0,0|3,0,0]=4 1492 B11R0.4 O=C(CCO)NCCOCCS 9d3865008726eec88d9ccbce5c564fd7 [0,1,0,0,0,0|3,0,0]=4 1493 B11R0.4 O=C(CCO)NCCSCCO 126ae5295eca2c199be4f2e2426a48a0 [0,1,0,0,0,0|3,0,0]=4 1494 B11R0.4 O=C(CCS)NCCCCCCl a8be7c114ab26d5fca0f87b64cd024dd [0,1,0,0,0,0|2,0,0]=3 1495 B11R0.4 O=C(CCS)NCCCCCO 6656c75fa5d58dd15c7bf0d6670be4e4 [0,1,0,0,0,0|2,0,0]=3 1496 B11R0.4 O=C(CCS)NCCOCCO 03cac5faf52317a602bba4f9a0e2480e [0,1,0,0,0,0|3,0,0]=4 1497 B11R0.4 O=C(CCS)NCCOCCS 19a2f4e5ccbdfd6a0fcfc86dbdf44551 [0,1,0,0,0,0|3,0,0]=4 1498 B11R0.4 O=C(CCS)NCCSCCO f3c79169baaf09ba31a26b6eb332b251 [0,1,0,0,0,0|3,0,0]=4 1499 B11R0.4 O=CCC(=O)NCCCCCCl e5be60f16ee1bfce3d0f2cc2258360f7 [0,1,0,0,0,0|2,0,1]=4 1500 B11R0.4 O=CCC(=O)NCCCCCO ea9b46916e4def28d71644379ff5d685 [0,1,0,0,0,0|2,0,1]=4 1501 B11R0.5 C#CCC(=O)NC(C)CCCC 5bb167765d973d290fe543a5120c5b0a [0,1,0,0,0,0|1,0,2]=4 1502 B11R0.5 C#CCC(=O)N[C@H](C)CCCC 1c2d71724a157bb76682a570c35bb26c [0,1,0,0,0,0|1,0,2]=4 1503 B11R0.5 C/C=C/C(=O)NC(C)CCCC d3adbe398831edd2c0c4888dbdb115c3 [0,1,0,0,0,0|1,0,2]=4 1504 B11R0.5 C/C=C/C(=O)N[C@H](C)CCCC 81ef273c58b85f845278c587e199fb0c [0,1,0,0,0,0|1,0,2]=4 1505 B11R0.5 C=CCC(=O)NC(C)CCCC 486452769a2d4c12c587f4805576d7af [0,1,0,0,0,0|1,0,2]=4 1506 B11R0.5 C=CCC(=O)N[C@H](C)CCCC ba2de944c20ea7a7f9c13ee03cebb5ed [0,1,0,0,0,0|1,0,2]=4 1507 B11R0.5 C=CCCC(C)OC(=S)CCC 192f36708d7281a456b3d72e4beb698c [0,1,0,0,0,0|0,1,2]=4 1508 B11R0.5 CC#CC(=O)NC(C)CCCC 09802138b96802960d93efc261118bcb [0,1,0,0,0,0|1,0,2]=4 1509 B11R0.5 CC#CC(=O)N[C@H](C)CCCC b07019048f51f1681e0d8a6dbeedb8e9 [0,1,0,0,0,0|1,0,2]=4 1510 B11R0.5 CC(CCCO)NC(=O)CCF 1c3acdae0ed910e633b5a4a7e92b3993 [0,1,0,0,0,0|3,0,0]=4 1511 B11R0.5 CC(CCCO)NC(=O)CCO 2f2e32a0c064ab1b882e261fedf10c14 [0,1,0,0,0,0|3,0,0]=4 1512 B11R0.5 CC(CCCO)NC(=O)CCS 9d73306e28f48f3747728fcb7052f7b9 [0,1,0,0,0,0|3,0,0]=4 1513 B11R0.5 CCCC(=O)CN(C)CCCO 3176a519d03ba43dcee12bd5417a99aa [0,1,0,0,0,0|3,0,0]=4 1514 B11R0.5 CCCC(=O)CN(C)CCOC 4b22370bf6e741b560047f4cfea93549 [0,1,0,0,0,0|3,0,0]=4 1515 B11R0.5 CCCC(=O)CN(C)CCSC 3861c4c0429c839f876c0b92675dbc22 [0,1,0,0,0,0|3,0,0]=4 1516 B11R0.5 CCCC(=O)NC(C)CCCO c653f3238dd5ed5ce22fbd0bf1f1e75f [0,1,0,0,0,0|2,0,0]=3 1517 B11R0.5 CCCC(=O)N[C@H](C)CCCO c022a4354d04fa63464693a3796bd84f [0,1,0,0,0,0|2,0,0]=3 1518 B11R0.5 CCCC(=S)OC(C)CCC#N 7fab3fc3956de8bfda6a528e20d545fa [0,1,0,0,0,0|1,1,1]=4 1519 B11R0.5 CCCC(C)OC(C)CCOC fadbcd4771bbbe4cfa2b633166893b28 [0,1,0,0,0,0|2,0,1]=4 1520 B11R0.5 CCCC(C)OC(C)COCC af6fb572014cccde381c2b9f2272f333 [0,1,0,0,0,0|2,0,1]=4 1521 B11R0.5 CCCCC(C)NC(=O)CC#N 0dbb3f4ca3ee143b478cbc95a7d8a813 [0,1,0,0,0,0|2,0,1]=4 1522 B11R0.5 CCCCC(C)NC(=O)CC=O 4b62e2d60d7ff90b337cfa16e68f1a2b [0,1,0,0,0,0|2,0,1]=4 1523 B11R0.5 CCCCC(C)NC(=O)CCC 43436934f24e745885dfbadec08128d1 [0,1,0,0,0,0|1,0,0]=2 1524 B11R0.5 CCCCC(C)NC(=O)CCF cda440c74a569fab8e1afa816d18d04a [0,1,0,0,0,0|2,0,0]=3 1525 B11R0.5 CCCCC(C)NC(=O)CCO 1b9d98a6035ede469114e581d81e339d [0,1,0,0,0,0|2,0,0]=3 1526 B11R0.5 CCCCC(C)NC(=O)CCS edc03cd7374c69f14e827a3a34772526 [0,1,0,0,0,0|2,0,0]=3 1527 B11R0.5 CCCCC(C)NC(=O)COC f7dde75e19c01301ddf951d10524cbeb [0,1,0,0,0,0|2,0,0]=3 1528 B11R0.5 CCCCC(C)NC(=O)CON eb29b7527ac691b829a84a6b8ac4a606 [0,1,0,0,0,0|3,0,0]=4 1529 B11R0.5 CCCCC(C)NC(=O)CSC 79c76642976c4c66103a112bee688d8c [0,1,0,0,0,0|2,0,0]=3 1530 B11R0.5 CCCCC(C)NC(C)CCC a7eb2b10100894a8d37769b87f7661e4 [0,1,0,0,0,0|2,0,1]=4 1531 B11R0.5 CCCCC(C)N[C@@H](C)CCC aa15a29ec560c32f6f5bcf6a4f167044 [0,1,0,0,0,0|2,0,1]=4 1532 B11R0.5 CCCCC(C)OC(=S)CCC 0c4270cad6dfde75c78c81454c1eb24c [0,1,0,0,0,0|0,1,0]=2 1533 B11R0.5 CCCCC(C)OC(C)CCC 15718631eb67924817f99c568538e079 [0,1,0,0,0,0|1,0,1]=3 1534 B11R0.5 CCCCC(C)OC(C)COC b88de6723fc0777128f98e447057ef19 [0,1,0,0,0,0|2,0,1]=4 1535 B11R0.5 CCCCC(C)OC(C)CSC a8ebbaeb56a2a6d152620c4773ae3bc2 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.5 CCCCC(C)O[C@@H](C)CCC 64777bdc1b8eebb8dd7a9935014fd0b6 [0,1,0,0,0,0|1,0,1]=3 1537 B11R0.5 CCCCC(C)O[C@@H](C)COC 9ed40b42a134e222ddcea1f4e7c0fc56 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.5 CCCCC(C)O[C@H](C)CCC 0ddd87afd86c4e18b69d322622fd9252 [0,1,0,0,0,0|1,0,1]=3 1539 B11R0.5 CCCCC(C)O[C@H](C)COC 686565fa482a02992a3f0fc5fe506a57 [0,1,0,0,0,0|2,0,1]=4 1540 B11R0.5 CCCCN(C)CC(=O)CCC 2c9d1b447eaaf33a4021bbf9ae8724ad [0,1,0,0,0,0|2,0,0]=3 1541 B11R0.5 CCCCN(C)CC(=O)COC 2398394d7bd3e9e173980d8f84a46013 [0,1,0,0,0,0|3,0,0]=4 1542 B11R0.5 CCCCN(C)CC(=O)NCC 4e7624ee18d03d9dffcf9124edde8a28 [0,1,0,0,0,0|3,0,0]=4 1543 B11R0.5 CCCCN(C)CC(=O)OCC 66588873868685277f1e6323ca93ab3b [0,1,0,0,0,0|3,0,0]=4 1544 B11R0.5 CCCC[C@@H](C)NC(=O)CC#N 0e6b2812b1540ba8e060538094508de4 [0,1,0,0,0,0|2,0,1]=4 1545 B11R0.5 CCCC[C@@H](C)NC(=O)CC=O 3a80e994664616c66843d78b68879541 [0,1,0,0,0,0|2,0,1]=4 1546 B11R0.5 CCCC[C@@H](C)NC(=O)CCC b900024a5ad230bdc04e528498061486 [0,1,0,0,0,0|1,0,0]=2 1547 B11R0.5 CCCC[C@@H](C)NC(=O)CCF 93c934f351e64ccf8e2d521aa9e42fe2 [0,1,0,0,0,0|2,0,0]=3 1548 B11R0.5 CCCC[C@@H](C)NC(=O)CCO 01d87af3b75d31c5fff556ee40effeba [0,1,0,0,0,0|2,0,0]=3 1549 B11R0.5 CCCC[C@@H](C)NC(=O)CCS fe705c5d8d60b5621a19a2d183083fe0 [0,1,0,0,0,0|2,0,0]=3 1550 B11R0.5 CCCC[C@@H](C)NC(=O)COC f016a4f80e22fff5992dc6293ea396fc [0,1,0,0,0,0|2,0,0]=3 1551 B11R0.5 CCCC[C@@H](C)NC(=O)CON d2ed31f6841d9c3b6b2addc34299072c [0,1,0,0,0,0|3,0,0]=4 1552 B11R0.5 CCCC[C@@H](C)NC(=O)CSC 360791f73cc423f58950b480a5db3482 [0,1,0,0,0,0|2,0,0]=3 1553 B11R0.5 CCCC[C@@H](C)NC(C)CCC d27b494b42c5ed8fd96098ebe1d57cf5 [0,1,0,0,0,0|2,0,1]=4 1554 B11R0.5 CCCC[C@@H](C)OC(C)CCC 9fb00506971cd8a345085f963c397612 [0,1,0,0,0,0|1,0,1]=3 1555 B11R0.5 CCCC[C@@H](C)OC(C)COC 1d1e4b2459f7024740262d995c6c47fe [0,1,0,0,0,0|2,0,1]=4 1556 B11R0.5 CCCC[C@H](C)OC(C)CCC 9aafe441cab49d6d7485972a114429bf [0,1,0,0,0,0|1,0,1]=3 1557 B11R0.5 CCCC[C@H](C)OC(C)COC ef7c2337b86329c386020a6329872892 [0,1,0,0,0,0|2,0,1]=4 1558 B11R0.5 CCCNC(=O)CC(=O)CCC 30d8467f4d3826bdfaf412166a0af84b [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.5 CCCNC(C)CC(=O)OCC 4cd8834a858e3d0a1873cc056d8991da [0,1,0,0,0,0|3,0,0]=4 1560 B11R0.5 CCCNC(C)OC(=O)OCC 63c80613f8e796087da31e8ca1b05e75 [0,1,0,0,0,0|2,0,0]=3 1561 B11R0.5 CCCOC(C)CC(=O)OCC a9a559828e9beac6ca0cba22bdf2c0ed [0,1,0,0,0,0|3,0,0]=4 1562 B11R0.5 CCCOC(C)OC(=O)OCC 04395d9cacdeb76959acd261d30b7e51 [0,1,0,0,0,0|2,0,0]=3 1563 B11R0.5 CCCO[C@@H](C)CC(=O)OCC 99e55bc55c2f57c9f328e26219482cbd [0,1,0,0,0,0|3,0,0]=4 1564 B11R0.5 CCCO[C@H](C)CC(=O)OCC 50122b0db756fef3e2071464e7d8c83a [0,1,0,0,0,0|3,0,0]=4 1565 B11R0.5 CCOC(=O)OC(C)NCCBr 780d2a084cfdfbe63f7ea4c1c6e75056 [0,1,0,0,0,0|3,0,0]=4 1566 B11R0.5 CCOC(=O)OC(C)NCCF 12a9208359bdce1b7bd2382f4e829765 [0,1,0,0,0,0|3,0,0]=4 1567 B11R0.5 CCOC(=O)OC(C)NCCI 087a16277dbf724bb2931c84b3b2c95e [0,1,0,0,0,0|3,0,0]=4 1568 B11R0.5 CCOC(=O)OC(C)NCCO d0d09e4afb9906990efaa583d7a323fb [0,1,0,0,0,0|3,0,0]=4 1569 B11R0.5 CCOC(=O)OC(C)NCCS 6aa0b840cf0929bab3333635a6b4e603 [0,1,0,0,0,0|3,0,0]=4 1570 B11R0.5 CCOC(=O)OC(C)OCCS f3596f189ab14257e6ab294cded45960 [0,1,0,0,0,0|3,0,0]=4 1571 B11R0.5 CCOC(=O)OC(C)OCOC 0da8ee90a86ad1943b3e6683041ffb7d [0,1,0,0,0,0|3,0,0]=4 1572 B11R0.5 COCC(=O)NC(C)CCCO e1fedc7df8439e24ac6508bc101eb316 [0,1,0,0,0,0|3,0,0]=4 1573 B11R0.5 COCC(=O)N[C@H](C)CCCO 6c40562c3b92cfc540323c5799e95e5a [0,1,0,0,0,0|3,0,0]=4 1574 B11R0.5 CSCC(=O)NC(C)CCCO 03e87ce92ce32c5d045be9f584b38a60 [0,1,0,0,0,0|3,0,0]=4 1575 B11R0.5 CSCC(=O)N[C@H](C)CCCO 7074548f042baa1aab50db943128213c [0,1,0,0,0,0|3,0,0]=4 1576 B11R0.5 C[C@H](CCCO)NC(=O)CCF d18bac0476eb2ffe727e4a563c0ba8cf [0,1,0,0,0,0|3,0,0]=4 1577 B11R0.5 C[C@H](CCCO)NC(=O)CCO 4715a5c7c9b670cf8406a012b728e74e [0,1,0,0,0,0|3,0,0]=4 1578 B11R0.5 C[C@H](CCCO)NC(=O)CCS 3298c5f5e94ba495f7683b8799df726f [0,1,0,0,0,0|3,0,0]=4 1579 B11R0.62 C#CCC(=O)NCC(O)CCC 45a4dbd33d6631a3203687d7c0bfb8bd [0,1,0,0,0,0|1,0,2]=4 1580 B11R0.62 C#CCN(C)COC(=O)CCC 1e974794508cae66a3f9c7aae139ff7c [0,1,0,0,0,0|1,0,2]=4 1581 B11R0.62 C/C=C/C(=O)NCC(O)CCC 8847047ab4e7d423c8aeb358367ea637 [0,1,0,0,0,0|1,0,2]=4 1582 B11R0.62 C=CCC(=O)NCC(O)CCC 40329ebca85d1e4c87ad858010e315d3 [0,1,0,0,0,0|1,0,2]=4 1583 B11R0.62 C=CCC(C)COC(=S)CCC d0c683abfd5f5c83d43f55eda62b0bae [0,1,0,0,0,0|0,1,2]=4 1584 B11R0.62 C=CCC(O)CNC(=O)CCC e7d8726019803f2597181dc405acde6d [0,1,0,0,0,0|1,0,2]=4 1585 B11R0.62 C=CCN(C)COC(=O)CCC ed290870312c2f72c2de7b98299a5a8a [0,1,0,0,0,0|1,0,2]=4 1586 B11R0.62 CC#CC(=O)NCC(O)CCC 563e102df7f7e2b69655c9689860489d [0,1,0,0,0,0|1,0,2]=4 1587 B11R0.62 CC(CCO)CNC(=O)CCF e19c8bcd4b2309be5f6bda160795b8a2 [0,1,0,0,0,0|3,0,0]=4 1588 B11R0.62 CC(CCO)CNC(=O)CCO 44585a6e2e7dcab46f31be61a2be85ae [0,1,0,0,0,0|3,0,0]=4 1589 B11R0.62 CC(CCO)CNC(=O)CCS 9a7cecb2b0e5f994abfb65886b0cb248 [0,1,0,0,0,0|3,0,0]=4 1590 B11R0.62 CCCC(=O)CNC(C)CCC 6632afc944bce25b7a2f02221949bcdf [0,1,0,0,0,0|2,0,0]=3 1591 B11R0.62 CCCC(=O)CNC(C)CCO 83e76239f3daf3d2bf7b48b0b274053c [0,1,0,0,0,0|3,0,0]=4 1592 B11R0.62 CCCC(=O)CNC(C)COC ff7faeeaa4989a59ec865a8180aac37f [0,1,0,0,0,0|3,0,0]=4 1593 B11R0.62 CCCC(=O)CN[C@@H](C)CCC f5155482ba35dcd819963dc622d6e7c7 [0,1,0,0,0,0|2,0,0]=3 1594 B11R0.62 CCCC(=O)CN[C@@H](C)CCO 873a1ca628d16c2c381c6dfc895acc14 [0,1,0,0,0,0|3,0,0]=4 1595 B11R0.62 CCCC(=O)CN[C@@H](C)COC 9f69ccd8996eac96f316cb3abd7fe5b1 [0,1,0,0,0,0|3,0,0]=4 1596 B11R0.62 CCCC(=O)CN[C@H](C)CCO b9883e2cc89165c1d35c13c0441059e9 [0,1,0,0,0,0|3,0,0]=4 1597 B11R0.62 CCCC(=O)CN[C@H](C)COC e808b3609edb8c9c0757f0595a31d441 [0,1,0,0,0,0|3,0,0]=4 1598 B11R0.62 CCCC(=O)COC(=S)CCC 09b6a45b0e488d394f5eefb65d74c8c0 [0,1,0,0,0,0|0,1,1]=3 1599 B11R0.62 CCCC(=O)COC(C)CCC 41a5141b1797466a137db310153bc0fb [0,1,0,0,0,0|2,0,0]=3 1600 B11R0.62 CCCC(=O)COC(C)COC 344d5864b4730163584b5a95c22ae95d [0,1,0,0,0,0|3,0,0]=4 1601 B11R0.62 CCCC(=O)COC(C)CSC ed1a91297810d6a0a4c6dff575e809ff [0,1,0,0,0,0|3,0,0]=4 1602 B11R0.62 CCCC(=O)CO[C@@H](C)CCC d84216eaff112d2ebe7a5edfc1e5a392 [0,1,0,0,0,0|2,0,0]=3 1603 B11R0.62 CCCC(=O)CO[C@@H](C)COC ea0de5b1df7d4d7cfa3ce4591e8dda6e [0,1,0,0,0,0|3,0,0]=4 1604 B11R0.62 CCCC(=O)CO[C@H](C)CCC 738e2a5af0cfe369cb0c7327cd5938d9 [0,1,0,0,0,0|2,0,0]=3 1605 B11R0.62 CCCC(=O)CO[C@H](C)COC 090542cd3b37dcb1262ad240df10b60b [0,1,0,0,0,0|3,0,0]=4 1606 B11R0.62 CCCC(=O)NCC(=O)NCC 2a2660959ca6f0735149c94db3c7882c [0,1,0,0,0,0|2,0,1]=4 1607 B11R0.62 CCCC(=O)NCC(=O)OCC 845c9aa0b59016b80af4d37cc5afeb13 [0,1,0,0,0,0|2,0,1]=4 1608 B11R0.62 CCCC(=O)NCC(C)CCO 71ad7d238594608d58c9fe5a067eab0a [0,1,0,0,0,0|2,0,0]=3 1609 B11R0.62 CCCC(=O)NCC(C)OCC 5402a150bb43f858f655038d2be6e996 [0,1,0,0,0,0|2,0,0]=3 1610 B11R0.62 CCCC(=O)NCC(O)CCC 4a65aec58a4bf3eeef8107bd670efb46 [0,1,0,0,0,0|1,0,0]=2 1611 B11R0.62 CCCC(=O)NCC(O)COC f7b7df33f807eed4834850641dbcc898 [0,1,0,0,0,0|2,0,0]=3 1612 B11R0.62 CCCC(=O)NC[C@H](O)COC 3191e9796c2bc6098082cc8668d7706f [0,1,0,0,0,0|2,0,0]=3 1613 B11R0.62 CCCC(=O)OCN(C)CC#N f22aece62b56addb0f5233a542c86866 [0,1,0,0,0,0|2,0,1]=4 1614 B11R0.62 CCCC(=O)OCN(C)CCC 3f81cb354cfe83830751d858b6d8e501 [0,1,0,0,0,0|1,0,0]=2 1615 B11R0.62 CCCC(=O)OCN(C)CCF 482e0adedfb527a5f0e6dcf2df43ce64 [0,1,0,0,0,0|2,0,0]=3 1616 B11R0.62 CCCC(=O)OCN(C)CCO 8a0a3e878da1c941a36d5b85da5e3b02 [0,1,0,0,0,0|2,0,0]=3 1617 B11R0.62 CCCC(=S)OCC(=O)COC 10b3ba748f90ddf00adda725587cbe99 [0,1,0,0,0,0|1,1,1]=4 1618 B11R0.62 CCCC(=S)OCC(=O)NCC ca79de622a2b4d20e5ae2c0514f647bd [0,1,0,0,0,0|1,1,1]=4 1619 B11R0.62 CCCC(=S)OCC(=O)OCC 2f52924dc3d6f6907f50d368446d6cbe [0,1,0,0,0,0|1,1,1]=4 1620 B11R0.62 CCCC(=S)OCC(C)CCC e073cff525470b00703e360819cad89b [0,1,0,0,0,0|0,1,0]=2 1621 B11R0.62 CCCC(=S)OC[C@@H](O)CCO 2949f1c59e5c5a185240b76bfc9dfc7b [0,1,0,0,0,0|1,1,0]=3 1622 B11R0.62 CCCC(C)CNC(C)CCC 6d3b5d446e68a7813b48dbec4c94878d [0,1,0,0,0,0|2,0,1]=4 1623 B11R0.62 CCCC(C)CN[C@@H](C)CCC e9d000ba4f5df469a75ff0dc2fd46f05 [0,1,0,0,0,0|2,0,1]=4 1624 B11R0.62 CCCC(C)COC(C)CCC 2bdb0abc0cedae695fd57d79b603ac43 [0,1,0,0,0,0|1,0,1]=3 1625 B11R0.62 CCCC(C)COC(C)COC 4995276a1ef8a83f68b7ad365dc8f87d [0,1,0,0,0,0|2,0,1]=4 1626 B11R0.62 CCCC(C)COC(C)CSC 42dd3f9460f2f5c904926e69682ec0f4 [0,1,0,0,0,0|2,0,1]=4 1627 B11R0.62 CCCC(C)CO[C@@H](C)CCC 697120d159021991d84a3d75b428f05c [0,1,0,0,0,0|1,0,1]=3 1628 B11R0.62 CCCC(C)CO[C@@H](C)COC ea69f33b38721a0c0c78cd62ebf68e02 [0,1,0,0,0,0|2,0,1]=4 1629 B11R0.62 CCCC(C)CO[C@H](C)CCC 247eea56da67c6a40d61884f244b0813 [0,1,0,0,0,0|1,0,1]=3 1630 B11R0.62 CCCC(C)CO[C@H](C)COC 9ad492150ccbb0de425a161f38b102b3 [0,1,0,0,0,0|2,0,1]=4 1631 B11R0.62 CCCC(C)NCC(=O)COC 432bf82a1a92312de276c2dae829066f [0,1,0,0,0,0|3,0,0]=4 1632 B11R0.62 CCCC(C)NCC(=O)NCC ab1f9eb1d29a69daafcbc853180f4461 [0,1,0,0,0,0|3,0,0]=4 1633 B11R0.62 CCCC(C)NCC(=O)OCC 1466e7da9bc0611f9bd8bf212eb7b390 [0,1,0,0,0,0|3,0,0]=4 1634 B11R0.62 CCCC(C)OCC(=O)COC 9b8d89769f63c563b06f445cdfb8771a [0,1,0,0,0,0|3,0,0]=4 1635 B11R0.62 CCCC(C)OCC(=O)NCC 580b0b17ff4033bf69573630acd1cb41 [0,1,0,0,0,0|3,0,0]=4 1636 B11R0.62 CCCC(C)OCC(=O)OCC 4586f4226b99b0b6e1f84961c98bd4e7 [0,1,0,0,0,0|3,0,0]=4 1637 B11R0.62 CCCC(C)OCC(C)OCC 868017a7a3d8a80dad77097e8bdc9871 [0,1,0,0,0,0|2,0,1]=4 1638 B11R0.62 CCCC(C)OC[C@@H](O)CCO 7b5291f257c6f740780fab1aca1767b5 [0,1,0,0,0,0|2,0,1]=4 1639 B11R0.62 CCCC(O)CNC(=O)CC#N 24374e8e66d1e36214c60897e48c36d1 [0,1,0,0,0,0|2,0,1]=4 1640 B11R0.62 CCCC(O)CNC(=O)CC=O 7b80dbfab7bcc30d469e3c08a964ed17 [0,1,0,0,0,0|2,0,1]=4 1641 B11R0.62 CCCC(O)CNC(=O)CCF 86d0c022d84ddeb4c1d0cf549484e865 [0,1,0,0,0,0|2,0,0]=3 1642 B11R0.62 CCCC(O)CNC(=O)CCO 974ffa0a02f5d2419682d501ed47d0b4 [0,1,0,0,0,0|2,0,0]=3 1643 B11R0.62 CCCC(O)CNC(=O)CCS 5437c42a35a9875549c9f63bd20c014f [0,1,0,0,0,0|2,0,0]=3 1644 B11R0.62 CCCC(O)CNC(=O)COC 6ba64c6ad6e43d7f14cae1e4e516b59e [0,1,0,0,0,0|2,0,0]=3 1645 B11R0.62 CCCC(O)CNC(=O)CON 8c943c1d0d4c8e7ada6ad5784017892d [0,1,0,0,0,0|3,0,0]=4 1646 B11R0.62 CCCC(O)CNC(=O)CSC d401cb41b399bfffc0b2977ed25b6354 [0,1,0,0,0,0|2,0,0]=3 1647 B11R0.62 CCCC(O)CNC(C)CCC da12c8b704b620b8922bf8ccab96242c [0,1,0,0,0,0|2,0,1]=4 1648 B11R0.62 CCCN(C)CCC(=O)NCC 1bd80fa459c81663c09e9bdc7cc88db1 [0,1,0,0,0,0|3,0,0]=4 1649 B11R0.62 CCCN(C)CCC(=O)OCC 14094970035f583cd4542bf75bcb2b18 [0,1,0,0,0,0|3,0,0]=4 1650 B11R0.62 CCCN(C)COC(=O)OCC c05e4893d29622f6fc5984c750d7a60e [0,1,0,0,0,0|2,0,0]=3 1651 B11R0.62 CCCN(C)COC(=O)SCC 1cf50c2c9a3cf95e5a77194f9b4a228d [0,1,0,0,0,0|2,0,0]=3 1652 B11R0.62 CCC[C@@H](C)OCC(=O)COC f1c299ffbc4d446971094ee2674fea41 [0,1,0,0,0,0|3,0,0]=4 1653 B11R0.62 CCC[C@@H](C)OCC(=O)NCC 3c60785c5317a71bf18f3514eb2a4e08 [0,1,0,0,0,0|3,0,0]=4 1654 B11R0.62 CCC[C@@H](C)OCC(=O)OCC 117854438b5e57e82698512a18bdb091 [0,1,0,0,0,0|3,0,0]=4 1655 B11R0.62 CCC[C@@H](C)OC[C@@H](O)CCO bef004ecfb3e2b3637d7c866e2e0e3a0 [0,1,0,0,0,0|2,0,1]=4 1656 B11R0.62 CCC[C@H](C)NCC(=O)COC c5ab050202d1dd1ae4396171e9cbe6c8 [0,1,0,0,0,0|3,0,0]=4 1657 B11R0.62 CCC[C@H](C)NCC(=O)NCC aefc4c136b122b167492988746b22cec [0,1,0,0,0,0|3,0,0]=4 1658 B11R0.62 CCC[C@H](C)NCC(=O)OCC 84d0944129be6ca109c315b6adc7184f [0,1,0,0,0,0|3,0,0]=4 1659 B11R0.62 CCC[C@H](C)OCC(=O)COC 0cb6be37d7cf601ce4ce142b094697e8 [0,1,0,0,0,0|3,0,0]=4 1660 B11R0.62 CCC[C@H](C)OCC(=O)NCC 0c455e40df9595aacbe1f99f4fa8aae7 [0,1,0,0,0,0|3,0,0]=4 1661 B11R0.62 CCC[C@H](C)OCC(=O)OCC 4f8e65c4f7fb19978641c08a99e6fd3d [0,1,0,0,0,0|3,0,0]=4 1662 B11R0.62 CCC[C@H](C)OC[C@@H](O)CCO 20b13a4d26d744780f77af9731637c2e [0,1,0,0,0,0|2,0,1]=4 1663 B11R0.62 CCOC(=O)OCN(C)CCF 7d87e76970ae5c8a30ab151a5a2b6304 [0,1,0,0,0,0|3,0,0]=4 1664 B11R0.62 CCOC(=O)OCN(C)CCO 708ff39f45618ceec395bc8121ae73ff [0,1,0,0,0,0|3,0,0]=4 1665 B11R0.62 CCOC(C)CNC(=O)CCF 9f9e5842627c2f100d01d35b2804c156 [0,1,0,0,0,0|3,0,0]=4 1666 B11R0.62 CCOC(C)CNC(=O)CCO 9b626c53ae0ec0ebea9e28c587c9d0d8 [0,1,0,0,0,0|3,0,0]=4 1667 B11R0.62 CCOC(C)CNC(=O)CCS 3851040f14158b6fce997ad4593e9fce [0,1,0,0,0,0|3,0,0]=4 1668 B11R0.62 CCOC(C)CNC(=O)COC 0b035c1dbe10491a8897c4225dde9498 [0,1,0,0,0,0|3,0,0]=4 1669 B11R0.62 CCOC(C)CNC(=O)CSC cd443a08c125798f62fe7dfc07c6ccf4 [0,1,0,0,0,0|3,0,0]=4 1670 B11R0.62 CCSC(=O)OCN(C)CCF eab992d208e6796faa90b8170f8729e9 [0,1,0,0,0,0|3,0,0]=4 1671 B11R0.62 CCSC(=O)OCN(C)CCO ba6b594e7aeb12e7ed57aa231c3b83d1 [0,1,0,0,0,0|3,0,0]=4 1672 B11R0.62 COCC(=O)NCC(C)CCO 5d8301c1fc02b1887474072f882d7e9c [0,1,0,0,0,0|3,0,0]=4 1673 B11R0.62 COCC(=O)NCC(O)COC 0af4e990b19ae563ee0119a1bfff3eed [0,1,0,0,0,0|3,0,0]=4 1674 B11R0.62 COCC(=O)NC[C@H](O)COC 22ed97162a19e15aa15c530c280a7860 [0,1,0,0,0,0|3,0,0]=4 1675 B11R0.62 COCC(O)CNC(=O)CCF fa710020662c96d822ac5fdf19829a09 [0,1,0,0,0,0|3,0,0]=4 1676 B11R0.62 COCC(O)CNC(=O)CCO 229f52ea3925ddc8781fadd9d1d3af5d [0,1,0,0,0,0|3,0,0]=4 1677 B11R0.62 COCC(O)CNC(=O)CCS ac3ef4dcfd1d4fc4022048ce2d9ad751 [0,1,0,0,0,0|3,0,0]=4 1678 B11R0.62 COCC(O)CNC(=O)CSC d1e63b394f3eea47e3e1c4ccd8c28318 [0,1,0,0,0,0|3,0,0]=4 1679 B11R0.62 COC[C@@H](O)CNC(=O)CCF fa974a490605fc99b8d4f15dee80bad9 [0,1,0,0,0,0|3,0,0]=4 1680 B11R0.62 COC[C@@H](O)CNC(=O)CCO 568596228eb297468dd810c0dab0c7fc [0,1,0,0,0,0|3,0,0]=4 1681 B11R0.62 COC[C@@H](O)CNC(=O)CCS 2caf8bc0f6422790ac220804f96b8e49 [0,1,0,0,0,0|3,0,0]=4 1682 B11R0.62 COC[C@@H](O)CNC(=O)CSC e839402850c44921bcfcdeb78ef257be [0,1,0,0,0,0|3,0,0]=4 1683 B11R0.62 CSCC(=O)NCC(C)CCO 208b408f21755279c567c078272b0cce [0,1,0,0,0,0|3,0,0]=4 1684 B11R0.81 C#CCCC(=O)CCOCCC 9ec7f839be61337badc09eda437d48c5 [0,1,0,0,0,0|2,0,1]=4 1685 B11R0.81 C#CCCC(=O)NCCCCC 3121f7ea77c076ecb80d6df1e79199cc [0,1,0,0,0,0|1,0,1]=3 1686 B11R0.81 C#CCCC(=O)NCCCCCl f05edb6663ac4a7a6eff077c165fd158 [0,1,0,0,0,0|2,0,1]=4 1687 B11R0.81 C#CCCC(=O)NCCCCO b040f7062dd63f06923c8beb465b97ea [0,1,0,0,0,0|2,0,1]=4 1688 B11R0.81 C#CCCC(=O)NCCCCS 6e11fe143441542ada6abad8c4835789 [0,1,0,0,0,0|2,0,1]=4 1689 B11R0.81 C#CCCC(=O)NCCCOC e73627e9b0db593ac9f03c3be1b59a01 [0,1,0,0,0,0|2,0,1]=4 1690 B11R0.81 C#CCCC(=O)NCCCSC 29cce4bccbffa0e04a5c4d912ee58a2c [0,1,0,0,0,0|2,0,1]=4 1691 B11R0.81 C#CCCC(=O)NCCNCC 2f5805be153593d4380300de868d36f5 [0,1,0,0,0,0|2,0,1]=4 1692 B11R0.81 C#CCCC(=O)NCCOCC 4c97d3d9bc7c986bba4672a8b80a51d7 [0,1,0,0,0,0|2,0,1]=4 1693 B11R0.81 C#CCCC(=O)NCCSCC 1e3a3ec1da3b4f43cf0cb27cdc741b19 [0,1,0,0,0,0|2,0,1]=4 1694 B11R0.81 C#CCCCCC(=O)NCCC 1dbb73605814c967193cad0f336bd06c [0,1,0,0,0,0|1,0,2]=4 1695 B11R0.81 C#CCCCNC(=O)CCCC d5613b824f681dd997bc574ba6a982ed [0,1,0,0,0,0|1,0,2]=4 1696 B11R0.81 C#CCCCNC(=O)CCCF 35c7330ed9265dd8182bf551f344d114 [0,1,0,0,0,0|1,0,2]=4 1697 B11R0.81 C#CCCCNC(=O)CCCS 0b40cf0560ff5d71f87a14a1d2f37703 [0,1,0,0,0,0|1,0,2]=4 1698 B11R0.81 C#CCCCNC(=O)CCOC 530183854011f8000e28b281d1b9827e [0,1,0,0,0,0|1,0,2]=4 1699 B11R0.81 C#CCCCNC(=O)CCSC c7fbac4293af3035cd0de2fdc7609e45 [0,1,0,0,0,0|1,0,2]=4 1700 B11R0.81 C#CCCCNC(=O)COCC 15aa995f9ee2405682f1235bd2b4981a [0,1,0,0,0,0|1,0,2]=4 1701 B11R0.81 C#CCCCNC(=O)CSCC 2dc0610e972df2c8a30f2d2b9d9f5bfc [0,1,0,0,0,0|1,0,2]=4 1702 B11R0.81 C#CCCCNC(=O)NCCC 55d36049030e32965e12995420865f31 [0,1,0,0,0,0|1,0,2]=4 1703 B11R0.81 C#CCNC(=O)CCCCCC b4ba5df459510b38869c766023edf1d3 [0,1,0,0,0,0|1,0,2]=4 1704 B11R0.81 C#CCNC(=O)NCCCCC 03f47746d6d18d530fa1da70fc197490 [0,1,0,0,0,0|1,0,2]=4 1705 B11R0.81 C#CCNCOC(=O)CCCC 0fb5361e2783fd84a2461216cec53d45 [0,1,0,0,0,0|1,0,2]=4 1706 B11R0.81 C#CCNCOC(=O)OCCC 25dfce82077eb373177f51c3c5c09dab [0,1,0,0,0,0|1,0,2]=4 1707 B11R0.81 C#CCOCOC(=O)CCCC 5186f395ab6b04ce57d7704a66c78c97 [0,1,0,0,0,0|1,0,2]=4 1708 B11R0.81 C#CCOCOC(=O)OCCC 4f72a52bb1b48638dc7e880418409a3f [0,1,0,0,0,0|1,0,2]=4 1709 B11R0.81 C/C=C/CC(=O)NCCCCC 774328c90bf0e133b0d7bc3d5e34ebd5 [0,1,0,0,0,0|1,0,1]=3 1710 B11R0.81 C/C=C/CC(=O)NCCCCCl 65f053231c214aa500f4c20d2fdaed28 [0,1,0,0,0,0|2,0,1]=4 1711 B11R0.81 C/C=C/CC(=O)NCCCCO bcb4f12b6a062eaf13f80eb7392e2ce0 [0,1,0,0,0,0|2,0,1]=4 1712 B11R0.81 C/C=C/CC(=O)NCCCCS cf07fdf72437ffb578acd048443ee0cd [0,1,0,0,0,0|2,0,1]=4 1713 B11R0.81 C/C=C/CC(=O)NCCCOC 81ec0410e04c95941050793d20a5705d [0,1,0,0,0,0|2,0,1]=4 1714 B11R0.81 C/C=C/CC(=O)NCCCSC 5fe87d477e2739631d32457311d4ed45 [0,1,0,0,0,0|2,0,1]=4 1715 B11R0.81 C/C=C/CC(=O)NCCOCC 2b5d992883f44ef38e6ac5982a9e6513 [0,1,0,0,0,0|2,0,1]=4 1716 B11R0.81 C/C=C/CC(=O)NCCSCC 1ca2155a032afd87b5f53b728e6a5bb3 [0,1,0,0,0,0|2,0,1]=4 1717 B11R0.81 C/C=C/CCCC(=O)NCCC 320cd7ca372be81d7dd0b97c4069ce50 [0,1,0,0,0,0|1,0,2]=4 1718 B11R0.81 C=CCCC(=O)NCCCCC 8331c8a4efa9f058d9d4ef6f4946e414 [0,1,0,0,0,0|1,0,1]=3 1719 B11R0.81 C=CCCC(=O)NCCCCCl 530c3bc456d0a5930076698da9dc8382 [0,1,0,0,0,0|2,0,1]=4 1720 B11R0.81 C=CCCC(=O)NCCCCO 78827531924271088dd2dd6fd3447857 [0,1,0,0,0,0|2,0,1]=4 1721 B11R0.81 C=CCCC(=O)NCCCCS 88787c9df61503ce8bd02c9dc3f470cc [0,1,0,0,0,0|2,0,1]=4 1722 B11R0.81 C=CCCC(=O)NCCCOC 1bed3c52904236672173e32b5257468b [0,1,0,0,0,0|2,0,1]=4 1723 B11R0.81 C=CCCC(=O)NCCCSC 242361745df08dc64416b452c936caf4 [0,1,0,0,0,0|2,0,1]=4 1724 B11R0.81 C=CCCC(=O)NCCOCC 2c871c1c9cb784b14229731638c0365f [0,1,0,0,0,0|2,0,1]=4 1725 B11R0.81 C=CCCC(=O)NCCSCC e22c142cdfc83ab9a76b1bbded24cc57 [0,1,0,0,0,0|2,0,1]=4 1726 B11R0.81 C=CCCC(C)OCCCCC 5c3621609950ec1f6b4d1c06599c428c [0,1,0,0,0,0|1,0,2]=4 1727 B11R0.81 C=CCCCCC(=O)NCCC 28a0bb638f79250ce6f15a0997bbd7ad [0,1,0,0,0,0|1,0,2]=4 1728 B11R0.81 C=CCCCNC(=O)CCCC 8e95d6f6c8d2bd1d97d3691b7880b49e [0,1,0,0,0,0|1,0,2]=4 1729 B11R0.81 C=CCCCNC(=O)CCCF 51d18c4c76e09e869708e283fbfe0609 [0,1,0,0,0,0|1,0,2]=4 1730 B11R0.81 C=CCCCNC(=O)CCCS ab7d864ff19c29eb13a42be501e027e2 [0,1,0,0,0,0|1,0,2]=4 1731 B11R0.81 C=CCCCNC(=O)CCOC 5306300b2a9c3ce9728c0ba49fa631d5 [0,1,0,0,0,0|1,0,2]=4 1732 B11R0.81 C=CCCCNC(=O)CCSC 8fe2732b79779119ff34831027d5c343 [0,1,0,0,0,0|1,0,2]=4 1733 B11R0.81 C=CCCCNC(=O)COCC fcda456641e0ed7659cfe2d09134160e [0,1,0,0,0,0|1,0,2]=4 1734 B11R0.81 C=CCCCNC(=O)CSCC ba90a801e8fee26158e726b8c5ca751d [0,1,0,0,0,0|1,0,2]=4 1735 B11R0.81 C=CCCCNC(=O)NCCC 05d9568f66fe8865babda8532fe09651 [0,1,0,0,0,0|1,0,2]=4 1736 B11R0.81 C=CCC[C@@H](C)OCCCCC 1ba9be83b2eefe0ba6693ec19df98046 [0,1,0,0,0,0|1,0,2]=4 1737 B11R0.81 CC#CCC(=O)NCCCCC 96d7b3587e44b3a746a6efa72fbdfada [0,1,0,0,0,0|1,0,1]=3 1738 B11R0.81 CC#CCC(=O)NCCCCCl 92056183f508788914ce13f5187711f7 [0,1,0,0,0,0|2,0,1]=4 1739 B11R0.81 CC#CCC(=O)NCCCCO 578aedbe4fd53d1eacf5f1f5102012f4 [0,1,0,0,0,0|2,0,1]=4 1740 B11R0.81 CC#CCC(=O)NCCCCS dcc48909cbac7e5f14c9cd3dbf0d1855 [0,1,0,0,0,0|2,0,1]=4 1741 B11R0.81 CC#CCC(=O)NCCCOC 8c57f943c300fcf6ae6a269d161f152a [0,1,0,0,0,0|2,0,1]=4 1742 B11R0.81 CC#CCC(=O)NCCCSC 5994d5d58965c7c3da1362b5568c7417 [0,1,0,0,0,0|2,0,1]=4 1743 B11R0.81 CC#CCC(=O)NCCOCC 89cd895d4bd193742fa737dcd14bdd98 [0,1,0,0,0,0|2,0,1]=4 1744 B11R0.81 CC#CCC(=O)NCCSCC 9fcf11bc88e8736ee665a31a107153bb [0,1,0,0,0,0|2,0,1]=4 1745 B11R0.81 CC/C=C/C(=O)NCCCCC 63095eac04d1c62a52939bfac6587eba [0,1,0,0,0,0|1,0,1]=3 1746 B11R0.81 CC/C=C/C(=O)NCCCCCl 530e6aa8efa21a898ca44d10eaec5e97 [0,1,0,0,0,0|2,0,1]=4 1747 B11R0.81 CC/C=C/C(=O)NCCCCO 32674d6fe204d7a33bfbc30a2b2f156c [0,1,0,0,0,0|2,0,1]=4 1748 B11R0.81 CC/C=C/C(=O)NCCCCS 828d5f77bcf4dac7ca4a5b2f944c19ee [0,1,0,0,0,0|2,0,1]=4 1749 B11R0.81 CC/C=C/C(=O)NCCCOC 0b275895b33cc59cdcd06ad7ea886fba [0,1,0,0,0,0|2,0,1]=4 1750 B11R0.81 CC/C=C/C(=O)NCCCSC 2e46da48688fc51429e559811104f8a9 [0,1,0,0,0,0|2,0,1]=4 1751 B11R0.81 CC/C=C/C(=O)NCCOCC 846144aca1c3a68135ccbb0e2bd0b2c3 [0,1,0,0,0,0|2,0,1]=4 1752 B11R0.81 CC/C=C/C(=O)NCCSCC 193d1dd7231bb6d9b2069755722d1d34 [0,1,0,0,0,0|2,0,1]=4 1753 B11R0.81 CC/C=C\C(=O)NCCCCC 00a2c477e9b53f6a09878b7b0fed634a [0,1,0,0,0,0|1,0,1]=3 1754 B11R0.81 CC/C=C\C(=O)NCCCCCl 5dd56b4b36b7de275d65937496c832b8 [0,1,0,0,0,0|2,0,1]=4 1755 B11R0.81 CC/C=C\C(=O)NCCCCO 8157c7395f76566640024a7ddccca6b8 [0,1,0,0,0,0|2,0,1]=4 1756 B11R0.81 CC/C=C\C(=O)NCCCCS 3a841bf83cc7e8687c328ad2a4fc6814 [0,1,0,0,0,0|2,0,1]=4 1757 B11R0.81 CC/C=C\C(=O)NCCCOC 679e5c5b24c9fb639f5f1c18e904ba51 [0,1,0,0,0,0|2,0,1]=4 1758 B11R0.81 CC/C=C\C(=O)NCCCSC a86d1a5f6e8b9c9cc39e8cfd8b3d8b43 [0,1,0,0,0,0|2,0,1]=4 1759 B11R0.81 CC/C=C\C(=O)NCCOCC 66eeff53ed57f47ab1b5897af98af8ff [0,1,0,0,0,0|2,0,1]=4 1760 B11R0.81 CC/C=C\C(=O)NCCSCC a2b4c0e87a160a78f800a267f41e65f3 [0,1,0,0,0,0|2,0,1]=4 1761 B11R0.81 CCC#CC(=O)NCCCCC 7458a67d0f9814e5b6cd4cf10b95ddb1 [0,1,0,0,0,0|1,0,1]=3 1762 B11R0.81 CCC#CC(=O)NCCCCCl f2432522c7e818a0cc8529f38ff5edfa [0,1,0,0,0,0|2,0,1]=4 1763 B11R0.81 CCC#CC(=O)NCCCCO b02aa8759c8dbf74e4b826404584fa32 [0,1,0,0,0,0|2,0,1]=4 1764 B11R0.81 CCC#CC(=O)NCCCCS 03bafac6f19995436436f110139ad5bf [0,1,0,0,0,0|2,0,1]=4 1765 B11R0.81 CCC#CC(=O)NCCCOC 1aa40d2f846296f9045826a1c7a24991 [0,1,0,0,0,0|2,0,1]=4 1766 B11R0.81 CCC#CC(=O)NCCCSC 6db5e48bdf17e6789b4a15cec182faf4 [0,1,0,0,0,0|2,0,1]=4 1767 B11R0.81 CCC#CC(=O)NCCOCC 47a43ff9d028c6f37cb1b601bd4851ee [0,1,0,0,0,0|2,0,1]=4 1768 B11R0.81 CCC#CC(=O)NCCSCC 6b5737db2b59932e12575c98f78a6b1c [0,1,0,0,0,0|2,0,1]=4 1769 B11R0.81 CCC#CC(C)OCCCCC 52ff3e86248d7367483aa42a10d8f0a3 [0,1,0,0,0,0|1,0,2]=4 1770 B11R0.81 CCC/C=C/CC(=O)NCCC 40794eac8680af8f7b27b0cc3497eac7 [0,1,0,0,0,0|1,0,2]=4 1771 B11R0.81 CCC=CC(=O)NCCCCC d5f9dee0e9e7159b1708be5a61788ec4 [0,1,0,0,0,0|1,0,1]=3 1772 B11R0.81 CCC=CC(=O)NCCCCCl 0a9cceecaab9a73ff6584d113f1ad04e [0,1,0,0,0,0|2,0,1]=4 1773 B11R0.81 CCC=CC(=O)NCCCCO d4282e832d3d40aeca59b6ea2b8a5eed [0,1,0,0,0,0|2,0,1]=4 1774 B11R0.81 CCC=CC(=O)NCCCCS 6beabee43f36dc96d746b162517160d3 [0,1,0,0,0,0|2,0,1]=4 1775 B11R0.81 CCC=CC(=O)NCCCOC 58773b9f1a81f3a06d132043ad40eba0 [0,1,0,0,0,0|2,0,1]=4 1776 B11R0.81 CCC=CC(=O)NCCCSC 5b8b563e415bc37afc3359fb5e4ed5fb [0,1,0,0,0,0|2,0,1]=4 1777 B11R0.81 CCC=CC(=O)NCCOCC 650b9f8be20e764fafe537d04ccc4e01 [0,1,0,0,0,0|2,0,1]=4 1778 B11R0.81 CCC=CC(=O)NCCSCC ea4efb4673695caa5333f025c99caa05 [0,1,0,0,0,0|2,0,1]=4 1779 B11R0.81 CCCC/C=C/C(=O)NCCBr 0c381d32cc38779a003fab9dfde89b53 [0,1,0,0,0,0|2,0,1]=4 1780 B11R0.81 CCCC/C=C/C(=O)NCCC 96ad6cfe920fad2b1e8dcae5661c3046 [0,1,0,0,0,0|1,0,1]=3 1781 B11R0.81 CCCC/C=C/C(=O)NCCF 7f540158a6dc6ac7f335352f92019ac1 [0,1,0,0,0,0|2,0,1]=4 1782 B11R0.81 CCCC/C=C/C(=O)NCCI 05efed6e66427acff4ae21dfc4bceceb [0,1,0,0,0,0|2,0,1]=4 1783 B11R0.81 CCCC/C=C/C(=O)NCCO 7aa9a542977b61455a5567adbfa839b4 [0,1,0,0,0,0|2,0,1]=4 1784 B11R0.81 CCCC/C=C/C(=O)NCCS 987dc789e05eea1bfdb26b7bde9ac040 [0,1,0,0,0,0|2,0,1]=4 1785 B11R0.81 CCCCC#CC(=O)NCCBr bba65b5ff90a7cdc07df7c18abd999b6 [0,1,0,0,0,0|2,0,1]=4 1786 B11R0.81 CCCCC#CC(=O)NCCC 7705f0150ec4caaab8a5325172b0dc30 [0,1,0,0,0,0|1,0,1]=3 1787 B11R0.81 CCCCC#CC(=O)NCCF b612ba4b14ca05e20115b3c69d2fe205 [0,1,0,0,0,0|2,0,1]=4 1788 B11R0.81 CCCCC#CC(=O)NCCI 46d32febbb911ac5d6878e2580056fcd [0,1,0,0,0,0|2,0,1]=4 1789 B11R0.81 CCCCC#CC(=O)NCCO 5ad72106306c70b29b81cd37bd36e1dd [0,1,0,0,0,0|2,0,1]=4 1790 B11R0.81 CCCCC#CC(=O)NCCS c9329cecdb3912f088627793292c858c [0,1,0,0,0,0|2,0,1]=4 1791 B11R0.81 CCCCC(=O)NCCCC#N 69b29f419da5ba081b9996b37b3ceb11 [0,1,0,0,0,0|2,0,1]=4 1792 B11R0.81 CCCCC(=O)NCCCCCl b9536b0c8f50ac92230f25eea98ed7d1 [0,1,0,0,0,0|2,0,0]=3 1793 B11R0.81 CCCCC(=O)NCCCCO fa42fcd441c7069b7e8d15f43c375c64 [0,1,0,0,0,0|2,0,0]=3 1794 B11R0.81 CCCCC(=O)NCCCCS ce90c047aecddf54e66da494b3c8c31b [0,1,0,0,0,0|2,0,0]=3 1795 B11R0.81 CCCCC(=O)NCCCOC d86159687395af2cdbf73960d6c053a1 [0,1,0,0,0,0|2,0,0]=3 1796 B11R0.81 CCCCC(=O)NCCCSC be82751f82a49c9ebe55528be38267ca [0,1,0,0,0,0|2,0,0]=3 1797 B11R0.81 CCCCC(=O)NCCOCC bcdbd9d41426e95de40e68225afe50a3 [0,1,0,0,0,0|2,0,0]=3 1798 B11R0.81 CCCCC(=O)NCCSCC 3dc1a80f6b8f71092a353e3e3c630639 [0,1,0,0,0,0|2,0,0]=3 1799 B11R0.81 CCCCC(=O)OCNCC#N 8dc8d028f54656ffd4d337d27d02432a [0,1,0,0,0,0|2,0,1]=4 1800 B11R0.81 CCCCC(=O)OCNCCBr b35cf5afed991c05e50b5e7336955d2a [0,1,0,0,0,0|2,0,0]=3 1801 B11R0.81 CCCCC(=O)OCNCCC 189a0251ea5eef3ed179b78ec37eca6d [0,1,0,0,0,0|1,0,0]=2 1802 B11R0.81 CCCCC(=O)OCNCCF 92476339d76daf98486af68d9dd3ae23 [0,1,0,0,0,0|2,0,0]=3 1803 B11R0.81 CCCCC(=O)OCNCCI ec98e23477297f49500e4903c8c00086 [0,1,0,0,0,0|2,0,0]=3 1804 B11R0.81 CCCCC(=O)OCNCCO a2247b6664afd75a70edee19128d94db [0,1,0,0,0,0|2,0,0]=3 1805 B11R0.81 CCCCC(=O)OCNCCS 031b8d3582f8442adf31521fd13d67be [0,1,0,0,0,0|2,0,0]=3 1806 B11R0.81 CCCCC(=O)OCOCC#N 98aa2b79ea47d7ea959b7ce11683b77a [0,1,0,0,0,0|2,0,1]=4 1807 B11R0.81 CCCCC(=O)OCOCCC 0911490fac5c15eab77dc944203f025f [0,1,0,0,0,0|1,0,0]=2 1808 B11R0.81 CCCCC(=O)OCOCCF fc55082c71c8f0e3cdddb51d90ead405 [0,1,0,0,0,0|2,0,0]=3 1809 B11R0.81 CCCCC(=O)OCOCCS df7a84fef8a135f7e1b5bf5951308452 [0,1,0,0,0,0|2,0,0]=3 1810 B11R0.81 CCCCC(=O)OCOCOC b548ff67261092eea409be64a3c75113 [0,1,0,0,0,0|2,0,0]=3 1811 B11R0.81 CCCCC(C)OCCCCF 4eb0d7c022c2c0cd59c21a4a30bf589c [0,1,0,0,0,0|2,0,1]=4 1812 B11R0.81 CCCCC(C)OCCCCS 2b860579f8f8d90f74790350351557b3 [0,1,0,0,0,0|2,0,1]=4 1813 B11R0.81 CCCCC(C)OCCCOC 5fd16314a9f42f2ed09d5b7e6e648d65 [0,1,0,0,0,0|2,0,1]=4 1814 B11R0.81 CCCCC(C)OCCCSC 50420dc208f0b069e60256ebb2f626c2 [0,1,0,0,0,0|2,0,1]=4 1815 B11R0.81 CCCCC(C)OCCOCC dbba43750acd2575431f76bcf49c2b77 [0,1,0,0,0,0|2,0,1]=4 1816 B11R0.81 CCCCC(C)OCCSCC 00fec32fbad71cf764d7828b6e17dc07 [0,1,0,0,0,0|2,0,1]=4 1817 B11R0.81 CCCCC=CC(=O)NCCBr 2b3e3c9274507bf53e050e094fc7e606 [0,1,0,0,0,0|2,0,1]=4 1818 B11R0.81 CCCCC=CC(=O)NCCC 4a74f82ed7748f3262f04de1576686f7 [0,1,0,0,0,0|1,0,1]=3 1819 B11R0.81 CCCCC=CC(=O)NCCF 5d3e1bdb7dceb622e49cbad494c3fd8f [0,1,0,0,0,0|2,0,1]=4 1820 B11R0.81 CCCCC=CC(=O)NCCI 3f023c407298c662ece7b9e87f042606 [0,1,0,0,0,0|2,0,1]=4 1821 B11R0.81 CCCCC=CC(=O)NCCO 593a54a8efde277bc6083139c5548de3 [0,1,0,0,0,0|2,0,1]=4 1822 B11R0.81 CCCCC=CC(=O)NCCS 3c0bac9435a7d1d9ded93f1966e29dc0 [0,1,0,0,0,0|2,0,1]=4 1823 B11R0.81 CCCCCCC(=O)NCC#N 5a5547990c18290cb12901a8d3539fa4 [0,1,0,0,0,0|2,0,1]=4 1824 B11R0.81 CCCCCCC(=O)NCCBr d79aaed702952d6862f568471d9edfa5 [0,1,0,0,0,0|2,0,0]=3 1825 B11R0.81 CCCCCCC(=O)NCCC 87d8790730f902707f59eb54172a1efa [0,1,0,0,0,0|1,0,0]=2 1826 B11R0.81 CCCCCCC(=O)NCCF 3a778e51e527334d4841b17c7b1ad87a [0,1,0,0,0,0|2,0,0]=3 1827 B11R0.81 CCCCCCC(=O)NCCI 520757295254017557cf28c508dc62ed [0,1,0,0,0,0|2,0,0]=3 1828 B11R0.81 CCCCCCC(=O)NCCO f49bad3fe55d361225eacdb6b24aebd1 [0,1,0,0,0,0|2,0,0]=3 1829 B11R0.81 CCCCCCC(=O)NCCS 9c8c9533bc6d8ec6506ca7c240541ac4 [0,1,0,0,0,0|2,0,0]=3 1830 B11R0.81 CCCCCCC(C)COCC 77f334f632b571e05de48ea67149c2d4 [0,1,0,0,0,0|2,0,1]=4 1831 B11R0.81 CCCCCCC(C)NCCC 673986824879f3e79ccf765f60ced912 [0,1,0,0,0,0|2,0,1]=4 1832 B11R0.81 CCCCCCC(C)OCCC ba224077acd3b740d8e3fb9b4d425b85 [0,1,0,0,0,0|2,0,1]=4 1833 B11R0.81 CCCCCCN(C)CCCC 68edc7b90c1a605cb81ae90468df06f8 [0,1,0,0,0,0|3,0,0]=4 1834 B11R0.81 CCCCCCN(C)CCCF 583474e4b7560d3427b50323904bfdf4 [0,1,0,0,0,0|3,0,0]=4 1835 B11R0.81 CCCCCCN(C)CCCO 2aef5358383be552dd30ac8ca9e5f873 [0,1,0,0,0,0|3,0,0]=4 1836 B11R0.81 CCCCCCN(C)CCCS 37c2fe9c9b56afed7f06f42013189e6a [0,1,0,0,0,0|3,0,0]=4 1837 B11R0.81 CCCCCCN(C)CCOC aee48fbcbffa16ff63420a04725f1cc8 [0,1,0,0,0,0|3,0,0]=4 1838 B11R0.81 CCCCCCN(C)CCSC c3dbb3b0530a270c42e2199568426497 [0,1,0,0,0,0|3,0,0]=4 1839 B11R0.81 CCCCCCN(C)COCC 4256dc792678229268def9256538aa89 [0,1,0,0,0,0|3,0,0]=4 1840 B11R0.81 CCCCCC[C@@H](C)NCCC 7405a222267b08859e40d01e337c8630 [0,1,0,0,0,0|2,0,1]=4 1841 B11R0.81 CCCCCC[C@@H](C)OCCC 2e5a993043dda8cbe04b4c5a7ec49973 [0,1,0,0,0,0|2,0,1]=4 1842 B11R0.81 CCCCCC[C@H](C)NCCC be780c73d2e2093087ff3f7aa1472464 [0,1,0,0,0,0|2,0,1]=4 1843 B11R0.81 CCCCCC[C@H](C)OCCC d12d50ac24407591cb230f2d190f19fa [0,1,0,0,0,0|2,0,1]=4 1844 B11R0.81 CCCCCNC(=O)/C=C/CF 8af28443ae2eb2b2d49b35a6fcd6db19 [0,1,0,0,0,0|1,0,2]=4 1845 B11R0.81 CCCCCNC(=O)/C=C/CO a41f5197cf0d690cfca6c7f3174709bc [0,1,0,0,0,0|1,0,2]=4 1846 B11R0.81 CCCCCNC(=O)/C=C/OC 7425a12715f801d68b5865f5b994b883 [0,1,0,0,0,0|1,0,2]=4 1847 B11R0.81 CCCCCNC(=O)C#CCO 5be1f96cef22942ac5b427cae0590ada [0,1,0,0,0,0|1,0,2]=4 1848 B11R0.81 CCCCCNC(=O)C=CCO 2e84c976f12d11f7b50b54648b6d2afa [0,1,0,0,0,0|1,0,2]=4 1849 B11R0.81 CCCCCNC(=O)C=COC b75738bd00a7e9032e8be9cd6d8628f6 [0,1,0,0,0,0|1,0,2]=4 1850 B11R0.81 CCCCCNC(=O)CCC#N 2fe660453d24f69d43c92da00f816b29 [0,1,0,0,0,0|1,0,1]=3 1851 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [0,1,0,0,0,0|1,0,1]=3 1852 B11R0.81 CCCCCNC(=O)CCCC a06834419102a1558a19fb3a1406cfb0 [0,1,0,0,0,0|1,0,0]=2 1853 B11R0.81 CCCCCNC(=O)CCCF cb3b728da5cd7a0af32935f0696071b9 [0,1,0,0,0,0|1,0,0]=2 1854 B11R0.81 CCCCCNC(=O)CCCS 2ce8fa8be7e233b98c683adc51803bf5 [0,1,0,0,0,0|1,0,0]=2 1855 B11R0.81 CCCCCNC(=O)CCOC 99bac40aabd096dca01631fdf32d2a4b [0,1,0,0,0,0|1,0,0]=2 1856 B11R0.81 CCCCCNC(=O)CCSC 307383e6c5c252e00e4647926ad02c1d [0,1,0,0,0,0|1,0,0]=2 1857 B11R0.81 CCCCCNC(=O)CNC#N dab6c4d178eb84c6c66583d07d72b5d5 [0,1,0,0,0,0|2,0,1]=4 1858 B11R0.81 CCCCCNC(=O)CNC=O 7e3a231926715d44376afd8fa12e0ddf [0,1,0,0,0,0|2,0,1]=4 1859 B11R0.81 CCCCCNC(=O)COCC 11ebeee9fef7d60698beadcb88e4cda2 [0,1,0,0,0,0|1,0,0]=2 1860 B11R0.81 CCCCCNC(=O)CSCC bf3d4e842c78e9ee2405e5f2f5ac3c0b [0,1,0,0,0,0|1,0,0]=2 1861 B11R0.81 CCCCCNC(=O)CSSC 213fed2b239e133e90d67490111e539f [0,1,0,0,0,0|2,0,0]=3 1862 B11R0.81 CCCCCNC(=O)NCC#N 91060b67da8f284071ada1ef971fc029 [0,1,0,0,0,0|2,0,1]=4 1863 B11R0.81 CCCCCNC(=O)NCCC 2fb53f51cf25e3deb1739f07400adf03 [0,1,0,0,0,0|1,0,0]=2 1864 B11R0.81 CCCCCNC(=O)NCCF 0b4c718c69a2ba3827f9360a3aa7f6de [0,1,0,0,0,0|2,0,0]=3 1865 B11R0.81 CCCCCNC(=O)NCCN 0fa5863ecf8ff824f576c603fdbab48c [0,1,0,0,0,0|2,0,0]=3 1866 B11R0.81 CCCCCNC(=O)NCCO 7bed3c4d3d74ef1f8285ffe585b1af67 [0,1,0,0,0,0|2,0,0]=3 1867 B11R0.81 CCCCCNC(=O)NCCS b0ee850c6a99c273160aae12fd772cda [0,1,0,0,0,0|2,0,0]=3 1868 B11R0.81 CCCCCNC(=S)NCCC ed0ecaf90096623a47ce63768da8393e [0,1,0,0,0,0|1,1,0]=3 1869 B11R0.81 CCCCCNC(=S)NCCF 90a44ab46c8ba088b69c6659e64fa8f5 [0,1,0,0,0,0|2,1,0]=4 1870 B11R0.81 CCCCCNC(=S)NCCN ff15f3803e35092dc92785d88564ef57 [0,1,0,0,0,0|2,1,0]=4 1871 B11R0.81 CCCCCNC(=S)NCCO 613b0776b1ca10c38f608d01c95944b9 [0,1,0,0,0,0|2,1,0]=4 1872 B11R0.81 CCCCCNC(=S)NCCS aceed89a45029c4982610bd3c6671625 [0,1,0,0,0,0|2,1,0]=4 1873 B11R0.81 CCCCCNC(C)CCCC b51643b11e90e217951ac49e9c0fa8df [0,1,0,0,0,0|2,0,1]=4 1874 B11R0.81 CCCCCNC(C)CCCO 406073321f0839fe6087b998442feca1 [0,1,0,0,0,0|2,0,1]=4 1875 B11R0.81 CCCCCN[C@H](C)CCCC a88e430f1a54dc3ca544448f280d28fd [0,1,0,0,0,0|2,0,1]=4 1876 B11R0.81 CCCCCN[C@H](C)CCCO 7315223bb4b33e83083e6a29b9477bde [0,1,0,0,0,0|2,0,1]=4 1877 B11R0.81 CCCCCOC(C)CCC#N 8813d1f36a8440491e3c10ec5e376a6b [0,1,0,0,0,0|1,0,2]=4 1878 B11R0.81 CCCCCOC(C)CCCC c7acc1e25061124a677e93a98c4880c3 [0,1,0,0,0,0|1,0,1]=3 1879 B11R0.81 CCCCCOC(C)CCOC 3555ff59923511d754322ff7e4637c44 [0,1,0,0,0,0|1,0,1]=3 1880 B11R0.81 CCCCCOC(C)CCSC 21797afa09805aa2e8c90995e7cc52f9 [0,1,0,0,0,0|1,0,1]=3 1881 B11R0.81 CCCCCOC(C)COCC 80662504cc64bf3b17cddbdf417cd303 [0,1,0,0,0,0|1,0,1]=3 1882 B11R0.81 CCCCCO[C@@H](C)CCCC a39e9f1d5c06f929dc091d3b55f09321 [0,1,0,0,0,0|1,0,1]=3 1883 B11R0.81 CCCCCO[C@H](C)CCCC f537dfc938a1fd068dc349c4b7b77c37 [0,1,0,0,0,0|1,0,1]=3 1884 B11R0.81 CCCCNCC(=O)CCSC 85cdcea0a9b1cf078809a10dbbdf3702 [0,1,0,0,0,0|2,0,0]=3 1885 B11R0.81 CCCCNCC(=O)NCCC 1203a7b7d7c0248e84b16088ce84c2c6 [0,1,0,0,0,0|2,0,0]=3 1886 B11R0.81 CCCCNCC(=O)NCCO f6162a82353a460c1acb4c7b954ac9d7 [0,1,0,0,0,0|3,0,0]=4 1887 B11R0.81 CCCCNCC(=O)OCCC 5112f77fa578dbe165c4f7b30cf9dcd3 [0,1,0,0,0,0|2,0,0]=3 1888 B11R0.81 CCCCOCC(=O)CCSC dbd0d7739b9bd0f4e7f18e93ebf96429 [0,1,0,0,0,0|2,0,0]=3 1889 B11R0.81 CCCCOCC(=O)NCCBr 36760cee347953899875c7a6baf2be52 [0,1,0,0,0,0|3,0,0]=4 1890 B11R0.81 CCCCOCC(=O)NCCC f056b523414cfd937e64d3e95507274e [0,1,0,0,0,0|2,0,0]=3 1891 B11R0.81 CCCCOCC(=O)NCCF d0f46a978fa7f79cfc41018a3bf32e0b [0,1,0,0,0,0|3,0,0]=4 1892 B11R0.81 CCCCOCC(=O)NCCI 2e3211d82f8259a9d4b8c78d64b512dc [0,1,0,0,0,0|3,0,0]=4 1893 B11R0.81 CCCCOCC(=O)NCCO 4c155cdf47da603c7edf6d1efbf727c7 [0,1,0,0,0,0|3,0,0]=4 1894 B11R0.81 CCCCOCC(=O)NCCS 83aa5e44cc5bfb76c81802b5a9a0c183 [0,1,0,0,0,0|3,0,0]=4 1895 B11R0.81 CCCCOCC(=O)OCCC 2f30b4a3ea1d1302768c7d1388237bfc [0,1,0,0,0,0|2,0,0]=3 1896 B11R0.81 CCCCSCC(=O)NCCBr fc9d64bf7c03e9c445aa10027dc8e6c7 [0,1,0,0,0,0|3,0,0]=4 1897 B11R0.81 CCCCSCC(=O)NCCC 4848b6ae9b9a4132a6a654f6b4b01bb2 [0,1,0,0,0,0|2,0,0]=3 1898 B11R0.81 CCCCSCC(=O)NCCF 902133a83b4c8faa994eac9c4f6684dd [0,1,0,0,0,0|3,0,0]=4 1899 B11R0.81 CCCCSCC(=O)NCCI eb18eb49e32069cc62e1f34f650cee1b [0,1,0,0,0,0|3,0,0]=4 1900 B11R0.81 CCCCSCC(=O)NCCO 12a0aa7a7d1ee3df0aa8b8edb2fab1f6 [0,1,0,0,0,0|3,0,0]=4 1901 B11R0.81 CCCCSCC(=O)NCCS 9ec7fcb8e2cfcfa9a98d8bb34cf5292b [0,1,0,0,0,0|3,0,0]=4 1902 B11R0.81 CCCC[C@@H](C)OCCCCF 7f52bac65ec8084338763b2d0a554303 [0,1,0,0,0,0|2,0,1]=4 1903 B11R0.81 CCCC[C@@H](C)OCCCOC 28fefcc2bee75d3de0b11f5b06669b07 [0,1,0,0,0,0|2,0,1]=4 1904 B11R0.81 CCCC[C@@H](C)OCCCSC 5e928d830a74530968f07864c4e685d3 [0,1,0,0,0,0|2,0,1]=4 1905 B11R0.81 CCCC[C@@H](C)OCCOCC 9a42cd4b604e33cac23cd89ad4684f1d [0,1,0,0,0,0|2,0,1]=4 1906 B11R0.81 CCCC[C@@H](C)OCCSCC 0c7bacedbf026662c629335f79703299 [0,1,0,0,0,0|2,0,1]=4 1907 B11R0.81 CCCC[C@H](C)OCCCCF 66a1103ee6962fc029cef451704ff0a9 [0,1,0,0,0,0|2,0,1]=4 1908 B11R0.81 CCCC[C@H](C)OCCCOC 2e326035fbc44d4a5717b5e254201a67 [0,1,0,0,0,0|2,0,1]=4 1909 B11R0.81 CCCC[C@H](C)OCCCSC b6252492b952dcea5c33941eff732fa8 [0,1,0,0,0,0|2,0,1]=4 1910 B11R0.81 CCCC[C@H](C)OCCOCC 9d1ae575c5f34c17b77ad89ca30fa091 [0,1,0,0,0,0|2,0,1]=4 1911 B11R0.81 CCCC[C@H](C)OCCSCC 924d4d546c762bc8b477026685ab3bb0 [0,1,0,0,0,0|2,0,1]=4 1912 B11R0.81 CCCNC(=O)CCCCC=O f37aa498d6e7d7d0501b70b7c4a5f55f [0,1,0,0,0,0|2,0,1]=4 1913 B11R0.81 CCCNC(=O)CCCCCF baedcab883c63ad1db8337ad163f430a [0,1,0,0,0,0|2,0,0]=3 1914 B11R0.81 CCCNC(=O)CCCCCO a7c6a98522f11fc91ddc59d3a1df544e [0,1,0,0,0,0|2,0,0]=3 1915 B11R0.81 CCCNC(=O)CCCCCS 0c7dd76a2b4a4cc878012c4009f0ab59 [0,1,0,0,0,0|2,0,0]=3 1916 B11R0.81 CCCNC(=O)CCCSSC 8f8be997b177bbc4de5da7b8c40b4dcd [0,1,0,0,0,0|3,0,0]=4 1917 B11R0.81 CCCNC(=O)CCOCCC 42553a8c8b926fca8611ff8d68aeae7a [0,1,0,0,0,0|2,0,0]=3 1918 B11R0.81 CCCNC(=O)CCOCCO 094015acedcfbaf93130fb1f0360d877 [0,1,0,0,0,0|3,0,0]=4 1919 B11R0.81 CCCNC(=O)CCOCCS 5f40d2a871036b77143414aea5a78124 [0,1,0,0,0,0|3,0,0]=4 1920 B11R0.81 CCCNC(=O)CNCCCCl bd9f06e27449f883b3eb3a3de9a76ab2 [0,1,0,0,0,0|3,0,0]=4 1921 B11R0.81 CCCNC(=O)CNCCCF 7c1a6596c5c00fbcfcfab0b6145a677e [0,1,0,0,0,0|3,0,0]=4 1922 B11R0.81 CCCNC(=O)CNCCCO 669e1f58869b6d56cc18a45370f30a17 [0,1,0,0,0,0|3,0,0]=4 1923 B11R0.81 CCCNC(=O)CNCCCS 395cabad765bf5efce4b33fce5a10967 [0,1,0,0,0,0|3,0,0]=4 1924 B11R0.81 CCCNC(=O)CNCCOC 4cbfe21423d6e53e7a1013d3d7b95bb6 [0,1,0,0,0,0|3,0,0]=4 1925 B11R0.81 CCCNC(=O)CNCCSC f99a076a73f42677a85b7c126e7db9c7 [0,1,0,0,0,0|3,0,0]=4 1926 B11R0.81 CCCNC(=O)CNCOCC 41481ad7efe243bde9c9c153fd48866d [0,1,0,0,0,0|3,0,0]=4 1927 B11R0.81 CCCNC(=O)COCCCF 0000ec8366505420b7c2e6a09c2f7961 [0,1,0,0,0,0|3,0,0]=4 1928 B11R0.81 CCCNC(=O)COCCCS de63b71b0f7035966e466ae17d7a3be7 [0,1,0,0,0,0|3,0,0]=4 1929 B11R0.81 CCCNC(=O)COCCOC af33a5b5c0db067923300c8b3b6eec8e [0,1,0,0,0,0|3,0,0]=4 1930 B11R0.81 CCCNC(=O)COCCSC 059b55f6691c8ee758c6b6d54a350136 [0,1,0,0,0,0|3,0,0]=4 1931 B11R0.81 CCCNC(=O)CSCCOC dfd4f0c889bddb2e05fb752976f6468f [0,1,0,0,0,0|3,0,0]=4 1932 B11R0.81 CCCNC(=O)NCCCC#N 4873de3495a7e8e28bf3c689f61f2e46 [0,1,0,0,0,0|2,0,1]=4 1933 B11R0.81 CCCNC(=O)NCCCCN c6443e81cde3125dc7e5f758a813f88b [0,1,0,0,0,0|2,0,0]=3 1934 B11R0.81 CCCNC(=O)NCCCCO b3bc53c0ae2e58cd7b21b9f7c9d07477 [0,1,0,0,0,0|2,0,0]=3 1935 B11R0.81 CCCNC(=O)NCCCCS d3a31860c7fd41461062dfa1b06787b7 [0,1,0,0,0,0|2,0,0]=3 1936 B11R0.81 CCCNC(=O)NCCCOC 50ae98078702fa610be7540eb8edd428 [0,1,0,0,0,0|2,0,0]=3 1937 B11R0.81 CCCNC(=O)NCCCSC e117748d85d75907410464498a0a3699 [0,1,0,0,0,0|2,0,0]=3 1938 B11R0.81 CCCNC(=O)NCCOCC 80e1f0671ff882759d81829124c92ad6 [0,1,0,0,0,0|2,0,0]=3 1939 B11R0.81 CCCNC(=O)NCCSCC c2a740fdab08c6ec989b5f9aea85bf6c [0,1,0,0,0,0|2,0,0]=3 1940 B11R0.81 CCCNC(=S)NCCCCN 1f9f8885ebd8beacc92d275c20edab81 [0,1,0,0,0,0|2,1,0]=4 1941 B11R0.81 CCCNC(=S)NCCCCO 09dd35942318ee844fa74d582583a09e [0,1,0,0,0,0|2,1,0]=4 1942 B11R0.81 CCCNC(=S)NCCCCS 46f7bd58feac51e61a4d659125cf2f2c [0,1,0,0,0,0|2,1,0]=4 1943 B11R0.81 CCCNC(=S)NCCCOC f3067f75246b82bc7486299c6a97c4ef [0,1,0,0,0,0|2,1,0]=4 1944 B11R0.81 CCCNC(=S)NCCCSC 6d85ae093a74161e739cef1c5823e2c5 [0,1,0,0,0,0|2,1,0]=4 1945 B11R0.81 CCCNC(=S)NCCOCC f1b645e3cf2963a6441152edc523ce08 [0,1,0,0,0,0|2,1,0]=4 1946 B11R0.81 CCCNC(=S)NCCSCC 4016f3a0c559ba0114930d1fc9855abd [0,1,0,0,0,0|2,1,0]=4 1947 B11R0.81 CCCNCOC(=O)OCCC 4d1a92bf22713f11d028be261523bf97 [0,1,0,0,0,0|1,0,0]=2 1948 B11R0.81 CCCOC(=O)CCOCCF 6c164fdc8887ca8fc141e35b4a2592cf [0,1,0,0,0,0|3,0,0]=4 1949 B11R0.81 CCCOC(=O)CCOCCS 66ab5f05d7362e8ffc709deb15e32463 [0,1,0,0,0,0|3,0,0]=4 1950 B11R0.81 CCCOC(=O)CCOCOC b084930f3f6d47464f74aca37674e143 [0,1,0,0,0,0|3,0,0]=4 1951 B11R0.81 CCCOC(=O)CCOCSC 6a6b424b4a9af61c1549e425d21a4cea [0,1,0,0,0,0|3,0,0]=4 1952 B11R0.81 CCCOC(=O)CNCCCCl e06e66b7e72050bc47a6fccb635c8907 [0,1,0,0,0,0|3,0,0]=4 1953 B11R0.81 CCCOC(=O)CNCCCO 5b111bb1ca4b68c9fade23b956b2305a [0,1,0,0,0,0|3,0,0]=4 1954 B11R0.81 CCCOC(=O)CNCCOC 2bbfe3564cc32e7effe8c91738a8c149 [0,1,0,0,0,0|3,0,0]=4 1955 B11R0.81 CCCOC(=O)CNCCSC de7dde377f49ccddcbfd56e3a11ac930 [0,1,0,0,0,0|3,0,0]=4 1956 B11R0.81 CCCOC(=O)COCCCF 9ca752a218f7446ba1ab857544374ed1 [0,1,0,0,0,0|3,0,0]=4 1957 B11R0.81 CCCOC(=O)COCCCS ec467b7eb9b33603d2320c0156a04d36 [0,1,0,0,0,0|3,0,0]=4 1958 B11R0.81 CCCOC(=O)COCCOC ef51b9c77d5fe2c9e49043eaac4b1775 [0,1,0,0,0,0|3,0,0]=4 1959 B11R0.81 CCCOC(=O)COCCSC ed58dbd3c9afe030aafa25af7a474fbf [0,1,0,0,0,0|3,0,0]=4 1960 B11R0.81 CCCOC(=O)OCNCC#N 01d5d37d459480bd315406b4eeaabd48 [0,1,0,0,0,0|2,0,1]=4 1961 B11R0.81 CCCOC(=O)OCNCCBr 3e145e09984fac7454cb3aaa72ca303e [0,1,0,0,0,0|2,0,0]=3 1962 B11R0.81 CCCOC(=O)OCNCCF bf99e83ab09de5ccb3ad85278402b9fd [0,1,0,0,0,0|2,0,0]=3 1963 B11R0.81 CCCOC(=O)OCNCCI d7406295acb67b34c4f4ca1850df4bcd [0,1,0,0,0,0|2,0,0]=3 1964 B11R0.81 CCCOC(=O)OCNCCO 51ecc5a84297074ae649de7abd5cb6f4 [0,1,0,0,0,0|2,0,0]=3 1965 B11R0.81 CCCOC(=O)OCNCCS 9a6560d3ab220f9d033f4f6affb865ca [0,1,0,0,0,0|2,0,0]=3 1966 B11R0.81 CCCOC(=O)OCOCC#N 275a6b1d4001eccdb06f5b88e28c3ec1 [0,1,0,0,0,0|2,0,1]=4 1967 B11R0.81 CCCOC(=O)OCOCCF 8d1510b14339aa3354d2112f7e51c37b [0,1,0,0,0,0|2,0,0]=3 1968 B11R0.81 CCCOC(=O)OCOCCS ec061dc1ad214c3434a8ecd74cd12270 [0,1,0,0,0,0|2,0,0]=3 1969 B11R0.81 CCCOC(=O)OCOCOC d87c3e9f5b1d1c80c1a2dbb583aef23d [0,1,0,0,0,0|2,0,0]=3 1970 B11R0.81 CCCOCCC(=O)NCCBr ceebd061ef17bfcc61e17726c62d4413 [0,1,0,0,0,0|3,0,0]=4 1971 B11R0.81 CCCOCCC(=O)NCCF 41ebde66c79e043d15e8735c0c88abdc [0,1,0,0,0,0|3,0,0]=4 1972 B11R0.81 CCCOCCC(=O)NCCI 9ec38edeee32187bec3e4fab23b66cf6 [0,1,0,0,0,0|3,0,0]=4 1973 B11R0.81 CCCOCCC(=O)NCCO 55ebb584adce6608581830cd8e242f6c [0,1,0,0,0,0|3,0,0]=4 1974 B11R0.81 CCCOCCC(=O)NCCS dbb6d37060c484a6c1427fbc6af59f0b [0,1,0,0,0,0|3,0,0]=4 1975 B11R0.81 CCCOCCC(=O)OCCC 6ee22521ff14ec2304cdca3071c00c79 [0,1,0,0,0,0|2,0,0]=3 1976 B11R0.81 CCCOCOC(=O)OCCC 7cd19f7197089ff3a04837dd12236c27 [0,1,0,0,0,0|1,0,0]=2 1977 B11R0.81 CCOCC(=O)NCCCC#N 95eaad9d68e527e869d3a1bac41a366b [0,1,0,0,0,0|2,0,1]=4 1978 B11R0.81 CCOCC(=O)NCCCCCl 6b242c57133a334777c58492eae9429a [0,1,0,0,0,0|2,0,0]=3 1979 B11R0.81 CCOCC(=O)NCCCCO d71689d4b341333827c7f2a7356f4d5b [0,1,0,0,0,0|2,0,0]=3 1980 B11R0.81 CCOCC(=O)NCCCCS f6722bd841ef8213860ab15b0ed3bf21 [0,1,0,0,0,0|2,0,0]=3 1981 B11R0.81 CCOCC(=O)NCCCOC 4633d3ef9839416b0fc3d4c31079fd0c [0,1,0,0,0,0|2,0,0]=3 1982 B11R0.81 CCOCC(=O)NCCCSC 5ba31a84767d6d1cb079283943117797 [0,1,0,0,0,0|2,0,0]=3 1983 B11R0.81 CCOCC(=O)NCCSCC dc2db358571e9ce17f4f7e3af62ea85f [0,1,0,0,0,0|2,0,0]=3 1984 B11R0.81 CCOCC(C)OCCCCF 64ea798d594bc8abca0945e2b386faa9 [0,1,0,0,0,0|2,0,1]=4 1985 B11R0.81 CCOCC(C)OCCCOC 81f31b851b9864d3b70fe6b7b104f40e [0,1,0,0,0,0|2,0,1]=4 1986 B11R0.81 CCOCC(C)OCCCSC 5d2ed050128df03d0423530207597454 [0,1,0,0,0,0|2,0,1]=4 1987 B11R0.81 CCOCC(C)OCCSCC b696e23ca82c1d7658f1f43795117d38 [0,1,0,0,0,0|2,0,1]=4 1988 B11R0.81 CCOCCNC(=O)CCC#N 4a48ee72f1ed8cd403af5ef2b16e0a59 [0,1,0,0,0,0|2,0,1]=4 1989 B11R0.81 CCOCCNC(=O)CCC=O a1793bb43e5fd73d159692252b8121d6 [0,1,0,0,0,0|2,0,1]=4 1990 B11R0.81 CCOCCNC(=O)CCCF 143244bf937b80e80b1012bf493a68c2 [0,1,0,0,0,0|2,0,0]=3 1991 B11R0.81 CCOCCNC(=O)CCCS 19665b86e7c7d0a3fb523bfbe3572199 [0,1,0,0,0,0|2,0,0]=3 1992 B11R0.81 CCOCCNC(=O)CCOC ac2e4792b39278e1be00015aba1c14ba [0,1,0,0,0,0|2,0,0]=3 1993 B11R0.81 CCOCCNC(=O)CCSC e921116d3831e309cf43a8831d286efa [0,1,0,0,0,0|2,0,0]=3 1994 B11R0.81 CCOCCNC(=O)COCC ccff2589632a0830014f62e4f65641f2 [0,1,0,0,0,0|2,0,0]=3 1995 B11R0.81 CCOCCNC(=O)CSCC ad5aa08f7211c115983356636b1745f4 [0,1,0,0,0,0|2,0,0]=3 1996 B11R0.81 CCOCCNC(=O)CSSC 28030e329d3f0009ddd3931586ddcf77 [0,1,0,0,0,0|3,0,0]=4 1997 B11R0.81 CCOCCNC(=O)NCCF 3c88ee0421063962993c14c400f34890 [0,1,0,0,0,0|3,0,0]=4 1998 B11R0.81 CCOCCNC(=O)NCCN abefac62758e32575f67a8fa3bd28de3 [0,1,0,0,0,0|3,0,0]=4 1999 B11R0.81 CCOCCNC(=O)NCCO 0a1b20437c49d231bb0eb2a4a890531c [0,1,0,0,0,0|3,0,0]=4 2000 B11R0.81 CCOCCNC(=O)NCCS f65bf8a4d159c6001ef3b9e1ca92b17a [0,1,0,0,0,0|3,0,0]=4 2001 B11R0.81 CCOCCOC(=O)CNC#N 078281ea96b89c59ce11c4d355cddb2b [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.81 CCOCCOC(C)CCOC 5a27a2cc450daa9af024a740d69ddf22 [0,1,0,0,0,0|2,0,1]=4 2003 B11R0.81 CCOCCOC(C)CCSC 7de61f538769c182abf4e9f43ff55910 [0,1,0,0,0,0|2,0,1]=4 2004 B11R0.81 CCOCCOC(C)COCC 14e0131ebed50a49c9a5125f01819540 [0,1,0,0,0,0|2,0,1]=4 2005 B11R0.81 CCSCC(=O)NCCCC#N 76cb537e7a7c5eadfe00bf3cdf2a53ac [0,1,0,0,0,0|2,0,1]=4 2006 B11R0.81 CCSCC(=O)NCCCCCl 246a6e7c28dc82bf58124d553780fced [0,1,0,0,0,0|2,0,0]=3 2007 B11R0.81 CCSCC(=O)NCCCCO 5aee1709f84853436d1a76d4be86f309 [0,1,0,0,0,0|2,0,0]=3 2008 B11R0.81 CCSCC(=O)NCCCCS 24bc9424e35686c197f716b0efff2eb1 [0,1,0,0,0,0|2,0,0]=3 2009 B11R0.81 CCSCC(=O)NCCCOC 05c43d7cb671f109b6b19907a81060ff [0,1,0,0,0,0|2,0,0]=3 2010 B11R0.81 CCSCC(=O)NCCCSC 965f6fff977fde4ed0da89387e356f05 [0,1,0,0,0,0|2,0,0]=3 2011 B11R0.81 CCSCCNC(=O)CCC#N a535c409056a3465c265e3b69b4027e8 [0,1,0,0,0,0|2,0,1]=4 2012 B11R0.81 CCSCCNC(=O)CCC=O 5e1f815d8a5f2a3abca593add86a2fa8 [0,1,0,0,0,0|2,0,1]=4 2013 B11R0.81 CCSCCNC(=O)CCCF 27a5d2edf7fbd02ff957d5e4ca1b276f [0,1,0,0,0,0|2,0,0]=3 2014 B11R0.81 CCSCCNC(=O)CCCS d71a7511e56051353f5f76d32534489f [0,1,0,0,0,0|2,0,0]=3 2015 B11R0.81 CCSCCNC(=O)CCOC 43174eb7b6b512a7d0afbe0b9f344a65 [0,1,0,0,0,0|2,0,0]=3 2016 B11R0.81 CCSCCNC(=O)CCSC 4dce0d397f7e5f7bb9ff360e55b32e5e [0,1,0,0,0,0|2,0,0]=3 2017 B11R0.81 CCSCCNC(=O)CSCC 618931eb3238ccd09997ba70bf359774 [0,1,0,0,0,0|2,0,0]=3 2018 B11R0.81 CCSCCNC(=O)CSSC 617ce264139715df7ba1faaae0b1d1cd [0,1,0,0,0,0|3,0,0]=4 2019 B11R0.81 CCSCCNC(=O)NCCF 1d95f87a3c69cbc2021f2baf298ed2a2 [0,1,0,0,0,0|3,0,0]=4 2020 B11R0.81 CCSCCNC(=O)NCCN a9a1e81a8e9f77fe5c5d1b914497c931 [0,1,0,0,0,0|3,0,0]=4 2021 B11R0.81 CCSCCNC(=O)NCCO 1dd015585b2d61b1eba88eedbedbd447 [0,1,0,0,0,0|3,0,0]=4 2022 B11R0.81 CCSCCNC(=O)NCCS a3c72b8e4940095102ef6eff0ef34fde [0,1,0,0,0,0|3,0,0]=4 2023 B11R0.81 CCSCCOC(C)CCOC 5738852b0e4dc19fc5d5009b0cb48607 [0,1,0,0,0,0|2,0,1]=4 2024 B11R0.81 CCSCCOC(C)CCSC 85c960f65a9543e0b152de61b09d66d4 [0,1,0,0,0,0|2,0,1]=4 2025 B11R0.81 COCCC(=O)NCCCC#N d6627e1051c1e8df4960c6d554895e03 [0,1,0,0,0,0|2,0,1]=4 2026 B11R0.81 COCCC(=O)NCCCCCl fa66e0b355b29716ed9ecfda5f87d98a [0,1,0,0,0,0|2,0,0]=3 2027 B11R0.81 COCCC(=O)NCCCCO daa4a244695bc10ddab6adc5fc18e997 [0,1,0,0,0,0|2,0,0]=3 2028 B11R0.81 COCCC(=O)NCCCCS bac386b0d813fa61a81f3ecae28d0a64 [0,1,0,0,0,0|2,0,0]=3 2029 B11R0.81 COCCC(=O)NCCCSC 8fd445ba13081a0d2c2426e57760d0ba [0,1,0,0,0,0|2,0,0]=3 2030 B11R0.81 COCCC(C)OCCCCF 1de3889f92bb13af5ab9992f8b1852c6 [0,1,0,0,0,0|2,0,1]=4 2031 B11R0.81 COCCC(C)OCCCSC 98036e9e3ea87fae013ad740752c2e4a [0,1,0,0,0,0|2,0,1]=4 2032 B11R0.81 COCCCNC(=O)CCC#N b4c71c2222541f8a33448558e7ea8b1c [0,1,0,0,0,0|2,0,1]=4 2033 B11R0.81 COCCCNC(=O)CCC=O 7ea1bcc830296e01978c091e2ee9b8d1 [0,1,0,0,0,0|2,0,1]=4 2034 B11R0.81 COCCCNC(=O)CCCF 2c531f69f62fc577656d9984208b0e22 [0,1,0,0,0,0|2,0,0]=3 2035 B11R0.81 COCCCNC(=O)CCCS 7fcfa201737bfc760d0b905122df9d90 [0,1,0,0,0,0|2,0,0]=3 2036 B11R0.81 COCCCNC(=O)CCOC 0d851eba3b5b9a8db5c33d4c3292d86c [0,1,0,0,0,0|2,0,0]=3 2037 B11R0.81 COCCCNC(=O)CCSC bd256f537cf5b60a44ed5d07cd5d7f53 [0,1,0,0,0,0|2,0,0]=3 2038 B11R0.81 COCCCNC(=O)CSSC df812511da546792b25b962890671222 [0,1,0,0,0,0|3,0,0]=4 2039 B11R0.81 COCCCNC(=O)NCCF 12b124ff709c3edc39691dc9fc12c93e [0,1,0,0,0,0|3,0,0]=4 2040 B11R0.81 COCCCNC(=O)NCCN bb7a011176a47dbb7994f38d610624cf [0,1,0,0,0,0|3,0,0]=4 2041 B11R0.81 COCCCNC(=O)NCCO 4f237309a823844bbe703c65ddaf0519 [0,1,0,0,0,0|3,0,0]=4 2042 B11R0.81 COCCCNC(=O)NCCS 8f5f9272716d7b2c795bfbfd05e4fb65 [0,1,0,0,0,0|3,0,0]=4 2043 B11R0.81 COCCCOC(C)CCOC a0673e2800ff26949528cff7faa849a3 [0,1,0,0,0,0|2,0,1]=4 2044 B11R0.81 COCCCOC(C)CCSC d48fcef151d50fc865ae73b90d2dc3c2 [0,1,0,0,0,0|2,0,1]=4 2045 B11R0.81 COCCNCC(=O)CCSC 5be4eb7720dabc43c193d5d4bbc19b3b [0,1,0,0,0,0|3,0,0]=4 2046 B11R0.81 COCCOCC(=O)CCSC bf443902e1b236552ef3f67d8fe6d8d2 [0,1,0,0,0,0|3,0,0]=4 2047 B11R0.81 CSCCC(=O)CNCCCCl dd1ae7240fd1dd4e7f54014aa4723b17 [0,1,0,0,0,0|3,0,0]=4 2048 B11R0.81 CSCCC(=O)CNCCCO e9b4b7fac7f00960c612d25a105b89ea [0,1,0,0,0,0|3,0,0]=4 2049 B11R0.81 CSCCC(=O)COCCCF 6987f6fc8904dd5119a0ef8b37b5c10b [0,1,0,0,0,0|3,0,0]=4 2050 B11R0.81 CSCCC(=O)COCCCS cdac7e787767a3913cf911e7f14dbf0d [0,1,0,0,0,0|3,0,0]=4 2051 B11R0.81 CSCCC(=O)NCCCC#N fe52b86354ecc7afd831f4026eca7e81 [0,1,0,0,0,0|2,0,1]=4 2052 B11R0.81 CSCCC(=O)NCCCCCl e31fc2f29c10b7ed2ed8afda323e677e [0,1,0,0,0,0|2,0,0]=3 2053 B11R0.81 CSCCC(=O)NCCCCO a953872b286eb5b4d6a71a9d0a155648 [0,1,0,0,0,0|2,0,0]=3 2054 B11R0.81 CSCCC(=O)NCCCCS 23e734bd7232ee8ac3124e1dff91694c [0,1,0,0,0,0|2,0,0]=3 2055 B11R0.81 CSCCC(C)OCCCCF 52b7807a611cb1559a94c7f4dc5a307d [0,1,0,0,0,0|2,0,1]=4 2056 B11R0.81 CSCCCNC(=O)CCC#N 7bf815704c56e54f29121d34b42e0207 [0,1,0,0,0,0|2,0,1]=4 2057 B11R0.81 CSCCCNC(=O)CCC=O f5a7720127acc9b9d6119758aefac3a1 [0,1,0,0,0,0|2,0,1]=4 2058 B11R0.81 CSCCCNC(=O)CCCF 800860f237cabd272e2c8031ce8a4a65 [0,1,0,0,0,0|2,0,0]=3 2059 B11R0.81 CSCCCNC(=O)CCCS a9a8210d9fcb03a0870a9228f1e707af [0,1,0,0,0,0|2,0,0]=3 2060 B11R0.81 CSCCCNC(=O)CCSC 24992b0fd6036b5e47ab1e4f6ef55d39 [0,1,0,0,0,0|2,0,0]=3 2061 B11R0.81 CSCCCNC(=O)CSSC 0b5c8d794e02bdb552cea33f3ff868c0 [0,1,0,0,0,0|3,0,0]=4 2062 B11R0.81 CSCCCNC(=O)NCCF 8331bd1692de29b8b2e08c180ab78be2 [0,1,0,0,0,0|3,0,0]=4 2063 B11R0.81 CSCCCNC(=O)NCCN 4055091a51b35847c678d0eab53a0eac [0,1,0,0,0,0|3,0,0]=4 2064 B11R0.81 CSCCCNC(=O)NCCO b92aa979aa9fbb7b42f3d1c095891073 [0,1,0,0,0,0|3,0,0]=4 2065 B11R0.81 CSCCCNC(=O)NCCS 11af555a22ac4649591667998862f480 [0,1,0,0,0,0|3,0,0]=4 2066 B11R0.81 CSCCCOC(C)CCSC 22a4fcc14b77563e25c38d1fd2134588 [0,1,0,0,0,0|2,0,1]=4 2067 B11R0.81 CSCCNCC(=O)CCSC 3fc20948f98e02d1836f75a6d80432d8 [0,1,0,0,0,0|3,0,0]=4 2068 B11R0.81 CSCCOCC(=O)CCSC 5a133529456a1b1b3e7528e917dbbd7c [0,1,0,0,0,0|3,0,0]=4 2069 B11R0.81 CSSCC(=O)NCCCCCl 7b81067405193e6c31e49605431416d7 [0,1,0,0,0,0|3,0,0]=4 2070 B11R0.81 CSSCC(=O)NCCCCO b347bfd905a085c101901cfbaa5d23a3 [0,1,0,0,0,0|3,0,0]=4 2071 B11R0.81 CSSCC(=O)NCCCCS 49769d23ded7b9642c4b28319028b03f [0,1,0,0,0,0|3,0,0]=4 2072 B11R0.81 N#CCCC(=O)NCCCCCl 0bf85a82197c5ce705ba404c86aa5589 [0,1,0,0,0,0|2,0,1]=4 2073 B11R0.81 N#CCCC(=O)NCCCCO ddac744890fab994c73987f2a2615f52 [0,1,0,0,0,0|2,0,1]=4 2074 B11R0.81 N#CCCC(=O)NCCCCS 3c3ae0fae70a3c5007e5db1804b4807a [0,1,0,0,0,0|2,0,1]=4 2075 B11R0.81 N#CCCCNC(=O)CCCF e0c22152758f75460e929fd9170c50b6 [0,1,0,0,0,0|2,0,1]=4 2076 B11R0.81 N#CCCCNC(=O)CCCS 84c0be187841c53cef15f2485e8395f1 [0,1,0,0,0,0|2,0,1]=4 2077 B11R0.81 NCCCCNC(=O)NCCF 234191d0309773893be01aca564443c7 [0,1,0,0,0,0|3,0,0]=4 2078 B11R0.81 NCCCCNC(=O)NCCN 3847200ee23587604472c761d3859e43 [0,1,0,0,0,0|3,0,0]=4 2079 B11R0.81 NCCCCNC(=O)NCCO 079cdb9138aff7e94ec4fb144870865d [0,1,0,0,0,0|3,0,0]=4 2080 B11R0.81 NCCCCNC(=O)NCCS 8660b0770b1b4c8a864245dc7db0e830 [0,1,0,0,0,0|3,0,0]=4 2081 B11R0.81 NCCNC(=O)NCCCCO c83c6acac482131bf7bb7c1103fade7e [0,1,0,0,0,0|3,0,0]=4 2082 B11R0.81 NCCNC(=O)NCCCCS f0eb4d9ab2f431251d7de15abc0ec239 [0,1,0,0,0,0|3,0,0]=4 2083 B11R0.81 O=C(CCCCCF)NCCBr 8751d11b09a34136ffccc132e4c0d1e0 [0,1,0,0,0,0|3,0,0]=4 2084 B11R0.81 O=C(CCCCCF)NCCF 17498c23ec8082330daece5a4ba27aaf [0,1,0,0,0,0|3,0,0]=4 2085 B11R0.81 O=C(CCCCCF)NCCI ec57eb76c961521d0a84ef9e2f37d204 [0,1,0,0,0,0|3,0,0]=4 2086 B11R0.81 O=C(CCCCCF)NCCO a6b2e4d0a25eb301cb1af993e86e54a1 [0,1,0,0,0,0|3,0,0]=4 2087 B11R0.81 O=C(CCCCCF)NCCS 4b3f5dc5836aa35f7d7d2716d84e4426 [0,1,0,0,0,0|3,0,0]=4 2088 B11R0.81 O=C(CCCCCO)NCCBr 704ebe78e977a00f48c027ec07ffcd4a [0,1,0,0,0,0|3,0,0]=4 2089 B11R0.81 O=C(CCCCCO)NCCF 54d69f2dc2b2af65be0ddaa976883c73 [0,1,0,0,0,0|3,0,0]=4 2090 B11R0.81 O=C(CCCCCO)NCCI 2651ff58468fdc9c1833d602d182571b [0,1,0,0,0,0|3,0,0]=4 2091 B11R0.81 O=C(CCCCCO)NCCO c078daec7d9e5708816806003dfc6cfe [0,1,0,0,0,0|3,0,0]=4 2092 B11R0.81 O=C(CCCCCO)NCCS 96315123b21bd68ceb104c5965b3e411 [0,1,0,0,0,0|3,0,0]=4 2093 B11R0.81 O=C(CCCCCS)NCCBr ac072fe90b5f32df3f590db3abe50e43 [0,1,0,0,0,0|3,0,0]=4 2094 B11R0.81 O=C(CCCCCS)NCCF b0c3139a3ac88a7d1cef649196198b49 [0,1,0,0,0,0|3,0,0]=4 2095 B11R0.81 O=C(CCCCCS)NCCI 8cedde78026096d0a6a276a7aa25baa7 [0,1,0,0,0,0|3,0,0]=4 2096 B11R0.81 O=C(CCCCCS)NCCO 4421a54cfacceae52214a7abecc953e9 [0,1,0,0,0,0|3,0,0]=4 2097 B11R0.81 O=C(CCCCCS)NCCS bba35b924266de4b1f08a631536d56f6 [0,1,0,0,0,0|3,0,0]=4 2098 B11R0.81 O=C(CCCF)NCCCCCl 1f3ca6e61f6cbcdcedd9ca90bb37acfe [0,1,0,0,0,0|2,0,0]=3 2099 B11R0.81 O=C(CCCF)NCCCCO 3a667fbe15ddf93ad0ffdcade58dd1ae [0,1,0,0,0,0|2,0,0]=3 2100 B11R0.81 O=C(CCCF)NCCCCS e020cc73e10fd8bef71392a8dfe68c04 [0,1,0,0,0,0|2,0,0]=3 2101 B11R0.81 O=C(CCCS)NCCCCCl 32b280fb16e53639f9558a99d6a32d6f [0,1,0,0,0,0|2,0,0]=3 2102 B11R0.81 O=C(CCCS)NCCCCO 67ef06b7998e6d353837784fecda60c4 [0,1,0,0,0,0|2,0,0]=3 2103 B11R0.81 O=C(CCCS)NCCCCS ad4090d0613a51cc87b2e819db1232d7 [0,1,0,0,0,0|2,0,0]=3 2104 B11R0.81 O=C(NCCF)NCCCCO 417324f0aa65bb7b8b9001c643e97778 [0,1,0,0,0,0|3,0,0]=4 2105 B11R0.81 O=C(NCCF)NCCCCS f78784404c6a8e7447376ede977811ac [0,1,0,0,0,0|3,0,0]=4 2106 B11R0.81 O=C(NCCO)NCCCCO 3b386936e4a37f412318c7c8e5a4d64b [0,1,0,0,0,0|3,0,0]=4 2107 B11R0.81 O=C(NCCO)NCCCCS bf8f0dd4d7fc8aee74b8a7d0f1d2b07f [0,1,0,0,0,0|3,0,0]=4 2108 B11R0.81 O=C(NCCS)NCCCCO 48058544b9e61583d29b8e092f6909db [0,1,0,0,0,0|3,0,0]=4 2109 B11R0.81 O=C(NCCS)NCCCCS 1862ac58856473f9beb71b3a13765ad5 [0,1,0,0,0,0|3,0,0]=4 2110 B11R0.81 O=CCCC(=O)NCCCCCl d455beadc4a1b6f9aa467d27b97f0870 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.81 O=CCCC(=O)NCCCCO dc2edf81499eb68c26aaefe790c048a1 [0,1,0,0,0,0|2,0,1]=4 2112 B11R0.81 O=CCCC(=O)NCCCCS 8dc52fa127c5c418c064924370d52695 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.142 C#CC(O)C(=O)NCCCCC 83e662a6a76867a10b56999c9ad1187e [0,1,0,0,0,0|1,0,2]=4 2114 B11R0.142 C#CCCCNC(=O)C(O)CC 47413258a76989e589c6817569773763 [0,1,0,0,0,0|1,0,2]=4 2115 B11R0.142 C#CCCCNC(=O)[C@@H](O)CC 357206132d40885ec8526b3653521cca [0,1,0,0,0,0|1,0,2]=4 2116 B11R0.142 C#CCCCNC(=O)[C@@H](S)CC d30b1d3a4d9593c24180e3130488df10 [0,1,0,0,0,0|1,0,2]=4 2117 B11R0.142 C#CCCCNC(=O)[C@H](O)CC fb8c86a16ab34b9a222cef89b1ec83dd [0,1,0,0,0,0|1,0,2]=4 2118 B11R0.142 C/C=C(/C)\C(=O)NCCCCC 695e823c3591a78c165a306466087a5b [0,1,0,0,0,0|1,0,2]=4 2119 B11R0.142 C/C=C(\Br)/C(=O)NCCCCC 95b731fc0acf2cbb4ceb607e172cc228 [0,1,0,0,0,0|1,0,2]=4 2120 B11R0.142 C/C=C(\C)/C(=O)NCCCCC b851f79946797ecb81cf5ec347d5568d [0,1,0,0,0,0|1,0,2]=4 2121 B11R0.142 C/C=C(\Cl)/C(=O)NCCCCC 5c60a091a0590bdd8d055e65b24caa55 [0,1,0,0,0,0|1,0,2]=4 2122 B11R0.142 C/C=C(\O)/C(=O)NCCCCC 69e77c9a50e5278631bc53967b136a68 [0,1,0,0,0,0|1,0,2]=4 2123 B11R0.142 C=C(CC)C(=O)NCCCCC 45757adefcca27d80670aff2e3ae589b [0,1,0,0,0,0|1,0,1]=3 2124 B11R0.142 C=C(CC)C(=O)NCCCCCl efb2df3e29efed25e06f1e6bc6422846 [0,1,0,0,0,0|2,0,1]=4 2125 B11R0.142 C=C(CC)C(=O)NCCCCO 13020284e7fdcd8e65d3e1081f309aac [0,1,0,0,0,0|2,0,1]=4 2126 B11R0.142 C=C(CC)C(=O)NCCCCS 7718f102a2e961eb30f7ad5917c8d4ae [0,1,0,0,0,0|2,0,1]=4 2127 B11R0.142 C=C(CC)C(=O)NCCCOC 646cf223d8bb818e32ef8dc2824f7fd8 [0,1,0,0,0,0|2,0,1]=4 2128 B11R0.142 C=C(CC)C(=O)NCCCSC a49f442adff7c3ee9f9425817d4cc573 [0,1,0,0,0,0|2,0,1]=4 2129 B11R0.142 C=C(CC)C(=O)NCCOCC 733a7bd35f9652b4bbbb29aac53369a7 [0,1,0,0,0,0|2,0,1]=4 2130 B11R0.142 C=C(CC)C(=O)NCCSCC 58173a664795b5e351e8274f61e39955 [0,1,0,0,0,0|2,0,1]=4 2131 B11R0.142 C=C(CO)C(=O)NCCCCC e0cf10e13f452e51e601677a22bda3a4 [0,1,0,0,0,0|2,0,1]=4 2132 B11R0.142 C=CCCCNC(=O)C(O)CC 21d0b6bcaa985b7dc5fa90ed613124df [0,1,0,0,0,0|1,0,2]=4 2133 B11R0.142 C=CCCCNC(=O)[C@@H](O)CC 83af9ba361d4476012c2b74874ad360c [0,1,0,0,0,0|1,0,2]=4 2134 B11R0.142 C=CCCCNC(=O)[C@@H](S)CC 8eb95e338d9de88260affb0d3e09515d [0,1,0,0,0,0|1,0,2]=4 2135 B11R0.142 C=CCCCNC(=O)[C@H](O)CC 743512c3390a76918761ed53989cdd99 [0,1,0,0,0,0|1,0,2]=4 2136 B11R0.142 CC=C(C)C(=O)NCCCCC adb7ed10fb9f955c1891e4c0bbee271b [0,1,0,0,0,0|1,0,2]=4 2137 B11R0.142 CCC(=O)C(=O)NCCCCCl d0f81d0b1f123068e7eba1ad14959e85 [0,1,0,0,0,0|2,0,1]=4 2138 B11R0.142 CCC(=O)C(=O)NCCCCO e6f50dd40821156e7f69b6f050c98eec [0,1,0,0,0,0|2,0,1]=4 2139 B11R0.142 CCC(=O)C(=O)NCCCCS 69845ceeb97ae6f2d53baa5f42c92d36 [0,1,0,0,0,0|2,0,1]=4 2140 B11R0.142 CCC(=O)C(=O)NCCCOC 34ccf37773cb6fe3a143196c9f25e36f [0,1,0,0,0,0|2,0,1]=4 2141 B11R0.142 CCC(=O)C(=O)NCCCSC 91880689a2901972c58c1cb1bd84d167 [0,1,0,0,0,0|2,0,1]=4 2142 B11R0.142 CCC(C)C(=O)CNCCCCl 189e0c7c11c1af78c1fa234d9fb0fe3f [0,1,0,0,0,0|3,0,0]=4 2143 B11R0.142 CCC(C)C(=O)CNCCCO 9c9d08d7035394b3744928ed0be22c80 [0,1,0,0,0,0|3,0,0]=4 2144 B11R0.142 CCC(C)C(=O)CNCCOC 7344251deb4a562dc16254e671551ca4 [0,1,0,0,0,0|3,0,0]=4 2145 B11R0.142 CCC(C)C(=O)CNCCSC 53941cd989a2eb607526d9fe1541568d [0,1,0,0,0,0|3,0,0]=4 2146 B11R0.142 CCC(C)C(=O)COCCCF c664669e0850df66d13ce537f05ce02e [0,1,0,0,0,0|3,0,0]=4 2147 B11R0.142 CCC(C)C(=O)COCCCS c7e98c2e677a0e42ec5ba20dad8d695a [0,1,0,0,0,0|3,0,0]=4 2148 B11R0.142 CCC(C)C(=O)COCCOC 8be803a225e92820962aa5d12baa1303 [0,1,0,0,0,0|3,0,0]=4 2149 B11R0.142 CCC(C)C(=O)COCCSC 7400b7d9ca088c9216c1ac41130b9654 [0,1,0,0,0,0|3,0,0]=4 2150 B11R0.142 CCC(C)C(C)OCCCCF e439aaec261a224a3d2a2fcedd867b45 [0,1,0,0,0,0|2,0,1]=4 2151 B11R0.142 CCC(C)C(C)OCCCOC fa8961728d58910ca0761d3ce6aab398 [0,1,0,0,0,0|2,0,1]=4 2152 B11R0.142 CCC(C)C(C)OCCCSC 9eaf0580936b08d19cdaee55d1383dad [0,1,0,0,0,0|2,0,1]=4 2153 B11R0.142 CCC(O)C(=O)NCCCC#N 590b42cc48f86e1658774f5405e5656b [0,1,0,0,0,0|2,0,1]=4 2154 B11R0.142 CCC(O)C(=O)NCCCCCl 60a2d781f3761e51596417e5ac0312fb [0,1,0,0,0,0|2,0,0]=3 2155 B11R0.142 CCC(O)C(=O)NCCCCO 0353adbe7d0cdf28402b1fceaf0bf707 [0,1,0,0,0,0|2,0,0]=3 2156 B11R0.142 CCC(O)C(=O)NCCCCS bc6f1efc55eaf5e589a1714e3e09cd90 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.142 CCC(O)C(=O)NCCCOC 6cf49a328f20525cdc30b4fb1219845c [0,1,0,0,0,0|2,0,0]=3 2158 B11R0.142 CCC(O)C(=O)NCCCSC 934b5173fc35df12522b4ccf65cc993d [0,1,0,0,0,0|2,0,0]=3 2159 B11R0.142 CCCC/C=C/C(=O)N(C)CC 93e15f932fdb71d13e21a9d59e32e01e [0,1,0,0,0,0|2,0,1]=4 2160 B11R0.142 CCCCC#CC(=O)N(C)CC cf46611b6d35cba1ec4ca08c7a29c85a [0,1,0,0,0,0|2,0,1]=4 2161 B11R0.142 CCCCC=CC(=O)N(C)CC 90dfef3e3fca354f02ed069b9d4f2092 [0,1,0,0,0,0|2,0,1]=4 2162 B11R0.142 CCCCCCC(=O)N(C)CC f37ad7c9584108c650a8069f1c38aed9 [0,1,0,0,0,0|2,0,0]=3 2163 B11R0.142 CCCCCCN(C)C(C)CC 946ab3903107d1fdaaac2204479ddf05 [0,1,0,0,0,0|3,0,0]=4 2164 B11R0.142 CCCCCNC(=O)C(=O)CC 57b5d06cb5cb0aeeb53131d1de420ac6 [0,1,0,0,0,0|1,0,1]=3 2165 B11R0.142 CCCCCNC(=O)C(=O)CS 163f0902bca7f4f01d7cb2be13a88ed2 [0,1,0,0,0,0|2,0,1]=4 2166 B11R0.142 CCCCCNC(=O)C(=O)NC c78c9d2fe1d4b73dbfca99b93822bbc2 [0,1,0,0,0,0|2,0,1]=4 2167 B11R0.142 CCCCCNC(=O)C(=O)OC 8111b1e6fb8bd2a57b809499c8b8e317 [0,1,0,0,0,0|2,0,1]=4 2168 B11R0.142 CCCCCNC(=O)C(C)OC 3b743d5f43ba31ac88e09d744d77e168 [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.142 CCCCCNC(=O)C(C)SC e73f7a241445ec1f08f92970b4436198 [0,1,0,0,0,0|2,0,0]=3 2170 B11R0.142 CCCCCNC(=O)C(O)CC 21183fd884d39603cb719fdbecbc4633 [0,1,0,0,0,0|1,0,0]=2 2171 B11R0.142 CCCCCNC(=O)C(O)CO 42055ec4952f0bea72123f1ae7a8fe6c [0,1,0,0,0,0|2,0,0]=3 2172 B11R0.142 CCCCCNC(=O)N(C)CC 6192a3d7a1423f9774ad184bf83c1309 [0,1,0,0,0,0|2,0,0]=3 2173 B11R0.142 CCCCCNC(=O)[C@@H](C)OC 8e20072134501bc40345f0e82b826843 [0,1,0,0,0,0|2,0,0]=3 2174 B11R0.142 CCCCCNC(=O)[C@@H](O)CC 97180f2a7c742a9531384571b2698814 [0,1,0,0,0,0|1,0,0]=2 2175 B11R0.142 CCCCCNC(=O)[C@@H](O)CO 137b1afbc94105fa41f5d68da8b7add0 [0,1,0,0,0,0|2,0,0]=3 2176 B11R0.142 CCCCCNC(=O)[C@@H](S)CC 247195dcf6a85e69c6026cceff638d19 [0,1,0,0,0,0|1,0,0]=2 2177 B11R0.142 CCCCCNC(=O)[C@H](C)OC 0f305d49803f2972c6e4f0726a100d9f [0,1,0,0,0,0|2,0,0]=3 2178 B11R0.142 CCCCCNC(=O)[C@H](O)CC 12b674743e61cba5d7a335a161d32295 [0,1,0,0,0,0|1,0,0]=2 2179 B11R0.142 CCCCCNC(=O)[C@H](O)CF 1051a057518c7adca149592c632433a4 [0,1,0,0,0,0|2,0,0]=3 2180 B11R0.142 CCCCCNC(=S)N(C)CC 1a9b2d12cbc9a89fb3aee6f5125ead1e [0,1,0,0,0,0|2,1,0]=4 2181 B11R0.142 CCCCCNC(C)C(C)CC 53d2731a979b7c57ce5ecbacfef57105 [0,1,0,0,0,0|2,0,1]=4 2182 B11R0.142 CCCCCOC(C)C(=O)CC e1ca68c4c69b484481885dc7e641f465 [0,1,0,0,0,0|1,0,2]=4 2183 B11R0.142 CCCCCOC(C)C(C)CC 0c8824b2e9ed5d75ec84a045e18bcc8e [0,1,0,0,0,0|1,0,1]=3 2184 B11R0.142 CCCCCOC(C)C(C)OC 2bf0abeb874e1fff9acb03c2b91d738e [0,1,0,0,0,0|2,0,1]=4 2185 B11R0.142 CCCCNCC(=O)C(C)CC 4b8362f5fe45d4c24210602e373bdc0e [0,1,0,0,0,0|2,0,0]=3 2186 B11R0.142 CCCCNCC(=O)N(C)CC 4238a409d384d68da9054f3604248cd5 [0,1,0,0,0,0|3,0,0]=4 2187 B11R0.142 CCCCOCC(=O)C(C)CC 569eaf058a3b83f4ded44f4b850c817f [0,1,0,0,0,0|2,0,0]=3 2188 B11R0.142 CCCCOCC(=O)N(C)CC b7ee6fd7e31ee0abfe8ea74be0db3634 [0,1,0,0,0,0|3,0,0]=4 2189 B11R0.142 CCCCSCC(=O)N(C)CC b0dd48b34154c900079211eba8c465d6 [0,1,0,0,0,0|3,0,0]=4 2190 B11R0.142 CCCOCCC(=O)N(C)CC b839de313fdc6e160b80119d64448271 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.142 CCN(C)C(=O)CCCCCF 4f3d2984e16e0a7f8c456dd807c62b28 [0,1,0,0,0,0|3,0,0]=4 2192 B11R0.142 CCN(C)C(=O)CCCCCO b52da02f4fdaddabce2dc8388f6c6c91 [0,1,0,0,0,0|3,0,0]=4 2193 B11R0.142 CCN(C)C(=O)CCCCCS d7869013bbd95bfc68e20164be94f0fd [0,1,0,0,0,0|3,0,0]=4 2194 B11R0.142 CCN(C)C(=O)NCCCCN ffe4d6d73bb071e002d5fd33872e67a0 [0,1,0,0,0,0|3,0,0]=4 2195 B11R0.142 CCN(C)C(=O)NCCCCO 2ee200785a2473b2a7e30b825c597389 [0,1,0,0,0,0|3,0,0]=4 2196 B11R0.142 CCN(C)C(=O)NCCCCS 186eef39f6a83c2721976be7077a2f94 [0,1,0,0,0,0|3,0,0]=4 2197 B11R0.142 CCN(C)C(=O)NCCCOC ae50a644ff3e1bf8d08ac9efbd439ea9 [0,1,0,0,0,0|3,0,0]=4 2198 B11R0.142 CCN(C)C(=O)NCCCSC eb61a6aec2a23dbf77d0ab4e1cf8b76a [0,1,0,0,0,0|3,0,0]=4 2199 B11R0.142 CCOCCNC(=O)C(=O)CC 930fd1bdd9a85d948d32e0269f295eb8 [0,1,0,0,0,0|2,0,1]=4 2200 B11R0.142 CCOCCNC(=O)C(C)OC 80fb418ac1d68ae4c49ad6b0580bc043 [0,1,0,0,0,0|3,0,0]=4 2201 B11R0.142 CCOCCNC(=O)C(C)SC 43575d07ec03dafe56b4f901b057582d [0,1,0,0,0,0|3,0,0]=4 2202 B11R0.142 CCOCCNC(=O)C(O)CC 6983d019b0c80d30d2deaf6c80cd0b51 [0,1,0,0,0,0|2,0,0]=3 2203 B11R0.142 CCOCCNC(=O)C(O)CO 72039fd540490ced237484386991e935 [0,1,0,0,0,0|3,0,0]=4 2204 B11R0.142 CCOCCNC(=O)N(C)CC 01105fb3e431e750e15de07f21f45d0d [0,1,0,0,0,0|3,0,0]=4 2205 B11R0.142 CCOCCNC(=O)[C@@H](C)OC fc96859880804b5266113e184e4edb51 [0,1,0,0,0,0|3,0,0]=4 2206 B11R0.142 CCOCCNC(=O)[C@@H](O)CC 6260dc75d7f6ff2bf0bcf13abdbb968b [0,1,0,0,0,0|2,0,0]=3 2207 B11R0.142 CCOCCNC(=O)[C@@H](O)CO ba65849a9651d8e3bda4bf834a8caf61 [0,1,0,0,0,0|3,0,0]=4 2208 B11R0.142 CCOCCNC(=O)[C@@H](S)CC a0b67b9f1f2e20248d3ec448813e788e [0,1,0,0,0,0|2,0,0]=3 2209 B11R0.142 CCOCCNC(=O)[C@H](C)OC 4e12bc4623e315b5b3a293a0ce2ae53c [0,1,0,0,0,0|3,0,0]=4 2210 B11R0.142 CCOCCNC(=O)[C@H](O)CC 54f6644b61a551b2b3a9538d71e048fe [0,1,0,0,0,0|2,0,0]=3 2211 B11R0.142 CCOCCNC(=O)[C@H](O)CF 649dcff43a774fd2f14a0d1667c6bf60 [0,1,0,0,0,0|3,0,0]=4 2212 B11R0.142 CCOCCOC(C)C(C)CC f9ae220b564517167181e6e5b1e22395 [0,1,0,0,0,0|2,0,1]=4 2213 B11R0.142 CCSCCNC(=O)C(=O)CC 750899b49de10477e96de5909b0c815c [0,1,0,0,0,0|2,0,1]=4 2214 B11R0.142 CCSCCNC(=O)C(C)OC fee3ec4167f4adbb9ad103e2db649e4f [0,1,0,0,0,0|3,0,0]=4 2215 B11R0.142 CCSCCNC(=O)C(C)SC 834bb83b428010eff5acfa9f61dbcdf2 [0,1,0,0,0,0|3,0,0]=4 2216 B11R0.142 CCSCCNC(=O)C(O)CC 889db32b39034530a2dc32a55872a69a [0,1,0,0,0,0|2,0,0]=3 2217 B11R0.142 CCSCCNC(=O)C(O)CO d2814c2df5dc709ded40a41382150058 [0,1,0,0,0,0|3,0,0]=4 2218 B11R0.142 CCSCCNC(=O)N(C)CC 3b4e0110011da4e178f30bf199bcc98a [0,1,0,0,0,0|3,0,0]=4 2219 B11R0.142 CCSCCNC(=O)[C@@H](C)OC cea561e2693af6a910be490419569458 [0,1,0,0,0,0|3,0,0]=4 2220 B11R0.142 CCSCCNC(=O)[C@@H](O)CC 88b856c02c6b52c0983a2189b4cc5dd4 [0,1,0,0,0,0|2,0,0]=3 2221 B11R0.142 CCSCCNC(=O)[C@@H](O)CO e5208114e46f13fbdcb00fcd5a293429 [0,1,0,0,0,0|3,0,0]=4 2222 B11R0.142 CCSCCNC(=O)[C@@H](S)CC a8b19f96fe38dc8bcf1eeffa5d27841c [0,1,0,0,0,0|2,0,0]=3 2223 B11R0.142 CCSCCNC(=O)[C@H](C)OC aa624ad6e2ca474e57576d0a97438b3f [0,1,0,0,0,0|3,0,0]=4 2224 B11R0.142 CCSCCNC(=O)[C@H](O)CC f7896de571d46b3a2d97cb183f694162 [0,1,0,0,0,0|2,0,0]=3 2225 B11R0.142 CCSCCNC(=O)[C@H](O)CF 47a27bed0033a78f24951ee8ba893e68 [0,1,0,0,0,0|3,0,0]=4 2226 B11R0.142 CCSCCOC(C)C(C)CC 651cf5217c2493a25117605021009319 [0,1,0,0,0,0|2,0,1]=4 2227 B11R0.142 CC[C@@H](O)C(=O)NCCCC#N f5f1095fdb77107fc39fe164763317a6 [0,1,0,0,0,0|2,0,1]=4 2228 B11R0.142 CC[C@@H](O)C(=O)NCCCCCl a8d10ba3b7ddb1cafb863853bca4b7bd [0,1,0,0,0,0|2,0,0]=3 2229 B11R0.142 CC[C@@H](O)C(=O)NCCCCO 00b49a8286fa929fef5213687686abd1 [0,1,0,0,0,0|2,0,0]=3 2230 B11R0.142 CC[C@@H](O)C(=O)NCCCCS 09f1eefc449861af09a4aba50a4f1998 [0,1,0,0,0,0|2,0,0]=3 2231 B11R0.142 CC[C@@H](O)C(=O)NCCCOC 1639a0afebdd402452ebe364c6652410 [0,1,0,0,0,0|2,0,0]=3 2232 B11R0.142 CC[C@@H](O)C(=O)NCCCSC d7ce4cff3864761e7e50bb29be998a95 [0,1,0,0,0,0|2,0,0]=3 2233 B11R0.142 CC[C@H](O)C(=O)NCCCC#N cf36e71f17254bbe2bd658319e7e5ca1 [0,1,0,0,0,0|2,0,1]=4 2234 B11R0.142 CC[C@H](O)C(=O)NCCCCCl 3045b9cee1c5c22ffafa380be1eb9a86 [0,1,0,0,0,0|2,0,0]=3 2235 B11R0.142 CC[C@H](O)C(=O)NCCCCO 29d1101c3011db9eed053a140451d8bb [0,1,0,0,0,0|2,0,0]=3 2236 B11R0.142 CC[C@H](O)C(=O)NCCCCS cf2a0bb52e34cfe155cdb6701e55ea94 [0,1,0,0,0,0|2,0,0]=3 2237 B11R0.142 CC[C@H](O)C(=O)NCCCOC 02e38f8912c581dcef2d069da8bb51e8 [0,1,0,0,0,0|2,0,0]=3 2238 B11R0.142 CC[C@H](O)C(=O)NCCCSC 49aff10ab13934e79915b0f45c020d22 [0,1,0,0,0,0|2,0,0]=3 2239 B11R0.142 CC[C@H](S)C(=O)NCCCC#N 148e8fd7b6b210e61002184ad2396c7a [0,1,0,0,0,0|2,0,1]=4 2240 B11R0.142 CC[C@H](S)C(=O)NCCCCCl 5550e24e5acfc6e49f8985daa9bcef81 [0,1,0,0,0,0|2,0,0]=3 2241 B11R0.142 CC[C@H](S)C(=O)NCCCCO 2a6334c13be225a063e10081d3154b10 [0,1,0,0,0,0|2,0,0]=3 2242 B11R0.142 CC[C@H](S)C(=O)NCCCCS dcbdea2ffc04f1d2a12a23924febc97b [0,1,0,0,0,0|2,0,0]=3 2243 B11R0.142 CC[C@H](S)C(=O)NCCCOC 30aea3a3685094b67edb7ca6a231f234 [0,1,0,0,0,0|2,0,0]=3 2244 B11R0.142 CC[C@H](S)C(=O)NCCCSC 06cbda2e0dc32ac73b10d7c70de6e8fd [0,1,0,0,0,0|2,0,0]=3 2245 B11R0.142 COC(C)C(=O)NCCCCCl 457450d2f0e27174b9406350a972ab4c [0,1,0,0,0,0|3,0,0]=4 2246 B11R0.142 COC(C)C(=O)NCCCCO 0e66aab3df4d8d66c1732c607cb1f2f9 [0,1,0,0,0,0|3,0,0]=4 2247 B11R0.142 COC(C)C(=O)NCCCCS fa6f97e711eb4e2bd1b921e536c17013 [0,1,0,0,0,0|3,0,0]=4 2248 B11R0.142 COC(C)C(=O)NCCCSC 9fc2c18de19c52feb34eeb16284f790f [0,1,0,0,0,0|3,0,0]=4 2249 B11R0.142 COCCCNC(=O)C(C)OC 11622f3b0fc3b6c466204fd97b4234ab [0,1,0,0,0,0|3,0,0]=4 2250 B11R0.142 COCCCNC(=O)C(C)SC a597d702b3ff52560b082df381c05ed6 [0,1,0,0,0,0|3,0,0]=4 2251 B11R0.142 COCCCNC(=O)C(O)CO 18e6d00da89067c7dea0d0c04111d6e1 [0,1,0,0,0,0|3,0,0]=4 2252 B11R0.142 COCCCNC(=O)[C@@H](C)OC ff1ddab09956938566a07c42daa53e36 [0,1,0,0,0,0|3,0,0]=4 2253 B11R0.142 COCCCNC(=O)[C@@H](O)CO 650602a2c4f5045bb6442624e1787606 [0,1,0,0,0,0|3,0,0]=4 2254 B11R0.142 COCCCNC(=O)[C@H](C)OC a93bbbc82d114feba6867e461c5b6772 [0,1,0,0,0,0|3,0,0]=4 2255 B11R0.142 COCCCNC(=O)[C@H](O)CF 38101a8b13059aa0f6c50e00045ec7f0 [0,1,0,0,0,0|3,0,0]=4 2256 B11R0.142 CO[C@@H](C)C(=O)NCCCCCl 3aa1438a365a9c4fbf31a5c39afdec56 [0,1,0,0,0,0|3,0,0]=4 2257 B11R0.142 CO[C@@H](C)C(=O)NCCCCO 351d74eb02f76f84b69fb4a11cee2ecf [0,1,0,0,0,0|3,0,0]=4 2258 B11R0.142 CO[C@@H](C)C(=O)NCCCCS 15c9ec18fad08890eef91808e869a9f0 [0,1,0,0,0,0|3,0,0]=4 2259 B11R0.142 CO[C@@H](C)C(=O)NCCCSC a2ac5aa648a7c1fe6252c4911f7c5184 [0,1,0,0,0,0|3,0,0]=4 2260 B11R0.142 CO[C@H](C)C(=O)NCCCCCl bc4b70e87b03e358cf620f043f4ea6fe [0,1,0,0,0,0|3,0,0]=4 2261 B11R0.142 CO[C@H](C)C(=O)NCCCCO b14536e2839ee1241272a0dd91e619ae [0,1,0,0,0,0|3,0,0]=4 2262 B11R0.142 CO[C@H](C)C(=O)NCCCCS 83edbe06ab173a3d886f9a3eb7b4cda3 [0,1,0,0,0,0|3,0,0]=4 2263 B11R0.142 CO[C@H](C)C(=O)NCCCSC 5688d7c92756f9d3e2ba0a452a1e041a [0,1,0,0,0,0|3,0,0]=4 2264 B11R0.142 CSC(C)C(=O)NCCCCCl e14227201658581a83b0558054a05475 [0,1,0,0,0,0|3,0,0]=4 2265 B11R0.142 CSC(C)C(=O)NCCCCO c32b0953fdc7e6553a2b5d2d2e8d8ea9 [0,1,0,0,0,0|3,0,0]=4 2266 B11R0.142 CSC(C)C(=O)NCCCCS 7c969468f3be82749ff8c3b97bc1f880 [0,1,0,0,0,0|3,0,0]=4 2267 B11R0.142 CSCCCNC(=O)C(C)SC 49c4974c3837c2de15876bb8af602bf0 [0,1,0,0,0,0|3,0,0]=4 2268 B11R0.142 CSCCCNC(=O)C(O)CO fc2c4b21024c89efb3495db0cbbf650b [0,1,0,0,0,0|3,0,0]=4 2269 B11R0.142 CSCCCNC(=O)[C@@H](O)CO 7081688aa7ac1527cf726475fb6a44f1 [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.142 CSCCCNC(=O)[C@H](O)CF 4d885f26d477bf8c5ec1e8bb94f9c408 [0,1,0,0,0,0|3,0,0]=4 2271 B11R0.142 O=C(NCCCCCl)C(O)CO 5168457502690f94443d080e1ebb74c0 [0,1,0,0,0,0|3,0,0]=4 2272 B11R0.142 O=C(NCCCCCl)[C@@H](O)CO 78981557e5dc976982c7c060787f3aba [0,1,0,0,0,0|3,0,0]=4 2273 B11R0.142 O=C(NCCCCCl)[C@H](O)CF a3ac0ebcb24ac9915a2424917fbeb8d8 [0,1,0,0,0,0|3,0,0]=4 2274 B11R0.142 O=C(NCCCCO)C(O)CO 91fadf615d08f59d7f3aef5233cdf351 [0,1,0,0,0,0|3,0,0]=4 2275 B11R0.142 O=C(NCCCCO)[C@@H](O)CO 6887bb42ec2731ff9fdf5878edfbcb6c [0,1,0,0,0,0|3,0,0]=4 2276 B11R0.142 O=C(NCCCCO)[C@H](O)CF 024711717425ab8ff5cbc691bfe59c6e [0,1,0,0,0,0|3,0,0]=4 2277 B11R0.142 O=C(NCCCCS)C(O)CO 89a82d82377dd02f1876372a310e14f7 [0,1,0,0,0,0|3,0,0]=4 2278 B11R0.142 O=C(NCCCCS)[C@@H](O)CO 1c920a949110f1f991f694fc1ec36781 [0,1,0,0,0,0|3,0,0]=4 2279 B11R0.142 O=C(NCCCCS)[C@H](O)CF fb9d298a2bf233f2b9a173a522fed374 [0,1,0,0,0,0|3,0,0]=4 2280 B11R0.155 C#CCC(=O)N(C)CCCCC 8596a179f2051fac0a7a6c350ea2fc22 [0,1,0,0,0,0|1,0,2]=4 2281 B11R0.155 C/C=C/C(=O)N(C)CCCCC 97ef8a6123663811e3a2ca88557b78a1 [0,1,0,0,0,0|1,0,2]=4 2282 B11R0.155 C=C(CCC)C(=O)NCCCC 8da78ccc70ef073710392e9ca5a4309d [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.155 C=C(CNCCC)C(=O)OCC 114c43991694e4ba5b7c6f4379073d3b [0,1,0,0,0,0|3,0,0]=4 2284 B11R0.155 C=C(COCCC)C(=O)OCC 440a6138f45deca727c3c925ab1c9396 [0,1,0,0,0,0|3,0,0]=4 2285 B11R0.155 C=CCC(=O)N(C)CCCCC b2d5a795d5e413aaaa3c2cb881406f7c [0,1,0,0,0,0|1,0,2]=4 2286 B11R0.155 C=CCCCN(C)C(=O)CCC 68a202c17d55fa648874ea2634eafe83 [0,1,0,0,0,0|1,0,2]=4 2287 B11R0.155 CC#CC(=O)N(C)CCCCC 5d373bfbf20198be5874cdc22ff672ad [0,1,0,0,0,0|1,0,2]=4 2288 B11R0.155 CCCC(=O)C(=O)NCCCCl b016af4d4e15e11228b9c4ff89839eb7 [0,1,0,0,0,0|3,0,0]=4 2289 B11R0.155 CCCC(=O)C(=O)NCCCO 9c3585798047e2f2ec89048c6c2631d9 [0,1,0,0,0,0|3,0,0]=4 2290 B11R0.155 CCCC(=O)C(=O)NCCOC 85e7fc223b6131cff677c485da205e60 [0,1,0,0,0,0|3,0,0]=4 2291 B11R0.155 CCCC(=O)C(=O)NCCSC feb9935e371abe7f656cc359838d7894 [0,1,0,0,0,0|3,0,0]=4 2292 B11R0.155 CCCC(=O)N(C)CCCCO 2264f20602147b18b25c4bae23d43ce7 [0,1,0,0,0,0|2,0,0]=3 2293 B11R0.155 CCCC(=O)N(C)CCCOC ca6ddc87898964380d534be3c3e8f289 [0,1,0,0,0,0|2,0,0]=3 2294 B11R0.155 CCCC(=O)N(C)CCOCC db00de519d1de829c327f6faf2225a0c [0,1,0,0,0,0|2,0,0]=3 2295 B11R0.155 CCCCCC(=O)N(C)CCC 7b3a4a8d0f7eb6e69d5ef5ae6144192e [0,1,0,0,0,0|3,0,0]=4 2296 B11R0.155 CCCCCC(C)N(C)CCC 25324ed71c87513310a1cd3237e9798e [0,1,0,0,0,0|3,0,0]=4 2297 B11R0.155 CCCCCN(C)C(=O)CC#N b62217938a599496965e7b22f47a313c [0,1,0,0,0,0|2,0,1]=4 2298 B11R0.155 CCCCCN(C)C(=O)CC=O 404258a537bd859300969c8d63cd9777 [0,1,0,0,0,0|2,0,1]=4 2299 B11R0.155 CCCCCN(C)C(=O)CCC f69c208eb29980023e139971dcc14c2a [0,1,0,0,0,0|1,0,0]=2 2300 B11R0.155 CCCCCN(C)C(=O)CCF ea9306df801c4f2e5fabd77f71ebfa33 [0,1,0,0,0,0|2,0,0]=3 2301 B11R0.155 CCCCCN(C)C(=O)CCO f689e77438f2ee9658b8783bc6dd554c [0,1,0,0,0,0|2,0,0]=3 2302 B11R0.155 CCCCCN(C)C(=O)CCS b46f47e11b0f9247ec5c4a142524cf9e [0,1,0,0,0,0|2,0,0]=3 2303 B11R0.155 CCCCCN(C)C(=O)COC 485625bbc3daa71c129b6eb8523586a8 [0,1,0,0,0,0|2,0,0]=3 2304 B11R0.155 CCCCCN(C)C(=O)CON 2e491795f3a491260fea287480bb1f65 [0,1,0,0,0,0|3,0,0]=4 2305 B11R0.155 CCCCCN(C)C(=O)CSC e215d611c77e96fb7d7097dbbda1b1e7 [0,1,0,0,0,0|2,0,0]=3 2306 B11R0.155 CCCCCN(C)C(C)CCC 970ae3d5f048fc4c68dd55f1f817d726 [0,1,0,0,0,0|2,0,1]=4 2307 B11R0.155 CCCCC[C@H](C)N(C)CCC b092f8147c516893fab842fcd121d6eb [0,1,0,0,0,0|3,0,0]=4 2308 B11R0.155 CCCCNC(=O)C(=O)CCC e6c5a3b9f2b52c40c8aa3aeabed5b416 [0,1,0,0,0,0|2,0,0]=3 2309 B11R0.155 CCCCNC(=O)C(=O)NCC 8a89c12f27f995e788bac24d6142e14d [0,1,0,0,0,0|3,0,0]=4 2310 B11R0.155 CCCCNC(=O)C(=O)OCC bdfded043e796bb568818197108f941f [0,1,0,0,0,0|3,0,0]=4 2311 B11R0.155 CCCCNC(C)C(=O)NCC 25ede7ed1115d29044d246b13c012665 [0,1,0,0,0,0|3,0,0]=4 2312 B11R0.155 CCCCNC(C)C(=O)OCC 27af75240eb222adea8217305b21c51b [0,1,0,0,0,0|3,0,0]=4 2313 B11R0.155 CCCCNC(F)C(=O)OCC cbb807366c8271c89bf86ba45f8377d5 [0,1,0,0,0,0|3,0,0]=4 2314 B11R0.155 CCCCN[C@@H](C)C(=O)NCC a199182d551b45b3fde818ba43731bf0 [0,1,0,0,0,0|3,0,0]=4 2315 B11R0.155 CCCCN[C@@H](C)C(=O)OCC 0390b6bec150aae098e56d72342e2ab5 [0,1,0,0,0,0|3,0,0]=4 2316 B11R0.155 CCCCN[C@H](C)C(=O)OCC f67ac1c32543409fe1bcd146334bcbd6 [0,1,0,0,0,0|3,0,0]=4 2317 B11R0.155 CCCCOC(C)C(=O)NCC c61fa4a615c516c3363f1277f54e6ddd [0,1,0,0,0,0|3,0,0]=4 2318 B11R0.155 CCCCOC(C)C(=O)OCC 32fec4c2f5eb0ee354067915f63330a4 [0,1,0,0,0,0|3,0,0]=4 2319 B11R0.155 CCCCOC(F)C(=O)OCC c5b6a6f493ca1a347bfcca5c59811892 [0,1,0,0,0,0|3,0,0]=4 2320 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 5e71c937499181f8c4615a2661d9385e [0,1,0,0,0,0|3,0,0]=4 2321 B11R0.155 CCCCO[C@H](C)C(=O)OCC 35add22490bf98674657b7331e8a0ce2 [0,1,0,0,0,0|3,0,0]=4 2322 B11R0.155 CCCNCC(C)C(=O)OCC 3544eda917d3f670b876734cc8040ed2 [0,1,0,0,0,0|3,0,0]=4 2323 B11R0.155 CCCNCC(O)C(=O)OCC a6dfe2f7e9169812dac058df308a7496 [0,1,0,0,0,0|3,0,0]=4 2324 B11R0.155 CCCOCC(C)C(=O)OCC aa8153ab2970b3d6980f7ec85c3b60b9 [0,1,0,0,0,0|3,0,0]=4 2325 B11R0.155 CCOCCN(C)C(=O)CCF 99f766802f77ebcdf26a4c744c666e6c [0,1,0,0,0,0|3,0,0]=4 2326 B11R0.155 CCOCCN(C)C(=O)CCO 5bb3460f6a53c6ae5919ac465ac5073d [0,1,0,0,0,0|3,0,0]=4 2327 B11R0.155 CCOCCN(C)C(=O)CCS 9d8ca60ecf705f1dc0b0256b0d52cba8 [0,1,0,0,0,0|3,0,0]=4 2328 B11R0.155 CCOCCN(C)C(=O)COC 36ca774256612d3e88f6d7bca4bd3784 [0,1,0,0,0,0|3,0,0]=4 2329 B11R0.155 CCOCCN(C)C(=O)CSC f638dac9ff434fbe746b57438500de68 [0,1,0,0,0,0|3,0,0]=4 2330 B11R0.155 CN(CCCCO)C(=O)CCF 9b36e9d482e31736537dac7e36dbff3f [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.155 CN(CCCCO)C(=O)CCO 2a8b246a3fda7980e6938ccddf2c283a [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.155 CN(CCCCO)C(=O)CCS 7238ce83300b42b65bddfa73a06f9b0d [0,1,0,0,0,0|3,0,0]=4 2333 B11R0.155 COCC(=O)N(C)CCCCO 7f4928c17254412555d7055b00428bc6 [0,1,0,0,0,0|3,0,0]=4 2334 B11R0.155 COCCCN(C)C(=O)CCF ac7985371aa20de7d509d4309e8f3624 [0,1,0,0,0,0|3,0,0]=4 2335 B11R0.155 COCCCN(C)C(=O)CCO 675e6f2d32cb9d839f861c559dfb4191 [0,1,0,0,0,0|3,0,0]=4 2336 B11R0.155 COCCCN(C)C(=O)CCS c6d1ca13c05722c04fc7aa5d34fe0c37 [0,1,0,0,0,0|3,0,0]=4 2337 B11R0.155 COCCCN(C)C(=O)COC 520e5d526f4a3f9716c18735b73fe170 [0,1,0,0,0,0|3,0,0]=4 2338 B11R0.155 COCCCN(C)C(=O)CSC c902a325d2ff718988cd24a47aca8691 [0,1,0,0,0,0|3,0,0]=4 2339 B11R0.155 CSCC(=O)N(C)CCCCO b2fa5c0e12697fe4dca0d3d6f9b62b14 [0,1,0,0,0,0|3,0,0]=4 2340 B11R0.161 C#CC(CCC)OCCCCC 498b228b33c4c14ae4eeeaf4ffbb7592 [0,1,0,0,0,0|1,0,1]=3 2341 B11R0.161 C#CC(CCC)OCCCCF 366fb4eb86dc1f0a26e72c8dddec2375 [0,1,0,0,0,0|2,0,1]=4 2342 B11R0.161 C#CC(CCC)OCCCOC 419238f15e230da4a1ea74c31375d221 [0,1,0,0,0,0|2,0,1]=4 2343 B11R0.161 C#CC(CCC)OCCCSC ad88d48eb4412940a229911d0e5364a1 [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.161 C#CC(CCC)OCCOCC f7998fadf846fedbd5ab2dc46b18e31f [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.161 C#CC(CCC)OCCSCC 8955c3ec98b912fa339e78a928c37087 [0,1,0,0,0,0|2,0,1]=4 2346 B11R0.161 C=CC(CCC)OCCCCC 21da9d389ae3af4833ffe07d46baf097 [0,1,0,0,0,0|1,0,1]=3 2347 B11R0.161 C=CC(CCC)OCCCCF 8180cdd461a1acf8fc9fb11188d755a7 [0,1,0,0,0,0|2,0,1]=4 2348 B11R0.161 C=CC(CCC)OCCCOC 2aa568f987a2495861b2318e0179778f [0,1,0,0,0,0|2,0,1]=4 2349 B11R0.161 C=CC(CCC)OCCCSC f36a00e767223a4cf05e5a919c57d241 [0,1,0,0,0,0|2,0,1]=4 2350 B11R0.161 C=CC(CCC)OCCOCC be5f361eb2e46da4a451c0c4d0bb75d5 [0,1,0,0,0,0|2,0,1]=4 2351 B11R0.161 C=CC(CCC)OCCSCC cd927dd1b81b6020d7c54a260c8dec10 [0,1,0,0,0,0|2,0,1]=4 2352 B11R0.161 CCCC(C#N)OCCCCF 99009871483c4419982f18ff5aa574f9 [0,1,0,0,0,0|2,0,1]=4 2353 B11R0.161 CCCC(C#N)OCCCOC 417d0b3874c12106bd33e865fe46eb83 [0,1,0,0,0,0|2,0,1]=4 2354 B11R0.161 CCCC(C#N)OCCCSC c38ba23ef6ea31552c87d3f523fb559a [0,1,0,0,0,0|2,0,1]=4 2355 B11R0.161 CCCC(C#N)OCCOCC 9a7c42c29d27cef28817fb36976d8b5c [0,1,0,0,0,0|2,0,1]=4 2356 B11R0.161 CCCC(C#N)OCCSCC f923ad14a1c6790361444e1bec86f278 [0,1,0,0,0,0|2,0,1]=4 2357 B11R0.161 CCCC(CC)OCCCCF 65f08a8fe7398309ad13a78c3ddcef76 [0,1,0,0,0,0|2,0,1]=4 2358 B11R0.161 CCCC(CC)OCCCCS d5cb4eacc01c7ec11898e27748bf2394 [0,1,0,0,0,0|2,0,1]=4 2359 B11R0.161 CCCC(CC)OCCCOC 582543ac2dcfefe9f457fedb48272238 [0,1,0,0,0,0|2,0,1]=4 2360 B11R0.161 CCCC(CC)OCCCSC 9d12bbefd5978e07a73d264ed26b1c6a [0,1,0,0,0,0|2,0,1]=4 2361 B11R0.161 CCCC(CC)OCCOCC bbe1375407a5e46799599b59d9d0f2dc [0,1,0,0,0,0|2,0,1]=4 2362 B11R0.161 CCCC(CC)OCCSCC 56942db0640d6b25fdb0c4b656a7cf13 [0,1,0,0,0,0|2,0,1]=4 2363 B11R0.161 CCCCCCN(CC)CCC 7059fabf20117bf2c3c270574369e53e [0,1,0,0,0,0|3,0,0]=4 2364 B11R0.161 CCCCCNC(CC)CCC ef9e17275166f0b1f75cc3b4211d1757 [0,1,0,0,0,0|2,0,1]=4 2365 B11R0.161 CCCCCNC(CO)CCC 57432c2124bfee92d8c177f102e4726a [0,1,0,0,0,0|1,0,2]=4 2366 B11R0.161 CCCCCN[C@@H](CO)CCC bf3cb51069dcc064385c63039207f6f4 [0,1,0,0,0,0|1,0,2]=4 2367 B11R0.161 CCCCCN[C@H](CO)CCC d2d89e1b2e7722db6ae831c552dabe2f [0,1,0,0,0,0|1,0,2]=4 2368 B11R0.161 CCCCCOC(C#N)CCC ee8f86062f0538ad0b3eaeccd25832bd [0,1,0,0,0,0|1,0,1]=3 2369 B11R0.161 CCCCCOC(CBr)CCBr 3769428292d8019e24065ecf44af1b80 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.161 CCCCCOC(CC)CCC f2da7427ed2a47ce91f00b2db766932d [0,1,0,0,0,0|1,0,1]=3 2371 B11R0.161 CCCCCOC(CC)COC 4e837d5b6d616ab4b03c4c139ff2e9f6 [0,1,0,0,0,0|2,0,1]=4 2372 B11R0.161 CCCCCOC(CC)CSC 81e704e70f14451b1bcc6b327a27dfa5 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.161 CCCCCOC(CCl)CCCl 5acbea1bc9e14e03153d29d3b7f558c7 [0,1,0,0,0,0|2,0,1]=4 2374 B11R0.161 CCCCCO[C@@H](CO)CCO bead00f5a39088ecc16585c51a08d567 [0,1,0,0,0,0|1,0,2]=4 2375 B11R0.161 CCCCCO[C@H](CC)CCC 57aa42fe795141b0c2fc44debe0cecbe [0,1,0,0,0,0|1,0,1]=3 2376 B11R0.161 CCC[C@@H](CC)OCCCCF b2e8087b688085be5e8baa0fbaa4171f [0,1,0,0,0,0|2,0,1]=4 2377 B11R0.161 CCC[C@@H](CC)OCCCOC 45783dfeb183bcfb7464076abab826ca [0,1,0,0,0,0|2,0,1]=4 2378 B11R0.161 CCC[C@@H](CC)OCCCSC 11fd4a1fe1155220c6425dde2d8ec910 [0,1,0,0,0,0|2,0,1]=4 2379 B11R0.161 CCC[C@@H](CC)OCCOCC f1747dfba292810829f40478704045c4 [0,1,0,0,0,0|2,0,1]=4 2380 B11R0.161 CCC[C@@H](CC)OCCSCC 70c90254b7ff16211cbf6be0352be38f [0,1,0,0,0,0|2,0,1]=4 2381 B11R0.174 C#CC(C)NCOC(=O)CCC 8d3fbf840f6fda0686c3ee0b62aba103 [0,1,0,0,0,0|1,0,2]=4 2382 B11R0.174 C#CC(C)OCOC(=O)CCC efa01e746785a857f9706e8eeea408a2 [0,1,0,0,0,0|1,0,2]=4 2383 B11R0.174 C#CCC(=O)NCCC(C)CC e4d06d6af602b50a319a2680fd192ad2 [0,1,0,0,0,0|1,0,2]=4 2384 B11R0.174 C#C[C@@H](C)NCOC(=O)CCC 9ce57617ecb0927c911590d2e23eccad [0,1,0,0,0,0|1,0,2]=4 2385 B11R0.174 C#C[C@@H](C)OCOC(=O)CCC 7166ac79ceb053d5b46141b0906fce98 [0,1,0,0,0,0|1,0,2]=4 2386 B11R0.174 C#C[C@H](C)NCOC(=O)CCC d247d3ac844b5b1200a1a38c8a4fff0e [0,1,0,0,0,0|1,0,2]=4 2387 B11R0.174 C#C[C@H](C)OCOC(=O)CCC 0ee20c77d34adae0fd6ce93235ff8385 [0,1,0,0,0,0|1,0,2]=4 2388 B11R0.174 C/C=C/C(=O)NCCC(C)CC 018e81d23349f2e77b25f30f9d3f7573 [0,1,0,0,0,0|1,0,2]=4 2389 B11R0.174 C=CC(C)NCOC(=O)CCC 67453b6f03d0e581bb579f6ee8d5d354 [0,1,0,0,0,0|1,0,2]=4 2390 B11R0.174 C=CC(C)OCOC(=O)CCC 408882ccfd1bd1dafe6050666537a151 [0,1,0,0,0,0|1,0,2]=4 2391 B11R0.174 C=CCC(=O)NCCC(C)CC 2916a43dfdf1663a5b9500f5d08f692b [0,1,0,0,0,0|1,0,2]=4 2392 B11R0.174 C=C[C@H](C)OCOC(=O)CCC 665ef69363121b8d2c6f8af70b8eab99 [0,1,0,0,0,0|1,0,2]=4 2393 B11R0.174 CC#CC(=O)NCCC(C)CC c1c639a7591a4d88015087b8c16fa3c1 [0,1,0,0,0,0|1,0,2]=4 2394 B11R0.174 CC(CO)CCNC(=O)CCF 54b4b611e348f19c319dcfc0894c7480 [0,1,0,0,0,0|3,0,0]=4 2395 B11R0.174 CC(CO)CCNC(=O)CCO 0041bf5538fdff68a06e234aaaf66686 [0,1,0,0,0,0|3,0,0]=4 2396 B11R0.174 CC(CO)CCNC(=O)CCS a85f8b22e98dbf3c48f3f2b5b412ca92 [0,1,0,0,0,0|3,0,0]=4 2397 B11R0.174 CCC(C)CCNC(=O)CC#N edfff0508faa5acd58b3de81983cb047 [0,1,0,0,0,0|2,0,1]=4 2398 B11R0.174 CCC(C)CCNC(=O)CC=O 98ae986cb279e19c6c80e894d7b6a152 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.174 CCC(C)CCNC(=O)CCF 0899de14838b129c34eeb532b36dfedb [0,1,0,0,0,0|2,0,0]=3 2400 B11R0.174 CCC(C)CCNC(=O)CCO 5803835e5829b884f4e2b83075f8f017 [0,1,0,0,0,0|2,0,0]=3 2401 B11R0.174 CCC(C)CCNC(=O)CCS 09ffeb8dfc3d54a0d7e2c60650a4b119 [0,1,0,0,0,0|2,0,0]=3 2402 B11R0.174 CCC(C)CCNC(=O)COC 63603d217ef71739399a79818f1a97fb [0,1,0,0,0,0|2,0,0]=3 2403 B11R0.174 CCC(C)CCNC(=O)CON 75f258cc5dfa5118b17cac44e1b4f626 [0,1,0,0,0,0|3,0,0]=4 2404 B11R0.174 CCC(C)CCNC(=O)CSC e442634dab13bc564a34753ee544e510 [0,1,0,0,0,0|2,0,0]=3 2405 B11R0.174 CCC(C)CCOC(C)COC 2c39bacf3fb61c31416bfc519a4209b6 [0,1,0,0,0,0|2,0,1]=4 2406 B11R0.174 CCC(C)CCOC(C)CSC 5de92164c8eb7f5d17a7b1ed00005cba [0,1,0,0,0,0|2,0,1]=4 2407 B11R0.174 CCC(C)CCO[C@@H](C)COC 5b38d9ba5e0888a6b0532e8017b04951 [0,1,0,0,0,0|2,0,1]=4 2408 B11R0.174 CCC(C)CCO[C@H](C)COC 726603cf6c3c2921a8c1cd4ada9dac72 [0,1,0,0,0,0|2,0,1]=4 2409 B11R0.174 CCC(C)CNCC(=O)COC 558d8a9bafc902a0dca311e20261784c [0,1,0,0,0,0|3,0,0]=4 2410 B11R0.174 CCC(C)COCC(=O)COC fb22baab399b50b1cd26dbe4c849a82b [0,1,0,0,0,0|3,0,0]=4 2411 B11R0.174 CCC(O)CNCC(=O)COC 51a9e41662ec270136c5a181d3c53abb [0,1,0,0,0,0|3,0,0]=4 2412 B11R0.174 CCC(S)CCOC(C)COC f4d2fe6d5b8ecfbd191e4d14f3fcc4cd [0,1,0,0,0,0|2,0,1]=4 2413 B11R0.174 CCCC(=O)CNCC(Br)CBr 54e07c4e09afdd0009808c4f65f25fca [0,1,0,0,0,0|3,0,0]=4 2414 B11R0.174 CCCC(=O)CNCC(C)CC c8647cfe415dd381af3811782873197c [0,1,0,0,0,0|2,0,0]=3 2415 B11R0.174 CCCC(=O)CNCC(C)CO 53aedab1873672eeda356b387cc5860a [0,1,0,0,0,0|3,0,0]=4 2416 B11R0.174 CCCC(=O)CNCC(F)CO 567619b69586d7dcef196e1b1f157e12 [0,1,0,0,0,0|3,0,0]=4 2417 B11R0.174 CCCC(=O)CNCC(O)CC 4ff9b1bcf0643d45034fea2f1ac5a8eb [0,1,0,0,0,0|2,0,0]=3 2418 B11R0.174 CCCC(=O)CNCC(O)CO 2253c4fe418468da92fc956cc714a0ea [0,1,0,0,0,0|3,0,0]=4 2419 B11R0.174 CCCC(=O)CNC[C@@H](C)CC 38e8ff0ca0ff2148b106d2a9a7604485 [0,1,0,0,0,0|2,0,0]=3 2420 B11R0.174 CCCC(=O)CNC[C@@H](C)OC f8f677c36400c0be3cbc7d57a0c0481b [0,1,0,0,0,0|3,0,0]=4 2421 B11R0.174 CCCC(=O)CNC[C@@H](F)CO 6652f9600c1ef973f528b31b9883f317 [0,1,0,0,0,0|3,0,0]=4 2422 B11R0.174 CCCC(=O)CNC[C@@H](O)CO d33ed526f57b6d842ebd1def7630498f [0,1,0,0,0,0|3,0,0]=4 2423 B11R0.174 CCCC(=O)CNC[C@H](C)CO 1f154e7a6a571099e79dd179178f2c16 [0,1,0,0,0,0|3,0,0]=4 2424 B11R0.174 CCCC(=O)CNC[C@H](C)OC 3d2c5ea61b8daada2f26d0e5281ffe54 [0,1,0,0,0,0|3,0,0]=4 2425 B11R0.174 CCCC(=O)CNC[C@H](F)CO cd974243bc7699ef74d8a81c5a6b4d20 [0,1,0,0,0,0|3,0,0]=4 2426 B11R0.174 CCCC(=O)CNC[C@H](O)CC 345b99b27a4bf75b4e3a8995dc5eb90f [0,1,0,0,0,0|2,0,0]=3 2427 B11R0.174 CCCC(=O)CNC[C@H](O)CO 7274ae55fb342e92303f4e5773a92fc1 [0,1,0,0,0,0|3,0,0]=4 2428 B11R0.174 CCCC(=O)COCC(=O)CC 91dc256878eb6cf16348b6d554bcdbd9 [0,1,0,0,0,0|2,0,1]=4 2429 B11R0.174 CCCC(=O)COCC(Br)CBr c6dc7569c26ebaf40f77e8611cccf343 [0,1,0,0,0,0|3,0,0]=4 2430 B11R0.174 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CCCC(=O)NCCC(C)CO 5580741a653cea89bff2f615f8a2b4f2 [0,1,0,0,0,0|2,0,0]=3 2442 B11R0.174 CCCC(=O)NCCC(O)CO 211eb0bab66a0c879404742b82c6ef0f [0,1,0,0,0,0|2,0,0]=3 2443 B11R0.174 CCCC(=O)NCC[C@@H](C)CO 0caef6e5887d044d434d243e4fc80097 [0,1,0,0,0,0|2,0,0]=3 2444 B11R0.174 CCCC(=O)OCNC(C)C#N 2c817f464aad8f93defb66a8f8f5c7f8 [0,1,0,0,0,0|2,0,1]=4 2445 B11R0.174 CCCC(=O)OCNC(C)CO 3cb8aa3011f3cf363d33fc5ea9c40197 [0,1,0,0,0,0|2,0,0]=3 2446 B11R0.174 CCCC(=O)OCN[C@@H](C)CO bc3b9f0a10c829dd7617057f60709418 [0,1,0,0,0,0|2,0,0]=3 2447 B11R0.174 CCCC(=O)OCN[C@H](C)CO 677a400e6a5aef49dab8ef491c8bd045 [0,1,0,0,0,0|2,0,0]=3 2448 B11R0.174 CCCC(=O)OCOC(C)C=O 63a9c9cf543b56d95237b7081916e956 [0,1,0,0,0,0|2,0,1]=4 2449 B11R0.174 CCCC(=S)OCCC(=O)NC f9a881469a62d1b4732c0dc801ac9611 [0,1,0,0,0,0|1,1,1]=4 2450 B11R0.174 CCCC(=S)OCCC(=O)OC fc5d4b6a28a0db2c29f6eabef0f1c853 [0,1,0,0,0,0|1,1,1]=4 2451 B11R0.174 CCCC(=S)OCCC(C)CC 2ba61eadda133515d7485573787bb76b [0,1,0,0,0,0|0,1,0]=2 2452 B11R0.174 CCCC(=S)OCCS(=O)CC 2b06843b6c87c654bbe5e4424f1b7bfe [0,1,0,0,0,0|1,1,0]=3 2453 B11R0.174 CCCC(=S)OCOC(=O)CC 845ebcc1def87d3b0ee7c2b3643c5ed1 [0,1,0,0,0,0|1,1,1]=4 2454 B11R0.174 CCCC(C)NCCC(C)CC 4d85f1813cf1028fd98b76d8c21eed24 [0,1,0,0,0,0|2,0,1]=4 2455 B11R0.174 CCCC(C)OCCC(C)CC cb1e2f71cd4d4a326ccf8e8235e33fb3 [0,1,0,0,0,0|1,0,1]=3 2456 B11R0.174 CCCC(C)OCCC(C)OC eccb32cab462e84f91b5e66918b4b1be [0,1,0,0,0,0|2,0,1]=4 2457 B11R0.174 CCCC(C)OCCC(S)CC 178b306c97c0346eca6aa6dd3d7fe92d [0,1,0,0,0,0|1,0,1]=3 2458 B11R0.174 CCCC(C)OCCS(=O)CC 6cb1da3f88ad4f6f3b5cca4dfada45c9 [0,1,0,0,0,0|2,0,1]=4 2459 B11R0.174 CCCC(C)OCC[C@@H](C)CC dd5856b698906328b17c13f69dcf3c76 [0,1,0,0,0,0|1,0,1]=3 2460 B11R0.174 CCC[C@@H](C)OCCC(C)CC a598b663b82007047618842b3046713a [0,1,0,0,0,0|1,0,1]=3 2461 B11R0.174 CCC[C@@H](C)OCCS(=O)CC 8a39d8e5afc896ff46974431cd6b26da [0,1,0,0,0,0|2,0,1]=4 2462 B11R0.174 CCC[C@H](C)NCCC(C)CC f8afaee6d630c08bdc4361a63ea27afc [0,1,0,0,0,0|2,0,1]=4 2463 B11R0.174 CCC[C@H](C)OCCC(C)CC d77460a82da907488443403260accfdf [0,1,0,0,0,0|1,0,1]=3 2464 B11R0.174 CCC[C@H](C)OCCS(=O)CC 902555770627b67f480e2c42402ef244 [0,1,0,0,0,0|2,0,1]=4 2465 B11R0.174 CCNC(=O)CCNC(C)CC 2b971ac44a61492f42e6cd0910c8447d [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.174 CCNC(=O)CCN[C@@H](C)CC 30e0d821ea90d6a3ffb06ffeb2362ff6 [0,1,0,0,0,0|3,0,0]=4 2467 B11R0.174 CCNC(=O)CCN[C@H](C)CC a79d7f599ad2d25484536959e48e5bf7 [0,1,0,0,0,0|3,0,0]=4 2468 B11R0.174 CCNC(=O)CCOC(C)CC 8c07164e049e564e03dd0b63114945bc [0,1,0,0,0,0|3,0,0]=4 2469 B11R0.174 CCNC(=O)CCO[C@@H](C)CC 2cc8785d36fecc215da0dd02574e2442 [0,1,0,0,0,0|3,0,0]=4 2470 B11R0.174 CCNC(=O)CCO[C@H](C)CC 3756034ea9435a8e5e1758665751aca1 [0,1,0,0,0,0|3,0,0]=4 2471 B11R0.174 CCNC(=O)CNCC(C)CC 115ef7f9fcc2e9902184af401352ae66 [0,1,0,0,0,0|3,0,0]=4 2472 B11R0.174 CCNC(=O)CNCC(O)CC 7df7c5d32842a6e72be26a3e2eb857bb [0,1,0,0,0,0|3,0,0]=4 2473 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 594854b7225e1d6bc34c9624b0a0e356 [0,1,0,0,0,0|3,0,0]=4 2474 B11R0.174 CCNC(=O)CNC[C@H](C)CC fe15631490c79dc25aba274f9c00b8cb [0,1,0,0,0,0|3,0,0]=4 2475 B11R0.174 CCNC(=O)CNC[C@H](O)CC a6033a77b5eb693de4c52b4868768bab [0,1,0,0,0,0|3,0,0]=4 2476 B11R0.174 CCNC(=O)COCC(C)CC 512bf49566c7cabced69a566f53d89a4 [0,1,0,0,0,0|3,0,0]=4 2477 B11R0.174 CCNC(=O)COC[C@@H](C)CC 94e9b70c40ae836fe98db66244fb4f86 [0,1,0,0,0,0|3,0,0]=4 2478 B11R0.174 CCNC(=O)COC[C@H](C)CC 33b0e3b0457f5293ee5aa9d922c7ab12 [0,1,0,0,0,0|3,0,0]=4 2479 B11R0.174 CCOC(=O)CCCN(C)CC fc56025fed81f908bafe7b9c72ec229e [0,1,0,0,0,0|3,0,0]=4 2480 B11R0.174 CCOC(=O)CCNC(C)CC 59533b0e85bb0fa26d54baeb203c3a7b [0,1,0,0,0,0|3,0,0]=4 2481 B11R0.174 CCOC(=O)CCN[C@@H](C)CC 3d178d7c5c2511fe50354017144b2081 [0,1,0,0,0,0|3,0,0]=4 2482 B11R0.174 CCOC(=O)CCN[C@H](C)CC f7a1d8e7b0bb987fc2534c5a576ce7f7 [0,1,0,0,0,0|3,0,0]=4 2483 B11R0.174 CCOC(=O)CCOC(C)CC a38a52f391ad958208708b0bbaef4874 [0,1,0,0,0,0|3,0,0]=4 2484 B11R0.174 CCOC(=O)CCO[C@@H](C)CC 35ee7cfdcd9a935ed936938e5ec441bd [0,1,0,0,0,0|3,0,0]=4 2485 B11R0.174 CCOC(=O)CCO[C@H](C)CC 96293a69e74a3be7e1eead47dafd40dd [0,1,0,0,0,0|3,0,0]=4 2486 B11R0.174 CCOC(=O)CNCC(C)CC 15733929e10d1b9f773a9458c90b10ba [0,1,0,0,0,0|3,0,0]=4 2487 B11R0.174 CCOC(=O)CNCC(O)CC 3bab25d61d723aa0302bb3f746100edb [0,1,0,0,0,0|3,0,0]=4 2488 B11R0.174 CCOC(=O)CNC[C@@H](C)CC de3af74ee73cc70bc82efcb42b3ad43d [0,1,0,0,0,0|3,0,0]=4 2489 B11R0.174 CCOC(=O)CNC[C@H](C)CC a09db25d4e745756044b711429d27215 [0,1,0,0,0,0|3,0,0]=4 2490 B11R0.174 CCOC(=O)CNC[C@H](O)CC 9d4cb04ed54c2e1c907bd531e639bbe2 [0,1,0,0,0,0|3,0,0]=4 2491 B11R0.174 CCOC(=O)COCC(C)CC e43649abaf6b5eab31e4b498ea273dee [0,1,0,0,0,0|3,0,0]=4 2492 B11R0.174 CCOC(=O)COC[C@@H](C)CC 8cadc7324da518b412e3df9518b671a6 [0,1,0,0,0,0|3,0,0]=4 2493 B11R0.174 CCOC(=O)COC[C@H](C)CC a1fb532e5ed4def108423595527735f7 [0,1,0,0,0,0|3,0,0]=4 2494 B11R0.174 CCOC(=O)OCNC(C)CO 0661366a741e4baff81656c883c2f9c8 [0,1,0,0,0,0|3,0,0]=4 2495 B11R0.174 CCOC(=O)OCN[C@@H](C)CO fa4426cf2d99a0eb4dc9fc31f0558003 [0,1,0,0,0,0|3,0,0]=4 2496 B11R0.174 CCOC(=O)OCN[C@H](C)CO 83a0ac733a2b15e367da6d7f6e396a28 [0,1,0,0,0,0|3,0,0]=4 2497 B11R0.174 CCSC(=O)OCNC(C)CC 7fd5014730a3bb70b7c7b9d13f7e3650 [0,1,0,0,0,0|2,0,0]=3 2498 B11R0.174 CCSC(=O)OCNC(C)CO bbf6837d25f896509aaeac792daa40a6 [0,1,0,0,0,0|3,0,0]=4 2499 B11R0.174 CCSC(=O)OCN[C@@H](C)CC 0f41813936879897d6e4112247295e2b [0,1,0,0,0,0|2,0,0]=3 2500 B11R0.174 CCSC(=O)OCN[C@@H](C)CO b000029594e5854bb858d219ae7a545f [0,1,0,0,0,0|3,0,0]=4 2501 B11R0.174 CCSC(=O)OCN[C@H](C)CC d74bd05c90503b210b485ca9f72081a0 [0,1,0,0,0,0|2,0,0]=3 2502 B11R0.174 CCSC(=O)OCN[C@H](C)CO e66d4b8f69af1192dd52082e2d0f4a7e [0,1,0,0,0,0|3,0,0]=4 2503 B11R0.174 CCSC(=O)OCOC(C)CC 4ff470283a3ea5249bb6cbd41347629d [0,1,0,0,0,0|2,0,0]=3 2504 B11R0.174 CCSC(=O)OCOC(C)CF d2fed9a104f74302462518d5adad14e2 [0,1,0,0,0,0|3,0,0]=4 2505 B11R0.174 CCSC(=O)OCO[C@@H](C)CC def7715683f8f0719749c3740a9419e0 [0,1,0,0,0,0|2,0,0]=3 2506 B11R0.174 CCSC(=O)OCO[C@H](C)CC 77d8cbf4c7e3057c4a195a8f2bbe20c5 [0,1,0,0,0,0|2,0,0]=3 2507 B11R0.174 CC[C@@H](C)COCC(=O)COC 002b822f73ada2fa51df74f98b2142c8 [0,1,0,0,0,0|3,0,0]=4 2508 B11R0.174 CC[C@@H](O)CNCC(=O)COC ba3f9dadab12a8a85519476c7d81af41 [0,1,0,0,0,0|3,0,0]=4 2509 B11R0.174 CC[C@H](C)CCOC(C)COC f783a533c4b3ad7528b7e7da87f5c244 [0,1,0,0,0,0|2,0,1]=4 2510 B11R0.174 CC[C@H](C)CNCC(=O)COC 0211946f4861835c60c0c6ca98f5f9d6 [0,1,0,0,0,0|3,0,0]=4 2511 B11R0.174 CC[C@H](C)COCC(=O)COC f8d743dd3c8d34bd4ecaf9f873e7565b [0,1,0,0,0,0|3,0,0]=4 2512 B11R0.174 COCC(=O)NCCC(C)CO 949dc422ec0d349a5c2225540ab4aeac [0,1,0,0,0,0|3,0,0]=4 2513 B11R0.174 COCC(=O)NCCC(O)CO d4d2fadacf27429bcba419d244719420 [0,1,0,0,0,0|3,0,0]=4 2514 B11R0.174 COCC(=O)NCC[C@@H](C)CO e11988f3e226c4bfd946883629edf710 [0,1,0,0,0,0|3,0,0]=4 2515 B11R0.174 CSCC(=O)NCCC(C)CO 01c557b717a23b89dc5f2b53e6fe3214 [0,1,0,0,0,0|3,0,0]=4 2516 B11R0.174 CSCC(=O)NCCC(O)CO 320c5b3a6f640d2b6892ed69c00eb5cf [0,1,0,0,0,0|3,0,0]=4 2517 B11R0.174 CSCC(=O)NCC[C@@H](C)CO c0fed3b4ca3b5d89a840b6c267be6014 [0,1,0,0,0,0|3,0,0]=4 2518 B11R0.174 C[C@@H](CO)CCNC(=O)CCF b1ee8c80e7ff52d25891debd6eb4186d [0,1,0,0,0,0|3,0,0]=4 2519 B11R0.174 C[C@@H](CO)CCNC(=O)CCO da9dfeda8f415c868885df05f2dd5d9f [0,1,0,0,0,0|3,0,0]=4 2520 B11R0.174 C[C@@H](CO)CCNC(=O)CCS 799f2febc6a0ca25f86320f643d7851a [0,1,0,0,0,0|3,0,0]=4 2521 B11R0.174 O=C(CCF)NCCC(O)CO ff37ae949cd065633dd898bb7ab9d2ef [0,1,0,0,0,0|3,0,0]=4 2522 B11R0.174 O=C(CCO)NCCC(O)CO c03e8612925dd9323a4a63418769cf67 [0,1,0,0,0,0|3,0,0]=4 2523 B11R0.174 O=C(CCS)NCCC(O)CO a3d5bb259ea6a10e980c426cbb6aa045 [0,1,0,0,0,0|3,0,0]=4 2524 B11R0.176 C#CCC(=O)NCCCC(C)C efea248dd4eb82a41b7c303e7e738c18 [0,1,0,0,0,0|1,0,2]=4 2525 B11R0.176 C/C=C/C(=O)NCCCC(C)C 3d89c134843465b1c2b7598c90f3df65 [0,1,0,0,0,0|1,0,2]=4 2526 B11R0.176 C=C(Br)CNCOC(=O)CCC 78597947459243f3b288902de7e3b312 [0,1,0,0,0,0|1,0,2]=4 2527 B11R0.176 C=C(Br)COCOC(=O)CCC 97ebe49d30429fa3e4416d94d6f4291d [0,1,0,0,0,0|1,0,2]=4 2528 B11R0.176 C=C(C)CCCOC(=S)CCC 06f0d2133543f9c78504c69a8dcd99b6 [0,1,0,0,0,0|0,1,1]=3 2529 B11R0.176 C=C(C)CCCOC(C)CCC 31423e5291d34e19f4f1db5e68755e4f [0,1,0,0,0,0|1,0,2]=4 2530 B11R0.176 C=C(C)CCCO[C@@H](C)CCC b2d4e3ef7f4dd9ea0b8bbe7c43721bbe [0,1,0,0,0,0|1,0,2]=4 2531 B11R0.176 C=C(C)CCCO[C@H](C)CCC feb6b2aaba50419632b041cc12a5e5df [0,1,0,0,0,0|1,0,2]=4 2532 B11R0.176 C=C(C)CCNCC(=O)CCC 6a606e2e8db15771fc2f5abcf75b1f37 [0,1,0,0,0,0|2,0,1]=4 2533 B11R0.176 C=C(C)CCOCC(=O)CCC 9c44c524c3a3249e5de2ed263344d68f [0,1,0,0,0,0|2,0,1]=4 2534 B11R0.176 C=C(C)CNCOC(=O)CCC 2c571cde0834552be7ace0df261bed5e [0,1,0,0,0,0|1,0,1]=3 2535 B11R0.176 C=C(C)CNCOC(=O)OCC 999c5e097b54e8479cd3a807fb438a91 [0,1,0,0,0,0|2,0,1]=4 2536 B11R0.176 C=C(C)CNCOC(=O)SCC f36c35930314f9fd2c488ca16f33d0af [0,1,0,0,0,0|2,0,1]=4 2537 B11R0.176 C=C(C)COCOC(=O)CCC 703e5b52959455f5f84dfadfe1e3f05c [0,1,0,0,0,0|1,0,1]=3 2538 B11R0.176 C=C(C)COCOC(=O)OCC 6094d31ebb728ef3aa4c0a5c61622e6f [0,1,0,0,0,0|2,0,1]=4 2539 B11R0.176 C=C(C)COCOC(=O)SCC 1bb6a7b54a3b344a35d4b78e8d6dcbbe [0,1,0,0,0,0|2,0,1]=4 2540 B11R0.176 C=C(Cl)COCOC(=O)CCC 69b4f9e8cd129dbf2e853d218508631f [0,1,0,0,0,0|1,0,2]=4 2541 B11R0.176 C=C(I)COCOC(=O)CCC eae6b477397ffe4e05a8a569deaf1f70 [0,1,0,0,0,0|1,0,2]=4 2542 B11R0.176 C=CCC(=O)NCCCC(C)C 1dcea6a71ddfa8c9060a797915a26460 [0,1,0,0,0,0|1,0,2]=4 2543 B11R0.176 CC#CC(=O)NCCCC(C)C 4b169220ee10fcf71910c91aa509ce39 [0,1,0,0,0,0|1,0,2]=4 2544 B11R0.176 CC(C)CCCNC(=O)CC#N df2129595942044bc8715fc725ec0496 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.176 CC(C)CCCNC(=O)CC=O 193ec567d5a6df0438b824f7cad0f246 [0,1,0,0,0,0|2,0,1]=4 2546 B11R0.176 CC(C)CCCNC(=O)CCF 7cd6c42913b1c06ce9150402c063b0d8 [0,1,0,0,0,0|2,0,0]=3 2547 B11R0.176 CC(C)CCCNC(=O)CCO 6acd407b4da45db97c355e27d0572b93 [0,1,0,0,0,0|2,0,0]=3 2548 B11R0.176 CC(C)CCCNC(=O)CCS 442e6cb2b25c081cd1cb0fd03ac702da [0,1,0,0,0,0|2,0,0]=3 2549 B11R0.176 CC(C)CCCNC(=O)CON b201613f1e4a974fefd64c648e286ce8 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.176 CC(C)OCCNC(=O)CCF 6a805954dd972bc9f336cc2a79ffae44 [0,1,0,0,0,0|3,0,0]=4 2551 B11R0.176 CC(C)OCCNC(=O)CCO 611b3438ffa646a4d2579e8a4d971723 [0,1,0,0,0,0|3,0,0]=4 2552 B11R0.176 CC(C)OCCNC(=O)CCS a5ee2a54cca999d0b46dc31610904295 [0,1,0,0,0,0|3,0,0]=4 2553 B11R0.176 CCCC(=O)CNCCC(C)C 311c7bb78e0d041c14f5cbc9da42948d [0,1,0,0,0,0|2,0,0]=3 2554 B11R0.176 CCCC(=O)CNCCC(C)O b72f56b2f314d16d6202ad997932347b [0,1,0,0,0,0|2,0,0]=3 2555 B11R0.176 CCCC(=O)CNCCC(F)F 3423cf7e71dd8fe3354aa8a5c92861c0 [0,1,0,0,0,0|3,0,0]=4 2556 B11R0.176 CCCC(=O)CNCCN(C)C 00240278f85182e7e2684d63d9e7538c [0,1,0,0,0,0|3,0,0]=4 2557 B11R0.176 CCCC(=O)CNCCS(=O)C 18aed2c7aaa0ee74e25c6bd637749a42 [0,1,0,0,0,0|3,0,0]=4 2558 B11R0.176 CCCC(=O)CNCC[C@@H](C)O f4aa6314f056fc60d53d32325c6560d9 [0,1,0,0,0,0|2,0,0]=3 2559 B11R0.176 CCCC(=O)CNCC[C@H](C)O 4eb7668ba9255a3390da70d90c5df24b [0,1,0,0,0,0|2,0,0]=3 2560 B11R0.176 CCCC(=O)COCCC(=O)C 30d1f070029befa3b0666b78064dd252 [0,1,0,0,0,0|2,0,1]=4 2561 B11R0.176 CCCC(=O)COCCC(C)C fafcf3956ddfaf9fda8bcce367641fd0 [0,1,0,0,0,0|2,0,0]=3 2562 B11R0.176 CCCC(=O)COCCC(F)F dcd99da61cae5a75e55c884aa36902c0 [0,1,0,0,0,0|3,0,0]=4 2563 B11R0.176 CCCC(=O)COCCN(C)C 629ddddc14b4b1ccea1cb881ae7d0e74 [0,1,0,0,0,0|3,0,0]=4 2564 B11R0.176 CCCC(=O)COCCS(=O)C 5672df53a9563d296bdc63de60ead129 [0,1,0,0,0,0|3,0,0]=4 2565 B11R0.176 CCCC(=O)NCCCC(=O)N 3691ca77bf51910cfd79cffbf5b43d8e [0,1,0,0,0,0|2,0,1]=4 2566 B11R0.176 CCCC(=O)NCCCC(C)C 0addf1beaad564b615d19ab8a52af8fd [0,1,0,0,0,0|1,0,0]=2 2567 B11R0.176 CCCC(=O)NCCCN(C)C cf751259f6afbee38b97b33068a09f33 [0,1,0,0,0,0|2,0,0]=3 2568 B11R0.176 CCCC(=O)NCCCS(=O)C 670ba425e8076bffbcb725fbdc89baff [0,1,0,0,0,0|2,0,0]=3 2569 B11R0.176 CCCC(=O)NCCNC(=O)C fdf56c8b8f95ea88b4cd5b93357b35e6 [0,1,0,0,0,0|2,0,1]=4 2570 B11R0.176 CCCC(=O)NCCOC(C)C 8e1bc54ad65925ded434d7161bb4da8d [0,1,0,0,0,0|2,0,0]=3 2571 B11R0.176 CCCC(=O)NCCOC(F)F 048ce3182dfc419e743331e9d830b024 [0,1,0,0,0,0|3,0,0]=4 2572 B11R0.176 CCCC(=O)OCCOC(C)C d6fb9d55c8594e21b596cb2208cfae4e [0,1,0,0,0,0|1,0,0]=2 2573 B11R0.176 CCCC(=O)OCNCC(=O)C b5673b9cd851f7367e2fa76dc814d144 [0,1,0,0,0,0|1,0,1]=3 2574 B11R0.176 CCCC(=O)OCNCC(=O)N 328dae47b1454767a0a019c8036acabb [0,1,0,0,0,0|2,0,1]=4 2575 B11R0.176 CCCC(=O)OCNCC(C)C 462175424f431d5efe3005b98c3393e4 [0,1,0,0,0,0|1,0,0]=2 2576 B11R0.176 CCCC(=O)OCNCC(C)O b304759118d7c52a7f930f37e90b9124 [0,1,0,0,0,0|1,0,0]=2 2577 B11R0.176 CCCC(=O)OCNCC(F)F 92344a18ed33fbc042be1f41ca45162e [0,1,0,0,0,0|2,0,0]=3 2578 B11R0.176 CCCC(=O)OCNC[C@@H](C)O 0787f3e46adef2052e68a66bfd8172d2 [0,1,0,0,0,0|1,0,0]=2 2579 B11R0.176 CCCC(=O)OCNC[C@H](C)O 5ce52f7828f664ce01404fd1978aef6f [0,1,0,0,0,0|1,0,0]=2 2580 B11R0.176 CCCC(=O)OCOCC(=O)C 0cac0d6e16ed0d347915ddf8df507054 [0,1,0,0,0,0|1,0,1]=3 2581 B11R0.176 CCCC(=O)OCOCC(=O)N 32dc44a603d5555b535fae8ccf18bb39 [0,1,0,0,0,0|2,0,1]=4 2582 B11R0.176 CCCC(=O)OCOCC(=O)O 10cb912603c94c204284279a18b3d390 [0,1,0,0,0,0|2,0,1]=4 2583 B11R0.176 CCCC(=O)OCOCC(=S)N 00a5d61be93b96f2e3fa70b410cc14ef [0,1,0,0,0,0|2,0,1]=4 2584 B11R0.176 CCCC(=O)OCOCC(C)C 9d6081c835bc8424ad8872c9637ba9b8 [0,1,0,0,0,0|1,0,0]=2 2585 B11R0.176 CCCC(=O)OCOCC(C)F 95a6308264889399aeb20497624f246a [0,1,0,0,0,0|1,0,0]=2 2586 B11R0.176 CCCC(=O)OCOCC(C)S f505a3385959087b173f866d932faed1 [0,1,0,0,0,0|1,0,0]=2 2587 B11R0.176 CCCC(=O)OCOCC(F)F b598fdab7b7b930a2c4f9bc9d1ec0edc [0,1,0,0,0,0|2,0,0]=3 2588 B11R0.176 CCCC(=O)OCOCS(=O)O 81226620f999eb92fad587c7e85d4982 [0,1,0,0,0,0|3,0,0]=4 2589 B11R0.176 CCCC(=O)OCOC[C@@H](C)F f5a607bf0a321f8665b4338b4b2e95ba [0,1,0,0,0,0|1,0,0]=2 2590 B11R0.176 CCCC(=O)OCOC[C@H](C)F 059a603dece5a36f772994b06679f618 [0,1,0,0,0,0|1,0,0]=2 2591 B11R0.176 CCCC(=S)OC/C=C/C(C)C 612e6401099c5564ea000cc248a17431 [0,1,0,0,0,0|0,1,2]=4 2592 B11R0.176 CCCC(=S)OCCC=C(C)C 38284e115eab0ddc4aaad1f7731e77ed [0,1,0,0,0,0|0,1,2]=4 2593 B11R0.176 CCCC(=S)OCCCC(=O)C ff8c32e800cfc46d63e45dc82c5e6201 [0,1,0,0,0,0|0,1,1]=3 2594 B11R0.176 CCCC(=S)OCCCC(=O)N 0ef97b54f4d5e96b1d5c6e0e9d1093e4 [0,1,0,0,0,0|1,1,1]=4 2595 B11R0.176 CCCC(=S)OCCCC(=O)O 7620919911fa80680af601816fd3c6b5 [0,1,0,0,0,0|1,1,1]=4 2596 B11R0.176 CCCC(=S)OCCCC(C)C 0022d3acc9a321b5b7157c3dd124934e [0,1,0,0,0,0|0,1,0]=2 2597 B11R0.176 CCCC(=S)OCCCN(C)C b2bcc3558a7c6b44b33cc2707518645f [0,1,0,0,0,0|1,1,0]=3 2598 B11R0.176 CCCC(=S)OCCC[N+](=O)[O-] 75f271a9321363b25652ab12a5234724 [0,1,0,0,0,0|2,1,0]=4 2599 B11R0.176 CCCC(=S)OCCNC(=O)C cc2665946396f075cc7bf5e63c2955bb [0,1,0,0,0,0|1,1,1]=4 2600 B11R0.176 CCCC(=S)OCCOC(=O)C ae069b6cbcfcd18a36157920621bff1f [0,1,0,0,0,0|1,1,1]=4 2601 B11R0.176 CCCC(=S)OCCOC(C)C 83ae0a38e2e7a1397a1ad203d1a72a47 [0,1,0,0,0,0|1,1,0]=3 2602 B11R0.176 CCCC(=S)OCCOC(F)F 79ea38f6f01a5970ec67158ca739dec0 [0,1,0,0,0,0|2,1,0]=4 2603 B11R0.176 CCCC(=S)OCCSC(=O)C 69852cfae80e84a25ad632eb466e80ef [0,1,0,0,0,0|1,1,1]=4 2604 B11R0.176 CCCC(=S)OCCSC(C)C 1b2e3e0bc770d0a913575700f740552a [0,1,0,0,0,0|1,1,0]=3 2605 B11R0.176 CCCC(C)NCCCC(C)C f04bfc19f42e9a7285570ee0ba396bbb [0,1,0,0,0,0|2,0,1]=4 2606 B11R0.176 CCCC(C)NCCCC(C)O 631edea0bdce64152542720db6e368b5 [0,1,0,0,0,0|2,0,1]=4 2607 B11R0.176 CCCC(C)OCCCC(=O)C 96bfe9d58b63417e93594d6565e1abcf [0,1,0,0,0,0|1,0,2]=4 2608 B11R0.176 CCCC(C)OCCCC(C)C e3bb3c4c8fbb375bcd15bfb88c1609db [0,1,0,0,0,0|1,0,1]=3 2609 B11R0.176 CCCC(C)OCCCN(C)C f4df3e1a23461a921010976580ea2900 [0,1,0,0,0,0|2,0,1]=4 2610 B11R0.176 CCCC(C)OCCOC(C)C 956b3c7e04804815539604d8b7a5ce99 [0,1,0,0,0,0|2,0,1]=4 2611 B11R0.176 CCCC(C)OCCSC(C)C 579ac3a2d13873cc7b4bbf45ffdd65f4 [0,1,0,0,0,0|2,0,1]=4 2612 B11R0.176 CCCN(C)CCCCC(C)C 64b7040b645e04f5cd9237794a649b32 [0,1,0,0,0,0|3,0,0]=4 2613 B11R0.176 CCCN(C)CCCCC(C)O fd4ed3a5d668a0b7cf3d1160786f2906 [0,1,0,0,0,0|3,0,0]=4 2614 B11R0.176 CCCN(C)CCCC[C@@H](C)O aacd8625fa2314f297b0e0b9dcec693a [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.176 CCC[C@@H](C)OCCCC(=O)C 5c0372cf8436cbcabf8a92bbcecf0d0f [0,1,0,0,0,0|1,0,2]=4 2616 B11R0.176 CCC[C@@H](C)OCCCC(C)C 0b786c8e8da7f8b561a35fef44b01d3d [0,1,0,0,0,0|1,0,1]=3 2617 B11R0.176 CCC[C@@H](C)OCCCN(C)C 2c0c62dd7c589c6b8e40d642d313f777 [0,1,0,0,0,0|2,0,1]=4 2618 B11R0.176 CCC[C@@H](C)OCCOC(C)C c74586a1b12b1f11fac30a110009d770 [0,1,0,0,0,0|2,0,1]=4 2619 B11R0.176 CCC[C@@H](C)OCCSC(C)C 682586fc4d4110bd113f61a936b3fcaa [0,1,0,0,0,0|2,0,1]=4 2620 B11R0.176 CCC[C@H](C)NCCCC(C)C 139f65992f072b653f78a5c203bdf2cc [0,1,0,0,0,0|2,0,1]=4 2621 B11R0.176 CCC[C@H](C)NCCCC(C)O 890848f965f22eb1f5f5fa5a61063d5c [0,1,0,0,0,0|2,0,1]=4 2622 B11R0.176 CCC[C@H](C)OCCCC(=O)C 0e20888937b7c12d77484063f65da900 [0,1,0,0,0,0|1,0,2]=4 2623 B11R0.176 CCC[C@H](C)OCCCC(C)C 15284732fe8408fe58ec6d13ea3db5d1 [0,1,0,0,0,0|1,0,1]=3 2624 B11R0.176 CCC[C@H](C)OCCCN(C)C 8f6ed8c68dd9295126532f92194cd81e [0,1,0,0,0,0|2,0,1]=4 2625 B11R0.176 CCC[C@H](C)OCCOC(C)C 6fc53a884ab8dfbb931ca9ed3d5baf6f [0,1,0,0,0,0|2,0,1]=4 2626 B11R0.176 CCC[C@H](C)OCCSC(C)C 8b2676b0841a9803d999d2f96d138b56 [0,1,0,0,0,0|2,0,1]=4 2627 B11R0.176 CCNC(=O)CCNCC(C)C aeb65625e53a512f22c6b7f93568809a [0,1,0,0,0,0|3,0,0]=4 2628 B11R0.176 CCNC(=O)CCNCC(C)O 4a8b29fb50ccaeaf9df6638fa7118bd0 [0,1,0,0,0,0|3,0,0]=4 2629 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 7f474bf0f2b43e34d27da1fb09634ce2 [0,1,0,0,0,0|3,0,0]=4 2630 B11R0.176 CCNC(=O)CCNC[C@H](C)O b7e2f0dad4355c6beb52667516d70c51 [0,1,0,0,0,0|3,0,0]=4 2631 B11R0.176 CCNC(=O)CCOCC(C)C 6902ec025b5bf930b5ecb4ea83563a35 [0,1,0,0,0,0|3,0,0]=4 2632 B11R0.176 CCNC(=O)CCOCC(C)F 10f0a950b88f20c9bb2ee36258e0e2e2 [0,1,0,0,0,0|3,0,0]=4 2633 B11R0.176 CCNC(=O)CCOCC(C)S f59756427233f3c404ed386708baf58f [0,1,0,0,0,0|3,0,0]=4 2634 B11R0.176 CCNC(=O)CCOC[C@@H](C)F b8004b91a14a2069e8f2035d007549b7 [0,1,0,0,0,0|3,0,0]=4 2635 B11R0.176 CCNC(=O)CCOC[C@H](C)F 1242563167f435b3ae464475292c5b8f [0,1,0,0,0,0|3,0,0]=4 2636 B11R0.176 CCNC(=O)CNCCC(C)C ff3c5585e61abd52cf08c4c91845d65a [0,1,0,0,0,0|3,0,0]=4 2637 B11R0.176 CCNC(=O)CNCCC(C)O 848ec6a3bdab3950e94bd56c0712ccd0 [0,1,0,0,0,0|3,0,0]=4 2638 B11R0.176 CCNC(=O)CNCC[C@@H](C)O 0b8e4105e87dc85aa5af3f4c3acb0aee [0,1,0,0,0,0|3,0,0]=4 2639 B11R0.176 CCNC(=O)CNCC[C@H](C)O da644281ae27ac1f53cdb9c6b8846b63 [0,1,0,0,0,0|3,0,0]=4 2640 B11R0.176 CCNC(=O)COCCC(C)C d0507196a7e6bf1c34d2bdec31bf6a54 [0,1,0,0,0,0|3,0,0]=4 2641 B11R0.176 CCOC(=O)CCCNC(C)C 6090aeca0c12e15306006f1b8129a307 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.176 CCOC(=O)CCCOC(C)C cb3990b77ac8614d5a199dee0b6c670a [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.176 CCOC(=O)CCNCC(C)C a4a22cd37d958cae8ceeb73387556b90 [0,1,0,0,0,0|3,0,0]=4 2644 B11R0.176 CCOC(=O)CCNCC(C)O be2b98916a55b42175156b0abd4f7e8f [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.176 CCOC(=O)CCNC[C@@H](C)O 4a1dd57d45a3dc61a46db3bb3a9bbcb9 [0,1,0,0,0,0|3,0,0]=4 2646 B11R0.176 CCOC(=O)CCNC[C@H](C)O b78bb5c7366f131676015783c3a6e13b [0,1,0,0,0,0|3,0,0]=4 2647 B11R0.176 CCOC(=O)CCOCC(C)C 294a8e4c83ec6dde1c3beb7fda5e7260 [0,1,0,0,0,0|3,0,0]=4 2648 B11R0.176 CCOC(=O)CCOCC(C)F c77fad289fbad8a1e945795c54dc9cf2 [0,1,0,0,0,0|3,0,0]=4 2649 B11R0.176 CCOC(=O)CCOCC(C)S 7cce85eff7c24ee98ee771c3fe4f4461 [0,1,0,0,0,0|3,0,0]=4 2650 B11R0.176 CCOC(=O)CCOC[C@@H](C)F a028819f3f04aa6f49ddd16540f722c6 [0,1,0,0,0,0|3,0,0]=4 2651 B11R0.176 CCOC(=O)CCOC[C@H](C)F 4e371a4629921c3a6f195a5e5c9da766 [0,1,0,0,0,0|3,0,0]=4 2652 B11R0.176 CCOC(=O)CNCCC(C)C 9358c2b2b2d238560b9509b95c6cc015 [0,1,0,0,0,0|3,0,0]=4 2653 B11R0.176 CCOC(=O)CNCCC(C)O e1f9006d512cde7fecb5f51e75dc346a [0,1,0,0,0,0|3,0,0]=4 2654 B11R0.176 CCOC(=O)CNCC[C@@H](C)O 84bb1fed0add28b47c15f032556c1047 [0,1,0,0,0,0|3,0,0]=4 2655 B11R0.176 CCOC(=O)CNCC[C@H](C)O aa5de25fbf023820ef33b008e20907c8 [0,1,0,0,0,0|3,0,0]=4 2656 B11R0.176 CCOC(=O)COCCC(C)C b1594b7f7bda34bad84bf73b0d0f32ac [0,1,0,0,0,0|3,0,0]=4 2657 B11R0.176 CCOC(=O)OCNCC(=O)C aadadd5282ee4aceeed0b1c1468c7ade [0,1,0,0,0,0|2,0,1]=4 2658 B11R0.176 CCOC(=O)OCNCC(C)C 8c356e5dd45ce378fe908df17b85d739 [0,1,0,0,0,0|2,0,0]=3 2659 B11R0.176 CCOC(=O)OCNCC(C)O 09011b8bef3a9755ac372072bc1850d3 [0,1,0,0,0,0|2,0,0]=3 2660 B11R0.176 CCOC(=O)OCNCC(F)F 7de5a5ed4496738f74ae29415e824cf7 [0,1,0,0,0,0|3,0,0]=4 2661 B11R0.176 CCOC(=O)OCNC[C@@H](C)O 2e09fac9a4e9b7d703c54cac998b041e [0,1,0,0,0,0|2,0,0]=3 2662 B11R0.176 CCOC(=O)OCNC[C@H](C)O 4764ccef395c42f38c313068eeab95c4 [0,1,0,0,0,0|2,0,0]=3 2663 B11R0.176 CCOC(=O)OCOCC(=O)C a7e01b64d2905b21ef89a2dc11490eca [0,1,0,0,0,0|2,0,1]=4 2664 B11R0.176 CCOC(=O)OCOCC(C)C 3e65591b873df01a101913fdc1293ad3 [0,1,0,0,0,0|2,0,0]=3 2665 B11R0.176 CCOC(=O)OCOCC(C)F 0c108318fe1898b2903d3e64042a01c3 [0,1,0,0,0,0|2,0,0]=3 2666 B11R0.176 CCOC(=O)OCOCC(C)S 13a284f9f3946d600a61d3d5ac6840f9 [0,1,0,0,0,0|2,0,0]=3 2667 B11R0.176 CCOC(=O)OCOCC(F)F 82317577a2448a66fa6f4b6f2c68b23b [0,1,0,0,0,0|3,0,0]=4 2668 B11R0.176 CCOC(=O)OCOC[C@@H](C)F 3d1ac69c08e8ec9dc3f496d02db9a989 [0,1,0,0,0,0|2,0,0]=3 2669 B11R0.176 CCOC(=O)OCOC[C@H](C)F d6a41087226e1fc08061b5fe7b3c5c70 [0,1,0,0,0,0|2,0,0]=3 2670 B11R0.176 CCSC(=O)OCNCC(=O)C 5fe33686118c30462487f997981af2ad [0,1,0,0,0,0|2,0,1]=4 2671 B11R0.176 CCSC(=O)OCNCC(C)C bad2c47562f870b1f54be17e6f43cb94 [0,1,0,0,0,0|2,0,0]=3 2672 B11R0.176 CCSC(=O)OCNCC(C)O 8ffd02c032bfa69db71089baf4bae9ac [0,1,0,0,0,0|2,0,0]=3 2673 B11R0.176 CCSC(=O)OCNCC(F)F 5a8e67b81eba4b9a25cdba255ba48f3e [0,1,0,0,0,0|3,0,0]=4 2674 B11R0.176 CCSC(=O)OCNC[C@@H](C)O 0fa0160e4f062e0f114d3f0483ba0cf8 [0,1,0,0,0,0|2,0,0]=3 2675 B11R0.176 CCSC(=O)OCNC[C@H](C)O 5aadb4bbf74d34fe17e36e33580fa3fd [0,1,0,0,0,0|2,0,0]=3 2676 B11R0.176 CCSC(=O)OCOCC(=O)C ebf1b15e09895bebcd1fe92b1c335d20 [0,1,0,0,0,0|2,0,1]=4 2677 B11R0.176 CCSC(=O)OCOCC(C)C e69f5a2ab33439bafe404f67eb93b86a [0,1,0,0,0,0|2,0,0]=3 2678 B11R0.176 CCSC(=O)OCOCC(C)F aae8bd1b55f518225401946075c9481a [0,1,0,0,0,0|2,0,0]=3 2679 B11R0.176 CCSC(=O)OCOCC(C)S d24bb0a1f1d6aa2cf32587c78736a429 [0,1,0,0,0,0|2,0,0]=3 2680 B11R0.176 CCSC(=O)OCOCC(F)F 9b7acdb1c8984823d92ef01ed532b2af [0,1,0,0,0,0|3,0,0]=4 2681 B11R0.176 CCSC(=O)OCOC[C@@H](C)F 5a9b773f5eb716b377e9090de283e338 [0,1,0,0,0,0|2,0,0]=3 2682 B11R0.176 CCSC(=O)OCOC[C@H](C)F b04c7f8e3c10cb7070bd05281f10d796 [0,1,0,0,0,0|2,0,0]=3 2683 B11R0.176 CN(C)CCCNC(=O)CCF 7c7005dbe3b7e9ff39adef9581c028bc [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.176 CN(C)CCCNC(=O)CCO eb50bc8c04942a0f3d1aa8a87ffa547e [0,1,0,0,0,0|3,0,0]=4 2685 B11R0.176 CN(C)CCCNC(=O)CCS d8972f0a4af9794a83f81bcc10afb1b4 [0,1,0,0,0,0|3,0,0]=4 2686 B11R0.176 COCC(=O)CNCCC(C)C e3bc5b07cc1e7de2d0e2028ce201760a [0,1,0,0,0,0|3,0,0]=4 2687 B11R0.176 COCC(=O)CNCCC(C)O 6ff5e49e8efaeb4910d519fd67ae3b94 [0,1,0,0,0,0|3,0,0]=4 2688 B11R0.176 COCC(=O)CNCC[C@@H](C)O 9e89a7bb8a1bf4b2ea04ee5a8d208bae [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.176 COCC(=O)CNCC[C@H](C)O 6aeff9b18d1eba9f8145e78c0240a6f3 [0,1,0,0,0,0|3,0,0]=4 2690 B11R0.176 COCC(=O)COCCC(C)C 125b7cd292a5c827315afa4ac4d7ade3 [0,1,0,0,0,0|3,0,0]=4 2691 B11R0.176 COCC(=O)NCCCC(C)C 49137af88bbef6692207e2445a5b2868 [0,1,0,0,0,0|2,0,0]=3 2692 B11R0.176 COCC(=O)NCCCN(C)C c2aed22140e2b4b36f06728fad4c28d5 [0,1,0,0,0,0|3,0,0]=4 2693 B11R0.176 COCC(=O)NCCCS(=O)C 2686129966aa78ca74b9e43c3f3a657f [0,1,0,0,0,0|3,0,0]=4 2694 B11R0.176 COCC(=O)NCCOC(C)C 0fcea29ff630b18ac2d0fd3addff4b7c [0,1,0,0,0,0|3,0,0]=4 2695 B11R0.176 COCC(C)OCCCC(C)C 6cde69930856067e191de77a9c1379d4 [0,1,0,0,0,0|2,0,1]=4 2696 B11R0.176 COC[C@@H](C)OCCCC(C)C 9f422459cb133fe87c760e3d899e76c5 [0,1,0,0,0,0|2,0,1]=4 2697 B11R0.176 COC[C@H](C)OCCCC(C)C f6db9e1d68bca5b6c580f6e9994a5007 [0,1,0,0,0,0|2,0,1]=4 2698 B11R0.176 CS(=O)CCCNC(=O)CCF 35b04ca8778cdc15ecee57eaa23e3505 [0,1,0,0,0,0|3,0,0]=4 2699 B11R0.176 CS(=O)CCCNC(=O)CCO 74d7824b742ff811232c4b41dd5da3f2 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.176 CS(=O)CCCNC(=O)CCS b4b2d367c6fc21c6b28bdd521c8c640f [0,1,0,0,0,0|3,0,0]=4 2701 B11R0.176 CSCC(=O)NCCCC(C)C 0230d751d3287cc6d73dbba97df23bb3 [0,1,0,0,0,0|2,0,0]=3 2702 B11R0.176 CSCC(=O)NCCCN(C)C 8c3cba4e1fdc20235ec29ff2e68496ed [0,1,0,0,0,0|3,0,0]=4 2703 B11R0.176 CSCC(=O)NCCCS(=O)C 13fa67fa289b748827a74efed7b1218c [0,1,0,0,0,0|3,0,0]=4 2704 B11R0.176 CSCC(=O)NCCOC(C)C 405815c796d2370e7b23524533d7b890 [0,1,0,0,0,0|3,0,0]=4 2705 B11R0.176 CSCC(C)OCCCC(C)C dc8ddf62544f1c21365dadd6c65519b0 [0,1,0,0,0,0|2,0,1]=4 2706 B11R1.4 CCCCCNC1CCCC1 704136233a5fd94e3ce2802197e418fd [0,0,0,1,0,0|2,0,1]=4 2707 B11R1.4 CCCCCOC1C=CCC1 78fd44d64a16456a5b7d49fce9337d5f [0,0,0,1,0,0|1,0,2]=4 2708 B11R1.4 CCCCCOC1CCCC1 ea0afe80da6af9a482238c7c0011138f [0,0,0,1,0,0|1,0,1]=3 2709 B11R1.4 CCCCCOC1CCCO1 4fcbb7f6db51b6632373c914ef3e210b [0,0,0,1,0,0|0,0,2]=3 2710 B11R1.4 CCCCCOC1CCOC1 a481691c01c064fc349d31cd7d02f028 [0,0,0,1,0,0|2,0,1]=4 2711 B11R1.4 CCCCCOC1CCSC1 beb618e344203720611c0ba6a5d8b476 [0,0,0,1,0,0|2,0,1]=4 2712 B11R1.4 CCCCCO[C@@H]1CCOC1 250c8c5128f959c88b5a701436484e72 [0,0,0,1,0,0|2,0,1]=4 2713 B11R1.4 CCCCCO[C@@H]1CCSC1 3179356a6cb04b2497eab76e2a233e4f [0,0,0,1,0,0|2,0,1]=4 2714 B11R1.4 CCCCCO[C@H]1CCOC1 d31ef9bc1e251e348a5adf1d01ef7f22 [0,0,0,1,0,0|2,0,1]=4 2715 B11R1.4 CCCCCO[C@H]1CCSC1 2ab135c42ea8f412226ce69ccba1430e [0,0,0,1,0,0|2,0,1]=4 2716 B11R1.4 CCCOCC=C1CCCC1 911dd3e6adc1a244d1835ce8122dc14d [0,0,0,1,0,0|3,0,0]=4 2717 B11R1.4 CCNCCOC1CCCC1 31015dd28a95ca741ebad082f299e4a6 [0,0,0,1,0,0|2,0,1]=4 2718 B11R1.4 CCOCCOC1CCCC1 f95ff73046d9020ce92959aeee6f70dd [0,0,0,1,0,0|2,0,1]=4 2719 B11R1.4 CCOCCOC1CCCO1 b0ad09391e5328612b72dfdb37cec42d [0,0,0,1,0,0|1,0,2]=4 2720 B11R1.4 CCSCCOC1CCCC1 ba0e6e69ed54c21abeada9c7fabeb9b8 [0,0,0,1,0,0|2,0,1]=4 2721 B11R1.4 CCSCCOC1CCCO1 4a9929986a979c7643bb1f72c35f2070 [0,0,0,1,0,0|1,0,2]=4 2722 B11R1.4 COCCCOC1CCCC1 277e9ff2e33629ac3691c3f83a4f9f29 [0,0,0,1,0,0|2,0,1]=4 2723 B11R1.4 COCCCOC1CCCO1 0ec67a812c5a891bb3b3379d52715598 [0,0,0,1,0,0|1,0,2]=4 2724 B11R1.4 CSCCCOC1CCCC1 1a8e5007cad603a29e2e9f13bb042a9d [0,0,0,1,0,0|2,0,1]=4 2725 B11R1.4 CSCCCOC1CCCO1 685983b7138409ff49ba1f6cc03c20f4 [0,0,0,1,0,0|1,0,2]=4 2726 B11R1.4 FCCCCOC1CCCC1 8c406a6630e984b14e870de7c2077183 [0,0,0,1,0,0|2,0,1]=4 2727 B11R1.4 FCCCCOC1CCCO1 0b44e73fde881e17aaafab85f6a755f3 [0,0,0,1,0,0|1,0,2]=4 2728 B11R1.4 SCCCCOC1CCCC1 5b7b863374c6c9e0ba7ae40644fa5073 [0,0,0,1,0,0|2,0,1]=4 2729 B11R1.16 CCCC(=O)N1CC=CCC1 787b44301fda272a67fce7162c3e6048 [0,0,0,1,0,0|1,0,2]=4 2730 B11R1.16 CCCC(=O)N1CCCOC1 ec430687532180d82dc554432bc34e4e [0,0,0,1,0,0|2,0,0]=3 2731 B11R1.16 CCCC(=O)N1CCCSC1 4546a0e84c067d299c523d566e3c9375 [0,0,0,1,0,0|2,0,0]=3 2732 B11R1.16 CCCC(=O)N1CCOCC1 d2d1c1e937c47cbf76edf1360365ca7e [0,0,0,1,0,0|2,0,0]=3 2733 B11R1.16 CCCC(=O)N1CCSCC1 d071db11318b039576c8161f62ed50b9 [0,0,0,1,0,0|2,0,0]=3 2734 B11R1.16 CCCN(C)C1CCCCC1 dc9b450f6dc175a73509aa0b43ac0971 [0,0,0,1,0,0|3,0,0]=4 2735 B11R1.16 COCC(=O)N1CCCOC1 b2fe8a63e0dfe547103d30d4103865b1 [0,0,0,1,0,0|3,0,0]=4 2736 B11R1.16 COCC(=O)N1CCCSC1 d37ba463c188d597424c8b63291e1609 [0,0,0,1,0,0|3,0,0]=4 2737 B11R1.16 COCC(=O)N1CCOCC1 16f3ec79cabac3ceb520036824291f71 [0,0,0,1,0,0|3,0,0]=4 2738 B11R1.16 COCC(=O)N1CCSCC1 5296e0a2c3cfef99a388140d91601a33 [0,0,0,1,0,0|3,0,0]=4 2739 B11R1.16 CSCC(=O)N1CCCOC1 1d620d735acde82e414a896294337108 [0,0,0,1,0,0|3,0,0]=4 2740 B11R1.16 CSCC(=O)N1CCCSC1 424182bfdc5bc54ca41e38a67b08b6ce [0,0,0,1,0,0|3,0,0]=4 2741 B11R1.16 CSCC(=O)N1CCOCC1 7dfd9ede0a6a1496574cdb32d755dffc [0,0,0,1,0,0|3,0,0]=4 2742 B11R1.16 CSCC(=O)N1CCSCC1 cca1aa3e5d7bfba407af5caf042e9d8b [0,0,0,1,0,0|3,0,0]=4 2743 B11R1.16 O=C(CCF)N1CCCOC1 0f3ed4c06d2f32372602105d3224703a [0,0,0,1,0,0|3,0,0]=4 2744 B11R1.16 O=C(CCF)N1CCCSC1 b6837c2649162482300eb26e57e6235f [0,0,0,1,0,0|3,0,0]=4 2745 B11R1.16 O=C(CCF)N1CCOCC1 2622e40f66d222b156ac163959c96ca3 [0,0,0,1,0,0|3,0,0]=4 2746 B11R1.16 O=C(CCF)N1CCSCC1 820861a50598556ad83163f75b715bc1 [0,0,0,1,0,0|3,0,0]=4 2747 B11R1.16 O=C(CCO)N1CCCOC1 c8bf30690ac7be09f1e162afd0276b2d [0,0,0,1,0,0|3,0,0]=4 2748 B11R1.16 O=C(CCO)N1CCCSC1 26c556b93d263499491c1894495d62b0 [0,0,0,1,0,0|3,0,0]=4 2749 B11R1.16 O=C(CCO)N1CCOCC1 86f11fd30245a59ea2958c611be068c1 [0,0,0,1,0,0|3,0,0]=4 2750 B11R1.16 O=C(CCO)N1CCSCC1 d659aa2c896157b2b7e702ba9259ccbd [0,0,0,1,0,0|3,0,0]=4 2751 B11R1.16 O=C(CCS)N1CCCOC1 a8fa9d0f3478cfd628897818830458b1 [0,0,0,1,0,0|3,0,0]=4 2752 B11R1.16 O=C(CCS)N1CCCSC1 6bcf132e4222e1b1143235269414094b [0,0,0,1,0,0|3,0,0]=4 2753 B11R1.16 O=C(CCS)N1CCOCC1 b5027cc7dcd1d0e3897a2abea3bd05d3 [0,0,0,1,0,0|3,0,0]=4 2754 B11R1.16 O=C(CCS)N1CCSCC1 23c5488895436b7109fec98a44cf4b40 [0,0,0,1,0,0|3,0,0]=4 2755 B11R1.24 CCCCN1CCCC(=O)C1 ab5d5aa4c692d5c921210400e463a35c [0,0,0,1,0,0|2,0,0]=3 2756 B11R1.24 CCCCN1CCNC(=O)C1 c67c01d1a07bdda5d18b7096d1b290cd [0,0,0,1,0,0|3,0,0]=4 2757 B11R1.24 CCCCN1CCOC(=O)C1 3f4af70ed351ba7dae5c4daa38dbbec5 [0,0,0,1,0,0|3,0,0]=4 2758 B11R1.24 CCCNC1CCCC(=O)C1 f78a901451b50e451bf018305d12a0cc [0,0,0,1,0,0|2,0,0]=3 2759 B11R1.24 CCCNC1CCNC(=O)C1 ff447769b3400ca9cfacfb0d558a8376 [0,0,0,1,0,0|3,0,0]=4 2760 B11R1.24 CCCN[C@@H]1CCNC(=O)C1 aa286dce50ef181bcbf1d9471bf48bde [0,0,0,1,0,0|3,0,0]=4 2761 B11R1.24 CCCN[C@H]1CCNC(=O)C1 5f93ac4d81551bd3f26157e304a8d35a [0,0,0,1,0,0|3,0,0]=4 2762 B11R1.24 CCCOC1C=C(CCC1)C 6dce11d0f49296f7fa9063d6a455adc2 [0,0,0,1,0,0|3,0,0]=4 2763 B11R1.24 CCCOC1CCCC(=O)C1 3a62b9596446c853f594c7714567c6fa [0,0,0,1,0,0|2,0,0]=3 2764 B11R1.24 CCCOC1CCNC(=O)C1 65105623f5191c21e4a7be8acdaca72e [0,0,0,1,0,0|3,0,0]=4 2765 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 5bf264179db23a8df067b0bd13e7f763 [0,0,0,1,0,0|3,0,0]=4 2766 B11R1.24 CCCO[C@H]1CCNC(=O)C1 60cfa443462ad68a1346c33be32ed63f [0,0,0,1,0,0|3,0,0]=4 2767 B11R1.24 CCNCC1CCCC(=O)N1 245951673b534df0bf27d890092fcdeb [0,0,0,1,0,0|2,0,0]=3 2768 B11R1.24 CCNCC1CCNC(=O)C1 c3ba1d2c37b362a2a269506588505c2c [0,0,0,1,0,0|3,0,0]=4 2769 B11R1.24 CCOCC1CCCC(=O)C1 59f3485ad485a6e1d97c966f04f592f9 [0,0,0,1,0,0|2,0,0]=3 2770 B11R1.24 CCOCC1CCCC(=O)N1 ae7b22866fb52b162e0bd2153c57f3fa [0,0,0,1,0,0|2,0,0]=3 2771 B11R1.24 CCOCC1CCNC(=O)C1 dfdbdc0d66883705877010ad07aa3ee3 [0,0,0,1,0,0|3,0,0]=4 2772 B11R1.24 CCOCC1COCC(=O)N1 36f45df23f7e834d02e2c23cc48318bd [0,0,0,1,0,0|3,0,0]=4 2773 B11R1.24 CCOCN1CCCC(=O)C1 67340f90abd6e7e3540fa8a66f5619c6 [0,0,0,1,0,0|3,0,0]=4 2774 B11R1.24 CCOC[C@@H]1CCCC(=O)N1 e702e00726367338ffd611c3a76033db [0,0,0,1,0,0|2,0,0]=3 2775 B11R1.24 CCOC[C@@H]1COCC(=O)N1 f46a3f179ac96b4a113c530e158c537e [0,0,0,1,0,0|3,0,0]=4 2776 B11R1.24 CCOC[C@H]1CCCC(=O)N1 aad994c462d12f350a0479fdd23025c1 [0,0,0,1,0,0|2,0,0]=3 2777 B11R1.24 CCOC[C@H]1COCC(=O)N1 ac8f292b8927597e85f58a6fbf709ea8 [0,0,0,1,0,0|3,0,0]=4 2778 B11R1.24 COCCN1CCCC(=O)C1 527a8c86725352137b2341559fe7f2dd [0,0,0,1,0,0|3,0,0]=4 2779 B11R1.24 COCOC1CCCC(=O)C1 f76735a0929d686795f1aa3f5f2f0167 [0,0,0,1,0,0|3,0,0]=4 2780 B11R1.24 CSCCN1CCCC(=O)C1 c4813bf7b71fb0a99baee0da0e4bc718 [0,0,0,1,0,0|3,0,0]=4 2781 B11R1.24 CSCOC1CCCC(=O)C1 4042f0cd5c9b2d5f415ee6628ac15295 [0,0,0,1,0,0|3,0,0]=4 2782 B11R1.24 O=C1CCCC(C1)COCF 11cafa08057b406bf6693799f7f4707d [0,0,0,1,0,0|3,0,0]=4 2783 B11R1.24 O=C1CCCC(C1)NCCBr f138dadc821c48e193c3577f29a08fe7 [0,0,0,1,0,0|3,0,0]=4 2784 B11R1.24 O=C1CCCC(C1)NCCF 5de2cc1db08490251cc8d4a2a5b6bd70 [0,0,0,1,0,0|3,0,0]=4 2785 B11R1.24 O=C1CCCC(C1)NCCI 63e170c3d3eb83f83e779f95ae1c7eee [0,0,0,1,0,0|3,0,0]=4 2786 B11R1.24 O=C1CCCC(C1)NCCO d99d47cab45c27d8095c6db03bb9e2ef [0,0,0,1,0,0|3,0,0]=4 2787 B11R1.24 O=C1CCCC(C1)NCCS 6a6636e940a94c28e7403354d5b17ebf [0,0,0,1,0,0|3,0,0]=4 2788 B11R1.24 O=C1CCCC(C1)OCCF 7d9b97cf25a585eeaeaeb9cf225eb6fe [0,0,0,1,0,0|3,0,0]=4 2789 B11R1.24 O=C1CCCC(C1)OCCS 24c64eb171cd6b0d2d85cd0c6615fda5 [0,0,0,1,0,0|3,0,0]=4 2790 B11R1.24 O=C1CCCC(N1)CNCF 36a243adba201cde5bf9ada0c28d7b92 [0,0,0,1,0,0|3,0,0]=4 2791 B11R1.24 O=C1CCCC(N1)CNCO 3feaf6e4e0063eec07929d85c7e21b51 [0,0,0,1,0,0|3,0,0]=4 2792 B11R1.24 O=C1CCCC(N1)COCF a68084eb1fecdb2991e94a617f5982f1 [0,0,0,1,0,0|3,0,0]=4 2793 B11R1.24 O=C1CCCN(C1)CCCF 3605742ddbee7daa92cb15a9b424be62 [0,0,0,1,0,0|3,0,0]=4 2794 B11R1.24 O=C1CCCN(C1)CCCO e7e21adb0f0315469f22431e1b72db87 [0,0,0,1,0,0|3,0,0]=4 2795 B11R1.24 O=C1CCCN(C1)CCCS f7933a56b28363f53c3289805c628664 [0,0,0,1,0,0|3,0,0]=4 2796 B11R1.24 O=C1CCC[C@@H](N1)COCF a15b232d0a26065ea3a1e9f205af1626 [0,0,0,1,0,0|3,0,0]=4 2797 B11R1.24 O=C1CCC[C@H](N1)COCF 7d27f75fa37870b29c495d34de259444 [0,0,0,1,0,0|3,0,0]=4 2798 B11R1.30 C#CCC(=O)NC1CCCC1 879e09a22c137b9b4b83b88730856082 [0,0,0,1,0,0|1,0,2]=4 2799 B11R1.30 C/C=C/C(=O)NC1CCCC1 730acf01714d209d241521c92a93697a [0,0,0,1,0,0|1,0,2]=4 2800 B11R1.30 C=CCC(=O)NC1CCCC1 42645ef797d712fcb7a77e0b7665713f [0,0,0,1,0,0|1,0,2]=4 2801 B11R1.30 CC#CC(=O)NC1CCCC1 0529973dc4bbfc909463ae0ac09d4dea [0,0,0,1,0,0|1,0,2]=4 2802 B11R1.30 CCCC(=O)CN1CCSC1 d666781cfb83921834024b60d35d4764 [0,0,0,1,0,0|3,0,0]=4 2803 B11R1.30 CCCC(=O)NC1CC=CC1 87e0e96ae3493d85942678b7131efa99 [0,0,0,1,0,0|1,0,2]=4 2804 B11R1.30 CCCC(=O)NC1CCCC1 da3e432756375bd4b968b22985d71611 [0,0,0,1,0,0|1,0,0]=2 2805 B11R1.30 CCCC(=O)NC1CCOC1 6d331d9781879e4b48434b0e8b576170 [0,0,0,1,0,0|2,0,0]=3 2806 B11R1.30 CCCC(=O)NC1CCSC1 2d25a963fd9d83516c8cac9edd96e4d8 [0,0,0,1,0,0|2,0,0]=3 2807 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 f49cb770913ed6e346c4aff217835a73 [0,0,0,1,0,0|2,0,0]=3 2808 B11R1.30 CCCC(=O)N[C@H]1CCOC1 385ec125cda2ad30eaa19ebd258dbb87 [0,0,0,1,0,0|2,0,0]=3 2809 B11R1.30 CCCC(=S)OC1CCCC1 3fd313e1df11825f4da5dd94540b07d3 [0,0,0,1,0,0|0,1,0]=2 2810 B11R1.30 CCCC(=S)OC1CCOC1 4eec54338eab2f8eb6a852d05c48767a [0,0,0,1,0,0|1,1,0]=3 2811 B11R1.30 CCCC(=S)O[C@@H]1CCOC1 ca7196059c240afe783d033ec46c6d9a [0,0,0,1,0,0|1,1,0]=3 2812 B11R1.30 CCCC(=S)O[C@H]1CCOC1 e9dd96c0f040e60cefa56cb3ba6a8e16 [0,0,0,1,0,0|1,1,0]=3 2813 B11R1.30 CCCC(C)NC1CCCC1 3354220bdbe783ff0b62fbb2dde3b742 [0,0,0,1,0,0|2,0,1]=4 2814 B11R1.30 CCCC(C)OC1CCCC1 74829b38cc4212c94f869733ee9ca792 [0,0,0,1,0,0|1,0,1]=3 2815 B11R1.30 CCCC(C)OC1CCCO1 b11ee6b066dce8185c90606abd02515f [0,0,0,1,0,0|2,0,1]=4 2816 B11R1.30 CCCC(C)OC1CCOC1 93e3d84744fe93a94d7e87076245fe5b [0,0,0,1,0,0|2,0,1]=4 2817 B11R1.30 CCCC(C)OC1CCSC1 dfe4fd73e4ba53b76f99ea7e8d8e778b [0,0,0,1,0,0|2,0,1]=4 2818 B11R1.30 CCCC(C)O[C@@H]1CCOC1 2f099851a11f7c5b295f153fccc8f449 [0,0,0,1,0,0|2,0,1]=4 2819 B11R1.30 CCCC(C)O[C@@H]1CCSC1 4932c31c3014fc731bc1c4522bbce15a [0,0,0,1,0,0|2,0,1]=4 2820 B11R1.30 CCCC(C)O[C@H]1CCOC1 f9e75635d6bf540cca74ac2910866536 [0,0,0,1,0,0|2,0,1]=4 2821 B11R1.30 CCCC(C)O[C@H]1CCSC1 acacbaa9b9451a90d695844246c8007e [0,0,0,1,0,0|2,0,1]=4 2822 B11R1.30 CCCN(C)CC1CCCC1 323070019a1116d31085b4a954c9d087 [0,0,0,1,0,0|3,0,0]=4 2823 B11R1.30 CCC[C@@H](C)OC1CCCC1 7696ffb726c8ebc9aa425bb1f2907f81 [0,0,0,1,0,0|1,0,1]=3 2824 B11R1.30 CCC[C@@H](C)OC1CCOC1 1151e8625a13136a63d16915bddc6b79 [0,0,0,1,0,0|2,0,1]=4 2825 B11R1.30 CCC[C@@H](C)O[C@@H]1CCOC1 56e2fd30a0db6400419318f1f1ee6e73 [0,0,0,1,0,0|2,0,1]=4 2826 B11R1.30 CCC[C@@H](C)O[C@H]1CCOC1 2d7c91ac5a4a7560981f85a454e6dc8b [0,0,0,1,0,0|2,0,1]=4 2827 B11R1.30 CCC[C@H](C)NC1CCCC1 13378e4c6eea9b3c66d134048b588af8 [0,0,0,1,0,0|2,0,1]=4 2828 B11R1.30 CCC[C@H](C)OC1CCCC1 6ed06a1466652ef732d27c0a6f69b351 [0,0,0,1,0,0|1,0,1]=3 2829 B11R1.30 CCC[C@H](C)OC1CCOC1 05fd6d82c5655d579919a66096c39842 [0,0,0,1,0,0|2,0,1]=4 2830 B11R1.30 CCC[C@H](C)O[C@@H]1CCOC1 6c5675ce95783a585d71eed4d65f5ef6 [0,0,0,1,0,0|2,0,1]=4 2831 B11R1.30 CCC[C@H](C)O[C@H]1CCOC1 f38091c745f297089c3fd129a647ca3e [0,0,0,1,0,0|2,0,1]=4 2832 B11R1.30 COCC(=O)NC1CCCC1 5835012e7a0751c1e9f4de34bde6fe10 [0,0,0,1,0,0|2,0,0]=3 2833 B11R1.30 COCC(=O)NC1CCOC1 6cfeaab7afafcee563b5ced7632204ba [0,0,0,1,0,0|3,0,0]=4 2834 B11R1.30 COCC(=O)NC1CCSC1 b3451958530db321a33ffdbf2e4a9d23 [0,0,0,1,0,0|3,0,0]=4 2835 B11R1.30 COCC(=O)N[C@@H]1CCOC1 9dca556a5652e47b9baa3c7dd646050b [0,0,0,1,0,0|3,0,0]=4 2836 B11R1.30 COCC(=O)N[C@H]1CCOC1 7b2f5eb84197c7ec26d36a51d0b16f72 [0,0,0,1,0,0|3,0,0]=4 2837 B11R1.30 COCC(C)OC1CCCC1 cf528d3cb2b850d425c7cafb205a203f [0,0,0,1,0,0|2,0,1]=4 2838 B11R1.30 COC[C@@H](C)OC1CCCC1 c6fc0d4cfb6632545c7cb978932174cf [0,0,0,1,0,0|2,0,1]=4 2839 B11R1.30 COC[C@H](C)OC1CCCC1 637ee589a9186926e4bb984968a11efc [0,0,0,1,0,0|2,0,1]=4 2840 B11R1.30 CSCC(=O)NC1CCCC1 28eabd4b7d70c5a5d8b2150e8b8acadc [0,0,0,1,0,0|2,0,0]=3 2841 B11R1.30 CSCC(=O)NC1CCOC1 e9146d1c235178322dbc5b5c92938fd0 [0,0,0,1,0,0|3,0,0]=4 2842 B11R1.30 CSCC(=O)NC1CCSC1 620fb79eb0fdda3470b726f6a535afe4 [0,0,0,1,0,0|3,0,0]=4 2843 B11R1.30 CSCC(=O)N[C@@H]1CCOC1 86dbf1aeb4c7b17b04d2106b95e7034f [0,0,0,1,0,0|3,0,0]=4 2844 B11R1.30 CSCC(=O)N[C@H]1CCOC1 21642dd67dd08f132de6b51869d95040 [0,0,0,1,0,0|3,0,0]=4 2845 B11R1.30 CSCC(C)OC1CCCC1 6f9c0a991a970785d42086b556498752 [0,0,0,1,0,0|2,0,1]=4 2846 B11R1.30 N#CCC(=O)NC1CCCC1 938276fa2434a774e6dd83eb11590e04 [0,0,0,1,0,0|2,0,1]=4 2847 B11R1.30 NOCC(=O)NC1CCCC1 f426c84ff0d9183889bbee00179d3068 [0,0,0,1,0,0|3,0,0]=4 2848 B11R1.30 O=C(CCF)NC1CCCC1 59a8dd2971ff27ece09890df755fe60f [0,0,0,1,0,0|2,0,0]=3 2849 B11R1.30 O=C(CCF)NC1CCOC1 414d53b7cd8df1209e9a0654260bfde0 [0,0,0,1,0,0|3,0,0]=4 2850 B11R1.30 O=C(CCF)NC1CCSC1 0823b13720d8669c929d5c504b129c13 [0,0,0,1,0,0|3,0,0]=4 2851 B11R1.30 O=C(CCF)N[C@@H]1CCOC1 0b9ca5e797c162a21abe5158227d5be9 [0,0,0,1,0,0|3,0,0]=4 2852 B11R1.30 O=C(CCF)N[C@H]1CCOC1 a254d5266c19144345bac76de42b3b36 [0,0,0,1,0,0|3,0,0]=4 2853 B11R1.30 O=C(CCO)NC1CCCC1 0b9dec26bcbc4d9b1821e86f8e5668f8 [0,0,0,1,0,0|2,0,0]=3 2854 B11R1.30 O=C(CCO)NC1CCSC1 439a7879c8f72f5ee17d0046405fe81b [0,0,0,1,0,0|3,0,0]=4 2855 B11R1.30 O=C(CCS)NC1CCCC1 172bb0491760dad3c5d40b3636f6dd47 [0,0,0,1,0,0|2,0,0]=3 2856 B11R1.30 O=C(CCS)NC1CCOC1 03a86f694edca9442e659444b6f5d489 [0,0,0,1,0,0|3,0,0]=4 2857 B11R1.30 O=C(CCS)NC1CCSC1 48df1061cbe28530bffa7ca1ba26473b [0,0,0,1,0,0|3,0,0]=4 2858 B11R1.30 O=C(CCS)N[C@@H]1CCOC1 4db3853cf6eaf16ed281f32a177e4512 [0,0,0,1,0,0|3,0,0]=4 2859 B11R1.30 O=C(CCS)N[C@H]1CCOC1 dbdf38003ebc3306f73b9f2419393836 [0,0,0,1,0,0|3,0,0]=4 2860 B11R1.30 O=CCC(=O)NC1CCCC1 eea62c1700369ae64f215664a4f074cd [0,0,0,1,0,0|2,0,1]=4 2861 B11R1.78 CC1CC(C1)OCCCCF 803503b17d4c131fd90a2d9d8dd59504 [0,0,0,1,0,0|2,0,1]=4 2862 B11R1.78 CCCCCOC1CC(C1)C feffc5ca8a4e0a842a51106c8a8f9124 [0,0,0,1,0,0|1,0,1]=3 2863 B11R1.78 CCCCCOC1CC(C1)F da07d1a41d21e6df5fab3c4c686ab290 [0,0,0,1,0,0|2,0,1]=4 2864 B11R1.78 CCCCCOC1CN(C1)C c3051cff86f9bc2706b96ca4286e6919 [0,0,0,1,0,0|2,0,1]=4 2865 B11R1.78 CCCCCO[C@H]1C[C@@H](C1)F f308b8172cae1ba5b7e57f6dc659aa97 [0,0,0,1,0,0|2,0,1]=4 2866 B11R1.78 CCCCCO[C@H]1C[C@H](C1)F 4a9d017cc087afcc74f07dac6c0ccd5c [0,0,0,1,0,0|2,0,1]=4 2867 B11R1.78 CCOCCOC1CC(C1)C 55eb178d467fdc1cd178f6aac1bbc5c7 [0,0,0,1,0,0|2,0,1]=4 2868 B11R1.78 CCSCCOC1CC(C1)C c891de460f91fc45dbaad0d7e1db2b17 [0,0,0,1,0,0|2,0,1]=4 2869 B11R1.78 COCCCOC1CC(C1)C 6556a0a2afc3688d647ccadd8a09f051 [0,0,0,1,0,0|2,0,1]=4 2870 B11R1.78 CSCCCOC1CC(C1)C dd0b02b4696d54576c9e082785cc5690 [0,0,0,1,0,0|2,0,1]=4 2871 B11R1.81 CC1CC(=O)CCC1OCF d917c16e0249ffcb4f9513960c0412b6 [0,0,0,1,0,0|3,0,0]=4 2872 B11R1.81 CCOC1CCC(=O)CC1C bbd05b28fe91bed54594e6c907dba246 [0,0,0,1,0,0|2,0,0]=3 2873 B11R1.81 CCOC1CCC(=O)NC1C af63b6d32a082765385d535da13c8b79 [0,0,0,1,0,0|3,0,0]=4 2874 B11R1.117 CCCN1CCCCCCC1 328dcd98ace70168763c8b5439e5b7fa [0,0,0,1,0,0|3,0,0]=4 2875 B11R1.127 CCCC1CCN(C1)CCC 95ef48d9e03e38a1751852d34b8a2ceb [0,0,0,1,0,0|3,0,0]=4 2876 B11R1.135 CCCN1CCCC(=O)CC1 5d78a27b1115d294c02accd204f79118 [0,0,0,1,0,0|2,0,0]=3 2877 B11R1.135 CCCN1CCNC(=O)CC1 48ce520870f98876c5e1e95b092620e1 [0,0,0,1,0,0|3,0,0]=4 2878 B11R1.135 CCOC1CCCC(=O)NC1 4189d64438fb7860c330be2892be390d [0,0,0,1,0,0|2,0,0]=3 2879 B11R1.135 COCN1CCCC(=O)CC1 ea3e86884637135ed0588affa1098e54 [0,0,0,1,0,0|3,0,0]=4 2880 B11R1.135 CSCN1CCCC(=O)CC1 6435d5f48c5cd7a65e342478e9fb4a7d [0,0,0,1,0,0|3,0,0]=4 2881 B11R1.135 O=C1CCCC(CN1)OCF fe725e56b9ad273454f644893f9d4141 [0,0,0,1,0,0|3,0,0]=4 2882 B11R1.135 O=C1CCCN(CC1)CCF 61d66a1a4f1d82669ade6697ca43e279 [0,0,0,1,0,0|3,0,0]=4 2883 B11R1.135 O=C1CCCN(CC1)CCO b4a404177f191c32df318444d301e880 [0,0,0,1,0,0|3,0,0]=4 2884 B11R1.135 O=C1CCCN(CC1)CCS e1272476299b4b5b95ae91e5c326b396 [0,0,0,1,0,0|3,0,0]=4 2885 B11R1.180 CCCCCN1CCCC1C 07fc8cec62763b016fc411bb35abd56c [0,0,0,1,0,0|2,0,1]=4 2886 B11R1.180 CCCCCN1CCCC1O c398c8293942e8b6d8331839eac42dcd [0,0,0,1,0,0|1,0,2]=4 2887 B11R1.180 CCCCCN1CCC[C@@H]1C db1500b86215c83121a9d926faa49684 [0,0,0,1,0,0|2,0,1]=4 2888 B11R1.180 CCCCCN1CCC[C@H]1C 1fbacd4c0d5aee021f8867b6cfe55a36 [0,0,0,1,0,0|2,0,1]=4 2889 B11R1.180 CCCCNC1CCCC1=O 39f9ee5b59b883e97393975a970e10d4 [0,0,0,1,0,0|2,0,0]=3 2890 B11R1.180 CCCCNC1CCNC1=O 186446e8bc07c208cf0e9b58e44f01e8 [0,0,0,1,0,0|3,0,0]=4 2891 B11R1.180 CCCCNC1CCSC1=O 02e0fc8efcfe3b3711a069b87645d9fa [0,0,0,1,0,0|3,0,0]=4 2892 B11R1.180 CCCCN[C@@H]1CCNC1=O 6e0f44241d58997cb1c6d0051eab8a32 [0,0,0,1,0,0|3,0,0]=4 2893 B11R1.180 CCCCN[C@@H]1CCOC1=O ed0730bf918a90319664293109727836 [0,0,0,1,0,0|3,0,0]=4 2894 B11R1.180 CCCCN[C@H]1CCNC1=O 66b10e76c34af5d0dab45f88e932d111 [0,0,0,1,0,0|3,0,0]=4 2895 B11R1.180 CCCCN[C@H]1CCOC1=O bc1ff4fc4b1cbd2b8e734ea1a24a3145 [0,0,0,1,0,0|3,0,0]=4 2896 B11R1.180 CCCCOC1=CCCC1=O 6b420cb525b655e18770337b40a14027 [0,0,0,1,0,0|2,0,1]=4 2897 B11R1.180 CCCCOC1CCCC1=O daa71a749c8ab0736df54ca1e1a12aa6 [0,0,0,1,0,0|2,0,0]=3 2898 B11R1.180 CCCCOC1CCNC1=O 7b231c5ea57dcbc2aa7adddae086cda9 [0,0,0,1,0,0|3,0,0]=4 2899 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [0,0,0,1,0,0|3,0,0]=4 2900 B11R1.180 CCCCO[C@@H]1CCNC1=O cb2fa50a05ea794d6edb8e207c80ecd5 [0,0,0,1,0,0|3,0,0]=4 2901 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [0,0,0,1,0,0|3,0,0]=4 2902 B11R1.180 CCCCO[C@H]1CCNC1=O 8cbf41402c4456eeb8d0823b203c93b8 [0,0,0,1,0,0|3,0,0]=4 2903 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [0,0,0,1,0,0|3,0,0]=4 2904 B11R1.180 CCCNCC1CCNC1=O 6f43743b2b4651249ecb698013e60338 [0,0,0,1,0,0|3,0,0]=4 2905 B11R1.180 CCCNCN1CCCC1=O 91887f1bd955350d83fb5cbd80ecb1f5 [0,0,0,1,0,0|2,0,0]=3 2906 B11R1.180 CCCOCC1=CCCC1=O 08399b9b19d3cb72be765f40d7a631c2 [0,0,0,1,0,0|2,0,1]=4 2907 B11R1.180 CCCOCC1CCCC1=O 38a6f11d54d34dd53e14f1182522173f [0,0,0,1,0,0|2,0,0]=3 2908 B11R1.180 CCCOCC1CCNC1=O a7890dcd6183c9752ec22ee8c72e0b2a [0,0,0,1,0,0|3,0,0]=4 2909 B11R1.180 CCCOCN1CCCC1=O f219657cc4d06050eaec73ad23ed676b [0,0,0,1,0,0|2,0,0]=3 2910 B11R1.180 CCNCCN1CCCC1=O 36a7b721f69f8b18b7bc5858c5b90e81 [0,0,0,1,0,0|2,0,0]=3 2911 B11R1.180 CCNCCN1CCNC1=O 48c0a96704ffc8cbadc09dd83f57f076 [0,0,0,1,0,0|3,0,0]=4 2912 B11R1.180 CCOCCC1CCNC1=O 691ba5da473129ccf331160f91db89fc [0,0,0,1,0,0|3,0,0]=4 2913 B11R1.180 CCOCCN1CCCC1=O eec83e50d5d1cf07c9841640aebd1ba4 [0,0,0,1,0,0|2,0,0]=3 2914 B11R1.180 CCOCCN1CCNC1=O eb06045ce2e70e0a62149e599abeb3cc [0,0,0,1,0,0|3,0,0]=4 2915 B11R1.180 COCCNC1CCCC1=O e3affe8a2fb4830ec43073ed366123f7 [0,0,0,1,0,0|3,0,0]=4 2916 B11R1.180 COCCOC1CCCC1=O 64d6773d3f7f907b500ddffb29b8e5c9 [0,0,0,1,0,0|3,0,0]=4 2917 B11R1.180 COCOCC1CCCC1=O 99747fc986fb155c7c97d45d40f3a523 [0,0,0,1,0,0|3,0,0]=4 2918 B11R1.180 COCOCN1CCCC1=O d0ed769b32cbee31d8763c4d76b36b49 [0,0,0,1,0,0|3,0,0]=4 2919 B11R1.180 CSCCNC1CCCC1=O 1a918986e443973b93dcff5ab8488238 [0,0,0,1,0,0|3,0,0]=4 2920 B11R1.180 CSCCOC1CCCC1=O 3cf11c06e2768f681e866c19a4bfc663 [0,0,0,1,0,0|3,0,0]=4 2921 B11R1.180 CSCOCC1CCCC1=O 283bbcbffcad0dc5983c554947b2b571 [0,0,0,1,0,0|3,0,0]=4 2922 B11R1.180 CSCOCN1CCCC1=O 25b94ae9fbb8123db6fc139924e37169 [0,0,0,1,0,0|3,0,0]=4 2923 B11R1.180 O=C1CCCC1COCCF 83d5df4865750a49009feacdd6fce70e [0,0,0,1,0,0|3,0,0]=4 2924 B11R1.180 O=C1CCCC1COCCS ce0277165bc2576a887b2890f98c1bf3 [0,0,0,1,0,0|3,0,0]=4 2925 B11R1.180 O=C1CCCC1NCCCCl 0d7b77a3647043b5308b9e03b03208f4 [0,0,0,1,0,0|3,0,0]=4 2926 B11R1.180 O=C1CCCC1NCCCO 8deb1c83ab53c1e6f1beb704839da63c [0,0,0,1,0,0|3,0,0]=4 2927 B11R1.180 O=C1CCCC1OCCCF 0cb91a01e38d73789f9e0851f5649a66 [0,0,0,1,0,0|3,0,0]=4 2928 B11R1.180 O=C1CCCC1OCCCS 5063541bc88a8e8fb7070e9c4a3cf1f4 [0,0,0,1,0,0|3,0,0]=4 2929 B11R1.180 O=C1CCCN1CCNCF b1a3101e8fe931d8015ff6fdaa7f35b8 [0,0,0,1,0,0|3,0,0]=4 2930 B11R1.180 O=C1CCCN1CCNCO b6e4ec7e13492967988e1dd60fe6ddca [0,0,0,1,0,0|3,0,0]=4 2931 B11R1.180 O=C1CCCN1CCOCF a10081b916b9c24a9eba3625af868f26 [0,0,0,1,0,0|3,0,0]=4 2932 B11R1.180 O=C1CCCN1CNCCBr 8040bd0971b52fbf4dd405a3cfea4224 [0,0,0,1,0,0|3,0,0]=4 2933 B11R1.180 O=C1CCCN1CNCCF f1f7d85ddf7aed67981ac06ee46ac650 [0,0,0,1,0,0|3,0,0]=4 2934 B11R1.180 O=C1CCCN1CNCCI 1453a4f43c555f99b465f0d697b1c857 [0,0,0,1,0,0|3,0,0]=4 2935 B11R1.180 O=C1CCCN1CNCCO 492e9785d4ae0485161818c344d4d968 [0,0,0,1,0,0|3,0,0]=4 2936 B11R1.180 O=C1CCCN1CNCCS 1b1754f46f85327cf08baf628fdba501 [0,0,0,1,0,0|3,0,0]=4 2937 B11R1.180 O=C1CCCN1COCCF c2ae3de295f85457b6b1e78d88d33db6 [0,0,0,1,0,0|3,0,0]=4 2938 B11R1.180 O=C1CCCN1COCCS be3c67caa637b98d5d1cb379db3c5b4e [0,0,0,1,0,0|3,0,0]=4 2939 B11R1.189 CCCN1CCCC(C1)CC 7000f55ce558ff303a5b7d907381fc87 [0,0,0,1,0,0|3,0,0]=4 2940 B11R1.199 C#CCC(=O)N1CCCC1C 01aaf2dc2d6ee4e40aa100df7b72f736 [0,0,0,1,0,0|1,0,2]=4 2941 B11R1.199 C#CCC(=O)N1CCC[C@@H]1C 13c70e38bd2b8d3b97552ce08dcb3527 [0,0,0,1,0,0|1,0,2]=4 2942 B11R1.199 C#CCC(=O)N1CCC[C@H]1C 9aaf9f155de54e424cec0850e97ac3db [0,0,0,1,0,0|1,0,2]=4 2943 B11R1.199 C/C=C/C(=O)N1CCCC1C 80c8355177a0edac1502b984cd33f563 [0,0,0,1,0,0|1,0,2]=4 2944 B11R1.199 C/C=C/C(=O)N1CCC[C@@H]1C c61613f679cd7b8b3b80248d5cbc714d [0,0,0,1,0,0|1,0,2]=4 2945 B11R1.199 C/C=C/C(=O)N1CCC[C@H]1C 5bbaf813896de7bda2b6d8b8d0c7eaeb [0,0,0,1,0,0|1,0,2]=4 2946 B11R1.199 C=CCC(=O)N1CCCC1C 0fcea78129c65598fb02bbc164277128 [0,0,0,1,0,0|1,0,2]=4 2947 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C ac204baaf5043d2fadc14026e8d7ebb4 [0,0,0,1,0,0|1,0,2]=4 2948 B11R1.199 C=CCC(=O)N1CCC[C@H]1C c9a87c0b5a927b03e271f3d702d90cbe [0,0,0,1,0,0|1,0,2]=4 2949 B11R1.199 CC#CC(=O)N1CCCC1C ae1292166206e951f70ed8ec60b62486 [0,0,0,1,0,0|1,0,2]=4 2950 B11R1.199 CC#CC(=O)N1CCC[C@@H]1C 4c18634fd53e49bb0e96b7cdc222149d [0,0,0,1,0,0|1,0,2]=4 2951 B11R1.199 CC#CC(=O)N1CCC[C@H]1C b71b863c42fe72131f615f1f0f920789 [0,0,0,1,0,0|1,0,2]=4 2952 B11R1.199 CC1CCCN1C(=O)CC#N d8bfb963b2cb16789a1f8f5f030a125e [0,0,0,1,0,0|2,0,1]=4 2953 B11R1.199 CC1CCCN1C(=O)CC=O 6a3d14d353699c58bc59c2dd9a44fadc [0,0,0,1,0,0|2,0,1]=4 2954 B11R1.199 CC1CCCN1C(=O)CCF 5da16c66b5e991e11d9fd23d9df0e092 [0,0,0,1,0,0|2,0,0]=3 2955 B11R1.199 CC1CCCN1C(=O)CCO 69308c7ab0755ea5dbf3dceae75d4ebf [0,0,0,1,0,0|2,0,0]=3 2956 B11R1.199 CC1CCCN1C(=O)CCS 307289f79a5a6d43807549d51e8fb533 [0,0,0,1,0,0|2,0,0]=3 2957 B11R1.199 CC1CCCN1C(=O)CON 0357e0d290de9f48b57275c75a3b8d27 [0,0,0,1,0,0|3,0,0]=4 2958 B11R1.199 CC1SCCN1C(=O)CCF 6b1a1f743c8d8fd5f6ac11514cd1eb33 [0,0,0,1,0,0|3,0,0]=4 2959 B11R1.199 CC1SCCN1C(=O)CCO 9aa663f66c7e89229dbd80d2ac7b4a0a [0,0,0,1,0,0|3,0,0]=4 2960 B11R1.199 CC1SCCN1C(=O)CCS 66ab17ea11728c0dfc44e8ea1371c97e [0,0,0,1,0,0|3,0,0]=4 2961 B11R1.199 CCCC(=O)N1CCCC1C 8c24dc4b9058c88c58f6be94f5bfa8dc [0,0,0,1,0,0|1,0,0]=2 2962 B11R1.199 CCCC(=O)N1CCCC1O f798f8b171a5ce26ee955f43ee4bb5a1 [0,0,0,1,0,0|2,0,0]=3 2963 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 87bbbddbc09dd6f86d6c8e25df54a80d [0,0,0,1,0,0|1,0,0]=2 2964 B11R1.199 CCCC(=O)N1CCC[C@H]1C 1bc4022f596909465ba443478f45a3f5 [0,0,0,1,0,0|1,0,0]=2 2965 B11R1.199 CCCC(=O)N1CCSC1C f5421b9567498e6bfdf6930e25bd26df [0,0,0,1,0,0|2,0,0]=3 2966 B11R1.199 CCCC(C)N1CCCC1C 6390c17b79f311c7368ff7fe72b4d01a [0,0,0,1,0,0|2,0,1]=4 2967 B11R1.199 CCCC(C)N1CCC[C@@H]1C 9827d5f1cf8d4ea87eda46e7f38c4c48 [0,0,0,1,0,0|2,0,1]=4 2968 B11R1.199 CCCC(C)N1CCC[C@H]1C 9ad5a20d2e589a330a50a8ed41e838cb [0,0,0,1,0,0|2,0,1]=4 2969 B11R1.199 COCC(=O)N1CCCC1C e20c95f110b32cec2ac5aa22ad780973 [0,0,0,1,0,0|2,0,0]=3 2970 B11R1.199 COCC(=O)N1CCCC1O 1726ca7f02c38220e9d4a93b6984f466 [0,0,0,1,0,0|3,0,0]=4 2971 B11R1.199 COCC(=O)N1CCC[C@@H]1C 656c04ef41bb4f3e171d00cb0a37850c [0,0,0,1,0,0|2,0,0]=3 2972 B11R1.199 COCC(=O)N1CCC[C@H]1C 42efaa660a0b7c28f47089e88ed8b467 [0,0,0,1,0,0|2,0,0]=3 2973 B11R1.199 COCC(=O)N1CCSC1C cdd3fe4673e58b7a1aadb488e8974a45 [0,0,0,1,0,0|3,0,0]=4 2974 B11R1.199 CSCC(=O)N1CCCC1C 6e82204c0631ef6055f59888fd6d759e [0,0,0,1,0,0|2,0,0]=3 2975 B11R1.199 CSCC(=O)N1CCCC1O 6205f23b6e5ce23fd09a7327badc7442 [0,0,0,1,0,0|3,0,0]=4 2976 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 46f8060b4a0e39c53c79568d06366c23 [0,0,0,1,0,0|2,0,0]=3 2977 B11R1.199 CSCC(=O)N1CCC[C@H]1C dd48c89c63f994acfe4aeb382f2aea03 [0,0,0,1,0,0|2,0,0]=3 2978 B11R1.199 CSCC(=O)N1CCSC1C 12fe40bbd99225a8471b844ee8f83872 [0,0,0,1,0,0|3,0,0]=4 2979 B11R1.199 C[C@@H]1CCCN1C(=O)CC#N 959b786472a0aa6de2279af2d9f98106 [0,0,0,1,0,0|2,0,1]=4 2980 B11R1.199 C[C@@H]1CCCN1C(=O)CC=O 4498a1c6568244052e557270abfc560c [0,0,0,1,0,0|2,0,1]=4 2981 B11R1.199 C[C@@H]1CCCN1C(=O)CCF 87cc3653a38bebb12f225251d74a4a85 [0,0,0,1,0,0|2,0,0]=3 2982 B11R1.199 C[C@@H]1CCCN1C(=O)CCO f06c6c274b60dc86e0540f1b430e334c [0,0,0,1,0,0|2,0,0]=3 2983 B11R1.199 C[C@@H]1CCCN1C(=O)CCS 705dc4d13766ae0d75f10a458266515c [0,0,0,1,0,0|2,0,0]=3 2984 B11R1.199 C[C@@H]1CCCN1C(=O)CON 774cbcb3d85dce86d2bfd6c66b3a3a53 [0,0,0,1,0,0|3,0,0]=4 2985 B11R1.199 C[C@H]1CCCN1C(=O)CC#N e8d5cc88df6f8471604633ce17fed998 [0,0,0,1,0,0|2,0,1]=4 2986 B11R1.199 C[C@H]1CCCN1C(=O)CC=O 1defce563141885e52440a8316c6305b [0,0,0,1,0,0|2,0,1]=4 2987 B11R1.199 C[C@H]1CCCN1C(=O)CCF 216ee158aebd20065a356d1c1d242ea9 [0,0,0,1,0,0|2,0,0]=3 2988 B11R1.199 C[C@H]1CCCN1C(=O)CCO f759277c1380bf9958a0f034c75a9bbe [0,0,0,1,0,0|2,0,0]=3 2989 B11R1.199 C[C@H]1CCCN1C(=O)CCS c472e58e8953583b4d05e6b8b3a47641 [0,0,0,1,0,0|2,0,0]=3 2990 B11R1.199 C[C@H]1CCCN1C(=O)CON 54facd517056e41016477e5992ee9a0f [0,0,0,1,0,0|3,0,0]=4 2991 B11R1.199 O=C(CCF)N1CCCC1O 2d5ee5d530e3433530f1a75b891add08 [0,0,0,1,0,0|3,0,0]=4 2992 B11R1.199 O=C(CCO)N1CCCC1O 1980234d1af0e24c8ff7cd4e652e5051 [0,0,0,1,0,0|3,0,0]=4 2993 B11R1.199 O=C(CCS)N1CCCC1O d30a2d9aa5ee124d3aa564beb7abf8af [0,0,0,1,0,0|3,0,0]=4 2994 B11R1.200 C#CCC(=O)N1CCC1CC aeb737e6c1bb8ade106b6f946fac2423 [0,0,0,1,0,0|1,0,2]=4 2995 B11R1.200 C/C=C/C(=O)N1CCC1CC 3316353418aac7c6724698443d1a5fa8 [0,0,0,1,0,0|1,0,2]=4 2996 B11R1.200 C=CCC(=O)N1CCC1CC faab46df49d38106ba2a76cd0971605f [0,0,0,1,0,0|1,0,2]=4 2997 B11R1.200 CC#CC(=O)N1CCC1CC 171d62b603a129ea9cb4870eba2d1194 [0,0,0,1,0,0|1,0,2]=4 2998 B11R1.200 CCC1CCN1C(=O)CC#N 2522f08f25fad2a938eeaf580f552e9a [0,0,0,1,0,0|2,0,1]=4 2999 B11R1.200 CCC1CCN1C(=O)CC=O 219faa53dd8a9daf5772dbbb59ddb097 [0,0,0,1,0,0|2,0,1]=4 3000 B11R1.200 CCC1CCN1C(=O)CCF 09527cdc2846ac01d9d3ee834d4ae948 [0,0,0,1,0,0|2,0,0]=3 3001 B11R1.200 CCC1CCN1C(=O)CCO 07ef660bed64c56329fedc7ef04e5b98 [0,0,0,1,0,0|2,0,0]=3 3002 B11R1.200 CCC1CCN1C(=O)CCS 775ed7aee33ae2433276906f80ee815b [0,0,0,1,0,0|2,0,0]=3 3003 B11R1.200 CCC1CCN1C(=O)COC 0c4afe18effca646eec930ac48e95601 [0,0,0,1,0,0|2,0,0]=3 3004 B11R1.200 CCC1CCN1C(=O)CON f9a349e18ec7888fb77c6248c3165e87 [0,0,0,1,0,0|3,0,0]=4 3005 B11R1.200 CCC1CCN1C(=O)CSC eaa999d4dc1cdedd52214e8fb21d26db [0,0,0,1,0,0|2,0,0]=3 3006 B11R1.200 CCCC(=O)N1CCC1CC 1463a3076dd4a4f8cdaa143f1b5367da [0,0,0,1,0,0|1,0,0]=2 3007 B11R1.200 CCCC(=O)N1CCC1CO 14ee830ba94efa17ec17f5d2462431d2 [0,0,0,1,0,0|2,0,0]=3 3008 B11R1.200 CCCC(=O)N1CC[C@@H]1CO 72a493cad1778ecc4f87be508c5dbdd3 [0,0,0,1,0,0|2,0,0]=3 3009 B11R1.200 CCCC(=O)N1CC[C@H]1CO 9c62ae305c971a386c5171a61d739321 [0,0,0,1,0,0|2,0,0]=3 3010 B11R1.200 CCCC(C)N1CCC1CC 7714750bdd2f7f3ad24c482414cb03e4 [0,0,0,1,0,0|2,0,1]=4 3011 B11R1.200 COCC(=O)N1CCC1CO 986ae23d588b91c5af60ecfbc40e3819 [0,0,0,1,0,0|3,0,0]=4 3012 B11R1.200 COCC(=O)N1CC[C@@H]1CO 141484075bad04843e417b98853436d4 [0,0,0,1,0,0|3,0,0]=4 3013 B11R1.200 COCC(=O)N1CC[C@H]1CO 43823f2e267e4fe02a8b55daa4874f07 [0,0,0,1,0,0|3,0,0]=4 3014 B11R1.200 CSCC(=O)N1CCC1CO ad92010c592c12a67be9af60a51033a5 [0,0,0,1,0,0|3,0,0]=4 3015 B11R1.200 CSCC(=O)N1CC[C@@H]1CO 7a12dea7dd9de53dd8a9732d8a8c48a6 [0,0,0,1,0,0|3,0,0]=4 3016 B11R1.200 CSCC(=O)N1CC[C@H]1CO 214b3ad817f6442b5a477738ede75c2c [0,0,0,1,0,0|3,0,0]=4 3017 B11R1.200 O=C(CCF)N1CCC1CO a227023ea430aaab419200c4dd76456f [0,0,0,1,0,0|3,0,0]=4 3018 B11R1.200 O=C(CCF)N1CC[C@@H]1CO 5c67dc0d4d1471af6bab9674d7a0a930 [0,0,0,1,0,0|3,0,0]=4 3019 B11R1.200 O=C(CCF)N1CC[C@H]1CO 9861f295222d9110d47071a3564edce2 [0,0,0,1,0,0|3,0,0]=4 3020 B11R1.200 O=C(CCO)N1CCC1CO 61e3a53029a30d870bb7054116a27275 [0,0,0,1,0,0|3,0,0]=4 3021 B11R1.200 O=C(CCO)N1CC[C@@H]1CO a39149fe97836ec77031839177967d88 [0,0,0,1,0,0|3,0,0]=4 3022 B11R1.200 O=C(CCO)N1CC[C@H]1CO 61460461fd975e3d2916565c2690e8c2 [0,0,0,1,0,0|3,0,0]=4 3023 B11R1.200 O=C(CCS)N1CCC1CO 27bdaa275afe908b429308bd57c477f7 [0,0,0,1,0,0|3,0,0]=4 3024 B11R1.200 O=C(CCS)N1CC[C@@H]1CO a4a53e407a99f547cf3b7a8dcd9cd172 [0,0,0,1,0,0|3,0,0]=4 3025 B11R1.200 O=C(CCS)N1CC[C@H]1CO 68e5940eaf79b8973810603b7ac1fd8c [0,0,0,1,0,0|3,0,0]=4 3026 B11R1.202 CCCC(=O)N[C@@H]1C[C@@H]1OC 74cb76695f2d1797484cd2f9a97a4a78 [0,0,0,1,0,0|2,0,0]=3 3027 B11R1.202 CCCC(=O)N[C@@H]1C[C@H]1CO ef95820307b71eed658a1f13787377a6 [0,0,0,1,0,0|2,0,0]=3 3028 B11R1.202 CCCC(=O)N[C@H]1C[C@@H]1CO d41a9b9daba582e0da34d8d3e5e6e980 [0,0,0,1,0,0|2,0,0]=3 3029 B11R1.202 CCCC(=O)N[C@H]1C[C@H]1CO 0328e2c7b8d50aeccc5899c53c38deec [0,0,0,1,0,0|2,0,0]=3 3030 B11R1.202 CCCC(=S)OC1CC1C=O d5d155975c5d2e6e479d99e412b8e8c2 [0,0,0,1,0,0|1,1,1]=4 3031 B11R1.202 COCC(=O)N[C@@H]1C[C@@H]1OC 3b02eeb1811d7c141e857e8e239b743c [0,0,0,1,0,0|3,0,0]=4 3032 B11R1.202 COCC(=O)N[C@@H]1C[C@H]1CO a214bb7d7e113d3d2aad9f8ec13dcee6 [0,0,0,1,0,0|3,0,0]=4 3033 B11R1.202 COCC(=O)N[C@H]1C[C@@H]1CO 00428a754082c20f127932d71d203f28 [0,0,0,1,0,0|3,0,0]=4 3034 B11R1.202 COCC(=O)N[C@H]1C[C@H]1CO 06077b5039e578a88a5aaa86e3e46d04 [0,0,0,1,0,0|3,0,0]=4 3035 B11R1.202 CO[C@H]1C[C@H]1NC(=O)CCF 4d63e3b72b065ac14a2627abd494ee44 [0,0,0,1,0,0|3,0,0]=4 3036 B11R1.202 CO[C@H]1C[C@H]1NC(=O)CCO 343f9ca0e4b8c094028ee9b07426e4eb [0,0,0,1,0,0|3,0,0]=4 3037 B11R1.202 CO[C@H]1C[C@H]1NC(=O)CCS d9893659c8e402d918c4baa1fb63d374 [0,0,0,1,0,0|3,0,0]=4 3038 B11R1.202 CO[C@H]1C[C@H]1NC(=O)CSC 79d337308a4478e992df1d6e29e22052 [0,0,0,1,0,0|3,0,0]=4 3039 B11R1.202 CSCC(=O)N[C@@H]1C[C@H]1CO fc0ef2c4975f7841d0ff44791c2ceae3 [0,0,0,1,0,0|3,0,0]=4 3040 B11R1.202 CSCC(=O)N[C@H]1C[C@@H]1CO 5996fd77af4de5926b3d6098124c3c22 [0,0,0,1,0,0|3,0,0]=4 3041 B11R1.202 CSCC(=O)N[C@H]1C[C@H]1CO 66b10f9f5dfe7be888f051c5dc68277e [0,0,0,1,0,0|3,0,0]=4 3042 B11R1.202 O=C(CCF)N[C@@H]1C[C@H]1CO 4116f926a085c8a20f1d60ca4298c697 [0,0,0,1,0,0|3,0,0]=4 3043 B11R1.202 O=C(CCF)N[C@H]1C[C@@H]1CO c9be6fa9ddcc3540c7964aad8d3b5628 [0,0,0,1,0,0|3,0,0]=4 3044 B11R1.202 O=C(CCF)N[C@H]1C[C@H]1CO d8d64ff0909f0f0216eb338e0ab97b4f [0,0,0,1,0,0|3,0,0]=4 3045 B11R1.202 O=C(CCO)N[C@@H]1C[C@H]1CO 92b14b7e6423f3ac7896fc0b2e1fe4b0 [0,0,0,1,0,0|3,0,0]=4 3046 B11R1.202 O=C(CCO)N[C@H]1C[C@@H]1CO 9ab6f92f602df4f5458bf97c59fb9f47 [0,0,0,1,0,0|3,0,0]=4 3047 B11R1.202 O=C(CCO)N[C@H]1C[C@H]1CO 4a284362a50f1bab0c2115fe896f558a [0,0,0,1,0,0|3,0,0]=4 3048 B11R1.202 O=C(CCS)N[C@@H]1C[C@H]1CO 49ffb7a88fd6534f73ac2b1ead7c0fb4 [0,0,0,1,0,0|3,0,0]=4 3049 B11R1.202 O=C(CCS)N[C@H]1C[C@@H]1CO 2122097dc3193370bf024ae3ae871350 [0,0,0,1,0,0|3,0,0]=4 3050 B11R1.202 O=C(CCS)N[C@H]1C[C@H]1CO f1266b2d264168f27eee3a8d56c3e429 [0,0,0,1,0,0|3,0,0]=4 3051 B11R1.230 C#CCOC1OC(=O)CC1C 1e7fa9312240cd1eff586b7eb8eeeb3c [0,0,0,1,0,0|1,0,2]=4 3052 B11R1.230 C=CCOC1OC(=O)CC1C 82fb875d7c4fb72ee492ed04463e54ab [0,0,0,1,0,0|1,0,2]=4 3053 B11R1.230 CC1CC(=O)OC1OCC#N 802cf0d443264b3d90965a0f5b0b0936 [0,0,0,1,0,0|2,0,1]=4 3054 B11R1.230 CC1CC(=O)OC1OCC=O 737a585dfd42453dab25c1d10acc05e5 [0,0,0,1,0,0|2,0,1]=4 3055 B11R1.230 CC1CC(=O)OC1OCCF 6d88b68cc75b62f1c1069eff46319bd4 [0,0,0,1,0,0|2,0,0]=3 3056 B11R1.230 CC1CC(=O)OC1OCCS 4a28be4c52a241bcb511c33869eb53c8 [0,0,0,1,0,0|2,0,0]=3 3057 B11R1.230 CCCOC1CC(=O)NC1C c5c406f203ed81ae39e47ce40a0e031c [0,0,0,1,0,0|3,0,0]=4 3058 B11R1.230 CCCOC1OC(=O)C=C1C ebf04cd38e1e40584fe9914d8d5eed6a [0,0,0,1,0,0|1,0,2]=4 3059 B11R1.230 CCCOC1OC(=O)CC1C f8b98e79aad2fd39ea3dc6c840dbd841 [0,0,0,1,0,0|1,0,0]=2 3060 B11R1.230 CCCO[C@H]1CC(=O)N[C@H]1C ca5a204547cca2003339d3c4c033a35c [0,0,0,1,0,0|3,0,0]=4 3061 B11R1.230 COCOC1OC(=O)CC1C 8939c8aa6aadfb3f4dad144b67803300 [0,0,0,1,0,0|2,0,0]=3 3062 B11R1.230 CSCOC1OC(=O)CC1C d07771cbf061d1ff45aafaf14f23160f [0,0,0,1,0,0|2,0,0]=3 3063 B11R1.265 CCC1C(=O)NCCN1CC 20cad01c24a6fd6c6dca4bb23ec63051 [0,0,0,1,0,0|2,0,0]=3 3064 B11R1.265 CCC1C(=O)NCCN1CF c80ad43075bce1a42718c2f34b529ede [0,0,0,1,0,0|3,0,0]=4 3065 B11R1.265 CCC1C(=O)NCCN1CO 6b7d6ef21b382c20260fc154c9503699 [0,0,0,1,0,0|3,0,0]=4 3066 B11R1.288 CCCC(=O)CNC1CC1C d954e2b207b1ef78587a602b0d1ee90f [0,0,0,1,0,0|2,0,0]=3 3067 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 7e8349922730550a38630d344f1893e3 [0,0,0,1,0,0|3,0,0]=4 3068 B11R1.288 CCCC(=O)CN[C@H]1C[C@@H]1F a239e36245d8fce58d6a8f5966821a22 [0,0,0,1,0,0|3,0,0]=4 3069 B11R1.288 CCCC(=O)CN[C@H]1C[C@H]1F 1868a725d2bc40eb8793180b67b77eef [0,0,0,1,0,0|3,0,0]=4 3070 B11R1.288 CCCC(C)OCC1CC1C b7d6be90d0fd80a395dff94ee002ad53 [0,0,0,1,0,0|1,0,1]=3 3071 B11R1.288 CCCC(C)OC[C@@H]1C[C@@H]1C 35939abaf7804555fbdf71cee6d425d2 [0,0,0,1,0,0|1,0,1]=3 3072 B11R1.288 CCCC(C)OC[C@@H]1C[C@@H]1F be1ca1a42945e63a8e0673109cc680cb [0,0,0,1,0,0|2,0,1]=4 3073 B11R1.288 CCCC(C)OC[C@@H]1C[C@H]1C 60e6e9e76d277c9ae35a1651b7b06f90 [0,0,0,1,0,0|1,0,1]=3 3074 B11R1.288 CCCC(C)OC[C@@H]1C[C@H]1F d46475e65f7b6600ecb4617ec51cf846 [0,0,0,1,0,0|2,0,1]=4 3075 B11R1.288 CCCC(C)OC[C@H]1C[C@@H]1C b256b9f5c4cf829cbf2282649c33bbcd [0,0,0,1,0,0|1,0,1]=3 3076 B11R1.288 CCCC(C)OC[C@H]1C[C@@H]1F faae4f56ad82b326fb3675147bf5163d [0,0,0,1,0,0|2,0,1]=4 3077 B11R1.288 CCCC(C)OC[C@H]1C[C@H]1F a0fad2bce76603119d58ed0186bfb7d3 [0,0,0,1,0,0|2,0,1]=4 3078 B11R1.288 CCNC(=O)CNC1CC1C a172f2d344a2f072a18873a2d5e03621 [0,0,0,1,0,0|3,0,0]=4 3079 B11R1.288 CCOC(=O)CNC1CC1C 22d926c339c99ce24ba81845aa6f8d65 [0,0,0,1,0,0|3,0,0]=4 3080 B11R1.288 COCC(=O)CNC1CC1C a59fea765789c12f9cc32ee143fa7afe [0,0,0,1,0,0|3,0,0]=4 3081 B11R1.288 COCC(C)OCC1CC1C d07c8617dfabbc4d8db99ae318a73d6d [0,0,0,1,0,0|2,0,1]=4 3082 B11R1.288 COCC(C)OC[C@@H]1C[C@@H]1C ec53c82737099c98194143473d0f1f93 [0,0,0,1,0,0|2,0,1]=4 3083 B11R1.288 COCC(C)OC[C@@H]1C[C@H]1C ce8168b02174219c981f90e849d399a4 [0,0,0,1,0,0|2,0,1]=4 3084 B11R1.288 COCC(C)OC[C@H]1C[C@@H]1C e99b721dd1bd8714f1e829d9645d2a84 [0,0,0,1,0,0|2,0,1]=4 3085 B11R1.289 C#CCC(=O)NCC1CCC1 0acda64149afbd376cc50967ac4260a4 [0,0,0,1,0,0|1,0,2]=4 3086 B11R1.289 C/C=C/C(=O)NCC1CCC1 533ec5bdbb5c2001b88d2e81d1e7a135 [0,0,0,1,0,0|1,0,2]=4 3087 B11R1.289 C=CCC(=O)NCC1CCC1 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[0,0,0,1,0,0|2,0,0]=3 3099 B11R1.289 CCCC(=O)OCN1CCC1 7349536bcaaf6321025597a599bb215a [0,0,0,1,0,0|1,0,0]=2 3100 B11R1.289 CCCC(=S)OCC1CCC1 cb7b37bc0b934052223a44a5747503af [0,0,0,1,0,0|0,1,0]=2 3101 B11R1.289 CCCC(=S)OCC1CCO1 023ba35ad3bb53d5767bdfdf7c02f931 [0,0,0,1,0,0|1,1,0]=3 3102 B11R1.289 CCCC(=S)OCC1COC1 8a84931f323fbfa3dac1f8acf45d0b39 [0,0,0,1,0,0|1,1,0]=3 3103 B11R1.289 CCCC(=S)OC[C@@H]1CCO1 09754b0a55fab1dbd7359797d250de45 [0,0,0,1,0,0|1,1,0]=3 3104 B11R1.289 CCCC(=S)OC[C@H]1CCO1 26f3ad0afb0eef31ce5bb553d2fc5db5 [0,0,0,1,0,0|1,1,0]=3 3105 B11R1.289 CCCC(C)NCC1CCC1 a8aa2f2e00c98f0a366f5f2d9f2bde54 [0,0,0,1,0,0|2,0,1]=4 3106 B11R1.289 CCCC(C)OCC1CCC1 1d8c48dd62df9c51371993a06ea5d123 [0,0,0,1,0,0|1,0,1]=3 3107 B11R1.289 CCCC(C)OCC1CCO1 6612467398ed61398e5680aa30a32c2a [0,0,0,1,0,0|2,0,1]=4 3108 B11R1.289 CCCC(C)OCC1COC1 52e262e89cdc0b1c06d190dd4e6dd360 [0,0,0,1,0,0|2,0,1]=4 3109 B11R1.289 CCCC(C)OCC1CSC1 3638299549653a1aeae460b2ab5a2bd4 [0,0,0,1,0,0|2,0,1]=4 3110 B11R1.289 CCCC(C)OC[C@@H]1CCO1 514a4609289410b71e916296d1827e32 [0,0,0,1,0,0|2,0,1]=4 3111 B11R1.289 CCCC(C)OC[C@H]1CCO1 a7816d049a4d1ce96d60e121ef1151b9 [0,0,0,1,0,0|2,0,1]=4 3112 B11R1.289 CCCN(C)CCC1CCC1 86e8e5d1b0f44d28eac666b9b60a9a21 [0,0,0,1,0,0|3,0,0]=4 3113 B11R1.289 CCC[C@@H](C)OCC1CCC1 00c9de97494c916ac5742d7905a149a2 [0,0,0,1,0,0|1,0,1]=3 3114 B11R1.289 CCC[C@@H](C)OCC1CCO1 744855d7af4ac2a1329d89e35e00df67 [0,0,0,1,0,0|2,0,1]=4 3115 B11R1.289 CCC[C@@H](C)OCC1COC1 1b24cc3643c968c29001caa5e3ff381c [0,0,0,1,0,0|2,0,1]=4 3116 B11R1.289 CCC[C@@H](C)OC[C@@H]1CCO1 6fb84bdca16abb971b500e66b56b5706 [0,0,0,1,0,0|2,0,1]=4 3117 B11R1.289 CCC[C@@H](C)OC[C@H]1CCO1 dae85b7e480152e6dc7c379643f579fd [0,0,0,1,0,0|2,0,1]=4 3118 B11R1.289 CCC[C@H](C)NCC1CCC1 c90ea2aa79e3e7d7e6fd761f4278bd78 [0,0,0,1,0,0|2,0,1]=4 3119 B11R1.289 CCC[C@H](C)OCC1CCC1 efe93e1795c996e65f94a70456d391e4 [0,0,0,1,0,0|1,0,1]=3 3120 B11R1.289 CCC[C@H](C)OCC1CCO1 55280c4d3dc0ca584c0d9f579a06b88b [0,0,0,1,0,0|2,0,1]=4 3121 B11R1.289 CCC[C@H](C)OCC1COC1 69ccfd2f902289c39b2489a07bc6b897 [0,0,0,1,0,0|2,0,1]=4 3122 B11R1.289 CCC[C@H](C)OC[C@@H]1CCO1 9e3947d6f15833097ef9d0f8c1f9a7ba [0,0,0,1,0,0|2,0,1]=4 3123 B11R1.289 CCC[C@H](C)OC[C@H]1CCO1 8cb235999cfca8bdee44d2fc5963362a [0,0,0,1,0,0|2,0,1]=4 3124 B11R1.289 CCNC(=O)CCN1CCC1 885968a1ad271fc45253bacbded90f9a [0,0,0,1,0,0|3,0,0]=4 3125 B11R1.289 CCNC(=O)CNC1CCC1 7a5196f02f7e2814f39d1675c93441e3 [0,0,0,1,0,0|3,0,0]=4 3126 B11R1.289 CCNC(=O)COC1CCC1 7fef597923c8f47d7eebc4f2ebb4796b [0,0,0,1,0,0|3,0,0]=4 3127 B11R1.289 CCOC(=O)CNC1CCC1 1cd679d4045b00d64456d8178835dcbc [0,0,0,1,0,0|3,0,0]=4 3128 B11R1.289 CCOC(=O)COC1CCC1 d0887e2272bbe8eb1c33dd0cab0a9e49 [0,0,0,1,0,0|3,0,0]=4 3129 B11R1.289 CCOC(=O)OCN1CCC1 b4ba06c5be4a450f28ac2456685a0352 [0,0,0,1,0,0|2,0,0]=3 3130 B11R1.289 CCSC(=O)OCN1CCC1 d3abc7a4b7ec118f0fea98bd634cedbc [0,0,0,1,0,0|2,0,0]=3 3131 B11R1.289 COCC(=O)CNC1CCC1 cd4e20785b5a2ae96480f8f1954b3bb7 [0,0,0,1,0,0|3,0,0]=4 3132 B11R1.289 COCC(=O)COC1CCC1 8df271acb42091b390deaf136f543eeb [0,0,0,1,0,0|3,0,0]=4 3133 B11R1.289 COCC(=O)NCC1CCC1 86b57a680b488a69d3083da1998befd3 [0,0,0,1,0,0|2,0,0]=3 3134 B11R1.289 COCC(=O)NCC1CCO1 ec569996f35c60e4dcc6a1ab53f8de25 [0,0,0,1,0,0|3,0,0]=4 3135 B11R1.289 COCC(=O)NCC1COC1 425b7b65a180e307362c8444e2f01aa2 [0,0,0,1,0,0|3,0,0]=4 3136 B11R1.289 COCC(=O)NC[C@@H]1CCO1 d7e2775bd0d591c3403df6da2aca0985 [0,0,0,1,0,0|3,0,0]=4 3137 B11R1.289 COCC(=O)NC[C@H]1CCO1 d71959809606fc6ec1d2378ef8708ba7 [0,0,0,1,0,0|3,0,0]=4 3138 B11R1.289 COCC(C)OCC1CCC1 80fc755b7771971ae47d66ec487ef7b2 [0,0,0,1,0,0|2,0,1]=4 3139 B11R1.289 COC[C@@H](C)OCC1CCC1 b7d2c3aa1e4b6ce1c4e128385c20c648 [0,0,0,1,0,0|2,0,1]=4 3140 B11R1.289 COC[C@H](C)OCC1CCC1 86ddb957295028ffa01440bf5e3d5bce [0,0,0,1,0,0|2,0,1]=4 3141 B11R1.289 CSCC(=O)NCC1CCC1 9a7df6e00fdc16b86c1fb9a63b2707d6 [0,0,0,1,0,0|2,0,0]=3 3142 B11R1.289 CSCC(=O)NCC1CCO1 697b8155c269b4515574e726bcf91423 [0,0,0,1,0,0|3,0,0]=4 3143 B11R1.289 CSCC(=O)NCC1COC1 59ba0a3a98810e385d64a5d5b7622dfc [0,0,0,1,0,0|3,0,0]=4 3144 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 fb5cbdf8aca9dba21e77b89ba9eb10fb [0,0,0,1,0,0|3,0,0]=4 3145 B11R1.289 CSCC(=O)NC[C@H]1CCO1 482d7153bfeace483ac8253ad46ef8e7 [0,0,0,1,0,0|3,0,0]=4 3146 B11R1.289 CSCC(C)OCC1CCC1 c40d0a8029b8814e469467ef32bbbfef [0,0,0,1,0,0|2,0,1]=4 3147 B11R1.289 N#CCC(=O)NCC1CCC1 538d60d2383bfb0a8802f299fc3e4653 [0,0,0,1,0,0|2,0,1]=4 3148 B11R1.289 NOCC(=O)NCC1CCC1 e05201cd643a7e604a0ac31c8561617c [0,0,0,1,0,0|3,0,0]=4 3149 B11R1.289 O=C(CCF)NCC1CCC1 bca3155db107b87329f534d87492db5a [0,0,0,1,0,0|2,0,0]=3 3150 B11R1.289 O=C(CCF)NCC1CCO1 434053e26b27ae597bbad4d3fb1b525b [0,0,0,1,0,0|3,0,0]=4 3151 B11R1.289 O=C(CCF)NCC1COC1 76bf99fcc2c23bac95c464ba07dfffd6 [0,0,0,1,0,0|3,0,0]=4 3152 B11R1.289 O=C(CCF)NC[C@@H]1CCO1 3fb2192cc0bfef94102b8af85013071b [0,0,0,1,0,0|3,0,0]=4 3153 B11R1.289 O=C(CCF)NC[C@H]1CCO1 88559ffdad1c8fad5bdbc91a8beaa5d8 [0,0,0,1,0,0|3,0,0]=4 3154 B11R1.289 O=C(CCO)NCC1CCC1 d95457829de025432eb08e1c586d06bc [0,0,0,1,0,0|2,0,0]=3 3155 B11R1.289 O=C(CCO)NCC1CCO1 d8441532e5203c45b5afa7bf3abe0fab [0,0,0,1,0,0|3,0,0]=4 3156 B11R1.289 O=C(CCO)NCC1COC1 cf240569310e146a2bc2f0d0877c0ddb [0,0,0,1,0,0|3,0,0]=4 3157 B11R1.289 O=C(CCO)NC[C@@H]1CCO1 069272b9b774879e96eeca34a2f5f3ce [0,0,0,1,0,0|3,0,0]=4 3158 B11R1.289 O=C(CCO)NC[C@H]1CCO1 78666732e0270f9f03d7513d6ae18ffb [0,0,0,1,0,0|3,0,0]=4 3159 B11R1.289 O=C(CCS)NCC1CCC1 fad23bfd302e09ca569e288772e49946 [0,0,0,1,0,0|2,0,0]=3 3160 B11R1.289 O=C(CCS)NCC1CCO1 f4d4baffebe2a40a3fe3ee969f8b2579 [0,0,0,1,0,0|3,0,0]=4 3161 B11R1.289 O=C(CCS)NCC1COC1 59227a0fec53fcab869f365a2ea6b2b2 [0,0,0,1,0,0|3,0,0]=4 3162 B11R1.289 O=C(CCS)NC[C@@H]1CCO1 4f9b32351645225f203f4d9cc80ac173 [0,0,0,1,0,0|3,0,0]=4 3163 B11R1.289 O=C(CCS)NC[C@H]1CCO1 1b887caa7824a7259cdf8107d45ecc11 [0,0,0,1,0,0|3,0,0]=4 3164 B11R1.289 O=CCC(=O)NCC1CCC1 47a2cd6f66ed8d19171e3fa53a2c2935 [0,0,0,1,0,0|2,0,1]=4 3165 B11R1.290 C#CCC(=O)NCCC1CC1 2c58e03e9d28f2dcfadc6d9583d858d9 [0,0,0,1,0,0|1,0,2]=4 3166 B11R1.290 C/C=C/C(=O)NCCC1CC1 60e52067b036c59087ab93101f7520a6 [0,0,0,1,0,0|1,0,2]=4 3167 B11R1.290 C=CCC(=O)NCCC1CC1 2ddb47d0acdc1dbfe456564b2558136e [0,0,0,1,0,0|1,0,2]=4 3168 B11R1.290 CC#CC(=O)NCCC1CC1 2661b8f36b82830e647fd919668cc883 [0,0,0,1,0,0|1,0,2]=4 3169 B11R1.290 CCCC(=O)CNCC1CC1 6af81ad12afd538d9fdc8f756ba3946d [0,0,0,1,0,0|2,0,0]=3 3170 B11R1.290 CCCC(=O)COCC1CC1 c36fc0342e9c020aa8512dfa45b81e70 [0,0,0,1,0,0|2,0,0]=3 3171 B11R1.290 CCCC(=O)NCCC1CC1 c432eda3bdde520848213d9a422afe00 [0,0,0,1,0,0|1,0,0]=2 3172 B11R1.290 CCCC(=O)NCCN1CC1 f67979bc0ed19ec538b5db02d3ec2712 [0,0,0,1,0,0|2,0,0]=3 3173 B11R1.290 CCCC(=O)OCNC1CC1 43fcec24fbfef50b224d0e27d37f28b1 [0,0,0,1,0,0|1,0,0]=2 3174 B11R1.290 CCCC(=O)OCOC1CC1 c2019d33dbebb658ce4dcad4e0c27779 [0,0,0,1,0,0|1,0,0]=2 3175 B11R1.290 CCCC(=S)OCCC1CC1 0fd9250a483414aeb9c9fab23588cdf9 [0,0,0,1,0,0|0,1,0]=2 3176 B11R1.290 CCCC(C)NCCC1CC1 a82a857453b87974d1a963efbbe8b6f4 [0,0,0,1,0,0|2,0,1]=4 3177 B11R1.290 CCCC(C)OCCC1CC1 399fd5a95cac2db30ed09cdf67c183f5 [0,0,0,1,0,0|1,0,1]=3 3178 B11R1.290 CCCC(C)OCCN1CC1 a1953632df84b31693bf9209b487cedf [0,0,0,1,0,0|2,0,1]=4 3179 B11R1.290 CCC[C@@H](C)OCCC1CC1 594941d080d8074ccdbfbc5fd73c9d01 [0,0,0,1,0,0|1,0,1]=3 3180 B11R1.290 CCC[C@H](C)NCCC1CC1 629b035fc30a3a6b0fdc5a5fc60e86f7 [0,0,0,1,0,0|2,0,1]=4 3181 B11R1.290 CCC[C@H](C)OCCC1CC1 0cde0ecda1427c9a121febef46c72481 [0,0,0,1,0,0|1,0,1]=3 3182 B11R1.290 CCNC(=O)CCNC1CC1 30239c8c8e9768f8be23a01bace5e494 [0,0,0,1,0,0|3,0,0]=4 3183 B11R1.290 CCNC(=O)CCOC1CC1 d6419b71a0cedc410718a606c23d8709 [0,0,0,1,0,0|3,0,0]=4 3184 B11R1.290 CCNC(=O)CNCC1CC1 f037e2264483c7b40986b3ecb037bc99 [0,0,0,1,0,0|3,0,0]=4 3185 B11R1.290 CCNC(=O)COCC1CC1 992243b156555a035d355dceeef79ae4 [0,0,0,1,0,0|3,0,0]=4 3186 B11R1.290 CCOC(=O)CCNC1CC1 7ae5e275187e0c18246e66f2bc7a753a [0,0,0,1,0,0|3,0,0]=4 3187 B11R1.290 CCOC(=O)CCOC1CC1 af8bebc034c959f0e8580db2fdba9e76 [0,0,0,1,0,0|3,0,0]=4 3188 B11R1.290 CCOC(=O)CNCC1CC1 79d5db5ae52ac1e153ab3beb3e8f393d [0,0,0,1,0,0|3,0,0]=4 3189 B11R1.290 CCOC(=O)COCC1CC1 7982bcf3144c0e34c33add663bbf7f17 [0,0,0,1,0,0|3,0,0]=4 3190 B11R1.290 CCOC(=O)OCNC1CC1 ef53ecb73156aa2eb7ca96ec650039f9 [0,0,0,1,0,0|2,0,0]=3 3191 B11R1.290 CCOC(=O)OCOC1CC1 778b92d3efd30382ac17d2660ddf3511 [0,0,0,1,0,0|2,0,0]=3 3192 B11R1.290 CCSC(=O)OCNC1CC1 5780f36062089e1d3894d650e5f65877 [0,0,0,1,0,0|2,0,0]=3 3193 B11R1.290 CCSC(=O)OCOC1CC1 b2c3e1ace4113f8ec4910ddf9997011c [0,0,0,1,0,0|2,0,0]=3 3194 B11R1.290 COCC(=O)CNCC1CC1 872d9964d0adbf4085efb8e847d5def0 [0,0,0,1,0,0|3,0,0]=4 3195 B11R1.290 COCC(=O)COCC1CC1 a141c8067f3f8d8b08ae447d01abfba0 [0,0,0,1,0,0|3,0,0]=4 3196 B11R1.290 COCC(=O)NCCC1CC1 a31e129b1bcd3bd9764c3d12f8a17dc1 [0,0,0,1,0,0|2,0,0]=3 3197 B11R1.290 COCC(=O)NCCN1CC1 f9eeda3a9c5598e6fcf8672921028526 [0,0,0,1,0,0|3,0,0]=4 3198 B11R1.290 COCC(C)OCCC1CC1 af26c31faa4cb8e724c0230d9b82f0f0 [0,0,0,1,0,0|2,0,1]=4 3199 B11R1.290 COC[C@@H](C)OCCC1CC1 079e834d642b6201641dd6b8cde5a8b2 [0,0,0,1,0,0|2,0,1]=4 3200 B11R1.290 COC[C@H](C)OCCC1CC1 6e505ec687c5044ed9a361b3f9d03ecd [0,0,0,1,0,0|2,0,1]=4 3201 B11R1.290 CSCC(=O)NCCC1CC1 7a223ba63aa7ca21b60387f73678eaee [0,0,0,1,0,0|2,0,0]=3 3202 B11R1.290 CSCC(=O)NCCN1CC1 d381e7274c7defe46166c7e6794981fc [0,0,0,1,0,0|3,0,0]=4 3203 B11R1.290 CSCC(C)OCCC1CC1 a675c32dc903c0f3130f5cffda5f9e49 [0,0,0,1,0,0|2,0,1]=4 3204 B11R1.290 N#CCC(=O)NCCC1CC1 515c3b52ddc84c8155a6482e859a82ee [0,0,0,1,0,0|2,0,1]=4 3205 B11R1.290 NOCC(=O)NCCC1CC1 9c658376c97b803aabe9fae79b3b3710 [0,0,0,1,0,0|3,0,0]=4 3206 B11R1.290 O=C(CCF)NCCC1CC1 cdad2acab660246f82228783b360da84 [0,0,0,1,0,0|2,0,0]=3 3207 B11R1.290 O=C(CCF)NCCN1CC1 6d726b13c710a85a2aa528de5c98bcbc [0,0,0,1,0,0|3,0,0]=4 3208 B11R1.290 O=C(CCO)NCCC1CC1 7a47c985998f460f8ea5c0507f196d21 [0,0,0,1,0,0|2,0,0]=3 3209 B11R1.290 O=C(CCO)NCCN1CC1 5ffb7ba37343e1742e3e5a0809e61217 [0,0,0,1,0,0|3,0,0]=4 3210 B11R1.290 O=C(CCS)NCCC1CC1 c80c80365dc6ddc217c7319e269c0707 [0,0,0,1,0,0|2,0,0]=3 3211 B11R1.290 O=C(CCS)NCCN1CC1 4d037c5cd7bbf0b3eda3bcf4c4ed6fc1 [0,0,0,1,0,0|3,0,0]=4 3212 B11R1.290 O=CCC(=O)NCCC1CC1 7e71c9aaad855582bc3442521f4ece77 [0,0,0,1,0,0|2,0,1]=4 3213 B11R1.291 C#CCC(=O)N[C@@H]1CC[C@H]1C 67d0a8a0e9f24b0058f04ae426ba6287 [0,0,0,1,0,0|1,0,2]=4 3214 B11R1.291 C#CCC(=O)N[C@H]1CC[C@H]1C 8c54d84ed34d58a532ab4a4503bb8d92 [0,0,0,1,0,0|1,0,2]=4 3215 B11R1.291 C/C=C/C(=O)N[C@@H]1CC[C@H]1C 0fce305b87d9dd6cb321f7e2e9f93732 [0,0,0,1,0,0|1,0,2]=4 3216 B11R1.291 C/C=C/C(=O)N[C@H]1CC[C@H]1C eb7a59bcfd446995d239d077cd36ef74 [0,0,0,1,0,0|1,0,2]=4 3217 B11R1.291 C=CCC(=O)N[C@@H]1CC[C@H]1C 9f1b021d118ec931260dd77ccac83e9e [0,0,0,1,0,0|1,0,2]=4 3218 B11R1.291 C=CCC(=O)N[C@H]1CC[C@H]1C 442709515e279ffe89cb3e36dc70ad15 [0,0,0,1,0,0|1,0,2]=4 3219 B11R1.291 CC#CC(=O)N[C@@H]1CC[C@H]1C 40eed56d4f186ac670b3954d93bcc49c [0,0,0,1,0,0|1,0,2]=4 3220 B11R1.291 CC#CC(=O)N[C@H]1CC[C@H]1C bca06c4997073e9ce3dcd0baeecce3e9 [0,0,0,1,0,0|1,0,2]=4 3221 B11R1.291 CC1OCC1NC(=O)CCF a19954b96ead6460692faf005333e225 [0,0,0,1,0,0|3,0,0]=4 3222 B11R1.291 CC1OCC1NC(=O)CCO 2b9fa5ada9809260d26bcc211cf83120 [0,0,0,1,0,0|3,0,0]=4 3223 B11R1.291 CC1OCC1NC(=O)CCS 5daba137af58d04b5c84b9afcee266c7 [0,0,0,1,0,0|3,0,0]=4 3224 B11R1.291 CCCC(=O)NC1CCC1F e8020b440ff7495216f63e1655678d3d [0,0,0,1,0,0|2,0,0]=3 3225 B11R1.291 CCCC(=O)NC1CCC1O ecd2f814a80c7488f292f4711202bbf2 [0,0,0,1,0,0|2,0,0]=3 3226 B11R1.291 CCCC(=O)NC1COC1C 2e1973fa6f5718042a0636d04efce41a [0,0,0,1,0,0|2,0,0]=3 3227 B11R1.291 CCCC(=O)N[C@@H]1CC[C@@H]1O 40e12853b22e986f5c1c60e83492dc57 [0,0,0,1,0,0|2,0,0]=3 3228 B11R1.291 CCCC(=O)N[C@@H]1CC[C@H]1C 6bfc221917be827119a6323aeb1c35ae [0,0,0,1,0,0|1,0,0]=2 3229 B11R1.291 CCCC(=O)N[C@@H]1CC[C@H]1O d8d3c068ab96ce0e5d0ccce1971e8ad8 [0,0,0,1,0,0|2,0,0]=3 3230 B11R1.291 CCCC(=O)N[C@H]1CC[C@@H]1O e0f793dc16285ab375c4349543998ad2 [0,0,0,1,0,0|2,0,0]=3 3231 B11R1.291 CCCC(=O)N[C@H]1CC[C@H]1C dad3e06ac860c055e6d51faea1fe754d [0,0,0,1,0,0|1,0,0]=2 3232 B11R1.291 CCCC(=O)N[C@H]1CC[C@H]1O d6a44369d13c004921a2b4cfaf0b6d09 [0,0,0,1,0,0|2,0,0]=3 3233 B11R1.291 CCCC(=S)OC1CCC1=O 2bfd61a3e9d0c58c78661087fe222eb5 [0,0,0,1,0,0|1,1,1]=4 3234 B11R1.291 CCCC(C)N[C@@H]1CC[C@H]1C 6ff1126f00d22cd9cac9084f74c9faf9 [0,0,0,1,0,0|2,0,1]=4 3235 B11R1.291 CCCC(C)N[C@H]1CC[C@H]1C 42ab3f600a3e849101d68dab05482e41 [0,0,0,1,0,0|2,0,1]=4 3236 B11R1.291 CCCC(C)OC1COC1C 4d1490760a627ded717723aeac6488c2 [0,0,0,1,0,0|2,0,1]=4 3237 B11R1.291 COCC(=O)NC1CCC1F 3444be4ee17b5144e6a244efd4a8d63a [0,0,0,1,0,0|3,0,0]=4 3238 B11R1.291 COCC(=O)NC1CCC1O bc0816d842987493127c2b222006da8e [0,0,0,1,0,0|3,0,0]=4 3239 B11R1.291 COCC(=O)NC1COC1C 954bd7ad107f9f562c5c98258e227f9b [0,0,0,1,0,0|3,0,0]=4 3240 B11R1.291 COCC(=O)N[C@@H]1CC[C@@H]1O a9697028406c594f2826e46414943e40 [0,0,0,1,0,0|3,0,0]=4 3241 B11R1.291 COCC(=O)N[C@@H]1CC[C@H]1C a97c3faa05942cc1badaec0275098028 [0,0,0,1,0,0|2,0,0]=3 3242 B11R1.291 COCC(=O)N[C@@H]1CC[C@H]1O b14b806e5362abdd9dc0bc2b3fb7c30d [0,0,0,1,0,0|3,0,0]=4 3243 B11R1.291 COCC(=O)N[C@H]1CC[C@@H]1O 83e3171b13953efb31aef48990246f15 [0,0,0,1,0,0|3,0,0]=4 3244 B11R1.291 COCC(=O)N[C@H]1CC[C@H]1C d61c9d44618d5793e250731f0374a9c5 [0,0,0,1,0,0|2,0,0]=3 3245 B11R1.291 COCC(=O)N[C@H]1CC[C@H]1O 9238396392e9f3edb72fad4d588010d2 [0,0,0,1,0,0|3,0,0]=4 3246 B11R1.291 CSCC(=O)NC1CCC1F b3e1fdda59344ea55dea37255c4020d7 [0,0,0,1,0,0|3,0,0]=4 3247 B11R1.291 CSCC(=O)NC1CCC1O 55f8368f49ee6fe69a1ae623964a6ce7 [0,0,0,1,0,0|3,0,0]=4 3248 B11R1.291 CSCC(=O)NC1COC1C 510aa73b1e1bc3e25da877be77debb9a [0,0,0,1,0,0|3,0,0]=4 3249 B11R1.291 CSCC(=O)N[C@@H]1CC[C@@H]1O 87b4c636259fc2f77d51f866b5543ac0 [0,0,0,1,0,0|3,0,0]=4 3250 B11R1.291 CSCC(=O)N[C@@H]1CC[C@H]1C 3b5661935be957e8cf5e56efd82f702c [0,0,0,1,0,0|2,0,0]=3 3251 B11R1.291 CSCC(=O)N[C@@H]1CC[C@H]1O 1ebcf7707db3d4d7975758bb3daa2b38 [0,0,0,1,0,0|3,0,0]=4 3252 B11R1.291 CSCC(=O)N[C@H]1CC[C@@H]1O 7c97c523276ce0674730679180d4f594 [0,0,0,1,0,0|3,0,0]=4 3253 B11R1.291 CSCC(=O)N[C@H]1CC[C@H]1C fd1206d1b34505934593d829c1441997 [0,0,0,1,0,0|2,0,0]=3 3254 B11R1.291 CSCC(=O)N[C@H]1CC[C@H]1O c4422c4ef16cb62179ca4d529d572722 [0,0,0,1,0,0|3,0,0]=4 3255 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CC#N f4a17c716182bc738f183c24dc69d8f1 [0,0,0,1,0,0|2,0,1]=4 3256 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CC=O dae10382518c5bdf1bd819c16047baf1 [0,0,0,1,0,0|2,0,1]=4 3257 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CCF 721790ce6d7a3bb1ca5497c8231fcd88 [0,0,0,1,0,0|2,0,0]=3 3258 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CCO 4771e75c88998f801f5dad51ea387cfe [0,0,0,1,0,0|2,0,0]=3 3259 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CCS ecf3f05124295dc63b9095e71105ea82 [0,0,0,1,0,0|2,0,0]=3 3260 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CON 391925e4d02fa13a0a8f30539f620f95 [0,0,0,1,0,0|3,0,0]=4 3261 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CC#N f6c21d2256d35ff50668fe398bcd3d60 [0,0,0,1,0,0|2,0,1]=4 3262 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CC=O 840a76429ffb77d6d8093fdfca724550 [0,0,0,1,0,0|2,0,1]=4 3263 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CCF 1ca2c6484f7481b6c1e1a4a5d8cf86c4 [0,0,0,1,0,0|2,0,0]=3 3264 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CCO 659c281c77a3a44c03ccb596a26094fb [0,0,0,1,0,0|2,0,0]=3 3265 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CCS bbb65d1966fb489a2c485b1a12430d39 [0,0,0,1,0,0|2,0,0]=3 3266 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CON fe504f8b460f35686440e61480cb5ef4 [0,0,0,1,0,0|3,0,0]=4 3267 B11R1.291 O=C(CCF)NC1CCC1F 0bf6d7ef3a55418ecbfd5cdea7be9133 [0,0,0,1,0,0|3,0,0]=4 3268 B11R1.291 O=C(CCF)NC1CCC1O 63f63c24cbbdcacf4bee51d99c3e0294 [0,0,0,1,0,0|3,0,0]=4 3269 B11R1.291 O=C(CCF)N[C@@H]1CC[C@@H]1O fae2399251eb0c21b53267d6bcb06972 [0,0,0,1,0,0|3,0,0]=4 3270 B11R1.291 O=C(CCF)N[C@@H]1CC[C@H]1O 7c0d17edd4f47fe227e2fde2b5f93cda [0,0,0,1,0,0|3,0,0]=4 3271 B11R1.291 O=C(CCF)N[C@H]1CC[C@@H]1O c07f04c6989141e7a199565a71ed62a1 [0,0,0,1,0,0|3,0,0]=4 3272 B11R1.291 O=C(CCF)N[C@H]1CC[C@H]1O d887a8bcdf5d7c2229064a64755f9d07 [0,0,0,1,0,0|3,0,0]=4 3273 B11R1.291 O=C(CCO)NC1CCC1F 376a9c218e9506db053fd9b02dd87ad2 [0,0,0,1,0,0|3,0,0]=4 3274 B11R1.291 O=C(CCO)NC1CCC1O 823fe0d6755fd0c6055378dcaecbe78b [0,0,0,1,0,0|3,0,0]=4 3275 B11R1.291 O=C(CCO)N[C@@H]1CC[C@@H]1O fd3ccc36e4ddc0fa060005fa9eb058bd [0,0,0,1,0,0|3,0,0]=4 3276 B11R1.291 O=C(CCO)N[C@@H]1CC[C@H]1O 3b8d608c183ad4ce509b4cb9b61a2965 [0,0,0,1,0,0|3,0,0]=4 3277 B11R1.291 O=C(CCO)N[C@H]1CC[C@@H]1O 9abcd034bab77c37e6052c367e87c41e [0,0,0,1,0,0|3,0,0]=4 3278 B11R1.291 O=C(CCO)N[C@H]1CC[C@H]1O a3bdc18cb7b0c592a446970c82cec9d4 [0,0,0,1,0,0|3,0,0]=4 3279 B11R1.291 O=C(CCS)NC1CCC1F befbf2b210fcd2826bd70b39a526ac18 [0,0,0,1,0,0|3,0,0]=4 3280 B11R1.291 O=C(CCS)NC1CCC1O acd330bc89ce8dad2eee122c24875c8e [0,0,0,1,0,0|3,0,0]=4 3281 B11R1.291 O=C(CCS)N[C@@H]1CC[C@@H]1O 06560749322e0a772e60f5b046c78984 [0,0,0,1,0,0|3,0,0]=4 3282 B11R1.291 O=C(CCS)N[C@@H]1CC[C@H]1O 7f5c673accf021c9c4ab8dfbe1d07aa2 [0,0,0,1,0,0|3,0,0]=4 3283 B11R1.291 O=C(CCS)N[C@H]1CC[C@@H]1O 2e987233106014f2f43677bd038492a3 [0,0,0,1,0,0|3,0,0]=4 3284 B11R1.291 O=C(CCS)N[C@H]1CC[C@H]1O 1dc2d1028d66b70b77bacdfb4275e0e3 [0,0,0,1,0,0|3,0,0]=4 3285 B11R1.356 C#CCNCOC(=O)C1CC1 9da97fc9913ac650d6e6df3a07cd5866 [0,0,0,1,0,0|1,0,2]=4 3286 B11R1.356 C#CCOCOC(=O)C1CC1 7ce1f5558b71378d641defc5c00d94e7 [0,0,0,1,0,0|1,0,2]=4 3287 B11R1.356 CC(OCCCCF)C1CC1 ceb4f3b99a2bb5c32c65f9be5ba96bb6 [0,0,0,1,0,0|2,0,1]=4 3288 B11R1.356 CC(OCCCCS)C1CC1 071c301f2441a2c01fe4170a1b0cb65e [0,0,0,1,0,0|2,0,1]=4 3289 B11R1.356 CCCCCCN(C)C1CC1 a7ba5d5f4bbcf61e7e42e20e034031e5 [0,0,0,1,0,0|3,0,0]=4 3290 B11R1.356 CCCCCNC(C)C1CC1 ae4eaeaa2b97650d76a21edc67277a31 [0,0,0,1,0,0|2,0,1]=4 3291 B11R1.356 CCCCCN[C@@H](C)C1CC1 9da28a2c4f4f6d3d6b7e2948d6a1e89c [0,0,0,1,0,0|2,0,1]=4 3292 B11R1.356 CCCCCN[C@H](C)C1CC1 897e5b8eea5e76f2d1f937a88c8c3d20 [0,0,0,1,0,0|2,0,1]=4 3293 B11R1.356 CCCCCOC(C)C1CC1 599d265d007e84791abf64930f8bcf6d [0,0,0,1,0,0|1,0,1]=3 3294 B11R1.356 CCCCCO[C@@H](C)C1CC1 3df8d533355acfd295846adc87e4810f [0,0,0,1,0,0|1,0,1]=3 3295 B11R1.356 CCCCCO[C@H](C)C1CC1 36941cc9742cdb833a51d95ae0176360 [0,0,0,1,0,0|1,0,1]=3 3296 B11R1.356 CCCCNCC(=O)C1CC1 61a433dc91a224d4fcf6f3d948bc77de [0,0,0,1,0,0|2,0,0]=3 3297 B11R1.356 CCCCOCC(=O)C1CC1 bfb5de48200038b3bb391bd2ea917749 [0,0,0,1,0,0|2,0,0]=3 3298 B11R1.356 CCCNCOC(=O)C1CC1 9103502bd22c746eb445f8a66f4b65cb [0,0,0,1,0,0|1,0,0]=2 3299 B11R1.356 CCCOCOC(=O)C1CC1 3a3923df6b28be4b17eea3ddafdc4628 [0,0,0,1,0,0|1,0,0]=2 3300 B11R1.356 CCOCCOC(C)C1CC1 308f06daa165f4ac6120f6e38e579b7e [0,0,0,1,0,0|2,0,1]=4 3301 B11R1.356 CCOCCO[C@@H](C)C1CC1 13dfdd2b2b772fbb126ffa7594ee0e32 [0,0,0,1,0,0|2,0,1]=4 3302 B11R1.356 CCOCCO[C@H](C)C1CC1 c55fb26a0ad580746e49044fccadb253 [0,0,0,1,0,0|2,0,1]=4 3303 B11R1.356 CCOCOCC(=O)C1CC1 d47b9bb8ff1901eed21837fc7b95459a [0,0,0,1,0,0|3,0,0]=4 3304 B11R1.356 CCSCCOC(C)C1CC1 3ec5702642b1e985104eeca2bc7a1698 [0,0,0,1,0,0|2,0,1]=4 3305 B11R1.356 CCSCCO[C@@H](C)C1CC1 e7371ce17bc2b0257fe1e6d99de15c43 [0,0,0,1,0,0|2,0,1]=4 3306 B11R1.356 CCSCCO[C@H](C)C1CC1 1b4efe57d623541fe0e96df4b82feb06 [0,0,0,1,0,0|2,0,1]=4 3307 B11R1.356 COCCCOC(C)C1CC1 4c29a25f52c8f24e38c8030c94717d0d [0,0,0,1,0,0|2,0,1]=4 3308 B11R1.356 COCCCO[C@@H](C)C1CC1 16c8b042feb2f00f156da23ef43a904d [0,0,0,1,0,0|2,0,1]=4 3309 B11R1.356 COCCCO[C@H](C)C1CC1 6eaf0f9d69d90d8f445b4661b1da924e [0,0,0,1,0,0|2,0,1]=4 3310 B11R1.356 COCCNCC(=O)C1CC1 c94d897697d49e3fd28e8575a4e86504 [0,0,0,1,0,0|3,0,0]=4 3311 B11R1.356 COCCOCC(=O)C1CC1 57cf9d6b7514a7ef323662dbccb48f23 [0,0,0,1,0,0|3,0,0]=4 3312 B11R1.356 COCOCOC(=O)C1CC1 9a76151f22462155fd6c8be899e44345 [0,0,0,1,0,0|2,0,0]=3 3313 B11R1.356 CSCCCOC(C)C1CC1 5001d6e3979496c6295d47ebfd282eed [0,0,0,1,0,0|2,0,1]=4 3314 B11R1.356 CSCCCO[C@@H](C)C1CC1 daf6585f57bb80112f4cb6bc8d47528f [0,0,0,1,0,0|2,0,1]=4 3315 B11R1.356 CSCCCO[C@H](C)C1CC1 724db513f5854ff8636f2046d93b6c60 [0,0,0,1,0,0|2,0,1]=4 3316 B11R1.356 CSCCNCC(=O)C1CC1 611087bb859bebaa538214b3dc0d994e [0,0,0,1,0,0|3,0,0]=4 3317 B11R1.356 CSCCOCC(=O)C1CC1 e4961c12db240bfbb61392c5102b4068 [0,0,0,1,0,0|3,0,0]=4 3318 B11R1.356 C[C@@H](OCCCCF)C1CC1 35c83e74e48775d44fa36afbc7534486 [0,0,0,1,0,0|2,0,1]=4 3319 B11R1.356 C[C@H](OCCCCF)C1CC1 51865543724a500f0014c965c858208f [0,0,0,1,0,0|2,0,1]=4 3320 B11R1.356 N#CCNCOC(=O)C1CC1 b2f32ccfbd08d110315875be341b3af8 [0,0,0,1,0,0|2,0,1]=4 3321 B11R1.356 N#CCOCOC(=O)C1CC1 ecde78d0bfd98aafe964cd8ccc7b34d3 [0,0,0,1,0,0|2,0,1]=4 3322 B11R1.356 O=C(CNCCCCl)C1CC1 8d8fbe76f24700ed22c6ae7d9d3ec047 [0,0,0,1,0,0|3,0,0]=4 3323 B11R1.356 O=C(CNCCCO)C1CC1 29232e2a4d89353038ed75493fb7839d [0,0,0,1,0,0|3,0,0]=4 3324 B11R1.356 O=C(COCCCF)C1CC1 6bef7421804431aa4d1e7c642d6e12d6 [0,0,0,1,0,0|3,0,0]=4 3325 B11R1.356 O=C(COCCCS)C1CC1 326da6225b9a6a821f128af859d142e3 [0,0,0,1,0,0|3,0,0]=4 3326 B11R1.356 O=C(OCNCCBr)C1CC1 16003de66e9efb6ee81cf6a62ea1a268 [0,0,0,1,0,0|2,0,0]=3 3327 B11R1.356 O=C(OCNCCF)C1CC1 b62f2480e5f5a8f697f25f87ec250cf0 [0,0,0,1,0,0|2,0,0]=3 3328 B11R1.356 O=C(OCNCCI)C1CC1 a994ee871231c6db0252481449578601 [0,0,0,1,0,0|2,0,0]=3 3329 B11R1.356 O=C(OCNCCO)C1CC1 eb78e13d4231156ad6af15a4c91c84ec [0,0,0,1,0,0|2,0,0]=3 3330 B11R1.356 O=C(OCNCCS)C1CC1 ec80eacf9625ba9997164274d714676b [0,0,0,1,0,0|2,0,0]=3 3331 B11R1.356 O=C(OCOCCS)C1CC1 40a49eb29af6846bc8d2814c4f532c85 [0,0,0,1,0,0|2,0,0]=3 3332 B11R1.360 CCCCCN1C(CC1C)C 27e48728f65e920ef2f8d4e7ba9330c7 [0,0,0,1,0,0|2,0,1]=4 3333 B11R1.360 CCCCCN1[C@@H](C[C@@H]1C)C fc5b16b095ba4fb368a4a2742db50dda [0,0,0,1,0,0|2,0,1]=4 3334 B11R1.360 CCCCCN1[C@@H](C[C@H]1C)C d886a12d57ceaf99afa30a897baf19fe [0,0,0,1,0,0|2,0,1]=4 3335 B11R1.360 CCCCCN1[C@H](C[C@@H]1C)C 4cfdd33d41f0d7312bc515bcd944557a [0,0,0,1,0,0|2,0,1]=4 3336 B11R1.899 CCCCCNC1(CCC1)C a76994ac4a7b48d54cc66d016c25bf15 [0,0,0,1,0,0|2,0,1]=4 3337 B11R1.949 CC1CC(=O)NCCN1CF e58ae95035b9751671f1ec0689839b36 [0,0,0,1,0,0|3,0,0]=4 3338 B11R1.949 CC1CC(=O)NCCN1CO 5171741f5167f7452f43dfed21427ef6 [0,0,0,1,0,0|3,0,0]=4 3339 B11R1.949 CCN1CCNC(=O)CC1C e9a3a48bacb57126db7dfbcc20e26947 [0,0,0,1,0,0|2,0,0]=3 3340 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [2,0,0,0,0,0|2,0,0]=4 3341 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [2,0,0,0,0,0|2,0,0]=4 3342 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [2,0,0,0,0,0|2,0,0]=4 3343 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [2,0,0,0,0,0|2,0,0]=4 3344 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [2,0,0,0,0,0|2,0,0]=4 3345 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [2,0,0,0,0,0|1,1,0]=4 3346 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [2,0,0,0,0,0|1,1,0]=4 3347 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [2,0,0,0,0,0|1,1,0]=4 3348 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [2,0,0,0,0,0|1,1,0]=4 3349 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [2,0,0,0,0,0|2,0,0]=4 3350 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [2,0,0,0,0,0|1,0,0]=3 3351 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [2,0,0,0,0,0|2,0,0]=4 3352 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [2,0,0,0,0,0|2,0,0]=4 3353 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [2,0,0,0,0,0|2,0,0]=4 3354 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [2,0,0,0,0,0|2,0,0]=4 3355 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [2,0,0,0,0,0|2,0,0]=4 3356 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [2,0,0,0,0,0|0,1,0]=3 3357 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [2,0,0,0,0,0|1,0,1]=4 3358 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [2,0,0,0,0,0|1,0,1]=4 3359 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [2,0,0,0,0,0|1,0,1]=4 3360 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [2,0,0,0,0,0|2,0,0]=4 3361 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [2,0,0,0,0,0|2,0,0]=4 3362 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [2,0,0,0,0,0|2,0,0]=4 3363 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [2,0,0,0,0,0|2,0,0]=4 3364 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [2,0,0,0,0,0|0,0,2]=4 3365 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [2,0,0,0,0,0|0,0,2]=4 3366 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [2,0,0,0,0,0|0,0,2]=4 3367 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [2,0,0,0,0,0|0,0,2]=4 3368 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [2,0,0,0,0,0|0,0,2]=4 3369 B8R0.4 CC#CCCOCCC 387cb960b2fced33dd26ab6a4fb5ee8c [2,0,0,0,0,0|0,0,2]=4 3370 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [2,0,0,0,0,0|1,0,1]=4 3371 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [2,0,0,0,0,0|1,0,1]=4 3372 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [2,0,0,0,0,0|0,0,2]=4 3373 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [2,0,0,0,0,0|1,0,1]=4 3374 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [2,0,0,0,0,0|0,0,2]=4 3375 B8R0.4 CCC#CCOCCC 4e180024a47b40b4debdbd4f1d487e6a [2,0,0,0,0,0|0,0,2]=4 3376 B8R0.4 CCC/C=C/COCC 194c2fe9a034aa9429bf8b431746f7e5 [2,0,0,0,0,0|1,0,1]=4 3377 B8R0.4 CCC/C=C\COCC 6a1508b69f1117002ddef7a5ce847c5e [2,0,0,0,0,0|1,0,1]=4 3378 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [2,0,0,0,0,0|1,0,1]=4 3379 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [2,0,0,0,0,0|1,0,1]=4 3380 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [2,0,0,0,0,0|2,0,0]=4 3381 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [2,0,0,0,0,0|1,0,0]=3 3382 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [2,0,0,0,0,0|2,0,0]=4 3383 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [2,0,0,0,0,0|2,0,0]=4 3384 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [2,0,0,0,0,0|2,0,0]=4 3385 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [2,0,0,0,0,0|2,0,0]=4 3386 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [2,0,0,0,0,0|2,0,0]=4 3387 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [2,0,0,0,0,0|2,0,0]=4 3388 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [2,0,0,0,0,0|1,0,1]=4 3389 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [2,0,0,0,0,0|1,0,1]=4 3390 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [2,0,0,0,0,0|0,0,0]=2 3391 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [2,0,0,0,0,0|1,0,0]=3 3392 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [2,0,0,0,0,0|1,0,0]=3 3393 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [2,0,0,0,0,0|1,0,0]=3 3394 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [2,0,0,0,0,0|1,0,0]=3 3395 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [2,0,0,0,0,0|1,0,1]=4 3396 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [2,0,0,0,0,0|0,0,1]=3 3397 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [2,0,0,0,0,0|1,0,1]=4 3398 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [2,0,0,0,0,0|1,0,1]=4 3399 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [2,0,0,0,0,0|1,0,1]=4 3400 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [2,0,0,0,0,0|1,0,1]=4 3401 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [2,0,0,0,0,0|1,0,1]=4 3402 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [2,0,0,0,0,0|2,0,0]=4 3403 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [2,0,0,0,0,0|2,0,0]=4 3404 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [2,0,0,0,0,0|2,0,0]=4 3405 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [2,0,0,0,0,0|2,0,0]=4 3406 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [2,0,0,0,0,0|2,0,0]=4 3407 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [2,0,0,0,0,0|2,0,0]=4 3408 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [2,0,0,0,0,0|2,0,0]=4 3409 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [2,0,0,0,0,0|2,0,0]=4 3410 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [2,0,0,0,0,0|1,0,1]=4 3411 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [2,0,0,0,0,0|1,0,1]=4 3412 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [2,0,0,0,0,0|1,0,0]=3 3413 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [2,0,0,0,0,0|1,0,0]=3 3414 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [2,0,0,0,0,0|1,0,0]=3 3415 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [2,0,0,0,0,0|1,0,0]=3 3416 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [2,0,0,0,0,0|1,0,0]=3 3417 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [2,0,0,0,0,0|2,0,0]=4 3418 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [2,0,0,0,0,0|2,0,0]=4 3419 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [2,0,0,0,0,0|1,0,0]=3 3420 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [2,0,0,0,0,0|2,0,0]=4 3421 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [2,0,0,0,0,0|1,0,0]=3 3422 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [2,0,0,0,0,0|1,1,0]=4 3423 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [2,0,0,0,0,0|2,0,0]=4 3424 B8R0.4 CCNCCOCCS c3388bd6ae086c9b8dbf3a86d3508eb7 [2,0,0,0,0,0|2,0,0]=4 3425 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [2,0,0,0,0,0|2,0,0]=4 3426 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [2,0,0,0,0,0|2,0,0]=4 3427 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [2,0,0,0,0,0|2,0,0]=4 3428 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [2,0,0,0,0,0|2,0,0]=4 3429 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [2,0,0,0,0,0|2,0,0]=4 3430 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [2,0,0,0,0,0|2,0,0]=4 3431 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [2,0,0,0,0,0|2,0,0]=4 3432 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [2,0,0,0,0,0|2,0,0]=4 3433 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [2,0,0,0,0,0|2,0,0]=4 3434 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [2,0,0,0,0,0|2,0,0]=4 3435 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [2,0,0,0,0,0|2,0,0]=4 3436 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [2,0,0,0,0,0|2,0,0]=4 3437 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [2,0,0,0,0,0|2,0,0]=4 3438 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [2,0,0,0,0,0|2,0,0]=4 3439 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [2,0,0,0,0,0|2,0,0]=4 3440 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [2,0,0,0,0,0|2,0,0]=4 3441 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [2,0,0,0,0,0|2,0,0]=4 3442 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [2,0,0,0,0,0|2,0,0]=4 3443 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [2,0,0,0,0,0|2,0,0]=4 3444 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [2,0,0,0,0,0|2,0,0]=4 3445 B8R0.4 FCCCCOCCF 17e41dc14ab54f79884ac156b3d1ba74 [2,0,0,0,0,0|2,0,0]=4 3446 B8R0.4 FCCCCOCCS e510e523279ca95973ccf48144b1bca7 [2,0,0,0,0,0|2,0,0]=4 3447 B8R0.4 FCCOCCCCS bc8da81f510b1c1aea4df0919b9f364c [2,0,0,0,0,0|2,0,0]=4 3448 B8R0.4 SCCCCOCCS 99ee8ef0ab9592fe877786d3b31651be [2,0,0,0,0,0|2,0,0]=4 3449 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [2,0,0,0,0,0|2,0,0]=4 3450 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [2,0,0,0,0,0|2,0,0]=4 3451 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [2,0,0,0,0,0|2,0,0]=4 3452 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [2,0,0,0,0,0|2,0,0]=4 3453 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [2,0,0,0,0,0|2,0,0]=4 3454 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [2,0,0,0,0,0|2,0,0]=4 3455 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [2,0,0,0,0,0|2,0,0]=4 3456 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [2,0,0,0,0,0|2,0,0]=4 3457 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [2,0,0,0,0,0|2,0,0]=4 3458 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [2,0,0,0,0,0|2,0,0]=4 3459 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [2,0,0,0,0,0|2,0,0]=4 3460 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [2,0,0,0,0,0|2,0,0]=4 3461 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [2,0,0,0,0,0|2,0,0]=4 3462 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [2,0,0,0,0,0|2,0,0]=4 3463 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [2,0,0,0,0,0|2,0,0]=4 3464 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [2,0,0,0,0,0|2,0,0]=4 3465 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [2,0,0,0,0,0|1,0,0]=3 3466 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [2,0,0,0,0,0|2,0,0]=4 3467 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [2,0,0,0,0,0|2,0,0]=4 3468 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [2,0,0,0,0,0|2,0,0]=4 3469 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [2,0,0,0,0,0|1,0,1]=4 3470 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [2,0,0,0,0,0|1,0,1]=4 3471 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [2,0,0,0,0,0|1,0,1]=4 3472 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [2,0,0,0,0,0|1,0,0]=3 3473 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [2,0,0,0,0,0|2,0,0]=4 3474 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [2,0,0,0,0,0|2,0,0]=4 3475 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [2,0,0,0,0,0|2,0,0]=4 3476 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [2,0,0,0,0,0|1,0,0]=3 3477 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [2,0,0,0,0,0|2,0,0]=4 3478 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [2,0,0,0,0,0|2,0,0]=4 3479 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [2,0,0,0,0,0|2,0,0]=4 3480 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [2,0,0,0,0,0|2,0,0]=4 3481 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [2,0,0,0,0,0|2,0,0]=4 3482 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [2,0,0,0,0,0|2,0,0]=4 3483 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [2,0,0,0,0,0|2,0,0]=4 3484 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [2,0,0,0,0,0|2,0,0]=4 3485 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [2,0,0,0,0,0|2,0,0]=4 3486 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [2,0,0,0,0,0|2,0,0]=4 3487 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [2,0,0,0,0,0|2,0,0]=4 3488 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [2,0,0,0,0,0|2,0,0]=4 3489 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [2,0,0,0,0,0|2,0,0]=4 3490 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [2,0,0,0,0,0|2,0,0]=4 3491 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [2,0,0,0,0,0|2,0,0]=4 3492 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [2,0,0,0,0,0|2,0,0]=4 3493 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [2,0,0,0,0,0|2,0,0]=4 3494 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [2,0,0,0,0,0|1,0,0]=3 3495 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [2,0,0,0,0,0|1,0,1]=4 3496 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [2,0,0,0,0,0|2,0,0]=4 3497 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [2,0,0,0,0,0|2,0,0]=4 3498 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [2,0,0,0,0,0|2,0,0]=4 3499 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [2,0,0,0,0,0|1,0,0]=3 3500 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [2,0,0,0,0,0|2,0,0]=4 3501 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [2,0,0,0,0,0|2,0,0]=4 3502 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [2,0,0,0,0,0|1,0,0]=3 3503 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [2,0,0,0,0,0|2,0,0]=4 3504 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [2,0,0,0,0,0|2,0,0]=4 3505 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [2,0,0,0,0,0|2,0,0]=4 3506 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [2,0,0,0,0,0|1,0,0]=3 3507 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [2,0,0,0,0,0|2,0,0]=4 3508 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [2,0,0,0,0,0|2,0,0]=4 3509 B8R0.7 COCOCOC(=O)C 54249d0e78c186a79ad9be3cc51e7aac [2,0,0,0,0,0|2,0,0]=4 3510 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [2,0,0,0,0,0|2,0,0]=4 3511 B10R0.2 CCCC(=O)CN(C)CCC ed9faa47710b4c8cbd4da864234d5bf1 [1,1,0,0,0,0|1,0,0]=3 3512 B10R0.2 CCCC(=O)CN(C)CCF 1ab4b1ae72c6b5ea5e90bd5dde4627ec [1,1,0,0,0,0|2,0,0]=4 3513 B10R0.2 CCCC(=O)CN(C)CCO 81b8fff8b10e42c28336d0547302e36f [1,1,0,0,0,0|2,0,0]=4 3514 B10R0.2 CCCC(=O)NC(C)CCC 56490631c48f2aca072c23f49ee9d058 [1,1,0,0,0,0|1,0,0]=3 3515 B10R0.2 CCCC(=O)NC(C)CCO 5919b60c107cc1ebaf9d386a0f33a7c3 [1,1,0,0,0,0|2,0,0]=4 3516 B10R0.2 CCCC(=O)NC(C)COC 03f2d6c28fcaf9c50b1441eb116940a4 [1,1,0,0,0,0|2,0,0]=4 3517 B10R0.2 CCCC(=O)N[C@@H](C)CCC 8e5c769688371942cde58e588e37dc9d [1,1,0,0,0,0|1,0,0]=3 3518 B10R0.2 CCCC(=O)N[C@@H](C)CCO 932b928501cefed5a897b0c541a84c74 [1,1,0,0,0,0|2,0,0]=4 3519 B10R0.2 CCCC(=O)N[C@@H](C)COC 32d1fede2fae362d50263839bfd066c4 [1,1,0,0,0,0|2,0,0]=4 3520 B10R0.2 CCCC(=O)N[C@H](C)CCO 194b81205d9e7b862e31fe13833f72fe [1,1,0,0,0,0|2,0,0]=4 3521 B10R0.2 CCCC(=O)N[C@H](C)COC 33c5d1f5df178ec4598f4c705fc15027 [1,1,0,0,0,0|2,0,0]=4 3522 B10R0.2 CCCC(=S)OC(C)CCC a1e27c222b99617f74081c2514499359 [1,1,0,0,0,0|0,1,0]=3 3523 B10R0.2 CCCC(=S)OC(C)COC 7774b4f3565fd7de1ff4d02d9b145efe [1,1,0,0,0,0|1,1,0]=4 3524 B10R0.2 CCCC(C)CN(C)CCC 203d548ebbc3c00597efaf2ef0ec012f [1,1,0,0,0,0|2,0,0]=4 3525 B10R0.2 CCCC(C)NC(=O)CCF c75651a0446867fa721b8be04398f841 [1,1,0,0,0,0|2,0,0]=4 3526 B10R0.2 CCCC(C)NC(=O)CCO a6465449ef301530ae7d40e780707a33 [1,1,0,0,0,0|2,0,0]=4 3527 B10R0.2 CCCC(C)NC(=O)CCS 37888992e4b4c91d972f05d2146acb68 [1,1,0,0,0,0|2,0,0]=4 3528 B10R0.2 CCCC(C)NC(=O)COC 80d5b2db690d4b3a34721723600b0eae [1,1,0,0,0,0|2,0,0]=4 3529 B10R0.2 CCCC(C)NC(=O)CSC 60a0dde5f0fb97ce04784b7dd4042df4 [1,1,0,0,0,0|2,0,0]=4 3530 B10R0.2 CCCC(C)OC(C)CCC e6ec8d46eb9bf5911ec844cefe4f2f0f [1,1,0,0,0,0|1,0,1]=4 3531 B10R0.2 CCCC(C)O[C@@H](C)CCC e5a8750ed6143b0892f00961458f282a [1,1,0,0,0,0|1,0,1]=4 3532 B10R0.2 CCCC(C)O[C@H](C)CCC 110c475fa89ee054a610c24ae05e9130 [1,1,0,0,0,0|1,0,1]=4 3533 B10R0.2 CCCN(C)CC(=O)COC 447919a6b503bb85e0648077d498f4fa [1,1,0,0,0,0|2,0,0]=4 3534 B10R0.2 CCCN(C)CC(=O)NCC e2cb8b8c354023ec13a0233080e3401f [1,1,0,0,0,0|2,0,0]=4 3535 B10R0.2 CCCN(C)CC(=O)OCC 6d6f653dbba79c33476d433e8e3e5947 [1,1,0,0,0,0|2,0,0]=4 3536 B10R0.2 CCC[C@H](C)NC(=O)CCF e475e4a781571e55175c590b3ea9f9cd [1,1,0,0,0,0|2,0,0]=4 3537 B10R0.2 CCC[C@H](C)NC(=O)CCO 2fe417e155c60a2b404a8aadb741f290 [1,1,0,0,0,0|2,0,0]=4 3538 B10R0.2 CCC[C@H](C)NC(=O)CCS d03b67e7e4e3e5fedfdca048be8e7b00 [1,1,0,0,0,0|2,0,0]=4 3539 B10R0.2 CCC[C@H](C)NC(=O)COC 98cc4d38fdc7658d5f12c1a8f33cae62 [1,1,0,0,0,0|2,0,0]=4 3540 B10R0.2 CCC[C@H](C)NC(=O)CSC a10a8f758c4607dca24c6c6481884f31 [1,1,0,0,0,0|2,0,0]=4 3541 B10R0.2 CCNC(C)CC(=O)OCC 7705f9df12f8bf9df9877f6b146d95df [1,1,0,0,0,0|2,0,0]=4 3542 B10R0.2 CCOC(=O)CC(C)OCC e868558c556c7c64bd1a79763f1f0c41 [1,1,0,0,0,0|2,0,0]=4 3543 B10R0.2 CCOC(=O)C[C@@H](C)OCC 658a64fd32faf34a2272bfe8b1820efa [1,1,0,0,0,0|2,0,0]=4 3544 B10R0.2 CCOC(=O)C[C@H](C)OCC 935bdffa769b2a9ffd1e721b074907b4 [1,1,0,0,0,0|2,0,0]=4 3545 B10R0.3 C=C(C)CCNC(=O)CCC afb7ac740c90404e17c253e5c073997c [1,1,0,0,0,0|1,0,1]=4 3546 B10R0.3 C=C(C)CCOC(=S)CCC 7d6870670521a10cfe23ba70d4b59ce4 [1,1,0,0,0,0|0,1,1]=4 3547 B10R0.3 C=C(C)CNCC(=O)CCC 068d9335d15f0a9692a8aa0a8b49b1c4 [1,1,0,0,0,0|1,0,1]=4 3548 B10R0.3 C=C(C)COCC(=O)CCC 003d5185bb33c292b7a4e452aacb00fa [1,1,0,0,0,0|1,0,1]=4 3549 B10R0.3 CC(C)CCNC(=O)CCF 63d8ff119e1bbfa8e62d4b4ca693f78c [1,1,0,0,0,0|2,0,0]=4 3550 B10R0.3 CC(C)CCNC(=O)CCO b7fa76776ce04caba125cc1d990df8fd [1,1,0,0,0,0|2,0,0]=4 3551 B10R0.3 CC(C)CCNC(=O)CCS ea27dd796f9b2c569ef1d32e32cd0231 [1,1,0,0,0,0|2,0,0]=4 3552 B10R0.3 CC(O)CCNC(=O)CCF 44bf75219d3cae25246ba854c8b89b04 [1,1,0,0,0,0|2,0,0]=4 3553 B10R0.3 CC(O)CCNC(=O)CCO 83f62a25cf6917fe3ca02610219dabc1 [1,1,0,0,0,0|2,0,0]=4 3554 B10R0.3 CC(O)CCNC(=O)CCS f4f5ca1eade9289110564107510579f8 [1,1,0,0,0,0|2,0,0]=4 3555 B10R0.3 CCCC(=O)CNCC(=O)C 2f2bca955c317c66027ee57e4b8faaa3 [1,1,0,0,0,0|1,0,1]=4 3556 B10R0.3 CCCC(=O)CNCC(C)C d6dbda926415cfa91fe09dacaed5a50b [1,1,0,0,0,0|1,0,0]=3 3557 B10R0.3 CCCC(=O)CNCC(C)O 8caf9004f6887c9f4fde44237fb38f37 [1,1,0,0,0,0|1,0,0]=3 3558 B10R0.3 CCCC(=O)CNCC(F)F 00412f49566b57c6220ec1287a2cfa5e [1,1,0,0,0,0|2,0,0]=4 3559 B10R0.3 CCCC(=O)CNC[C@@H](C)O 427570fe3164dc21a4ae2b59c46b65c3 [1,1,0,0,0,0|1,0,0]=3 3560 B10R0.3 CCCC(=O)CNC[C@H](C)O a58bca160ef266fd5766bbca5a179402 [1,1,0,0,0,0|1,0,0]=3 3561 B10R0.3 CCCC(=O)COCC(=O)C d084d6d5aefe17d20bd2d81df30cc1b6 [1,1,0,0,0,0|1,0,1]=4 3562 B10R0.3 CCCC(=O)COCC(C)C 2326b3f3fe2ad2caa1b98fc82b274e2b [1,1,0,0,0,0|1,0,0]=3 3563 B10R0.3 CCCC(=O)COCC(C)F c7a44fc7e123c35b89a8f946d579750e [1,1,0,0,0,0|1,0,0]=3 3564 B10R0.3 CCCC(=O)COCC(C)S 01de9397df788eae604c7442ce4404f0 [1,1,0,0,0,0|1,0,0]=3 3565 B10R0.3 CCCC(=O)COCC(F)F c8a36323cad4b55b882b7eae6ac315ed [1,1,0,0,0,0|2,0,0]=4 3566 B10R0.3 CCCC(=O)COC[C@@H](C)F 0224b09aea7b2e5f9cbe6dec30326650 [1,1,0,0,0,0|1,0,0]=3 3567 B10R0.3 CCCC(=O)COC[C@H](C)F fea9b07c67754b0d917921c012826a06 [1,1,0,0,0,0|1,0,0]=3 3568 B10R0.3 CCCC(=O)NCCC(C)C e171303c24d98f11696cb7898188a053 [1,1,0,0,0,0|1,0,0]=3 3569 B10R0.3 CCCC(=O)NCCC(C)O 435d9016502776865e9e7740d06dc2b2 [1,1,0,0,0,0|1,0,0]=3 3570 B10R0.3 CCCC(=O)NCCC(F)F 90766d09c0575f4ece910f5bbd8ce4e1 [1,1,0,0,0,0|2,0,0]=4 3571 B10R0.3 CCCC(=O)NCCN(C)C b879d7317da648cb08676edd66824f73 [1,1,0,0,0,0|2,0,0]=4 3572 B10R0.3 CCCC(=O)NCCS(=O)C f139ea336f1ef8ebfffc4e993a1ede56 [1,1,0,0,0,0|2,0,0]=4 3573 B10R0.3 CCCC(=O)NCC[C@@H](C)O fc63587775c8491198cda2d65c27060a [1,1,0,0,0,0|1,0,0]=3 3574 B10R0.3 CCCC(=O)NCC[C@H](C)O cac8a742c35c278f106b0c5e309642e0 [1,1,0,0,0,0|1,0,0]=3 3575 B10R0.3 CCCC(=O)OCOC(C)C b74821bfd7761e206a8fbeb9480f4296 [1,1,0,0,0,0|1,0,0]=3 3576 B10R0.3 CCCC(=S)OCCC(=O)C 3192852c8bc2834f8b9f3940ade8bd14 [1,1,0,0,0,0|0,1,1]=4 3577 B10R0.3 CCCC(=S)OCCC(C)C f87a8472ce883931995adcfbbae92853 [1,1,0,0,0,0|0,1,0]=3 3578 B10R0.3 CCCC(=S)OCCN(C)C ce610338482dbf1f001ff9932812a773 [1,1,0,0,0,0|1,1,0]=4 3579 B10R0.3 CCCC(=S)OCCS(=O)C c2c362b7b8cb1d0aedc9339ded101b60 [1,1,0,0,0,0|1,1,0]=4 3580 B10R0.3 CCCC(=S)OCOC(C)C e8b9fcad683d2ff1c13439ae32197e35 [1,1,0,0,0,0|1,1,0]=4 3581 B10R0.3 CCCC(C)OCCC(C)C 7f3c68a50dd56409c35aac3a2135109c [1,1,0,0,0,0|1,0,1]=4 3582 B10R0.3 CCCN(C)CCCC(C)C 231f713b6c52f6022e12909a8f96d55f [1,1,0,0,0,0|2,0,0]=4 3583 B10R0.3 CCCN(C)CCCC(C)O bcb8921018679fc023b0f411f18b9d7c [1,1,0,0,0,0|2,0,0]=4 3584 B10R0.3 CCC[C@@H](C)OCCC(C)C b998b137f877d71ecbf36c6f61cda26a [1,1,0,0,0,0|1,0,1]=4 3585 B10R0.3 CCC[C@H](C)OCCC(C)C 0b07aece7c8562a164231f84e6c3b8ce [1,1,0,0,0,0|1,0,1]=4 3586 B10R0.3 CCNC(=O)CCOC(C)C 821bc8f07bf1880dd7da04556bcfbaf2 [1,1,0,0,0,0|2,0,0]=4 3587 B10R0.3 CCNC(=O)CNCC(C)C 236a1dc2f39f6d2f2711bee31bfb3249 [1,1,0,0,0,0|2,0,0]=4 3588 B10R0.3 CCNC(=O)CNCC(C)O e21af5259da2cfb7fc72229a4c4516b5 [1,1,0,0,0,0|2,0,0]=4 3589 B10R0.3 CCNC(=O)CNC[C@@H](C)O 04653aa517250896ac8cf6b868382bcb [1,1,0,0,0,0|2,0,0]=4 3590 B10R0.3 CCNC(=O)CNC[C@H](C)O 7853dfa602206c37a162c6e10909c3d8 [1,1,0,0,0,0|2,0,0]=4 3591 B10R0.3 CCNC(=O)COCC(C)C 477acbeb8cc8b25b59d08131b680a641 [1,1,0,0,0,0|2,0,0]=4 3592 B10R0.3 CCNC(=O)COCC(C)F 374d7c352cb50b30398c39442f2e4485 [1,1,0,0,0,0|2,0,0]=4 3593 B10R0.3 CCNC(=O)COCC(C)S 964e1b380e75a15b4fb448fe2f72c881 [1,1,0,0,0,0|2,0,0]=4 3594 B10R0.3 CCNC(=O)COC[C@@H](C)F 06000575131b5913a91d77797270508c [1,1,0,0,0,0|2,0,0]=4 3595 B10R0.3 CCNC(=O)COC[C@H](C)F e737da41a92e48fcf0ae5a5998cfbb86 [1,1,0,0,0,0|2,0,0]=4 3596 B10R0.3 CCOC(=O)CCNC(C)C 1d850d9280acf3b63ac9aff043863c28 [1,1,0,0,0,0|2,0,0]=4 3597 B10R0.3 CCOC(=O)CCOC(C)C 2b191ccd2baac7216cc229f4f29030fe [1,1,0,0,0,0|2,0,0]=4 3598 B10R0.3 CCOC(=O)CNCC(C)C b3e6ebe933852f5ff64fb6764f5e0b0a [1,1,0,0,0,0|2,0,0]=4 3599 B10R0.3 CCOC(=O)CNCC(C)O 9fb464870826f03da21f2b03117e6ea6 [1,1,0,0,0,0|2,0,0]=4 3600 B10R0.3 CCOC(=O)CNC[C@@H](C)O f1686031fb481639b214e11b7e59fc49 [1,1,0,0,0,0|2,0,0]=4 3601 B10R0.3 CCOC(=O)CNC[C@H](C)O 8877edba6d3b750453ee21c862c72a31 [1,1,0,0,0,0|2,0,0]=4 3602 B10R0.3 CCOC(=O)COCC(C)C 107ada615e2926e4792d3104d122bddb [1,1,0,0,0,0|2,0,0]=4 3603 B10R0.3 CCOC(=O)COCC(C)F 5ed2e95b94e9a779093703e03d9a6995 [1,1,0,0,0,0|2,0,0]=4 3604 B10R0.3 CCOC(=O)COCC(C)S b43c926d0d65539341d97aea5337a82a [1,1,0,0,0,0|2,0,0]=4 3605 B10R0.3 CCOC(=O)COC[C@@H](C)F e3bcac717ebd1cdcd458dd7c47e8be4a [1,1,0,0,0,0|2,0,0]=4 3606 B10R0.3 CCOC(=O)COC[C@H](C)F db542cc9892663143317b7ff73e1bc20 [1,1,0,0,0,0|2,0,0]=4 3607 B10R0.3 CCOC(=O)OCOC(C)C cf559709abb36b61b754d78ec81f484d [1,1,0,0,0,0|2,0,0]=4 3608 B10R0.3 CCSC(=O)OCOC(C)C a0faebb63db481b52ab60140692eb5c0 [1,1,0,0,0,0|2,0,0]=4 3609 B10R0.3 COCC(=O)CNCC(C)C 197236dd43253f73404bfab544bd5cd9 [1,1,0,0,0,0|2,0,0]=4 3610 B10R0.3 COCC(=O)CNCC(C)O 45080df13267181826130b917be2a3f7 [1,1,0,0,0,0|2,0,0]=4 3611 B10R0.3 COCC(=O)CNC[C@@H](C)O a19e0807690ae09c22a333c276cc8b94 [1,1,0,0,0,0|2,0,0]=4 3612 B10R0.3 COCC(=O)CNC[C@H](C)O ebe61a0d6ea6cb249920f9d969a8d411 [1,1,0,0,0,0|2,0,0]=4 3613 B10R0.3 COCC(=O)COCC(C)C 46c04f2b8f129ac2acccbf29c3a4329a [1,1,0,0,0,0|2,0,0]=4 3614 B10R0.3 COCC(=O)COCC(C)F 331fb6e8b87b2db9846d84afc3bdabe9 [1,1,0,0,0,0|2,0,0]=4 3615 B10R0.3 COCC(=O)COC[C@@H](C)F 66f7961651f292835cafb5356d970d6c [1,1,0,0,0,0|2,0,0]=4 3616 B10R0.3 COCC(=O)COC[C@H](C)F 21f281fbb0cbb53e38724020ef1a2e7f [1,1,0,0,0,0|2,0,0]=4 3617 B10R0.3 COCC(=O)NCCC(C)C f4260d1dd94d88e060424321231d91ad [1,1,0,0,0,0|2,0,0]=4 3618 B10R0.3 COCC(=O)NCCC(C)O a7603ac2f49528f66b46aa75e701367c [1,1,0,0,0,0|2,0,0]=4 3619 B10R0.3 COCC(=O)NCC[C@@H](C)O 32fb036af975bd24cad7b2895f27d80d [1,1,0,0,0,0|2,0,0]=4 3620 B10R0.3 COCC(=O)NCC[C@H](C)O 0a4b90d567bfabc800daa236691eccaa [1,1,0,0,0,0|2,0,0]=4 3621 B10R0.3 CSCC(=O)NCCC(C)C db8eb9c0e0e6d2707b3ffa978d5f5b83 [1,1,0,0,0,0|2,0,0]=4 3622 B10R0.3 CSCC(=O)NCCC(C)O 7848e46ae3808e0ac9d1efe18cbfd4dd [1,1,0,0,0,0|2,0,0]=4 3623 B10R0.3 CSCC(=O)NCC[C@@H](C)O d57c31401e2b1b463900225e10802c2e [1,1,0,0,0,0|2,0,0]=4 3624 B10R0.3 CSCC(=O)NCC[C@H](C)O a77f0322c4a11e039227a28e2626e4e3 [1,1,0,0,0,0|2,0,0]=4 3625 B10R0.3 C[C@@H](O)CCNC(=O)CCF 5d942b71f30ee5bb5b506a8e530c16a6 [1,1,0,0,0,0|2,0,0]=4 3626 B10R0.3 C[C@@H](O)CCNC(=O)CCO 2ae5cb4a4c415b6bf6da4a8ef184c522 [1,1,0,0,0,0|2,0,0]=4 3627 B10R0.3 C[C@@H](O)CCNC(=O)CCS 432196bb14ac1402e33ec9699dd4e236 [1,1,0,0,0,0|2,0,0]=4 3628 B10R0.3 C[C@H](O)CCNC(=O)CCF 64b04acb93a1730976c7d1257fe03e5e [1,1,0,0,0,0|2,0,0]=4 3629 B10R0.3 C[C@H](O)CCNC(=O)CCO d233aaf5f171aeb9d874c61ed6e4d942 [1,1,0,0,0,0|2,0,0]=4 3630 B10R0.3 C[C@H](O)CCNC(=O)CCS c40466dd1c4f545a251381c498a9e210 [1,1,0,0,0,0|2,0,0]=4 3631 B10R0.6 C=C(C)CC(=O)NCCCC 8755696ec9cf3464dac3064a60dd6b8a [1,1,0,0,0,0|1,0,1]=4 3632 B10R0.6 CC(C)CC(=O)CNCCBr 5e50b194db21003f6657fd9283f45f22 [1,1,0,0,0,0|2,0,0]=4 3633 B10R0.6 CC(C)CC(=O)CNCCF b03813d1619c61aec3d6db6da44bfa6d [1,1,0,0,0,0|2,0,0]=4 3634 B10R0.6 CC(C)CC(=O)CNCCI 79e03cc4f8c6b10e221bbf5f76f6935c [1,1,0,0,0,0|2,0,0]=4 3635 B10R0.6 CC(C)CC(=O)CNCCO 77d47800be2288e08c1f88770ee8d092 [1,1,0,0,0,0|2,0,0]=4 3636 B10R0.6 CC(C)CC(=O)CNCCS c69e4b64e88b78d74c71c8fcde527623 [1,1,0,0,0,0|2,0,0]=4 3637 B10R0.6 CC(C)CC(=O)COCCF 4ec54aeebcae8a32953028dd7679397c [1,1,0,0,0,0|2,0,0]=4 3638 B10R0.6 CC(C)CC(=O)COCCS cf7d1d26e3c4613629441336248dad72 [1,1,0,0,0,0|2,0,0]=4 3639 B10R0.6 CC(C)CC(=O)NCCCCl 472c1f3ca12d44d3050cca2e68c43859 [1,1,0,0,0,0|2,0,0]=4 3640 B10R0.6 CC(C)CC(=O)NCCCO 8c99f9ce536c5b44a8f0bad5107132ff [1,1,0,0,0,0|2,0,0]=4 3641 B10R0.6 CC(O)CC(=O)NCCCCl 58b0dcf744b816482a1124b01d1c1cee [1,1,0,0,0,0|2,0,0]=4 3642 B10R0.6 CC(O)CC(=O)NCCCO 9ff3a00bd271b36fca97f5d8eb67854d [1,1,0,0,0,0|2,0,0]=4 3643 B10R0.6 CCCCCN(C)CC(C)C f9fc3472d400d85b2a46f0c906024916 [1,1,0,0,0,0|2,0,0]=4 3644 B10R0.6 CCCCCN(C)CC(C)O 901fef81c3595ff2c01b25c0d15a49c8 [1,1,0,0,0,0|2,0,0]=4 3645 B10R0.6 CCCCCN(C)C[C@@H](C)O afc2448e222a7091f88ee19e4f713057 [1,1,0,0,0,0|2,0,0]=4 3646 B10R0.6 CCCCCN(C)C[C@H](C)O d10accc63c31e841e5b492aed9733d0f [1,1,0,0,0,0|2,0,0]=4 3647 B10R0.6 CCCCNC(=O)CC(=O)C 00bd35636d398cf3ada227296de4129c [1,1,0,0,0,0|1,0,1]=4 3648 B10R0.6 CCCCNC(=O)CC(C)C 3363a95f899c4d1d2797ab0d53e6e066 [1,1,0,0,0,0|1,0,0]=3 3649 B10R0.6 CCCCNC(=O)CC(C)O 69d342c86e5eab398563e6e8e09634d6 [1,1,0,0,0,0|1,0,0]=3 3650 B10R0.6 CCCCNC(=O)CC(F)F 0f5fdd0f80cc18417b0625935966f63d [1,1,0,0,0,0|2,0,0]=4 3651 B10R0.6 CCCCNC(=O)CN(C)C 2277b0f8e5e27160757d71da573d4afe [1,1,0,0,0,0|2,0,0]=4 3652 B10R0.6 CCCCNC(=O)C[C@@H](C)O ab8e83b515ef0d7fc7a0f54f23eff3b8 [1,1,0,0,0,0|1,0,0]=3 3653 B10R0.6 CCCCNC(=O)C[C@H](C)O 29a1309b76801dcb4b96a6e826d2ece6 [1,1,0,0,0,0|1,0,0]=3 3654 B10R0.6 CCCCOC(C)CC(C)C 30222795e797652dedd77f4f8402fee4 [1,1,0,0,0,0|1,0,1]=4 3655 B10R0.6 CCCCO[C@@H](C)CC(C)C 9768e37772e493f567b9d9b4dbee377e [1,1,0,0,0,0|1,0,1]=4 3656 B10R0.6 CCCCO[C@H](C)CC(C)C 486d5c04f57633f6e44ee063c791613e [1,1,0,0,0,0|1,0,1]=4 3657 B10R0.6 CCCNCC(=O)CC(C)C 1ddb5bc8b60625117230ea69d77ad9af [1,1,0,0,0,0|1,0,0]=3 3658 B10R0.6 CCCNCC(=O)NC(C)C 0a23f6bba2ebfc76bacf01e286c2b8a2 [1,1,0,0,0,0|2,0,0]=4 3659 B10R0.6 CCCNCC(=O)OC(C)C 2fb375c8333c868a0ae70970623d321e [1,1,0,0,0,0|2,0,0]=4 3660 B10R0.6 CCCOCC(=O)CC(C)C b189f7aa06f5e5eb201f826b495694cc [1,1,0,0,0,0|1,0,0]=3 3661 B10R0.6 CCCOCC(=O)NC(C)C d5892aa65d4bcf34da58bd32a941fca8 [1,1,0,0,0,0|2,0,0]=4 3662 B10R0.6 CCCOCC(=O)OC(C)C 48ce383eaec39bd480e02f6e063a2e1a [1,1,0,0,0,0|2,0,0]=4 3663 B10R0.6 COCCNC(=O)CC(C)C 4e68289a447c9dde539173d014fab9db [1,1,0,0,0,0|2,0,0]=4 3664 B10R0.6 COCCNC(=O)CC(C)O dd56df07fb33cc4a2d4fce0a58c6545a [1,1,0,0,0,0|2,0,0]=4 3665 B10R0.6 COCCNC(=O)C[C@@H](C)O ade9627ac280384bb5c15e35b38ef4d8 [1,1,0,0,0,0|2,0,0]=4 3666 B10R0.6 COCCNC(=O)C[C@H](C)O b5ce220a0bdc8baeb6e545d76477f4ca [1,1,0,0,0,0|2,0,0]=4 3667 B10R0.6 COCOCC(=O)CC(C)C 77c5d33e8fd7066d7d9aaedaa224bf1d [1,1,0,0,0,0|2,0,0]=4 3668 B10R0.6 CSCCNC(=O)CC(C)C b6ff69a7c17d8938b8b4acdd7e6222f5 [1,1,0,0,0,0|2,0,0]=4 3669 B10R0.6 CSCCNC(=O)CC(C)O c3146d3179ffaafbf935dfb512b50e9d [1,1,0,0,0,0|2,0,0]=4 3670 B10R0.6 CSCCNC(=O)C[C@@H](C)O c2ab799ecb5248b0b6c104ef999755bd [1,1,0,0,0,0|2,0,0]=4 3671 B10R0.6 CSCCNC(=O)C[C@H](C)O 82d927f26bcda51e345da129148631ff [1,1,0,0,0,0|2,0,0]=4 3672 B10R0.6 C[C@@H](O)CC(=O)NCCCCl 83dca3c2718000aad897ec32c332da2c [1,1,0,0,0,0|2,0,0]=4 3673 B10R0.6 C[C@@H](O)CC(=O)NCCCO 3c856bec81de28e743120ca1d0ac12bb [1,1,0,0,0,0|2,0,0]=4 3674 B10R0.6 C[C@H](O)CC(=O)NCCCCl cca23ff2a4093b8579be812fdb0611a5 [1,1,0,0,0,0|2,0,0]=4 3675 B10R0.6 C[C@H](O)CC(=O)NCCCO 69358177a94b5e43426f63ef4c1c67a2 [1,1,0,0,0,0|2,0,0]=4 3676 B10R0.19 CCCC(=O)N(C)CCCO aa526b2cb34561ea37f14fc606f15b54 [1,1,0,0,0,0|2,0,0]=4 3677 B10R0.19 CCCC(=O)N(C)CCOC 5fee7231bfc5953066c981c54b1ddc91 [1,1,0,0,0,0|2,0,0]=4 3678 B10R0.19 CCCC(=O)N(C)CCSC 61727274333cc9fb15271abbb1d84beb [1,1,0,0,0,0|2,0,0]=4 3679 B10R0.19 CCCCC(C)N(C)CCC 3dd555de828073303328b989478847b5 [1,1,0,0,0,0|2,0,0]=4 3680 B10R0.19 CCCCN(C)C(=O)CCC 2b7b784470b8b7ff831c528c223e6a34 [1,1,0,0,0,0|1,0,0]=3 3681 B10R0.19 CCCCN(C)C(=O)CCF 391e477ab1fb6a69251f8957ca28e495 [1,1,0,0,0,0|2,0,0]=4 3682 B10R0.19 CCCCN(C)C(=O)CCO 38d92cdad79d05905c316479ef7e8763 [1,1,0,0,0,0|2,0,0]=4 3683 B10R0.19 CCCCN(C)C(=O)CCS afb13be8e05a3692f482a3be73f1fe23 [1,1,0,0,0,0|2,0,0]=4 3684 B10R0.19 CCCCN(C)C(=O)COC 2577def73493edeac0c4ed538d627414 [1,1,0,0,0,0|2,0,0]=4 3685 B10R0.19 CCCCN(C)C(=O)CSC 68573d7f429ecb339090cdbe2bbbc786 [1,1,0,0,0,0|2,0,0]=4 3686 B10R0.19 CCCNC(=O)C(=O)CCC 5f1ca2ad77e4e87193cbe96fbe565f08 [1,1,0,0,0,0|1,0,1]=4 3687 B10R0.19 CCCNC(C)C(=O)NCC 4d8a751697c0aafd9a4a6523aa2d78a0 [1,1,0,0,0,0|2,0,0]=4 3688 B10R0.19 CCCNC(C)C(=O)OCC a5bc76108a07c2d666e42f51eaeeddad [1,1,0,0,0,0|2,0,0]=4 3689 B10R0.19 CCCNC(F)C(=O)OCC 5b25cec6bdd3ca76df5dbdfb7f6f2cee [1,1,0,0,0,0|2,0,0]=4 3690 B10R0.19 CCCN[C@@H](C)C(=O)NCC a00c96ce6051441db2313a4ef1a99527 [1,1,0,0,0,0|2,0,0]=4 3691 B10R0.19 CCCN[C@@H](C)C(=O)OCC 8307fc251a428f5e5cd7764df108d7f4 [1,1,0,0,0,0|2,0,0]=4 3692 B10R0.19 CCCN[C@H](C)C(=O)OCC e3baecfd69e367b3a0331595e9b279fc [1,1,0,0,0,0|2,0,0]=4 3693 B10R0.19 CCCOC(C)C(=O)NCC 663a3ae454ef80b37fef1892bf90e0da [1,1,0,0,0,0|2,0,0]=4 3694 B10R0.19 CCCOC(C)C(=O)OCC ab8ff289244dec834ca22da0f5d8b6d4 [1,1,0,0,0,0|2,0,0]=4 3695 B10R0.19 CCCOC(F)C(=O)OCC a0370e8810575cf9bdcdb7d5afcd7c6f [1,1,0,0,0,0|2,0,0]=4 3696 B10R0.19 CCCO[C@@H](C)C(=O)OCC d090f23ed408baa128a37269f58d1c53 [1,1,0,0,0,0|2,0,0]=4 3697 B10R0.19 CCCO[C@H](C)C(=O)OCC dcab65047931043055d0bc5167530869 [1,1,0,0,0,0|2,0,0]=4 3698 B10R0.19 CCNCC(C)C(=O)OCC bed894143b65f72480fec39bc03493cb [1,1,0,0,0,0|2,0,0]=4 3699 B10R0.19 CCOCC(C)C(=O)OCC 0f2424f972bf92769c6abc269b3fc887 [1,1,0,0,0,0|2,0,0]=4 3700 B10R0.24 C#CC(CCC)OCCCC 23500774d38d364371d1497dd663b850 [1,1,0,0,0,0|1,0,1]=4 3701 B10R0.24 C=CC(CCC)OCCCC 69ea78e3fe0936af58dac88120ef5c7b [1,1,0,0,0,0|1,0,1]=4 3702 B10R0.24 CCCCCN(C=O)CCC 8646abf1faa254eafc312659290c903a [1,1,0,0,0,0|1,0,0]=3 3703 B10R0.24 CCCCCN(C=O)CCO 96121951b82ae2714360bd22f86e4e05 [1,1,0,0,0,0|2,0,0]=4 3704 B10R0.24 CCCCCN(CC)CCC f4575dfb52731309a5e57b12315cb064 [1,1,0,0,0,0|2,0,0]=4 3705 B10R0.24 CCCCCN(CF)CCC c591c1c332e83e44ca21bca58f9fd128 [1,1,0,0,0,0|2,0,0]=4 3706 B10R0.24 CCCCCN(CO)CCC 3a4cd50340d217539e7062bbb02c7f9a [1,1,0,0,0,0|1,0,1]=4 3707 B10R0.24 CCCCOC(C#N)CCC db11ccbb3b62ec8b5907f34008a10bc2 [1,1,0,0,0,0|1,0,1]=4 3708 B10R0.24 CCCCOC(CC)CCC 5a3345c3fdcca9a094cc115eabb5cbe3 [1,1,0,0,0,0|1,0,1]=4 3709 B10R0.24 CCCCO[C@H](CC)CCC a393df8aa8abbe82bcb4c3927372605f [1,1,0,0,0,0|1,0,1]=4 3710 B10R0.83 C=C(CC)C(=O)NCCCC 9ecf90067c139255ad96e608ea3e7b91 [1,1,0,0,0,0|1,0,1]=4 3711 B10R0.83 CCC(C)C(=O)CNCCBr e4196cdca5c8ecdd474d643feddcf662 [1,1,0,0,0,0|2,0,0]=4 3712 B10R0.83 CCC(C)C(=O)CNCCF 2f25701d89edfb14175851176ccfd002 [1,1,0,0,0,0|2,0,0]=4 3713 B10R0.83 CCC(C)C(=O)CNCCI e3d712a0cb5312ca21a5828aca39735b [1,1,0,0,0,0|2,0,0]=4 3714 B10R0.83 CCC(C)C(=O)CNCCO 71b4810267726a0beba1c5c849506a5b [1,1,0,0,0,0|2,0,0]=4 3715 B10R0.83 CCC(C)C(=O)CNCCS 9ea924ed853e09b67371ee1128544e9f [1,1,0,0,0,0|2,0,0]=4 3716 B10R0.83 CCC(C)C(=O)COCCF aa3cd62fbe1a0e02255aa462b897d758 [1,1,0,0,0,0|2,0,0]=4 3717 B10R0.83 CCC(C)C(=O)COCCS ee079db34842c2bc16ebfdaad7fb90f0 [1,1,0,0,0,0|2,0,0]=4 3718 B10R0.83 CCC(C)C(=O)COCOC 691a68790a7c82e63da080573420a20f [1,1,0,0,0,0|2,0,0]=4 3719 B10R0.83 CCC(O)C(=O)NCCCCl 9ce76e2e16255cf45719b1b759f04822 [1,1,0,0,0,0|2,0,0]=4 3720 B10R0.83 CCC(O)C(=O)NCCCO 2406374cdf2c85dcb9e6f87639fd940b [1,1,0,0,0,0|2,0,0]=4 3721 B10R0.83 CCC(O)C(=O)NCCOC 76bd8e622cea127c938fdfa28035f1cc [1,1,0,0,0,0|2,0,0]=4 3722 B10R0.83 CCC(O)C(=O)NCCSC 0688f327066619e2c7e150d42feb589c [1,1,0,0,0,0|2,0,0]=4 3723 B10R0.83 CCCCCC(=O)N(C)CC 5faccaab2625fd396450487f4aa68930 [1,1,0,0,0,0|1,0,0]=3 3724 B10R0.83 CCCCCN(C)C(C)CC 7a2678ea826902adc6ed5ab4c6ffe7be [1,1,0,0,0,0|2,0,0]=4 3725 B10R0.83 CCCCNC(=O)C(=O)CC f70364b47518d044d4168c14edef081c [1,1,0,0,0,0|1,0,1]=4 3726 B10R0.83 CCCCNC(=O)C(C)OC b55068bf7a4db16e7cedc99e858c4871 [1,1,0,0,0,0|2,0,0]=4 3727 B10R0.83 CCCCNC(=O)C(C)SC 70fdddc2c637497f84b3a6ab01d732d6 [1,1,0,0,0,0|2,0,0]=4 3728 B10R0.83 CCCCNC(=O)C(O)CC 0bb7cae020f8d9a6f1ab0021bf8a298d [1,1,0,0,0,0|1,0,0]=3 3729 B10R0.83 CCCCNC(=O)C(O)CO d98d9133743f731cf08495d863edb929 [1,1,0,0,0,0|2,0,0]=4 3730 B10R0.83 CCCCNC(=O)N(C)CC 281153b38e5b0720f98fb991dbfaf202 [1,1,0,0,0,0|2,0,0]=4 3731 B10R0.83 CCCCNC(=O)[C@@H](C)OC e789ae086f9ed633afca669e35f42777 [1,1,0,0,0,0|2,0,0]=4 3732 B10R0.83 CCCCNC(=O)[C@@H](O)CC ce320a80fc74e2960ab5c1b56d0c1177 [1,1,0,0,0,0|1,0,0]=3 3733 B10R0.83 CCCCNC(=O)[C@@H](O)CO 8320f21a23ab3c4834e9f96d8866433e [1,1,0,0,0,0|2,0,0]=4 3734 B10R0.83 CCCCNC(=O)[C@@H](S)CC 86e97a222f204fadccdea11157c8e72f [1,1,0,0,0,0|1,0,0]=3 3735 B10R0.83 CCCCNC(=O)[C@H](C)OC ac821403e6615ab5c9463a45ef84f512 [1,1,0,0,0,0|2,0,0]=4 3736 B10R0.83 CCCCNC(=O)[C@H](O)CC ccbdd8cd94855236f2a70575c312a593 [1,1,0,0,0,0|1,0,0]=3 3737 B10R0.83 CCCCNC(=O)[C@H](O)CF 2c27eb611eb186e3e9278ea9236ea1e0 [1,1,0,0,0,0|2,0,0]=4 3738 B10R0.83 CCCCOC(C)C(C)CC 052825037807bf416b1248eb7bd312bd [1,1,0,0,0,0|1,0,1]=4 3739 B10R0.83 CCCNCC(=O)C(C)CC 421f60228013d880568584f5c10554a9 [1,1,0,0,0,0|1,0,0]=3 3740 B10R0.83 CCCNCC(=O)N(C)CC 08c814e45b22c77f25830d1554a003c2 [1,1,0,0,0,0|2,0,0]=4 3741 B10R0.83 CCCOCC(=O)C(C)CC be769a4148e4c3e25a48685acf6e03de [1,1,0,0,0,0|1,0,0]=3 3742 B10R0.83 CCCOCC(=O)N(C)CC fba66d9a26ef78111ecea3ac55d52b9c [1,1,0,0,0,0|2,0,0]=4 3743 B10R0.83 CCCSCC(=O)N(C)CC 657abe031aca5e49f408b4008ac5cca1 [1,1,0,0,0,0|2,0,0]=4 3744 B10R0.83 CCN(C)C(=O)CCCCF 8347edb5410cec08d11260ec9777165b [1,1,0,0,0,0|2,0,0]=4 3745 B10R0.83 CCN(C)C(=O)CCCCO 622ab477291ad551178150267858eda6 [1,1,0,0,0,0|2,0,0]=4 3746 B10R0.83 CCN(C)C(=O)CCCCS cd15be06df481bd0d2643b2c228d1289 [1,1,0,0,0,0|2,0,0]=4 3747 B10R0.83 CCN(C)C(=O)CCCOC 10f1ffa083d67261b48a4f0a95b9d007 [1,1,0,0,0,0|2,0,0]=4 3748 B10R0.83 CCN(C)C(=O)CCCSC 9aeabc5921997e9989927d01ed2ab9b2 [1,1,0,0,0,0|2,0,0]=4 3749 B10R0.83 CCOCCC(=O)N(C)CC 63ff32ab9e4178cf7e8288d7912ad643 [1,1,0,0,0,0|2,0,0]=4 3750 B10R0.83 CCSCCC(=O)N(C)CC 91d2f2b3adaca40666dd9be2071845cc [1,1,0,0,0,0|2,0,0]=4 3751 B10R0.83 CC[C@@H](O)C(=O)NCCCCl 1782330c8fc34e5e44373a9ccaeab0a2 [1,1,0,0,0,0|2,0,0]=4 3752 B10R0.83 CC[C@@H](O)C(=O)NCCCO ac6d552f2281f6fb11c74acdef51635d [1,1,0,0,0,0|2,0,0]=4 3753 B10R0.83 CC[C@@H](O)C(=O)NCCOC b923ff692a7553fe2bf7f5b93eae0dbf [1,1,0,0,0,0|2,0,0]=4 3754 B10R0.83 CC[C@@H](O)C(=O)NCCSC 0d5a3b831bd7ab7706b9d337df6267cd [1,1,0,0,0,0|2,0,0]=4 3755 B10R0.83 CC[C@H](O)C(=O)NCCCCl b61a2770e12c607a7c4c13079fe0da29 [1,1,0,0,0,0|2,0,0]=4 3756 B10R0.83 CC[C@H](O)C(=O)NCCCO 07e1ec970f418d460b98f9ea6d72bd3d [1,1,0,0,0,0|2,0,0]=4 3757 B10R0.83 CC[C@H](O)C(=O)NCCOC 12508f6e5ce78129e40dd490fd606d8b [1,1,0,0,0,0|2,0,0]=4 3758 B10R0.83 CC[C@H](O)C(=O)NCCSC 97369a1526f485b8e388718769cc5b54 [1,1,0,0,0,0|2,0,0]=4 3759 B10R0.83 CC[C@H](S)C(=O)NCCCCl 7a3054e875c4c61801bec677db59c13b [1,1,0,0,0,0|2,0,0]=4 3760 B10R0.83 CC[C@H](S)C(=O)NCCCO 306b56de5184e53997df2309b774e8e5 [1,1,0,0,0,0|2,0,0]=4 3761 B10R0.83 CC[C@H](S)C(=O)NCCOC df2bb1c0694eb9dfa23f664b32ee4b1d [1,1,0,0,0,0|2,0,0]=4 3762 B10R0.83 CC[C@H](S)C(=O)NCCSC 5ef56f1262bff7cdb07bd76d7eb1d7ec [1,1,0,0,0,0|2,0,0]=4 3763 B10R0.91 C#CCCC(=O)CCOCC 506a2383ca2595e8e13b670912e7ea9a [1,1,0,0,0,0|1,0,1]=4 3764 B10R0.91 C#CCCC(=O)NCCCC 5fe7a91e626a115b7fd20a7f46a80c67 [1,1,0,0,0,0|1,0,1]=4 3765 B10R0.91 C#CCCCC(=O)NCCC 00bffe1ead2ef89b93dfcf498f5db805 [1,1,0,0,0,0|0,0,2]=4 3766 B10R0.91 C#CCNC(=O)CCCCC 3a9539c168538be171be7576ea899a5d [1,1,0,0,0,0|0,0,2]=4 3767 B10R0.91 C/C=C/CC(=O)NCCCC 36087e9f780b7b5769d5a09c52717782 [1,1,0,0,0,0|1,0,1]=4 3768 B10R0.91 C=CCCC(=O)NCCCC c179eac9e1b3e18e9a6dfaa5dad688c2 [1,1,0,0,0,0|1,0,1]=4 3769 B10R0.91 C=CCCCC(=O)NCCC 711c26831a61ec4c93ba9b4bcdfa02df [1,1,0,0,0,0|0,0,2]=4 3770 B10R0.91 CC#CCC(=O)NCCCC 820fba93e19e4e4d93f26dd4d797f9b5 [1,1,0,0,0,0|1,0,1]=4 3771 B10R0.91 CC#CCCC(=O)NCCC a69a6537b22482b96f5a4f4081226422 [1,1,0,0,0,0|0,0,2]=4 3772 B10R0.91 CC/C=C/C(=O)NCCCC c9d7698c45e961917c65b16fe10c228c [1,1,0,0,0,0|1,0,1]=4 3773 B10R0.91 CC/C=C/CC(=O)NCCC b0c6d67b89af1fa4f0f3663914f15094 [1,1,0,0,0,0|0,0,2]=4 3774 B10R0.91 CC/C=C\C(=O)NCCCC e763bdcbf0afee106f8b1aa0242ce88a [1,1,0,0,0,0|1,0,1]=4 3775 B10R0.91 CC/C=C\CC(=O)NCCC 9766dbc28eb370933ff877484a58deff [1,1,0,0,0,0|0,0,2]=4 3776 B10R0.91 CC=CCCC(=O)NCCC df5f18c0a3dc2e8e1c690fac3e9556f8 [1,1,0,0,0,0|0,0,2]=4 3777 B10R0.91 CCC#CC(=O)NCCCC eb0d5ef3057613a48ba20ba5c7d222fb [1,1,0,0,0,0|1,0,1]=4 3778 B10R0.91 CCC/C=C/C(=O)NCCC d392f1b784a241f143e2ff6e6c67f397 [1,1,0,0,0,0|0,0,2]=4 3779 B10R0.91 CCC=CC(=O)NCCCC 7db747ae7974c9974839229645987c28 [1,1,0,0,0,0|1,0,1]=4 3780 B10R0.91 CCC=CCC(=O)NCCC b4918c368f0d79faa2e9aca1f273b1d5 [1,1,0,0,0,0|0,0,2]=4 3781 B10R0.91 CCCC#CC(=O)NCCC bd0faf45af765227fba34862d826c3f5 [1,1,0,0,0,0|0,0,2]=4 3782 B10R0.91 CCCC=CC(=O)NCCC 7f0c42e078f87c7991322000d746efa0 [1,1,0,0,0,0|0,0,2]=4 3783 B10R0.91 CCCCC(=O)NCCCCl 33a4b5638fdb717aefdcf6539c550173 [1,1,0,0,0,0|2,0,0]=4 3784 B10R0.91 CCCCC(=O)NCCCO a506e03803236b22b3ae12611eccbe7c [1,1,0,0,0,0|2,0,0]=4 3785 B10R0.91 CCCCC(=O)NCCOC 5ea5ee64f6f2aa6ec9332a0ab051832d [1,1,0,0,0,0|2,0,0]=4 3786 B10R0.91 CCCCC(=O)NCCSC 8fb8629ea12736b986b6b7c52fdb4519 [1,1,0,0,0,0|2,0,0]=4 3787 B10R0.91 CCCCCC(=O)CNC#N 59eec95b45132f0bb48e8a41497ffd57 [1,1,0,0,0,0|1,0,1]=4 3788 B10R0.91 CCCCCC(=O)NCC#N 99acbb342bd90a5ac939699382b951cb [1,1,0,0,0,0|1,0,1]=4 3789 B10R0.91 CCCCCC(=O)NCCBr fec600b048b9d57116c2b5748a328020 [1,1,0,0,0,0|1,0,0]=3 3790 B10R0.91 CCCCCC(=O)NCCC 476273c2f4455ec9a0886335ed7ef341 [1,1,0,0,0,0|0,0,0]=2 3791 B10R0.91 CCCCCC(=O)NCCF 37faddc206bd3b00f66a7e3bde923aa9 [1,1,0,0,0,0|1,0,0]=3 3792 B10R0.91 CCCCCC(=O)NCCI 369522553d6e91903d542a4f6550697a [1,1,0,0,0,0|1,0,0]=3 3793 B10R0.91 CCCCCC(=O)NCCO 92903432fe4eb247c90d29401a47cf8c [1,1,0,0,0,0|1,0,0]=3 3794 B10R0.91 CCCCCC(=O)NCCS 4780dcd137d64b0482a6c8e0700623f7 [1,1,0,0,0,0|1,0,0]=3 3795 B10R0.91 CCCCCC(C)COCC 147727976b090f1dbf99e69e5a726500 [1,1,0,0,0,0|1,0,1]=4 3796 B10R0.91 CCCCCC(C)NCCC 4156bf435f60ce49ce25cee90de14564 [1,1,0,0,0,0|1,0,1]=4 3797 B10R0.91 CCCCCC(C)OCCC 6eceaa249e6a01f1402a1eee4363e708 [1,1,0,0,0,0|1,0,1]=4 3798 B10R0.91 CCCCCN(C)CCCC ae015dd3bcf455f801be1b6a9ddc8016 [1,1,0,0,0,0|2,0,0]=4 3799 B10R0.91 CCCCCN(C)CCCF 2c4cb7fea4e45a08d0766b7f97fe9cf6 [1,1,0,0,0,0|2,0,0]=4 3800 B10R0.91 CCCCCN(C)CCCO 7c2b776f124070e940545f38821e057a [1,1,0,0,0,0|2,0,0]=4 3801 B10R0.91 CCCCCN(C)CCCS 9241895cd29c0b67c14a902e73d91ad4 [1,1,0,0,0,0|2,0,0]=4 3802 B10R0.91 CCCCCN(C)CCOC 8ecf4802ab17e9994dec88d6771e2716 [1,1,0,0,0,0|2,0,0]=4 3803 B10R0.91 CCCCCN(C)CCSC 6f477410e260fb1ed6ff14a785da6d41 [1,1,0,0,0,0|2,0,0]=4 3804 B10R0.91 CCCCCN(C)COCC 3e053a2cc3028e0b1a9571fd4c5717f2 [1,1,0,0,0,0|2,0,0]=4 3805 B10R0.91 CCCCC[C@@H](C)OCCC 3679ace7923186b0bcb825f4feeef123 [1,1,0,0,0,0|1,0,1]=4 3806 B10R0.91 CCCCC[C@H](C)NCCC 8398d593d667db0fd774223a271466cd [1,1,0,0,0,0|1,0,1]=4 3807 B10R0.91 CCCCC[C@H](C)OCCC 592af913246f5124bacdc41f8045c3f5 [1,1,0,0,0,0|1,0,1]=4 3808 B10R0.91 CCCCNC(=O)CCC#N 93c8bdd209851ca74100c559d61cba00 [1,1,0,0,0,0|1,0,1]=4 3809 B10R0.91 CCCCNC(=O)CCC=O 16ee83c32f77bd6cec353975767c82cb [1,1,0,0,0,0|1,0,1]=4 3810 B10R0.91 CCCCNC(=O)CCCC 5b6c1a774ebc9cf6b3cca95003cc944e [1,1,0,0,0,0|1,0,0]=3 3811 B10R0.91 CCCCNC(=O)CCCF 2018023c6b79f86bf88e0ae98d70f56e [1,1,0,0,0,0|1,0,0]=3 3812 B10R0.91 CCCCNC(=O)CCCS 1acf0f095503723b4d5b3e9341583954 [1,1,0,0,0,0|1,0,0]=3 3813 B10R0.91 CCCCNC(=O)CCOC 6f0c7655b0241fead5cc4be83519576f [1,1,0,0,0,0|1,0,0]=3 3814 B10R0.91 CCCCNC(=O)CCSC 6faaa951076ffc1f5066685857593ae9 [1,1,0,0,0,0|1,0,0]=3 3815 B10R0.91 CCCCNC(=O)CNCC c8a7f81d189a0f129789cdd44548f084 [1,1,0,0,0,0|1,0,0]=3 3816 B10R0.91 CCCCNC(=O)CNCF db89eb86f902596dde56fd91da4f9feb [1,1,0,0,0,0|2,0,0]=4 3817 B10R0.91 CCCCNC(=O)CNCO 4a393d383ee0c344b4ad1ec1b76c773b [1,1,0,0,0,0|2,0,0]=4 3818 B10R0.91 CCCCNC(=O)COCC cfe07acc4d092a3a207ae22828e3982e [1,1,0,0,0,0|1,0,0]=3 3819 B10R0.91 CCCCNC(=O)CSCC 833d758cb45613aad283ee5c135a2097 [1,1,0,0,0,0|1,0,0]=3 3820 B10R0.91 CCCCNC(=O)CSSC f360af222a3dccfabe61f8306373bde8 [1,1,0,0,0,0|2,0,0]=4 3821 B10R0.91 CCCCNC(=O)NCCC 3b1fa47b4b47d4900a6dc31a059123bf [1,1,0,0,0,0|1,0,0]=3 3822 B10R0.91 CCCCNC(=O)NCCF a47ebad6a4344a8cd6d64af41a55ef59 [1,1,0,0,0,0|2,0,0]=4 3823 B10R0.91 CCCCNC(=O)NCCN e4608c7e9103e64951b3b3e91bede52b [1,1,0,0,0,0|2,0,0]=4 3824 B10R0.91 CCCCNC(=O)NCCO 5ce976866a1b734a0c37601e6cd8a545 [1,1,0,0,0,0|2,0,0]=4 3825 B10R0.91 CCCCNC(=O)NCCS 811b9b16ef161d504f08855ff40cdae4 [1,1,0,0,0,0|2,0,0]=4 3826 B10R0.91 CCCCNC(=S)NCCC 2d59550982b008190310ae7fe640daa6 [1,1,0,0,0,0|1,1,0]=4 3827 B10R0.91 CCCCOC(=O)CNC#N 3f5aebe0994aba595c40caa3af8ca29b [1,1,0,0,0,0|1,0,1]=4 3828 B10R0.91 CCCCOC(=O)COCC d484bc8a8e1cb9f1bc7a12a52a402449 [1,1,0,0,0,0|0,0,0]=2 3829 B10R0.91 CCCCOC(=O)COCF 977c18c762e99407307de342070f2942 [1,1,0,0,0,0|1,0,0]=3 3830 B10R0.91 CCCCOC(C)CCCC 7752635d00cac0640dd2ec5dbf9e52a3 [1,1,0,0,0,0|1,0,1]=4 3831 B10R0.91 CCCCOC(C)CCOC ab13b185c3300f9772932662841bc2bf [1,1,0,0,0,0|1,0,1]=4 3832 B10R0.91 CCCCOC(C)CCSC 06224d71643498deb86013866ccd3170 [1,1,0,0,0,0|1,0,1]=4 3833 B10R0.91 CCCCOC(C)COCC af6114043e10ad13d96eda72b033e314 [1,1,0,0,0,0|1,0,1]=4 3834 B10R0.91 CCCCO[C@@H](C)CCCC c6c923102de856d0f10b7d64a1c257c9 [1,1,0,0,0,0|1,0,1]=4 3835 B10R0.91 CCCCO[C@H](C)CCCC 281397569e3850d5ee5ca2dbdbe8e8e7 [1,1,0,0,0,0|1,0,1]=4 3836 B10R0.91 CCCNC(=O)CCCC#N a08c5f31792f4e0cb1d5c764d02ffc67 [1,1,0,0,0,0|1,0,1]=4 3837 B10R0.91 CCCNC(=O)CCCC=O c163bedd16275fcbbd59f71dd0276dd1 [1,1,0,0,0,0|1,0,1]=4 3838 B10R0.91 CCCNC(=O)CCCCF 52b734d8c4d54e3a8a30180636c55039 [1,1,0,0,0,0|1,0,0]=3 3839 B10R0.91 CCCNC(=O)CCCCO 8579912c0ebfc7cd5885587b4db2a847 [1,1,0,0,0,0|1,0,0]=3 3840 B10R0.91 CCCNC(=O)CCCCS 835528c0eae9e13b3d035166dc558ccf [1,1,0,0,0,0|1,0,0]=3 3841 B10R0.91 CCCNC(=O)CCCOC a5e2d1ac29c442ac5d22076049e634e1 [1,1,0,0,0,0|1,0,0]=3 3842 B10R0.91 CCCNC(=O)CCCSC aa203c0b5604f7443b39ec139b1594a1 [1,1,0,0,0,0|1,0,0]=3 3843 B10R0.91 CCCNC(=O)CCOCC 346f5ddb484887d61ec41ac0a6570f48 [1,1,0,0,0,0|1,0,0]=3 3844 B10R0.91 CCCNC(=O)CCSCC 6fe01c91f2feda5344fc25c7a6443960 [1,1,0,0,0,0|1,0,0]=3 3845 B10R0.91 CCCNC(=O)CCSSC a586cedd66243b971adeb1cec9001124 [1,1,0,0,0,0|2,0,0]=4 3846 B10R0.91 CCCNC(=O)CNCCBr b4d77959e74b1aaf09637e4ac11815c1 [1,1,0,0,0,0|2,0,0]=4 3847 B10R0.91 CCCNC(=O)CNCCF ac592040b54edaff760e232d75588665 [1,1,0,0,0,0|2,0,0]=4 3848 B10R0.91 CCCNC(=O)CNCCI 9eb43510c82fa6c68c328f4f59f41ebf [1,1,0,0,0,0|2,0,0]=4 3849 B10R0.91 CCCNC(=O)CNCCO 88c13b2efc5eb89db657fde1c0255197 [1,1,0,0,0,0|2,0,0]=4 3850 B10R0.91 CCCNC(=O)CNCCS ebb79838d4bf29bd5bd94c9e74eac425 [1,1,0,0,0,0|2,0,0]=4 3851 B10R0.91 CCCNC(=O)CNCOC b894c6b11c1f5b7b92e2446ab086abbf [1,1,0,0,0,0|2,0,0]=4 3852 B10R0.91 CCCNC(=O)CNCSC 718edd5808d058178f3a6725a7515acc [1,1,0,0,0,0|2,0,0]=4 3853 B10R0.91 CCCNC(=O)COCCC 5ab770845b9dc23dab9a6ba7b394ac07 [1,1,0,0,0,0|1,0,0]=3 3854 B10R0.91 CCCNC(=O)COCCF 69c9a973dafe2c21ccb3d3c4ae054744 [1,1,0,0,0,0|2,0,0]=4 3855 B10R0.91 CCCNC(=O)COCCO 02df34206146785ad6594f0d2fd4c6ae [1,1,0,0,0,0|2,0,0]=4 3856 B10R0.91 CCCNC(=O)COCCS daa3be21706e609ecfdc5aa2216fb3fd [1,1,0,0,0,0|2,0,0]=4 3857 B10R0.91 CCCNC(=O)COCOC dee2f53d1b1287b7e47398f6938c6d74 [1,1,0,0,0,0|2,0,0]=4 3858 B10R0.91 CCCNC(=O)CSCCC c50ee73842a3ee50027f989f32b96f00 [1,1,0,0,0,0|1,0,0]=3 3859 B10R0.91 CCCNC(=O)NCCCN 0bf407d5632b4101f8cf633915f4e96d [1,1,0,0,0,0|2,0,0]=4 3860 B10R0.91 CCCNC(=O)NCCCO 63a6a2a86470ccd63a7e40c0827e9a44 [1,1,0,0,0,0|2,0,0]=4 3861 B10R0.91 CCCNC(=O)NCCOC c16b91ad1ebe777bb6a620f9870cf478 [1,1,0,0,0,0|2,0,0]=4 3862 B10R0.91 CCCNC(=O)NCCSC 049f212894e8dccddc3ee91084c21bf8 [1,1,0,0,0,0|2,0,0]=4 3863 B10R0.91 CCCNCC(=O)CCSC e99b18891702742d95fcbf5b0385ae01 [1,1,0,0,0,0|1,0,0]=3 3864 B10R0.91 CCCNCC(=O)NCCC 78f724898d671a946b9a4cbff0b855a1 [1,1,0,0,0,0|1,0,0]=3 3865 B10R0.91 CCCNCC(=O)NCCO e71fbeb67243be87941f698bb93adf9b [1,1,0,0,0,0|2,0,0]=4 3866 B10R0.91 CCCNCC(=O)OCCC 9e84091f29a5e60de22e3fa48f4a379f [1,1,0,0,0,0|1,0,0]=3 3867 B10R0.91 CCCOC(=O)CCOCC eb2288e0eb1e17d54ff3e8eb454761b3 [1,1,0,0,0,0|1,0,0]=3 3868 B10R0.91 CCCOC(=O)CCOCF e5231c5da343fd32d24ca5beab344c41 [1,1,0,0,0,0|2,0,0]=4 3869 B10R0.91 CCCOC(=O)CNCCBr a6925e3e7f30943d7dcc7fac64844ac4 [1,1,0,0,0,0|2,0,0]=4 3870 B10R0.91 CCCOC(=O)CNCCF 5a255f9ba955616a120bef5b8e263ed9 [1,1,0,0,0,0|2,0,0]=4 3871 B10R0.91 CCCOC(=O)CNCCI e94b4716e7884d6f08c9c3f4262158d6 [1,1,0,0,0,0|2,0,0]=4 3872 B10R0.91 CCCOC(=O)CNCCO fac9a011e620b586dab4b1bbde0f7f1c [1,1,0,0,0,0|2,0,0]=4 3873 B10R0.91 CCCOC(=O)CNCCS 6f0202421fe191eb229548231c18f72d [1,1,0,0,0,0|2,0,0]=4 3874 B10R0.91 CCCOC(=O)COCCF fd677765fc7901029836be54cc3a4d6e [1,1,0,0,0,0|2,0,0]=4 3875 B10R0.91 CCCOC(=O)COCCS 2d0e5d8fd198b8d342124bc68be406df [1,1,0,0,0,0|2,0,0]=4 3876 B10R0.91 CCCOC(=O)COCOC bee7b4d6d82b371b424906b8122478ef [1,1,0,0,0,0|2,0,0]=4 3877 B10R0.91 CCCOCC(=O)CCSC 804bf7535409b65ab8bc61b4a21bc9b3 [1,1,0,0,0,0|1,0,0]=3 3878 B10R0.91 CCCOCC(=O)NCCBr 83b089cb5c4dc1074e9ac5b638dca30c [1,1,0,0,0,0|2,0,0]=4 3879 B10R0.91 CCCOCC(=O)NCCF 5099dc3b6df417e9667fe16b8ff44ab5 [1,1,0,0,0,0|2,0,0]=4 3880 B10R0.91 CCCOCC(=O)NCCI 34e9cb6d25b3b9905b8136df9b2a6b17 [1,1,0,0,0,0|2,0,0]=4 3881 B10R0.91 CCCOCC(=O)NCCO c58631d1d90d9b0c4967336d1224f977 [1,1,0,0,0,0|2,0,0]=4 3882 B10R0.91 CCCOCC(=O)NCCS 8a845939d3bb21de636e16b0f52c78df [1,1,0,0,0,0|2,0,0]=4 3883 B10R0.91 CCCOCC(=O)OCCC fd9823e87b4eb570e52bf2a10033572b [1,1,0,0,0,0|1,0,0]=3 3884 B10R0.91 CCCSCC(=O)NCCBr 8c7d5c643c836cb7508e6e9baa5d0871 [1,1,0,0,0,0|2,0,0]=4 3885 B10R0.91 CCCSCC(=O)NCCF 50fb4c977bad5c23e1365a52248d4581 [1,1,0,0,0,0|2,0,0]=4 3886 B10R0.91 CCCSCC(=O)NCCI 2162e320c93abe7f22dec38b0965c8b7 [1,1,0,0,0,0|2,0,0]=4 3887 B10R0.91 CCCSCC(=O)NCCO a2ccfad2b1135b13d7ac183b9e9a4e32 [1,1,0,0,0,0|2,0,0]=4 3888 B10R0.91 CCCSCC(=O)NCCS eae3fd5400928ad32fc805b6bb51e2d6 [1,1,0,0,0,0|2,0,0]=4 3889 B10R0.91 CCOCC(=O)NCCCCl 1c5fe844ec1f78a372588a0dd9ba19e2 [1,1,0,0,0,0|2,0,0]=4 3890 B10R0.91 CCOCC(=O)NCCCO 73ecebf06bfaf05fcf351a839b737112 [1,1,0,0,0,0|2,0,0]=4 3891 B10R0.91 CCOCC(=O)NCCOC 6a17a354ed9d99dcdb3aee364e835bce [1,1,0,0,0,0|2,0,0]=4 3892 B10R0.91 CCOCC(=O)NCCSC 69b0e7bd02a25fede9c9260a702a20b4 [1,1,0,0,0,0|2,0,0]=4 3893 B10R0.91 CCOCCC(=O)NCCBr 349d2ca10c479c00debc44929a0b9d07 [1,1,0,0,0,0|2,0,0]=4 3894 B10R0.91 CCOCCC(=O)NCCF 45796d0d5e4a17e11c7420204be5ee79 [1,1,0,0,0,0|2,0,0]=4 3895 B10R0.91 CCOCCC(=O)NCCI c8419e3db062fd21b60429caf827c4e9 [1,1,0,0,0,0|2,0,0]=4 3896 B10R0.91 CCOCCC(=O)NCCO 0c48f59b882ed030de56b7d473f9d08d [1,1,0,0,0,0|2,0,0]=4 3897 B10R0.91 CCOCCC(=O)NCCS 7585474f429057d3ae22421edcd5cff8 [1,1,0,0,0,0|2,0,0]=4 3898 B10R0.91 CCSCC(=O)NCCCCl 16619a0caa424666c6a59d8f3ab7a63a [1,1,0,0,0,0|2,0,0]=4 3899 B10R0.91 CCSCC(=O)NCCCO 17a32710ac22e4a99af6a47df5d1b9d2 [1,1,0,0,0,0|2,0,0]=4 3900 B10R0.91 CCSCC(=O)NCCOC 39ec8b303fe26850fbaaa3dbc59d7c39 [1,1,0,0,0,0|2,0,0]=4 3901 B10R0.91 CCSCC(=O)NCCSC bda454679b331580e1a1c31d63580097 [1,1,0,0,0,0|2,0,0]=4 3902 B10R0.91 CCSCCC(=O)NCCBr e9638a12c7ca73077c1b72ca7887e845 [1,1,0,0,0,0|2,0,0]=4 3903 B10R0.91 CCSCCC(=O)NCCF cdc8827f4326dd47b2a9f6b4705e9752 [1,1,0,0,0,0|2,0,0]=4 3904 B10R0.91 CCSCCC(=O)NCCI a9cb61be72151a8f052bacdfeae6b9f1 [1,1,0,0,0,0|2,0,0]=4 3905 B10R0.91 CCSCCC(=O)NCCO 78ca03fec8a46f4d2c0726bc921c2e12 [1,1,0,0,0,0|2,0,0]=4 3906 B10R0.91 CCSCCC(=O)NCCS d7f114633068842d291a92607eb8a701 [1,1,0,0,0,0|2,0,0]=4 3907 B10R0.91 COCCC(=O)NCCCCl 4cfc99097fc092f2d3271625aa77c24c [1,1,0,0,0,0|2,0,0]=4 3908 B10R0.91 COCCC(=O)NCCCO 60610cf07fc72f4151953b16ec38236a [1,1,0,0,0,0|2,0,0]=4 3909 B10R0.91 COCCC(=O)NCCSC c1e50ed9f2fce5df6afae47fcc81580f [1,1,0,0,0,0|2,0,0]=4 3910 B10R0.91 COCCCC(=O)NCCBr 69579cef714b284df45530cd391998e3 [1,1,0,0,0,0|2,0,0]=4 3911 B10R0.91 COCCCC(=O)NCCF 8610c379e817fc83b88139c9da213fed [1,1,0,0,0,0|2,0,0]=4 3912 B10R0.91 COCCCC(=O)NCCI bbe05139d67451d253262b1a8abc85ce [1,1,0,0,0,0|2,0,0]=4 3913 B10R0.91 COCCCC(=O)NCCO 1ca4e331c899e404ce340d7125852550 [1,1,0,0,0,0|2,0,0]=4 3914 B10R0.91 COCCCC(=O)NCCS 6aa20831b553942e5121e2a5a533b916 [1,1,0,0,0,0|2,0,0]=4 3915 B10R0.91 COCCNC(=O)CCCF bb675c74f1478f8cc484cd546eb95196 [1,1,0,0,0,0|2,0,0]=4 3916 B10R0.91 COCCNC(=O)CCCS 1bc83e37b979e45d1459dfaccae155a3 [1,1,0,0,0,0|2,0,0]=4 3917 B10R0.91 COCCNC(=O)CCOC 49628ed3613ea8f314910694a3e08343 [1,1,0,0,0,0|2,0,0]=4 3918 B10R0.91 COCCNC(=O)CCSC d79753d91e2bd15e05ce9e83e2d1fe01 [1,1,0,0,0,0|2,0,0]=4 3919 B10R0.91 COCOCC(=O)CCSC 6402d57b1f90bfc08b77471f6f458fd3 [1,1,0,0,0,0|2,0,0]=4 3920 B10R0.91 CSCCC(=O)CNCCBr ed462bcd4e9d77ced3e9c486ef7b4453 [1,1,0,0,0,0|2,0,0]=4 3921 B10R0.91 CSCCC(=O)CNCCF b76e7f03c9fab58e9d9202fb2b7e5673 [1,1,0,0,0,0|2,0,0]=4 3922 B10R0.91 CSCCC(=O)CNCCI 1b81bf749a3a91bd9f909962c0356c1c [1,1,0,0,0,0|2,0,0]=4 3923 B10R0.91 CSCCC(=O)CNCCO deafc8766db36e787fcf704cb801720a [1,1,0,0,0,0|2,0,0]=4 3924 B10R0.91 CSCCC(=O)CNCCS 1b95bc3c250e9e79a9d59a36f72be809 [1,1,0,0,0,0|2,0,0]=4 3925 B10R0.91 CSCCC(=O)COCCF 3c2b36d879bdef75ce2c2559cae1d2f3 [1,1,0,0,0,0|2,0,0]=4 3926 B10R0.91 CSCCC(=O)COCCS f2aae06708d279893e4e356dc26380f1 [1,1,0,0,0,0|2,0,0]=4 3927 B10R0.91 CSCCC(=O)NCCCCl 24c9dcf0018a36e9a6aa8e98018a7181 [1,1,0,0,0,0|2,0,0]=4 3928 B10R0.91 CSCCC(=O)NCCCO c311576971c5628c54601762b2c2ff76 [1,1,0,0,0,0|2,0,0]=4 3929 B10R0.91 CSCCCC(=O)NCCBr 16c6407f316466ef2c30a9b2a9f4f694 [1,1,0,0,0,0|2,0,0]=4 3930 B10R0.91 CSCCCC(=O)NCCF 39fdf5352062a718f056bcf81f963cad [1,1,0,0,0,0|2,0,0]=4 3931 B10R0.91 CSCCCC(=O)NCCI 8a04a981a621cf0d21dda383e035d313 [1,1,0,0,0,0|2,0,0]=4 3932 B10R0.91 CSCCCC(=O)NCCO 668cf9338ab3e2523d24ea0718969596 [1,1,0,0,0,0|2,0,0]=4 3933 B10R0.91 CSCCCC(=O)NCCS c79fa2c79345973be82aa373fc9ec068 [1,1,0,0,0,0|2,0,0]=4 3934 B10R0.91 CSCCNC(=O)CCCF bc6e3b87addd1d5ae083441932958941 [1,1,0,0,0,0|2,0,0]=4 3935 B10R0.91 CSCCNC(=O)CCCS ab3470d66a5f0a54e6803ed4542a106f [1,1,0,0,0,0|2,0,0]=4 3936 B10R0.91 CSCCNC(=O)CCSC 4d9fd7d13b8966be8fbf009ce35931e0 [1,1,0,0,0,0|2,0,0]=4 3937 B10R0.91 O=C(CCCCF)NCCBr 899636aba359a465c06f93f99f092141 [1,1,0,0,0,0|2,0,0]=4 3938 B10R0.91 O=C(CCCCF)NCCF f21ac79ffc756ad22b28e3e7fefbe64b [1,1,0,0,0,0|2,0,0]=4 3939 B10R0.91 O=C(CCCCF)NCCI 7844a2ca692dc7dca3153a2c7a0d6ad8 [1,1,0,0,0,0|2,0,0]=4 3940 B10R0.91 O=C(CCCCF)NCCO 046e2acbb500ed018495a134f9bd0d91 [1,1,0,0,0,0|2,0,0]=4 3941 B10R0.91 O=C(CCCCF)NCCS 4a4b6e037dc7cea4584c4194f2ad460f [1,1,0,0,0,0|2,0,0]=4 3942 B10R0.91 O=C(CCCCO)NCCBr b7c9f480e1e59ebe4a533c746f47433d [1,1,0,0,0,0|2,0,0]=4 3943 B10R0.91 O=C(CCCCO)NCCF e32d9a6c722de4d9a992a4550b59b6d3 [1,1,0,0,0,0|2,0,0]=4 3944 B10R0.91 O=C(CCCCO)NCCI 7ad2aff4977ec9ad838fca2c90655771 [1,1,0,0,0,0|2,0,0]=4 3945 B10R0.91 O=C(CCCCO)NCCO 323cb3b6a3e52221c1c90102c8d5b244 [1,1,0,0,0,0|2,0,0]=4 3946 B10R0.91 O=C(CCCCO)NCCS 16f8b71945f3e8be5969be0ad59245bb [1,1,0,0,0,0|2,0,0]=4 3947 B10R0.91 O=C(CCCCS)NCCBr cc65fa075aa8cf94ac4584df1287123c [1,1,0,0,0,0|2,0,0]=4 3948 B10R0.91 O=C(CCCCS)NCCF 834b3be0eeb6b5890b4d23f2272c10a3 [1,1,0,0,0,0|2,0,0]=4 3949 B10R0.91 O=C(CCCCS)NCCI b2dc6156f533a5569d77d1770c8d1867 [1,1,0,0,0,0|2,0,0]=4 3950 B10R0.91 O=C(CCCCS)NCCO 024156c3cc63180e90c9e06e17fd4975 [1,1,0,0,0,0|2,0,0]=4 3951 B10R0.91 O=C(CCCCS)NCCS a2472c317a96761c78fb3d399765f396 [1,1,0,0,0,0|2,0,0]=4 3952 B10R0.91 O=C(CCCF)NCCCCl 2aa5c38e88c915e3b0f70c9a9fb205e3 [1,1,0,0,0,0|2,0,0]=4 3953 B10R0.91 O=C(CCCF)NCCCO 53b45cc0798c01ecdd0a631d3019c370 [1,1,0,0,0,0|2,0,0]=4 3954 B10R0.91 O=C(CCCS)NCCCCl e08b728979d13cb529e767a0ec246a93 [1,1,0,0,0,0|2,0,0]=4 3955 B10R0.91 O=C(CCCS)NCCCO 09206a1384d82aefe8cc7f5957fb30d6 [1,1,0,0,0,0|2,0,0]=4 3956 B10R0.108 C=C(CC)COC(=S)CCC bf55b49fe60fc523463d8bd9840fab01 [1,1,0,0,0,0|0,1,1]=4 3957 B10R0.108 CCC(C)CNC(=O)CCF 90b38ea11e2854365f1896ee9544b73d [1,1,0,0,0,0|2,0,0]=4 3958 B10R0.108 CCC(C)CNC(=O)CCO 5f206f039df278a75b56b0edae95b828 [1,1,0,0,0,0|2,0,0]=4 3959 B10R0.108 CCC(C)CNC(=O)CCS de5977d5673b4c0680bdffdb9b8ab0a7 [1,1,0,0,0,0|2,0,0]=4 3960 B10R0.108 CCC(C)CNC(=O)COC 78e2c0ce9040fe760a4cd8f80bf92bee [1,1,0,0,0,0|2,0,0]=4 3961 B10R0.108 CCC(C)CNC(=O)CSC 0d636f102a10f14e93ff6aff78c1a81a [1,1,0,0,0,0|2,0,0]=4 3962 B10R0.108 CCC(C)OCC(=O)COC 7cb3d83083307a492a74b6446043376d [1,1,0,0,0,0|2,0,0]=4 3963 B10R0.108 CCC(O)CNC(=O)CCF 3866eb9117ae829aeda688427bd4a86c [1,1,0,0,0,0|2,0,0]=4 3964 B10R0.108 CCC(O)CNC(=O)CCO bde11ebc6991f24eaea387ae244053c1 [1,1,0,0,0,0|2,0,0]=4 3965 B10R0.108 CCC(O)CNC(=O)CCS 4c6f2a1cde2251899f8ff0130fb68fb3 [1,1,0,0,0,0|2,0,0]=4 3966 B10R0.108 CCC(O)CNC(=O)COC 38158b49d948454e666fc21da10af1ab [1,1,0,0,0,0|2,0,0]=4 3967 B10R0.108 CCC(O)CNC(=O)CSC d1ea3886a493afdb60d22c58d9d5466e [1,1,0,0,0,0|2,0,0]=4 3968 B10R0.108 CCCC(=O)CNC(C)CC a628358924cf0b79502e0c17fcc59c4d [1,1,0,0,0,0|1,0,0]=3 3969 B10R0.108 CCCC(=O)CNC(C)CO 623d83aaa974eb29f1a3cccef65393c2 [1,1,0,0,0,0|2,0,0]=4 3970 B10R0.108 CCCC(=O)CN[C@@H](C)CC e2297104809933b73fd319df0c337fbc [1,1,0,0,0,0|1,0,0]=3 3971 B10R0.108 CCCC(=O)CN[C@@H](C)CO 0a0036253e336698c95c398c99a22178 [1,1,0,0,0,0|2,0,0]=4 3972 B10R0.108 CCCC(=O)CN[C@H](C)CC c3c6970e7c9f8cda9a95ac382a74d40d [1,1,0,0,0,0|1,0,0]=3 3973 B10R0.108 CCCC(=O)CN[C@H](C)CO 0e13f354d9bfaba0b0ec904cccc3572b [1,1,0,0,0,0|2,0,0]=4 3974 B10R0.108 CCCC(=O)COC(C)CC 1256581baab2cd6985d50630ae332d34 [1,1,0,0,0,0|1,0,0]=3 3975 B10R0.108 CCCC(=O)COC(C)CF ca44e2b5533cf51d62822ebc75b6206a [1,1,0,0,0,0|2,0,0]=4 3976 B10R0.108 CCCC(=O)CO[C@@H](C)CC d5dc5c90cafeede78ef651f2739a6258 [1,1,0,0,0,0|1,0,0]=3 3977 B10R0.108 CCCC(=O)CO[C@H](C)CC 1bd012501e9168658d73d06f9bb542ff [1,1,0,0,0,0|1,0,0]=3 3978 B10R0.108 CCCC(=O)NCC(Br)CBr eadbb2e43f5ff4980ce187bf00337279 [1,1,0,0,0,0|2,0,0]=4 3979 B10R0.108 CCCC(=O)NCC(C)CC 11a7d7b226318edbbf3f3676dccd97fc [1,1,0,0,0,0|1,0,0]=3 3980 B10R0.108 CCCC(=O)NCC(C)CO b78a36e813fb23c724929b442391aec1 [1,1,0,0,0,0|2,0,0]=4 3981 B10R0.108 CCCC(=O)NCC(F)CO e82acb7919e86cb5e0430b08f0a89d08 [1,1,0,0,0,0|2,0,0]=4 3982 B10R0.108 CCCC(=O)NCC(O)CC e1547e4df4f917bb79a24b5c3077c899 [1,1,0,0,0,0|1,0,0]=3 3983 B10R0.108 CCCC(=O)NCC(O)CO 0483b411667cc5f0ad96ba6bcc7a68b9 [1,1,0,0,0,0|2,0,0]=4 3984 B10R0.108 CCCC(=O)NC[C@@H](C)CC 0afec490b93d1eb381bf8bfbe16e3fea [1,1,0,0,0,0|1,0,0]=3 3985 B10R0.108 CCCC(=O)NC[C@@H](C)OC 152380dbc49127e78f4033824ad2fd2a [1,1,0,0,0,0|2,0,0]=4 3986 B10R0.108 CCCC(=O)NC[C@@H](F)CO 427c86ec144f8ddfb9dc1df40d352bb8 [1,1,0,0,0,0|2,0,0]=4 3987 B10R0.108 CCCC(=O)NC[C@@H](O)CO 2071a3b63cf42cc1bf372b50a34963e5 [1,1,0,0,0,0|2,0,0]=4 3988 B10R0.108 CCCC(=O)NC[C@H](C)CO 3235276eaa49b26ed831c09e835790df [1,1,0,0,0,0|2,0,0]=4 3989 B10R0.108 CCCC(=O)NC[C@H](C)OC b4e591d9ea7bf4fac674c5273fa02220 [1,1,0,0,0,0|2,0,0]=4 3990 B10R0.108 CCCC(=O)NC[C@H](F)CO 74319261c7010cdf44ff3073deca455f [1,1,0,0,0,0|2,0,0]=4 3991 B10R0.108 CCCC(=O)NC[C@H](O)CC 338b06d510eaf7035158174f3623662e [1,1,0,0,0,0|1,0,0]=3 3992 B10R0.108 CCCC(=O)NC[C@H](O)CO 89e3bf4751a24a33f5741b26663eb5f9 [1,1,0,0,0,0|2,0,0]=4 3993 B10R0.108 CCCC(=O)OCN(C)CC 6c76f8de0dd33f11a103f253719132f6 [1,1,0,0,0,0|1,0,0]=3 3994 B10R0.108 CCCC(=S)OCC(=O)CC 01afb188b1f393a85fea7cdbdfc7bfd7 [1,1,0,0,0,0|0,1,1]=4 3995 B10R0.108 CCCC(=S)OCC(C)CC e16cb751e3d09d9ad5b0df3db569de2c [1,1,0,0,0,0|0,1,0]=3 3996 B10R0.108 CCCC(=S)OCC(C)OC 6ba014b10c29da1d7d503d5654250e7d [1,1,0,0,0,0|1,1,0]=4 3997 B10R0.108 CCCC(=S)OCC(O)CO 186815b68a0f877af9b3f122e60bdaeb [1,1,0,0,0,0|1,1,0]=4 3998 B10R0.108 CCCC(=S)OC[C@@H](C)CC 19d37b226cb00bbdb75e432dcb10b8d2 [1,1,0,0,0,0|0,1,0]=3 3999 B10R0.108 CCCC(=S)OC[C@@H](C)OC 3dd6a3a6272ad2c48b9ca15a066415ec [1,1,0,0,0,0|1,1,0]=4 4000 B10R0.108 CCCC(=S)OC[C@@H](O)CO ef83682773bde37361c2868b04abc773 [1,1,0,0,0,0|1,1,0]=4 4001 B10R0.108 CCCC(=S)OC[C@H](C)CC 44ca62e53a524d9067426b0ec06152ea [1,1,0,0,0,0|0,1,0]=3 4002 B10R0.108 CCCC(=S)OC[C@H](C)OC 64650b05baac2a1fa06923187e68315f [1,1,0,0,0,0|1,1,0]=4 4003 B10R0.108 CCCC(=S)OC[C@H](O)CO 9119789ac71cabd965f6cf8e6c8cd017 [1,1,0,0,0,0|1,1,0]=4 4004 B10R0.108 CCCC(C)OCC(C)CC e5093c89c1432d4a9155e79086c96b90 [1,1,0,0,0,0|1,0,1]=4 4005 B10R0.108 CCCC(C)OC[C@@H](C)CC 980c0b26db6bf70f2741ca1d3a165335 [1,1,0,0,0,0|1,0,1]=4 4006 B10R0.108 CCCC(C)OC[C@H](C)CC 4e28d4c4d380c41714d33e0ac3b70f94 [1,1,0,0,0,0|1,0,1]=4 4007 B10R0.108 CCCN(C)CCC(C)CC f5a96392838671fbcb0194b339187ea6 [1,1,0,0,0,0|2,0,0]=4 4008 B10R0.108 CCC[C@@H](C)OCC(C)CC 3ee25dc6150f736c1e3e271643b5c87e [1,1,0,0,0,0|1,0,1]=4 4009 B10R0.108 CCC[C@@H](C)OC[C@@H](C)CC fdcb8b65860830c130b999bcb0d32d2f [1,1,0,0,0,0|1,0,1]=4 4010 B10R0.108 CCC[C@@H](C)OC[C@H](C)CC 2fffe216c57a18bcda16467753d64f9f [1,1,0,0,0,0|1,0,1]=4 4011 B10R0.108 CCC[C@H](C)OCC(C)CC 23eaaebe326cebeada9fc66cd7cb418a [1,1,0,0,0,0|1,0,1]=4 4012 B10R0.108 CCC[C@H](C)OC[C@@H](C)CC 9dc4471d597bb6f320fb2a0034e1c7be [1,1,0,0,0,0|1,0,1]=4 4013 B10R0.108 CCC[C@H](C)OC[C@H](C)CC 25aa255ed1fc427039484b8fb2d2e833 [1,1,0,0,0,0|1,0,1]=4 4014 B10R0.108 CCNC(=O)CCN(C)CC a5bb2c57effa5ff8abaac5c3b07945f1 [1,1,0,0,0,0|2,0,0]=4 4015 B10R0.108 CCNC(=O)CNC(C)CC 17118d0fc8c21ce320c29a0775647418 [1,1,0,0,0,0|2,0,0]=4 4016 B10R0.108 CCNC(=O)CN[C@@H](C)CC 96afd7b44f2f9e39911c9362dec121ae [1,1,0,0,0,0|2,0,0]=4 4017 B10R0.108 CCNC(=O)CN[C@H](C)CC 0eaafcf5afe7452521f2447b767356c5 [1,1,0,0,0,0|2,0,0]=4 4018 B10R0.108 CCNC(=O)COC(C)CC 1273c9479a94ab11fcb2900bc057da5d [1,1,0,0,0,0|2,0,0]=4 4019 B10R0.108 CCNC(=O)CO[C@@H](C)CC 43e4e9b57571e5b2268183b4612762a9 [1,1,0,0,0,0|2,0,0]=4 4020 B10R0.108 CCNC(=O)CO[C@H](C)CC 89402afd0315626028c4b3ac0e1c32b1 [1,1,0,0,0,0|2,0,0]=4 4021 B10R0.108 CCOC(=O)CCN(C)CC bc7fbb16102d873e6f0f2d3df2a1f365 [1,1,0,0,0,0|2,0,0]=4 4022 B10R0.108 CCOC(=O)CNC(C)CC d46fa60bd0ff368638f159a500d0ab11 [1,1,0,0,0,0|2,0,0]=4 4023 B10R0.108 CCOC(=O)CN[C@@H](C)CC 1307e59106bd58042bdd5ff77d08a18f [1,1,0,0,0,0|2,0,0]=4 4024 B10R0.108 CCOC(=O)CN[C@H](C)CC 86d61570b7e1983cda87ef92f9f90921 [1,1,0,0,0,0|2,0,0]=4 4025 B10R0.108 CCOC(=O)COC(C)CC 2306425ab51f4660a9ac8b49e518bd60 [1,1,0,0,0,0|2,0,0]=4 4026 B10R0.108 CCOC(=O)CO[C@@H](C)CC dddb522505023f177838e88edb68a848 [1,1,0,0,0,0|2,0,0]=4 4027 B10R0.108 CCOC(=O)CO[C@H](C)CC 6020ee214a85fd789131c5f0983729c0 [1,1,0,0,0,0|2,0,0]=4 4028 B10R0.108 CCOC(=O)OCN(C)CC e5cf37d77f8b082fb54d39684c51e485 [1,1,0,0,0,0|2,0,0]=4 4029 B10R0.108 CCSC(=O)OCN(C)CC 9fc08970d76a5d0ea0ab5995d324103b [1,1,0,0,0,0|2,0,0]=4 4030 B10R0.108 CC[C@@H](C)OCC(=O)COC 5ee417c56b1d43e4d70950221532da0e [1,1,0,0,0,0|2,0,0]=4 4031 B10R0.108 CC[C@@H](O)CNC(=O)CCF aaa219a27914bf1d172c54faa3b1e32c [1,1,0,0,0,0|2,0,0]=4 4032 B10R0.108 CC[C@@H](O)CNC(=O)CCO 2e59938b3b6729fe54a07275f5b02997 [1,1,0,0,0,0|2,0,0]=4 4033 B10R0.108 CC[C@@H](O)CNC(=O)CCS 0c3f2f0e6882f8a32156060583b021ff [1,1,0,0,0,0|2,0,0]=4 4034 B10R0.108 CC[C@@H](O)CNC(=O)COC 465ca9adc182a4642396e91f1e782fe8 [1,1,0,0,0,0|2,0,0]=4 4035 B10R0.108 CC[C@@H](O)CNC(=O)CSC 6bdab830640b58d515dc82df2ee50bc1 [1,1,0,0,0,0|2,0,0]=4 4036 B10R0.108 CC[C@H](C)CNC(=O)CCF 1dcb43a6ca27cb1bc9584064523665da [1,1,0,0,0,0|2,0,0]=4 4037 B10R0.108 CC[C@H](C)CNC(=O)CCO f198519df6a38780e5fb42bdf436c71b [1,1,0,0,0,0|2,0,0]=4 4038 B10R0.108 CC[C@H](C)CNC(=O)CCS 810c3a432f8028f2ac0f341ac42d13ea [1,1,0,0,0,0|2,0,0]=4 4039 B10R0.108 CC[C@H](C)CNC(=O)COC 3c99596929b796c1d0fa161c28f4680c [1,1,0,0,0,0|2,0,0]=4 4040 B10R0.108 CC[C@H](C)CNC(=O)CSC 95051d8afb14b977f4244a15a44b6fe0 [1,1,0,0,0,0|2,0,0]=4 4041 B10R0.108 CC[C@H](C)OCC(=O)COC 418c7b4e1977d92054479c59cef7f81b [1,1,0,0,0,0|2,0,0]=4 4042 B10R0.4 C=C(C)CCCOCCCC f556e23942a670bff2e32fedd43a44e3 [1,1,0,0,0,0|0,0,2]=4 4043 B10R0.4 C=C(C)CCOCCCCC bd422e129da3de0d5182ac59fdf2b775 [1,1,0,0,0,0|0,0,2]=4 4044 B10R0.4 CC(C)CCCOCCCF 32842131dd4e6bae299a603c9aafafad [1,1,0,0,0,0|1,0,1]=4 4045 B10R0.4 CC(C)CCCOCCCS 472aca12f415ca7a7f3024c60328c53c [1,1,0,0,0,0|1,0,1]=4 4046 B10R0.4 CC(C)CCOCCCCF 3de101a4d68eb0f151adfa8c068bf273 [1,1,0,0,0,0|1,0,1]=4 4047 B10R0.4 CC(C)CCOCCCCS 17e650b4a93e3864db53ab282168911c [1,1,0,0,0,0|1,0,1]=4 4048 B10R0.4 CCC/C=C/CNCC(C)C bf33c18b32fc4f099004cfa5dc97b5dc [1,1,0,0,0,0|2,0,0]=4 4049 B10R0.4 CCC/C=C/CNCC(C)O 88f4b9025d580f29c24456f15851a0eb [1,1,0,0,0,0|2,0,0]=4 4050 B10R0.4 CCC/C=C/CNC[C@@H](C)O 90fe731cc95a1bb87094f7ebc8d7568b [1,1,0,0,0,0|2,0,0]=4 4051 B10R0.4 CCC/C=C/CNC[C@H](C)O e0cd0f48aaec74442b1334061bd158b2 [1,1,0,0,0,0|2,0,0]=4 4052 B10R0.4 CCC/C=C/COCC(C)C 6aee71388aa393a00f90feabc9db34d1 [1,1,0,0,0,0|2,0,0]=4 4053 B10R0.4 CCC/C=C/COCC(C)F aa78cce1831b7a69d0dfafcfacf38862 [1,1,0,0,0,0|2,0,0]=4 4054 B10R0.4 CCC/C=C/COCC(C)S 58fe6b7b04b1178d6321b697f5da9208 [1,1,0,0,0,0|2,0,0]=4 4055 B10R0.4 CCC/C=C/COC[C@@H](C)F 37fb6827cd1dd490e069c28b40ee7de3 [1,1,0,0,0,0|2,0,0]=4 4056 B10R0.4 CCC/C=C/COC[C@H](C)F ff53ba64e19414cdcf7bef969f6c1e96 [1,1,0,0,0,0|2,0,0]=4 4057 B10R0.4 CCC/C=C\CCOC(C)C 6439288e8c74ee1a7d86b821ddbd6d80 [1,1,0,0,0,0|2,0,0]=4 4058 B10R0.4 CCC/C=C\CNCC(C)C 26df2bb6b4cc9569a34d081650155c19 [1,1,0,0,0,0|2,0,0]=4 4059 B10R0.4 CCC/C=C\CNCC(C)O 96b16a03c90d480780a847b4ffde19d9 [1,1,0,0,0,0|2,0,0]=4 4060 B10R0.4 CCC/C=C\CNC[C@@H](C)O 375a19b3c5843ff281c17a4b98513e64 [1,1,0,0,0,0|2,0,0]=4 4061 B10R0.4 CCC/C=C\CNC[C@H](C)O 969752c5358585189315eeb63e6fb388 [1,1,0,0,0,0|2,0,0]=4 4062 B10R0.4 CCC/C=C\COCC(C)C 8260a1bdecaedee6a7bc007730d26119 [1,1,0,0,0,0|2,0,0]=4 4063 B10R0.4 CCC/C=C\COCC(C)F aa1d690e84801e639ab5ae28f6cb5391 [1,1,0,0,0,0|2,0,0]=4 4064 B10R0.4 CCC/C=C\COCC(C)S 3ffd71efe386dc2fb2d0ba39881da682 [1,1,0,0,0,0|2,0,0]=4 4065 B10R0.4 CCC/C=C\COC[C@@H](C)F 3c47a45dbaed974ece92989d2cd02162 [1,1,0,0,0,0|2,0,0]=4 4066 B10R0.4 CCC/C=C\COC[C@H](C)F 8421d12e8670db35ffce37dd95322fc7 [1,1,0,0,0,0|2,0,0]=4 4067 B10R0.4 CCCCCCNCC(C)C 1a2401845907eef233dd59227daa3a68 [1,1,0,0,0,0|2,0,0]=4 4068 B10R0.4 CCCCCCNCC(C)O ecfd31bbb27d5c1b28261e6fc506454e [1,1,0,0,0,0|2,0,0]=4 4069 B10R0.4 CCCCCCNC[C@@H](C)O a3e47df10174193eaf313b4168d20a56 [1,1,0,0,0,0|2,0,0]=4 4070 B10R0.4 CCCCCCNC[C@H](C)O 2eab26b642fa93ab5109cc9827db8367 [1,1,0,0,0,0|2,0,0]=4 4071 B10R0.4 CCCCCCOCC(C)C b37c8621ec273a7e26019a803a340e20 [1,1,0,0,0,0|2,0,0]=4 4072 B10R0.4 CCCCCCOCC(C)F dd97ca256682a6fda25577541eecbd12 [1,1,0,0,0,0|2,0,0]=4 4073 B10R0.4 CCCCCCOCC(C)S acb8c91dce03e86d867592ce1fe72f17 [1,1,0,0,0,0|2,0,0]=4 4074 B10R0.4 CCCCCCOC[C@@H](C)F 1f30b59f94e8f4e91c0bf18fdb80d473 [1,1,0,0,0,0|2,0,0]=4 4075 B10R0.4 CCCCCCOC[C@H](C)F 3be682a709018eb770bbeb667cf57929 [1,1,0,0,0,0|2,0,0]=4 4076 B10R0.4 CCCCCNCCC(C)C 2083eb70c05c1741486a9f522b36bddf [1,1,0,0,0,0|1,0,1]=4 4077 B10R0.4 CCCCCNCCC(C)O 4e6a420569190052d94ccc1ca80cf85c [1,1,0,0,0,0|1,0,1]=4 4078 B10R0.4 CCCCCNCC[C@@H](C)O 3f00e28351ebf7b139dd29392d26fe0f [1,1,0,0,0,0|1,0,1]=4 4079 B10R0.4 CCCCCNCC[C@H](C)O 38a781c8f9bc47db57981751900f43d6 [1,1,0,0,0,0|1,0,1]=4 4080 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,1,0,0,0,0|0,0,2]=4 4081 B10R0.4 CCCCCOCCC(C)C 1aa9f5e40c826e008fbbf8f79c7f1fea [1,1,0,0,0,0|0,0,1]=3 4082 B10R0.4 CCCCCOCCC(F)F 8d7e702fe2461f122e465b548868eb7b [1,1,0,0,0,0|1,0,1]=4 4083 B10R0.4 CCCCCOCCN(C)C 316463ff546cb9d7401f931a893e13eb [1,1,0,0,0,0|1,0,1]=4 4084 B10R0.4 CCCCCOCCS(=O)C 3d066bbbe37fbbf288a2e425fa4215eb [1,1,0,0,0,0|1,0,1]=4 4085 B10R0.4 CCCCCOCOC(C)C 1441e4efb031c4107c38c6573e1ecab4 [1,1,0,0,0,0|1,0,1]=4 4086 B10R0.4 CCCCNCCCC(C)C 1e31d9dbabf6be9187dab46866ffb34e [1,1,0,0,0,0|1,0,1]=4 4087 B10R0.4 CCCCNCCCC(C)O e267dad3accc230faa3bc9e16d970474 [1,1,0,0,0,0|1,0,1]=4 4088 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,1,0,0,0,0|0,0,2]=4 4089 B10R0.4 CCCCOCCCC(C)C eabf9177db773ec6de5ecc0edcb5d082 [1,1,0,0,0,0|0,0,1]=3 4090 B10R0.4 CCCCOCCCN(C)C 3d03ebce4d0f7c18096b62da2a143ba7 [1,1,0,0,0,0|1,0,1]=4 4091 B10R0.4 CCCCOCCNC(C)C d43b4651be436e7a18a143ea0db5475c [1,1,0,0,0,0|1,0,1]=4 4092 B10R0.4 CCCCOCCOC(C)C 86aa7c8545daae2de2013b50e7e899da [1,1,0,0,0,0|1,0,1]=4 4093 B10R0.4 CCCCOCCSC(C)C 86724aa57c48003152df231ad69710c4 [1,1,0,0,0,0|1,0,1]=4 4094 B10R0.4 CCCCOCNCC(C)C fbf0edd18161c9cbcdf7d0b248f3b74c [1,1,0,0,0,0|1,0,1]=4 4095 B10R0.4 CCCCOCNCC(C)O e801f8fbb8dbf94952cf78a13997aeca [1,1,0,0,0,0|1,0,1]=4 4096 B10R0.4 CCCCOCNC[C@@H](C)O 21eb3572cca9b48817c622887eeb3000 [1,1,0,0,0,0|1,0,1]=4 4097 B10R0.4 CCCCOCNC[C@H](C)O 06bdb6bf0acd2ace0c8a3b2a16d610e6 [1,1,0,0,0,0|1,0,1]=4 4098 B10R0.4 CCCCOCOCC(C)C f76cb4f3e2df2a6ccb3df0291b6aa825 [1,1,0,0,0,0|1,0,1]=4 4099 B10R0.4 CCCCOCOCC(C)F cd34d4b694e2051b6a8d4e0268bbc610 [1,1,0,0,0,0|1,0,1]=4 4100 B10R0.4 CCCCOCOCC(C)S f3aaffcd03310a3e20b7d2fe1264264b [1,1,0,0,0,0|1,0,1]=4 4101 B10R0.4 CCCCOCOC[C@@H](C)F ee6e73d719ed609d566c2bfe17d34d6e [1,1,0,0,0,0|1,0,1]=4 4102 B10R0.4 CCCCOCOC[C@H](C)F be928def4baac0f42dbb5257ad9f3746 [1,1,0,0,0,0|1,0,1]=4 4103 B10R0.4 CCCNCCCCC(C)C f22e74f3c92982d86e30c1bb0f3509d3 [1,1,0,0,0,0|2,0,0]=4 4104 B10R0.4 CCCNCCCCC(C)O 2f69e7bc2a7ca500502a3e5f1c138b9b [1,1,0,0,0,0|2,0,0]=4 4105 B10R0.4 CCCNCCCC[C@@H](C)O 6ce0e83e6e0d1b17039df927d769e87a [1,1,0,0,0,0|2,0,0]=4 4106 B10R0.4 CCCOCCCCC(C)C f86f1fee85db6c4439132050b4d45955 [1,1,0,0,0,0|2,0,0]=4 4107 B10R0.4 CCOCCOCCC(C)C 923678b55c863171c27f9a49a36aeadc [1,1,0,0,0,0|1,0,1]=4 4108 B10R0.4 CCOCOCCCC(C)C 1dba96d729202cea16ab703ee03cbd52 [1,1,0,0,0,0|1,0,1]=4 4109 B10R0.4 CCSCCOCCC(C)C 4a2dd077b692621b2f0216e08aa23d96 [1,1,0,0,0,0|1,0,1]=4 4110 B10R0.4 COCCCOCCC(C)C 865d0faf2dcbbda3993a35f9cc52a096 [1,1,0,0,0,0|1,0,1]=4 4111 B10R0.4 COCCOCCCC(C)C 3e7429178e907c0608d22f5cf4f3163b [1,1,0,0,0,0|1,0,1]=4 4112 B10R0.4 CSCCCOCCC(C)C 0d917d595e4921f5004e30ae85d48259 [1,1,0,0,0,0|1,0,1]=4 4113 B10R0.4 CSCCOCCCC(C)C ae475609096bb18c03f0ff4e290fb9d9 [1,1,0,0,0,0|1,0,1]=4 4114 B10R0.71 C#CCCCCOCCCC 155c3f8eb84354a374d6f5b6dbe37f94 [1,1,0,0,0,0|0,0,2]=4 4115 B10R0.71 C#CCCCOCCCCC cc690d207da9b887d991987e9f43900d [1,1,0,0,0,0|0,0,2]=4 4116 B10R0.71 C/C=C/CCCOCCCC 80f6cb269c0f24c47f7493f0858d135b [1,1,0,0,0,0|0,0,2]=4 4117 B10R0.71 C/C=C/CCOCCCCC b01a3aac6d31bf1181d3412f98b352d1 [1,1,0,0,0,0|0,0,2]=4 4118 B10R0.71 C/C=C\CCCOCCCC fe2923e9d84b92616f7a73a5334d712d [1,1,0,0,0,0|0,0,2]=4 4119 B10R0.71 C=CCCCCOCCCC eb8efda51eb20afeb995d9abe3ad7654 [1,1,0,0,0,0|0,0,2]=4 4120 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [1,1,0,0,0,0|0,0,2]=4 4121 B10R0.71 CC#CCCCOCCCC 0cd09975349b87add68248cd144b30c2 [1,1,0,0,0,0|0,0,2]=4 4122 B10R0.71 CC#CCCOCCCCC b5ed7155c2adc6b90ea378c870b7c568 [1,1,0,0,0,0|0,0,2]=4 4123 B10R0.71 CC/C=C/CCOCCCC c8bbe4a116e9837c5acb0bd130d88747 [1,1,0,0,0,0|0,0,2]=4 4124 B10R0.71 CC/C=C/CNCCCCC 396ae7fd2aad2d3062225091f1ed8121 [1,1,0,0,0,0|1,0,1]=4 4125 B10R0.71 CC/C=C/COCCCCC 4244476ee625bb91d4c75005fa57b26a [1,1,0,0,0,0|0,0,1]=3 4126 B10R0.71 CC/C=C/COCCCCF 1dc81d22ea6c57418304e0917a0631f2 [1,1,0,0,0,0|1,0,1]=4 4127 B10R0.71 CC/C=C/COCCCCS 07e5800718cf1f4b5355166f60667667 [1,1,0,0,0,0|1,0,1]=4 4128 B10R0.71 CC/C=C/COCCCOC da9a60c9a4f386a7d1a509a02b8e1091 [1,1,0,0,0,0|1,0,1]=4 4129 B10R0.71 CC/C=C/COCCCSC 554c810278825b7f95800a92c8ae421b [1,1,0,0,0,0|1,0,1]=4 4130 B10R0.71 CC/C=C/COCCOCC 9a5afd7f01e126d7e19bfb079674ce6a [1,1,0,0,0,0|1,0,1]=4 4131 B10R0.71 CC/C=C/COCCSCC a16cb8768dc153c0d5da120184491196 [1,1,0,0,0,0|1,0,1]=4 4132 B10R0.71 CC/C=C\CCCCOCC 6f672bd2ab358cb454803e83d5c0e284 [1,1,0,0,0,0|1,0,1]=4 4133 B10R0.71 CC/C=C\CCCOCCC 7fa768d31f02c71335efb28537f1ed87 [1,1,0,0,0,0|1,0,1]=4 4134 B10R0.71 CC/C=C\CCNCCCC c4f059f6ebacdc59905230714b6eff68 [1,1,0,0,0,0|1,0,1]=4 4135 B10R0.71 CC/C=C\CCOCCCC 8e83903dc8b2dc055f80be84ab4a3d9c [1,1,0,0,0,0|0,0,2]=4 4136 B10R0.71 CC/C=C\COCCCCC 273210e5829d96509e829e222979bc8b [1,1,0,0,0,0|0,0,1]=3 4137 B10R0.71 CC/C=C\COCCCCF cceb6301c3fc703ee59d20a210d8e3fb [1,1,0,0,0,0|1,0,1]=4 4138 B10R0.71 CC/C=C\COCCCOC 2778db8b130f5c046c26bb8e26950712 [1,1,0,0,0,0|1,0,1]=4 4139 B10R0.71 CC/C=C\COCCCSC ffcfb2f3c5f9bdd080c465251703b682 [1,1,0,0,0,0|1,0,1]=4 4140 B10R0.71 CC/C=C\COCCOCC 1548c7429369ffcb40b777378cae9d6b [1,1,0,0,0,0|1,0,1]=4 4141 B10R0.71 CC/C=C\COCCSCC bf420840e62c6002d6099f83c76d210d [1,1,0,0,0,0|1,0,1]=4 4142 B10R0.71 CC=CCCCOCCCC b937b4ad4c5d1a608e7129c714e871ac [1,1,0,0,0,0|0,0,2]=4 4143 B10R0.71 CCC#CCCOCCCC 164797f680cff0f6ad3f9b55f3918282 [1,1,0,0,0,0|0,0,2]=4 4144 B10R0.71 CCC#CCOCCCCC 6cd027f55ffba37890269ac6de76cd41 [1,1,0,0,0,0|0,0,2]=4 4145 B10R0.71 CCC/C=C/CCCOCC 96c575cc0a2c58edec4b18e8b3051827 [1,1,0,0,0,0|1,0,0]=3 4146 B10R0.71 CCC/C=C/CCCOCF 98b0df28fed8e58ca594810e577c0b52 [1,1,0,0,0,0|2,0,0]=4 4147 B10R0.71 CCC/C=C/CNCCCC eb6f385e07ebf81c43b715a8e6898101 [1,1,0,0,0,0|1,0,0]=3 4148 B10R0.71 CCC/C=C/CNCCCCl 2a631264018e960a882a9c7d88e35448 [1,1,0,0,0,0|2,0,0]=4 4149 B10R0.71 CCC/C=C/CNCCCO 7b5b1f32f3ba47219ba367ef60e6a076 [1,1,0,0,0,0|2,0,0]=4 4150 B10R0.71 CCC/C=C/CNCCOC 1834877b3a02f74dd66b3368c830d003 [1,1,0,0,0,0|2,0,0]=4 4151 B10R0.71 CCC/C=C/CNCCSC cff9b66e330f122d2cb2e38a8625314a [1,1,0,0,0,0|2,0,0]=4 4152 B10R0.71 CCC/C=C/COCCCC 5cb7fad967976b46414fd1e0981df754 [1,1,0,0,0,0|1,0,0]=3 4153 B10R0.71 CCC/C=C/COCCCF fd38a60d8b4b3155ce3d8bd9b5a36fe0 [1,1,0,0,0,0|2,0,0]=4 4154 B10R0.71 CCC/C=C/COCCCS a3127fea6f7de2c2c1cc75ec845273ca [1,1,0,0,0,0|2,0,0]=4 4155 B10R0.71 CCC/C=C/COCCOC 8b48098d1b42b8217b38413e44362209 [1,1,0,0,0,0|2,0,0]=4 4156 B10R0.71 CCC/C=C/COCCSC a935db1c7efc6d83d03e08a390a1d1ce [1,1,0,0,0,0|2,0,0]=4 4157 B10R0.71 CCC/C=C/COCOCC d280135abd2c33aad6c1f6ebc51a0a61 [1,1,0,0,0,0|2,0,0]=4 4158 B10R0.71 CCC/C=C\CCCOCC 1c8765980afe95de3eca026e03130832 [1,1,0,0,0,0|1,0,0]=3 4159 B10R0.71 CCC/C=C\CCCOCF 50493cf0adac96e55ae6ed8db7b67534 [1,1,0,0,0,0|2,0,0]=4 4160 B10R0.71 CCC/C=C\CCOCCC affe8f34b74549b94b8274cb3a319479 [1,1,0,0,0,0|1,0,0]=3 4161 B10R0.71 CCC/C=C\CCOCCF 83ffd82ab19f1fef104785fb89831535 [1,1,0,0,0,0|2,0,0]=4 4162 B10R0.71 CCC/C=C\CCOCCS 205082f7fa7fb9e497dba53835e648e3 [1,1,0,0,0,0|2,0,0]=4 4163 B10R0.71 CCC/C=C\CCOCOC 4c902c7028d4a6b2ae5784ead2ad9e7f [1,1,0,0,0,0|2,0,0]=4 4164 B10R0.71 CCC/C=C\CCOCSC 9f821fff258192e14e0436b337398bed [1,1,0,0,0,0|2,0,0]=4 4165 B10R0.71 CCC/C=C\CNCCCC bec0667c6be34c83c909fc9cd36559c3 [1,1,0,0,0,0|1,0,0]=3 4166 B10R0.71 CCC/C=C\CNCCCCl dc7e58b4cb44aa8c77c570a0a7e547fa [1,1,0,0,0,0|2,0,0]=4 4167 B10R0.71 CCC/C=C\CNCCCO 0c1e5eb36810f8e1091abebdee101c49 [1,1,0,0,0,0|2,0,0]=4 4168 B10R0.71 CCC/C=C\CNCCOC 9b69ed27e484cd80c0b145d2676e3a75 [1,1,0,0,0,0|2,0,0]=4 4169 B10R0.71 CCC/C=C\CNCCSC ab8c372b9a872750ad9eecb39daab022 [1,1,0,0,0,0|2,0,0]=4 4170 B10R0.71 CCC/C=C\COCCCC 12552b98ae2ab17ee7aaf14497e6f771 [1,1,0,0,0,0|1,0,0]=3 4171 B10R0.71 CCC/C=C\COCCCF 8fd0bd7bf500cf190978432f91f83224 [1,1,0,0,0,0|2,0,0]=4 4172 B10R0.71 CCC/C=C\COCCCS 448e1ad6e452602c6124aecd9c2d58a7 [1,1,0,0,0,0|2,0,0]=4 4173 B10R0.71 CCC/C=C\COCCOC 07d68c8f2b746de5b5301333d471291c [1,1,0,0,0,0|2,0,0]=4 4174 B10R0.71 CCC/C=C\COCCSC 384ee6f65c09c5fab77e23a50b68f611 [1,1,0,0,0,0|2,0,0]=4 4175 B10R0.71 CCC/C=C\COCOCC c143e8b3ae3a1dcfbf1ffe3b381d116c [1,1,0,0,0,0|2,0,0]=4 4176 B10R0.71 CCCC#CCCOCCC 9d371ccc704f01f8e34c17fed94acae5 [1,1,0,0,0,0|1,0,1]=4 4177 B10R0.71 CCCC#CCOCCCC 3a9b7ab043d317d55165792d5b31d2df [1,1,0,0,0,0|0,0,2]=4 4178 B10R0.71 CCCC/C=C/CNCCC b5846262769f4576898e24ec596816c8 [1,1,0,0,0,0|2,0,0]=4 4179 B10R0.71 CCCC/C=C/COCCC 07c08b56120c97240fcfc821b0cfaf7e [1,1,0,0,0,0|2,0,0]=4 4180 B10R0.71 CCCC/C=C\CCOCC c0b86be5a318325f35923a807a0da0e5 [1,1,0,0,0,0|2,0,0]=4 4181 B10R0.71 CCCC/C=C\CNCCC 1ebafcf76c30e339500b071d8b77b007 [1,1,0,0,0,0|2,0,0]=4 4182 B10R0.71 CCCC/C=C\COCCC cacd342e00bdd06408172e2c8226f9fe [1,1,0,0,0,0|2,0,0]=4 4183 B10R0.71 CCCC=C=CCCOCC ecd2330b3e2fc365c563b385894a4c95 [1,1,0,0,0,0|1,0,1]=4 4184 B10R0.71 CCCCC/C=C/COCC d869a9967b36862cc7ff5868403bb25d [1,1,0,0,0,0|1,0,0]=3 4185 B10R0.71 CCCCC/C=C/COCF 173aafd765549e06cbff3bd6ae6fc78e [1,1,0,0,0,0|2,0,0]=4 4186 B10R0.71 CCCCCC#CCOCC caa22122c2b20cb5fe4be222e5ff2f55 [1,1,0,0,0,0|1,0,1]=4 4187 B10R0.71 CCCCCCCCNCC f45798325e076f51813ed9475990e935 [1,1,0,0,0,0|1,0,1]=4 4188 B10R0.71 CCCCCCCCOCC fdf9c57b26dc59eebf4df9f9dff7ab11 [1,1,0,0,0,0|1,0,1]=4 4189 B10R0.71 CCCCCCCNCCC 8f428c22239379f79b42eeff6f848027 [1,1,0,0,0,0|1,0,1]=4 4190 B10R0.71 CCCCCCCOCCC 2dbba9d2fa88b26583f5d2ac3d741b24 [1,1,0,0,0,0|1,0,1]=4 4191 B10R0.71 CCCCCCNCCCC 20be2e0525a624157bc2fad46d2186d5 [1,1,0,0,0,0|1,0,1]=4 4192 B10R0.71 CCCCCCNCCCCl 798c3b78fda1b44bfc2a5866fd849b4a [1,1,0,0,0,0|2,0,0]=4 4193 B10R0.71 CCCCCCNCCCF ec8ad93e9495e1afdc7ceb0355e5c789 [1,1,0,0,0,0|2,0,0]=4 4194 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [1,1,0,0,0,0|2,0,0]=4 4195 B10R0.71 CCCCCCNCCCS 8c1aea017c53a004a3a57f13df4016f5 [1,1,0,0,0,0|2,0,0]=4 4196 B10R0.71 CCCCCCNCCOC d8a9b2ae4f4d1a2408c43a2120d332fc [1,1,0,0,0,0|2,0,0]=4 4197 B10R0.71 CCCCCCNCCSC 03f05656133e75b7ef05cf7e7a9686cd [1,1,0,0,0,0|2,0,0]=4 4198 B10R0.71 CCCCCCNCOCC 0b2dadfdd556d2bf502aa4112d950603 [1,1,0,0,0,0|2,0,0]=4 4199 B10R0.71 CCCCCCOCCCC 938d0ec0b6adc0f1b39dbfc036e22e02 [1,1,0,0,0,0|0,0,1]=3 4200 B10R0.71 CCCCCCOCCCF 96181b976d7354be2077b197619bb942 [1,1,0,0,0,0|1,0,1]=4 4201 B10R0.71 CCCCCCOCCCS 5fa58b5367e16182182d2f61e5d955a0 [1,1,0,0,0,0|1,0,1]=4 4202 B10R0.71 CCCCCCOCCOC 498c1d974b36c5798a5345f99389e8d2 [1,1,0,0,0,0|1,0,1]=4 4203 B10R0.71 CCCCCCOCCSC a2fa5d10e923435988e5eb6eaf926cde [1,1,0,0,0,0|1,0,1]=4 4204 B10R0.71 CCCCCCOCOCC de7091207636fc19f355a981992b8eb3 [1,1,0,0,0,0|1,0,1]=4 4205 B10R0.71 CCCCCNCCCCC fc6b1fbee2ae20e668586a93426dce7b [1,1,0,0,0,0|1,0,1]=4 4206 B10R0.71 CCCCCNCCCCCl c701e49df4eef1470e682606de3ca8f1 [1,1,0,0,0,0|1,0,1]=4 4207 B10R0.71 CCCCCNCCCCF d279fc520ee48aeaa07407924d2d74d7 [1,1,0,0,0,0|1,0,1]=4 4208 B10R0.71 CCCCCNCCCCO 379ab0235e165758d05e13f64b0667e2 [1,1,0,0,0,0|1,0,1]=4 4209 B10R0.71 CCCCCNCCCCS d84e183bdfafbaad537c0d200ed48999 [1,1,0,0,0,0|1,0,1]=4 4210 B10R0.71 CCCCCNCCCOC 59c794b1fdced6fe10e73b7eec0b61f4 [1,1,0,0,0,0|1,0,1]=4 4211 B10R0.71 CCCCCNCCCSC 1a943155b12e5db9b108db3f8ef5622d [1,1,0,0,0,0|1,0,1]=4 4212 B10R0.71 CCCCCNCCOCC b302026487b9f6fc9da1041bec3b940f [1,1,0,0,0,0|1,0,1]=4 4213 B10R0.71 CCCCCNCCSCC d4e4b88649a7d41376228d32433581ea [1,1,0,0,0,0|1,0,1]=4 4214 B10R0.71 CCCCCOCCCC#N f9fbb269f112ce98f5b6b142866aa01e [1,1,0,0,0,0|0,0,2]=4 4215 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [1,1,0,0,0,0|0,0,2]=4 4216 B10R0.71 CCCCCOCCCCC 6be65cbda65609b70fc256077c9081b0 [1,1,0,0,0,0|0,0,1]=3 4217 B10R0.71 CCCCCOCCCCF 1e52934387d4e6196e1ae9a21a139f63 [1,1,0,0,0,0|0,0,1]=3 4218 B10R0.71 CCCCCOCCCCS 0279225295d1c82256f6e5c11abe7674 [1,1,0,0,0,0|0,0,1]=3 4219 B10R0.71 CCCCCOCCCOC 35a4ac119007b84148d4ce463e8bfcd6 [1,1,0,0,0,0|0,0,1]=3 4220 B10R0.71 CCCCCOCCCSC 83f486b530f56d8364c21230e353c7ad [1,1,0,0,0,0|0,0,1]=3 4221 B10R0.71 CCCCCOCCOCC c8f98ba5fde1bc4c3459e40764f14618 [1,1,0,0,0,0|0,0,1]=3 4222 B10R0.71 CCCCCOCCOCF 4eb1d0a205c12d08a71774261d9303c6 [1,1,0,0,0,0|1,0,1]=4 4223 B10R0.71 CCCCCOCCSCC 8e2ce49f0c9b939f61ef427ccb831b7d [1,1,0,0,0,0|0,0,1]=3 4224 B10R0.71 CCCCNCCCCCCl 17907e10bc8ae216fc19d4f50e0355d8 [1,1,0,0,0,0|1,0,1]=4 4225 B10R0.71 CCCCNCCCCCF ecb524fdab50cb363fd9220f41e81b56 [1,1,0,0,0,0|1,0,1]=4 4226 B10R0.71 CCCCNCCCCCO a568cb73440f8b5eb1a832482c6c8aa1 [1,1,0,0,0,0|1,0,1]=4 4227 B10R0.71 CCCCNCCCCOC 8a51345137a99f78ee92600b49d2fddb [1,1,0,0,0,0|1,0,1]=4 4228 B10R0.71 CCCCNCCCCSC 834064ffffe2ca860260d790d8b507c6 [1,1,0,0,0,0|1,0,1]=4 4229 B10R0.71 CCCCNCCCOCC 4567bf18693d1425b182776ab5d89ce7 [1,1,0,0,0,0|1,0,1]=4 4230 B10R0.71 CCCCNCCCSCC 63db814ee76aaab4513ac3ae6b0470e2 [1,1,0,0,0,0|1,0,1]=4 4231 B10R0.71 CCCCNCCOCCC 3fcdc0cfe48703f2a83af0169c62729d [1,1,0,0,0,0|1,0,1]=4 4232 B10R0.71 CCCCNCOCCCC 545e6748e00cac4bfa4dcccf944d1023 [1,1,0,0,0,0|0,0,1]=3 4233 B10R0.71 CCCCNCOCCOC 1dd2d7a790540a31a6570455a64e2044 [1,1,0,0,0,0|1,0,1]=4 4234 B10R0.71 CCCCOCCCCC#N 02ae7f84fca96cad6d15d62b1cbefcac [1,1,0,0,0,0|0,0,2]=4 4235 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [1,1,0,0,0,0|0,0,2]=4 4236 B10R0.71 CCCCOCCCCCF aead05b2f46a954a77fb9b0d46a831a1 [1,1,0,0,0,0|0,0,1]=3 4237 B10R0.71 CCCCOCCCCOC 1c665f9a80dbcc19a2506b93b11eeab3 [1,1,0,0,0,0|0,0,1]=3 4238 B10R0.71 CCCCOCCCCSC 7e846181e45c3a440b01cd8ef8df47c8 [1,1,0,0,0,0|0,0,1]=3 4239 B10R0.71 CCCCOCCCNCC 010734c4fdc877ac094389f744441162 [1,1,0,0,0,0|0,0,1]=3 4240 B10R0.71 CCCCOCCCNCF fbaf21f03ebc1c1e24106466ca45cf49 [1,1,0,0,0,0|1,0,1]=4 4241 B10R0.71 CCCCOCCCNCO 02310b457d19aea630613cfc6ae43a82 [1,1,0,0,0,0|1,0,1]=4 4242 B10R0.71 CCCCOCCCOCC 1158a02552cfd2177bf76faa90c6df77 [1,1,0,0,0,0|0,0,1]=3 4243 B10R0.71 CCCCOCCCOCF 5e73e928453faa57e5da7ba81a05056a [1,1,0,0,0,0|1,0,1]=4 4244 B10R0.71 CCCCOCCCSCC e04cab22dc6501876d38fc7fb5563829 [1,1,0,0,0,0|0,0,1]=3 4245 B10R0.71 CCCCOCCNCCBr dc73ca26cb11908f315e59292c2a4d63 [1,1,0,0,0,0|1,0,1]=4 4246 B10R0.71 CCCCOCCNCCC c10c126aa77fae6dee2817c49229712d [1,1,0,0,0,0|0,0,1]=3 4247 B10R0.71 CCCCOCCNCCF d8e8c882b31899018a61739e3f52cc6c [1,1,0,0,0,0|1,0,1]=4 4248 B10R0.71 CCCCOCCNCCI 5a8cc801334ce93b97d6f903789fbdb6 [1,1,0,0,0,0|1,0,1]=4 4249 B10R0.71 CCCCOCCNCCO cd255df0d112d9e8c8ef0cac0591fd4e [1,1,0,0,0,0|1,0,1]=4 4250 B10R0.71 CCCCOCCNCCS 3510158d43a96868d7c62c4bece1f6ae [1,1,0,0,0,0|1,0,1]=4 4251 B10R0.71 CCCCOCCNCOC 3d46e426fe208da12e5270741d2f7758 [1,1,0,0,0,0|1,0,1]=4 4252 B10R0.71 CCCCOCCNCSC 23dca61e9f32c22306852e3b15bec4fd [1,1,0,0,0,0|1,0,1]=4 4253 B10R0.71 CCCCOCCOCCC 62aa1933f9f6285673b3ff78d496fc74 [1,1,0,0,0,0|0,0,1]=3 4254 B10R0.71 CCCCOCCOCCF 0e3907704345f6840513dbb7fe33a55b [1,1,0,0,0,0|1,0,1]=4 4255 B10R0.71 CCCCOCCOCCS e527e16f2881ce18e3da73bad0736851 [1,1,0,0,0,0|1,0,1]=4 4256 B10R0.71 CCCCOCCOCOC ac988a5aed77ca629caaf4c7819a46c6 [1,1,0,0,0,0|1,0,1]=4 4257 B10R0.71 CCCCOCCOCSC a25829e4f34115af6afb1e4b0b83c031 [1,1,0,0,0,0|1,0,1]=4 4258 B10R0.71 CCCCOCCSCCC dd7dd42c58efb56d123dfdb4ec52bdfa [1,1,0,0,0,0|0,0,1]=3 4259 B10R0.71 CCCCOCNCCCCl fcf9b7c917900b18042cb26f0b2d4362 [1,1,0,0,0,0|1,0,1]=4 4260 B10R0.71 CCCCOCNCCCO d649bca14d69eef2b8a68b32f4a61d75 [1,1,0,0,0,0|1,0,1]=4 4261 B10R0.71 CCCCOCNCCOC 9661ef8359764d8623d11afe5498e300 [1,1,0,0,0,0|1,0,1]=4 4262 B10R0.71 CCCCOCNCCSC 26fbd8ec66be974fcbd5a0526cb4b0d9 [1,1,0,0,0,0|1,0,1]=4 4263 B10R0.71 CCCCOCOCCCC cab95224f5094c3b71980434e538b501 [1,1,0,0,0,0|0,0,1]=3 4264 B10R0.71 CCCCOCOCCCF b24952fd54551c34fc7a3582b4f4b10f [1,1,0,0,0,0|1,0,1]=4 4265 B10R0.71 CCCCOCOCCCS 93f4c58804d15cdcdbc12a98bf6cbca4 [1,1,0,0,0,0|1,0,1]=4 4266 B10R0.71 CCCCOCOCCOC e1e6d52bf675f052f70a55e34a94bebd [1,1,0,0,0,0|1,0,1]=4 4267 B10R0.71 CCCCOCOCCSC d930608e2de8d8b600f7619079ad5307 [1,1,0,0,0,0|1,0,1]=4 4268 B10R0.71 CCCCSCCOCCC 042c613074bc2dcac09e3dbf40c6fdea [1,1,0,0,0,0|0,1,1]=4 4269 B10R0.71 CCCNCCCCCCCl d9d02325ceabb1236feca69f9d260e06 [1,1,0,0,0,0|2,0,0]=4 4270 B10R0.71 CCCNCCCCCCF 47bd30d6c6ebb4154ccfd3d84e3dd907 [1,1,0,0,0,0|2,0,0]=4 4271 B10R0.71 CCCNCCCCCCO 957198384cd9904d687345e1f1a839fe [1,1,0,0,0,0|2,0,0]=4 4272 B10R0.71 CCCNCCCCCOC fbe0af6a29e7bb390546dc0f24f036df [1,1,0,0,0,0|2,0,0]=4 4273 B10R0.71 CCCNCCCCSCC 4fbccce5329f8a22f7d198bd04134133 [1,1,0,0,0,0|2,0,0]=4 4274 B10R0.71 CCCNCCCOCCC 7fd6aca7b9f3bc59415db067623e55ef [1,1,0,0,0,0|2,0,0]=4 4275 B10R0.71 CCCNCCOCCCO ce755d26bb38d7d0db74dd93ed4f675f [1,1,0,0,0,0|1,0,1]=4 4276 B10R0.71 CCCNCCOCCOC 2cbde89089689bf854a3b933cabe6ba2 [1,1,0,0,0,0|1,0,1]=4 4277 B10R0.71 CCCOCCCCCCF 72ffe3589386c933c936da7caa3f7256 [1,1,0,0,0,0|2,0,0]=4 4278 B10R0.71 CCCOCCCCCCS 9237106df74f11c16d22d77a5b29e426 [1,1,0,0,0,0|2,0,0]=4 4279 B10R0.71 CCCOCCCCCOC f0f1181da96b58975534715e6947023c [1,1,0,0,0,0|2,0,0]=4 4280 B10R0.71 CCCOCCCOCCC f962260523633ca9eb2ae77ffb4aa792 [1,1,0,0,0,0|2,0,0]=4 4281 B10R0.71 CCCOCCOCCCF f99eaf72f24d8c38f0025bb59317ae75 [1,1,0,0,0,0|1,0,1]=4 4282 B10R0.71 CCCOCCOCCCS 29d48da73019a044d9e048470970d12c [1,1,0,0,0,0|1,0,1]=4 4283 B10R0.71 CCCOCCOCCOC 1b06cdeb8b0ec10f0136b2c501e1354c [1,1,0,0,0,0|1,0,1]=4 4284 B10R0.71 CCCOCCOCCSC dfd11617336747a54284534e611b2815 [1,1,0,0,0,0|1,0,1]=4 4285 B10R0.71 CCCOCCOCOCC 100dd6040f41719744cddfe9d7650b59 [1,1,0,0,0,0|1,0,1]=4 4286 B10R0.71 CCCSCCCCNCC 19a2007b09e5e2f3826f2c9805957fbb [1,1,0,0,0,0|2,0,0]=4 4287 B10R0.71 CCCSCCOCCCF c2df45484e1f04796f55039c6c01149a [1,1,0,0,0,0|1,0,1]=4 4288 B10R0.71 CCCSCCOCCCS 5c85cc065b8d075793169fe91e12b9a6 [1,1,0,0,0,0|1,0,1]=4 4289 B10R0.71 CCCSCCOCCOC 6ee02793d5fe53c6051c2b73c029160a [1,1,0,0,0,0|1,0,1]=4 4290 B10R0.71 CCCSCCOCCSC 619f33b0b6b5069ab424bef912e65bf1 [1,1,0,0,0,0|1,0,1]=4 4291 B10R0.71 CCCSCCOCOCC 4185e41a27ecf720c5ad46b42494d0f9 [1,1,0,0,0,0|1,0,1]=4 4292 B10R0.71 CCNCCCOCCCO 47d0e11f0fe7477fa63a8b913e01e66b [1,1,0,0,0,0|1,0,1]=4 4293 B10R0.71 CCNCCCOCCOC 2b72e76c302d9f2c23aaf01a3b73ab0a [1,1,0,0,0,0|1,0,1]=4 4294 B10R0.71 CCNCCCOCCSC f1f564b79311e99b3e72733e90006265 [1,1,0,0,0,0|1,0,1]=4 4295 B10R0.71 CCNCCOCCOCC 5f32edce029bc6a5247f81269ebb6cbd [1,1,0,0,0,0|1,0,1]=4 4296 B10R0.71 CCOCCCOCCCF b35bf1ac62461dff8e8a6433d528ce47 [1,1,0,0,0,0|1,0,1]=4 4297 B10R0.71 CCOCCCOCCCS 5a3fb37aab52a4b5c1a3633304843f2d [1,1,0,0,0,0|1,0,1]=4 4298 B10R0.71 CCOCCCOCCOC 86d49f1c0e918986d65abbc263be35e3 [1,1,0,0,0,0|1,0,1]=4 4299 B10R0.71 CCOCCCOCCSC 7e6593cfd8fbe8a0366c6c086d62c695 [1,1,0,0,0,0|1,0,1]=4 4300 B10R0.71 CCOCCCOCOCC bda2c234d3de22b72b74da925ab0ea52 [1,1,0,0,0,0|1,0,1]=4 4301 B10R0.71 CCOCCOCCCCF 48ad7f28261a2ea0c2123b939539c9d8 [1,1,0,0,0,0|1,0,1]=4 4302 B10R0.71 CCOCCOCCCCS 518cf76116aed980c0a2180ee00dd264 [1,1,0,0,0,0|1,0,1]=4 4303 B10R0.71 CCOCCOCCCOC c7170da04bbfc7f7cb885af7e5fd026e [1,1,0,0,0,0|1,0,1]=4 4304 B10R0.71 CCOCCOCCCSC c38972a063809e2df85a883511294af3 [1,1,0,0,0,0|1,0,1]=4 4305 B10R0.71 CCOCCOCCOCC e371d1cb764f70557a0d4dc1d3182df8 [1,1,0,0,0,0|1,0,1]=4 4306 B10R0.71 CCOCCOCCSCC 8fb694056e2f78315508ba3070af5a7c [1,1,0,0,0,0|1,0,1]=4 4307 B10R0.71 CCOCOCCCCOC 915704c151d10769b6018e77d6159ac5 [1,1,0,0,0,0|1,0,1]=4 4308 B10R0.71 CCOCOCCCCSC 775f9873e83d33ed64cef755812a1118 [1,1,0,0,0,0|1,0,1]=4 4309 B10R0.71 CCOCOCCCSCC 0b74f7a6f67e9f31725361da5e9273b0 [1,1,0,0,0,0|1,0,1]=4 4310 B10R0.71 CCSCCCOCCCF da8ebf8ef956a447a2622665209066ff [1,1,0,0,0,0|1,0,1]=4 4311 B10R0.71 CCSCCCOCCCS 20e48a9db1d8288875a5ef6318b27a21 [1,1,0,0,0,0|1,0,1]=4 4312 B10R0.71 CCSCCCOCCOC 184324569a695c14f2d49871f1e33d60 [1,1,0,0,0,0|1,0,1]=4 4313 B10R0.71 CCSCCCOCCSC 21daf581564f85521ee1e3a25d829227 [1,1,0,0,0,0|1,0,1]=4 4314 B10R0.71 CCSCCOCCCCF df2ef170c3518f5fdc16d0e596411dbd [1,1,0,0,0,0|1,0,1]=4 4315 B10R0.71 CCSCCOCCCCS 6cadcd4fc042fb5b664576424db46a66 [1,1,0,0,0,0|1,0,1]=4 4316 B10R0.71 CCSCCOCCCOC a174d929fda302181c1f8aa46f0d321b [1,1,0,0,0,0|1,0,1]=4 4317 B10R0.71 CCSCCOCCCSC 4df7d0f0fece382dbc1b5235bcdfe089 [1,1,0,0,0,0|1,0,1]=4 4318 B10R0.71 CCSCCOCCSCC aeb5bd3cb85dc8d64ed7427fa2c457ef [1,1,0,0,0,0|1,0,1]=4 4319 B10R0.71 COCCCCOCCCF e6872cd38809d1806361f7ad32f2a527 [1,1,0,0,0,0|1,0,1]=4 4320 B10R0.71 COCCCCOCCCS ab904d46ca6f0f0892fbfc7c57dda8ab [1,1,0,0,0,0|1,0,1]=4 4321 B10R0.71 COCCCCOCCOC 379baa265a89cf9fa652b6f6ebaa5e6d [1,1,0,0,0,0|1,0,1]=4 4322 B10R0.71 COCCCCOCCSC b497ccff6bc26ea83e7425dcecf604f3 [1,1,0,0,0,0|1,0,1]=4 4323 B10R0.71 COCCCOCCCCF 1513601fe13cf3bb08e57a5826b91906 [1,1,0,0,0,0|1,0,1]=4 4324 B10R0.71 COCCCOCCCCS f81040082756c3c5657c640fd026213a [1,1,0,0,0,0|1,0,1]=4 4325 B10R0.71 COCCCOCCCOC c23b15175ba98778655d04671aa2fc22 [1,1,0,0,0,0|1,0,1]=4 4326 B10R0.71 COCCCOCCCSC 23110c14aa79d66c229987eba6774fe8 [1,1,0,0,0,0|1,0,1]=4 4327 B10R0.71 COCCOCCCCCF 4e5f4f6eedb72d35ca16a01d8e944d7b [1,1,0,0,0,0|1,0,1]=4 4328 B10R0.71 COCCOCCCCSC 9a3d705a7acc5ce3f2ef2242637c187e [1,1,0,0,0,0|1,0,1]=4 4329 B10R0.71 CSCCCCOCCCF 8a1b3a8e971206055dce912e15fae07c [1,1,0,0,0,0|1,0,1]=4 4330 B10R0.71 CSCCCCOCCCS 60cea5c30a0a6951485423c11433ff52 [1,1,0,0,0,0|1,0,1]=4 4331 B10R0.71 CSCCCCOCCSC 7774efcc9171d86a8214b5f2ec5d591f [1,1,0,0,0,0|1,0,1]=4 4332 B10R0.71 CSCCCOCCCCF 7b8bfdf8db8c254d9ea38777019f1908 [1,1,0,0,0,0|1,0,1]=4 4333 B10R0.71 CSCCCOCCCCS 9db249f09bc1f3b711668fde6d338014 [1,1,0,0,0,0|1,0,1]=4 4334 B10R0.71 CSCCCOCCCSC 9b04b66ba015667f3b00d24268040bff [1,1,0,0,0,0|1,0,1]=4 4335 B10R0.71 CSCCOCCCCCF c91dfc969bda30e8e6509f126ab4281b [1,1,0,0,0,0|1,0,1]=4 4336 B10R0.71 FCCCCCOCCCF a52d1e432f2925cef5d8939d3ad10c4a [1,1,0,0,0,0|1,0,1]=4 4337 B10R0.71 FCCCCCOCCCS 798f59dd060c2f4d944bccba177b7e14 [1,1,0,0,0,0|1,0,1]=4 4338 B10R0.71 FCCCCOCCCCF d3ea4d3274100b4f8e6410eaf53051fd [1,1,0,0,0,0|1,0,1]=4 4339 B10R0.71 FCCCCOCCCCS 5580d68170838e946b842c26609ce295 [1,1,0,0,0,0|1,0,1]=4 4340 B10R0.74 C=C(CC)COCCCCC 75a076fa5d2b53a201e5a9dd953cf8d1 [1,1,0,0,0,0|0,0,2]=4 4341 B10R0.74 CCC(C)CCOCCCF 088b5e09865e143620390774633098b7 [1,1,0,0,0,0|1,0,1]=4 4342 B10R0.74 CCC(C)CCOCCCS c9d94861156b939110ea5fc9d36aecf2 [1,1,0,0,0,0|1,0,1]=4 4343 B10R0.74 CCC(C)CCOCCOC 8d7bae248d09a56ebc54466239cee237 [1,1,0,0,0,0|1,0,1]=4 4344 B10R0.74 CCC(C)CCOCCSC b64c3063c6c6eb45bc2fba1d8ff3787c [1,1,0,0,0,0|1,0,1]=4 4345 B10R0.74 CCC(C)COCCCCF cade49b7398ade60dc41077e3eb9271c [1,1,0,0,0,0|1,0,1]=4 4346 B10R0.74 CCC(C)COCCCCS 3a5ef74c285c96d806a925c1b88d33fa [1,1,0,0,0,0|1,0,1]=4 4347 B10R0.74 CCC(C)COCCCOC fbeb5e71dd462129cd50eb030d7a3216 [1,1,0,0,0,0|1,0,1]=4 4348 B10R0.74 CCC(C)COCCCSC 94f2af8e234e7bd5f7570b205c7f165e [1,1,0,0,0,0|1,0,1]=4 4349 B10R0.74 CCC(S)CCOCCCF c75c637b6efc4629096d3a1148e0db9f [1,1,0,0,0,0|1,0,1]=4 4350 B10R0.74 CCC(S)CCOCCCS 240d808dc20256cad1d36f0700cbfb8e [1,1,0,0,0,0|1,0,1]=4 4351 B10R0.74 CCC(S)CCOCCOC 67e3895f3a160aa52fbaa027ffa7eba4 [1,1,0,0,0,0|1,0,1]=4 4352 B10R0.74 CCC(S)CCOCCSC eb144eecacbdad1a91a580af0f400390 [1,1,0,0,0,0|1,0,1]=4 4353 B10R0.74 CCC/C=C/CNC(C)CC 4e48ba9c0fd98caefbe85435fa5b1a78 [1,1,0,0,0,0|2,0,0]=4 4354 B10R0.74 CCC/C=C/CN[C@@H](C)CC b7605e996cb0e45ab279f62487cb2b40 [1,1,0,0,0,0|2,0,0]=4 4355 B10R0.74 CCC/C=C/CN[C@H](C)CC dd95691b136f2707f8767c08a69f2a66 [1,1,0,0,0,0|2,0,0]=4 4356 B10R0.74 CCC/C=C/COC(C)CC 9d98da554dcc872c553125211755c2f1 [1,1,0,0,0,0|2,0,0]=4 4357 B10R0.74 CCC/C=C/CO[C@@H](C)CC a336b5e3decea76f5731829ecb170ae9 [1,1,0,0,0,0|2,0,0]=4 4358 B10R0.74 CCC/C=C/CO[C@H](C)CC aeb209c4e3a2af254650316b293cd84f [1,1,0,0,0,0|2,0,0]=4 4359 B10R0.74 CCC/C=C\CNC(C)CC 93778ee7585781e977d18115d2d5927a [1,1,0,0,0,0|2,0,0]=4 4360 B10R0.74 CCC/C=C\CN[C@@H](C)CC b3e7fcd5abd5ab3c2e18e130810a40c3 [1,1,0,0,0,0|2,0,0]=4 4361 B10R0.74 CCC/C=C\CN[C@H](C)CC 2bc95e0a31d669a6c49f2c90c0267941 [1,1,0,0,0,0|2,0,0]=4 4362 B10R0.74 CCC/C=C\COC(C)CC a26ef22927ba4d735254ddc319a96279 [1,1,0,0,0,0|2,0,0]=4 4363 B10R0.74 CCC/C=C\CO[C@@H](C)CC 4c4ab28a89b9b3d70d6378bd67ee91bc [1,1,0,0,0,0|2,0,0]=4 4364 B10R0.74 CCC/C=C\CO[C@H](C)CC 52fe4cd33011e343d8fae8f0ccfc7dac [1,1,0,0,0,0|2,0,0]=4 4365 B10R0.74 CCCCCCNC(C)CC 53e44df6969c0f5db5e2ae20e833ced2 [1,1,0,0,0,0|2,0,0]=4 4366 B10R0.74 CCCCCCN[C@@H](C)CC af6ba5f4188670da2e5b1f8dc87a134c [1,1,0,0,0,0|2,0,0]=4 4367 B10R0.74 CCCCCCN[C@H](C)CC 83007d10aa75918c4280ed98b36f2e5b [1,1,0,0,0,0|2,0,0]=4 4368 B10R0.74 CCCCCCOC(C)CC 63a0e53b4936ff9a126507b425b4f873 [1,1,0,0,0,0|2,0,0]=4 4369 B10R0.74 CCCCCCO[C@@H](C)CC 913d8fe5eb0dc2cd00df16877f67de0e [1,1,0,0,0,0|2,0,0]=4 4370 B10R0.74 CCCCCCO[C@H](C)CC c063b7a21fad8b8f0def39d173f79e48 [1,1,0,0,0,0|2,0,0]=4 4371 B10R0.74 CCCCCNCC(C)CC e20d30575e77059b5fc8dccdcc466f74 [1,1,0,0,0,0|1,0,1]=4 4372 B10R0.74 CCCCCNCC(O)CC d6191ad3bd9358697a26014dd3c35d2e [1,1,0,0,0,0|1,0,1]=4 4373 B10R0.74 CCCCCNC[C@@H](C)CC 75624383a07a93d441194408d34bea83 [1,1,0,0,0,0|1,0,1]=4 4374 B10R0.74 CCCCCNC[C@H](C)CC b99d32d28594086efdc0317d1d89146e [1,1,0,0,0,0|1,0,1]=4 4375 B10R0.74 CCCCCNC[C@H](O)CC 141cc5eeaba79c4f9687c521abb8108f [1,1,0,0,0,0|1,0,1]=4 4376 B10R0.74 CCCCCOCC(=O)CC dbc68622c1630e1162d4ac42bae10c20 [1,1,0,0,0,0|0,0,2]=4 4377 B10R0.74 CCCCCOCC(Br)CBr 8bb8c6580b92df172d699ffd6ea3d764 [1,1,0,0,0,0|1,0,1]=4 4378 B10R0.74 CCCCCOCC(C)CC 412dea2fff2534118021b46f8a6f4435 [1,1,0,0,0,0|0,0,1]=3 4379 B10R0.74 CCCCCOCC(C)OC 784d7bffd0552dcf06bcf9b89514c886 [1,1,0,0,0,0|1,0,1]=4 4380 B10R0.74 CCCCCOCC(Cl)CCl 25ed727e710707423d3f99305f55afe8 [1,1,0,0,0,0|1,0,1]=4 4381 B10R0.74 CCCCCOCC(O)CO a1b36fdc5e1bf46799aa0665344b2cd4 [1,1,0,0,0,0|1,0,1]=4 4382 B10R0.74 CCCCCOCC(S)CS b654aebe6fe6a2912f705b83b3e39b5c [1,1,0,0,0,0|1,0,1]=4 4383 B10R0.74 CCCCCOC[C@@H](C)CC 0815ce752a9002f957d8245cad9da55c [1,1,0,0,0,0|0,0,1]=3 4384 B10R0.74 CCCCCOC[C@@H](C)OC a4877b9376583bb89200ebce31e15333 [1,1,0,0,0,0|1,0,1]=4 4385 B10R0.74 CCCCCOC[C@@H](O)CO dbec6fbfc37ac25dc27fe74f36f0fb6f [1,1,0,0,0,0|1,0,1]=4 4386 B10R0.74 CCCCCOC[C@H](C)CC 4040d63575afd64f526d6a508cd05115 [1,1,0,0,0,0|0,0,1]=3 4387 B10R0.74 CCCCCOC[C@H](C)OC 308df08929304a3a098581799a590a61 [1,1,0,0,0,0|1,0,1]=4 4388 B10R0.74 CCCCCOC[C@H](O)CO b973cba7b2684874077d1ef653495bea [1,1,0,0,0,0|1,0,1]=4 4389 B10R0.74 CCCCNCCC(C)CC 1e9bc7ea0a0af354300a85f57c2aaa99 [1,1,0,0,0,0|1,0,1]=4 4390 B10R0.74 CCCCOCCC(C)CC f254ee673c9931edff6d585f5329842f [1,1,0,0,0,0|0,0,1]=3 4391 B10R0.74 CCCCOCCC(C)OC c8652128de7645f740690c6ee96dd945 [1,1,0,0,0,0|1,0,1]=4 4392 B10R0.74 CCCCOCCC(S)CC bc2f3b2f58c19e9a9629224575cf313f [1,1,0,0,0,0|0,0,1]=3 4393 B10R0.74 CCCCOCCN(C)CC 33cc8b6700841eb82fab445c5dbbc64d [1,1,0,0,0,0|1,0,1]=4 4394 B10R0.74 CCCCOCCS(=O)CC a4f32aa190e55e60f786e86eb5a7eb42 [1,1,0,0,0,0|1,0,1]=4 4395 B10R0.74 CCCCOCC[C@@H](C)CC 993c3afca03cb97ff2687a4bdbe6e055 [1,1,0,0,0,0|0,0,1]=3 4396 B10R0.74 CCCCOCNC(C)CC 4fe9d60f8c260b4fe9a74e716daf1c8e [1,1,0,0,0,0|1,0,1]=4 4397 B10R0.74 CCCCOCN[C@@H](C)CC 4b2c024e16df14de4a5afafb50cc30b0 [1,1,0,0,0,0|1,0,1]=4 4398 B10R0.74 CCCCOCN[C@H](C)CC a46028efe411312aa4bf0a52de5acbfc [1,1,0,0,0,0|1,0,1]=4 4399 B10R0.74 CCCCOCOC(C)CC b1b4b0a9028982023e445a30acf0111b [1,1,0,0,0,0|1,0,1]=4 4400 B10R0.74 CCCCOCO[C@@H](C)CC cb49f022c3ab9d1366df5238e6c3b898 [1,1,0,0,0,0|1,0,1]=4 4401 B10R0.74 CCCCOCO[C@H](C)CC de52d6cb33e0e7e7e6b0bc636cc3594c [1,1,0,0,0,0|1,0,1]=4 4402 B10R0.74 CCCOCCCC(C)CC 830720c7a42a213e98aa1689bfd341de [1,1,0,0,0,0|2,0,0]=4 4403 B10R0.74 CCCOCCC[C@@H](C)CC 6a40126846604dd5c0859f3f0606466c [1,1,0,0,0,0|2,0,0]=4 4404 B10R0.74 CCOCCOCC(C)CC 728fdbbdfb9b1e172d379ea93261daa4 [1,1,0,0,0,0|1,0,1]=4 4405 B10R0.74 CCOCCOC[C@@H](C)CC eb5c8b16737bac0fd669a2c8a1a66644 [1,1,0,0,0,0|1,0,1]=4 4406 B10R0.74 CCOCCOC[C@H](C)CC be524e33c578245fd22042ee9fa1d51a [1,1,0,0,0,0|1,0,1]=4 4407 B10R0.74 CCOCOCCC(C)CC ac3cd7b41d826a0b62bdf9ae8e99918d [1,1,0,0,0,0|1,0,1]=4 4408 B10R0.74 CCOCOCCC(S)CC 4629a1b73b5e695c84b3dda519b50f5e [1,1,0,0,0,0|1,0,1]=4 4409 B10R0.74 CCOCOCC[C@@H](C)CC c661efaf1bc7a58e0e8f6471aa7fc67e [1,1,0,0,0,0|1,0,1]=4 4410 B10R0.74 CCSCCOCC(C)CC f4aa637a6a62e2b6b6c4c417a3ea34e7 [1,1,0,0,0,0|1,0,1]=4 4411 B10R0.74 CCSCCOC[C@@H](C)CC 85d1e354d325921c89837afaff1f5f2e [1,1,0,0,0,0|1,0,1]=4 4412 B10R0.74 CCSCCOC[C@H](C)CC 1e1ad7e68dbe3aa2ffac5f74682a83d4 [1,1,0,0,0,0|1,0,1]=4 4413 B10R0.74 CC[C@@H](C)COCCCCF af198fabaf337b674d80edc0aeeba5d2 [1,1,0,0,0,0|1,0,1]=4 4414 B10R0.74 CC[C@@H](C)COCCCCS ece867ee70914559d18c452fa07c46cc [1,1,0,0,0,0|1,0,1]=4 4415 B10R0.74 CC[C@@H](C)COCCCOC 240633634823d00f27f57cbe2d1abaee [1,1,0,0,0,0|1,0,1]=4 4416 B10R0.74 CC[C@@H](C)COCCCSC 6a8d0daf5b49a452116ce3506871c880 [1,1,0,0,0,0|1,0,1]=4 4417 B10R0.74 CC[C@H](C)CCOCCCF 099e12d26b1e665d7b0efe6dbdc60589 [1,1,0,0,0,0|1,0,1]=4 4418 B10R0.74 CC[C@H](C)CCOCCCS 990329958d5601b9fcd5212f75727e50 [1,1,0,0,0,0|1,0,1]=4 4419 B10R0.74 CC[C@H](C)CCOCCOC 1186266719a819af26c27812701041b7 [1,1,0,0,0,0|1,0,1]=4 4420 B10R0.74 CC[C@H](C)CCOCCSC e46d67288b01436612559991cec7882a [1,1,0,0,0,0|1,0,1]=4 4421 B10R0.74 CC[C@H](C)COCCCCF 35bc815c86121b44dda2105d32a28ab7 [1,1,0,0,0,0|1,0,1]=4 4422 B10R0.74 CC[C@H](C)COCCCCS bafeee3108a8d2e09f21acf286329671 [1,1,0,0,0,0|1,0,1]=4 4423 B10R0.74 CC[C@H](C)COCCCOC d9b4cb1b7b252cd517493050bb68ff7a [1,1,0,0,0,0|1,0,1]=4 4424 B10R0.74 CC[C@H](C)COCCCSC e02eadf8cb43bbf640282f492a3e7c22 [1,1,0,0,0,0|1,0,1]=4 4425 B10R0.18 CCC(=O)NC(C)CCCO 464faf75b25f02132e600baf298aea6b [1,1,0,0,0,0|2,0,0]=4 4426 B10R0.18 CCC(=O)N[C@H](C)CCCO 453339b8b8cd7af50b659483cd705a4b [1,1,0,0,0,0|2,0,0]=4 4427 B10R0.18 CCCCC(C)NC(=O)CC f811b85a8d7ddd08f545723202074840 [1,1,0,0,0,0|1,0,0]=3 4428 B10R0.18 CCCCC(C)NC(=O)CF d0c1e8fd298fa87644a77dd7ffaab0d0 [1,1,0,0,0,0|2,0,0]=4 4429 B10R0.18 CCCCC(C)NC(=O)CO 8fb0c98abcb6f3d6cfa770bb2e2f5738 [1,1,0,0,0,0|2,0,0]=4 4430 B10R0.18 CCCCC(C)NC(=O)CS 57ae11e6887affc69d93410205e21dd4 [1,1,0,0,0,0|2,0,0]=4 4431 B10R0.18 CCCCC(C)OC(C)CC 52fd5692cca2410ff5de3d647587d79f [1,1,0,0,0,0|1,0,1]=4 4432 B10R0.18 CCCCC(C)O[C@@H](C)CC b672df34058a2af6caf19c03bd3eaf83 [1,1,0,0,0,0|1,0,1]=4 4433 B10R0.18 CCCCC(C)O[C@H](C)CC 702732c470493776839d713a357bb8f4 [1,1,0,0,0,0|1,0,1]=4 4434 B10R0.18 CCCCN(C)CC(=O)CC 2d403bcb7d9543b934d1de66135348a8 [1,1,0,0,0,0|2,0,0]=4 4435 B10R0.18 CCCC[C@@H](C)NC(=O)CC 46bea22625ea6b2c36250468f777664f [1,1,0,0,0,0|1,0,0]=3 4436 B10R0.18 CCCC[C@@H](C)NC(=O)CF e72827d8cbdafaa4b45d15ceb95a5c26 [1,1,0,0,0,0|2,0,0]=4 4437 B10R0.18 CCCC[C@@H](C)NC(=O)CO c6508d24c14a6e10519c52d9dd7dd887 [1,1,0,0,0,0|2,0,0]=4 4438 B10R0.18 CCCC[C@@H](C)NC(=O)CS a7fb836a0730bac6653ec857e8ec1fbe [1,1,0,0,0,0|2,0,0]=4 4439 B10R0.18 CCCC[C@@H](C)OC(C)CC 720108f7d255cb2777492d9c3eb216ba [1,1,0,0,0,0|1,0,1]=4 4440 B10R0.18 CCCC[C@H](C)OC(C)CC 051a29645f9a60a791889505d35d2b86 [1,1,0,0,0,0|1,0,1]=4 4441 B10R0.18 CCCNC(C)OC(=O)OC 1378485bbc965ea560fb95dbc51d8b60 [1,1,0,0,0,0|2,0,0]=4 4442 B10R0.18 CCCOC(C)OC(=O)OC b66533963ffb3c85b643ed7b042b2c1e [1,1,0,0,0,0|2,0,0]=4 4443 B10R0.41 C#CC(CC)OCCCCC fa622c3413079eb4bb7e2397b37b3d2b [1,1,0,0,0,0|1,0,1]=4 4444 B10R0.41 C=CC(CC)OCCCCC 1840821ceed82cde6ae853a82292c428 [1,1,0,0,0,0|1,0,1]=4 4445 B10R0.41 CCC(C=O)OCCCCF f1f43e044b6f65472b53fcbffd1f871e [1,1,0,0,0,0|1,0,1]=4 4446 B10R0.41 CCC(C=O)OCCCCS 867c7f83c210081bbca6b22ddc15e882 [1,1,0,0,0,0|1,0,1]=4 4447 B10R0.41 CCC(C=O)OCCCOC 39e3494d9f0a0347aa12a490f4173df7 [1,1,0,0,0,0|1,0,1]=4 4448 B10R0.41 CCC(C=O)OCCCSC 13849281d4bb07175917d4a332652925 [1,1,0,0,0,0|1,0,1]=4 4449 B10R0.41 CCCCCNC(C=O)CC 12d22b6718bb34daa837a86af61630b2 [1,1,0,0,0,0|1,0,1]=4 4450 B10R0.41 CCCCCOC(C#N)CC f0ac76ffd22c22c0285d5a547dce40b3 [1,1,0,0,0,0|1,0,1]=4 4451 B10R0.41 CCCCCOC(C=O)CC 868e7873b395a96668a3795dee2fa98a [1,1,0,0,0,0|0,0,1]=3 4452 B10R0.41 CCCCCOC(CC)CC e589b5b698e13acaf4d45ab51776a984 [1,1,0,0,0,0|1,0,1]=4 4453 B10R0.41 CCOCCOC(C=O)CC 4efbbde272951b88cf9bf4217c933b1f [1,1,0,0,0,0|1,0,1]=4 4454 B10R0.41 CCSCCOC(C=O)CC ef7497f29cf14046507647af262059ac [1,1,0,0,0,0|1,0,1]=4 4455 B10R0.55 C=C(C)CNCOC(=O)CC b5af038a68997e23b60980b7dac832c0 [1,1,0,0,0,0|1,0,1]=4 4456 B10R0.55 C=C(C)COCOC(=O)CC 4f6a3e21da47e5fb04961c9f0a49bd7e [1,1,0,0,0,0|1,0,1]=4 4457 B10R0.55 CC(C)CCCNC(=O)CF 6cfef8cc1df7bb89193be365d0f20c4c [1,1,0,0,0,0|2,0,0]=4 4458 B10R0.55 CC(C)CCCNC(=O)CO 2761d84b315f87a00ab7bb8d5ceb45cd [1,1,0,0,0,0|2,0,0]=4 4459 B10R0.55 CC(C)CCCNC(=O)CS fbcad379bc7cde8be2df01da648713af [1,1,0,0,0,0|2,0,0]=4 4460 B10R0.55 CCC(=O)CNCCC(C)C 4c3447bcd22b12f7199d3bb47f565eb5 [1,1,0,0,0,0|2,0,0]=4 4461 B10R0.55 CCC(=O)CNCCC(C)O 4014502ac74cd9c576568fef284a9217 [1,1,0,0,0,0|2,0,0]=4 4462 B10R0.55 CCC(=O)CNCC[C@@H](C)O 535ddb0b1326a56644428453e08e9635 [1,1,0,0,0,0|2,0,0]=4 4463 B10R0.55 CCC(=O)CNCC[C@H](C)O d16aa5011f904e81cfbe230456dcba05 [1,1,0,0,0,0|2,0,0]=4 4464 B10R0.55 CCC(=O)COCCC(C)C ee914b8910e29157266bcbd585498678 [1,1,0,0,0,0|2,0,0]=4 4465 B10R0.55 CCC(=O)NCCCC(C)C 1cbeadbca28f1729f15966e1915e8e7d [1,1,0,0,0,0|1,0,0]=3 4466 B10R0.55 CCC(=O)NCCCN(C)C f777bd1089ca1d1094eff93663e310bf [1,1,0,0,0,0|2,0,0]=4 4467 B10R0.55 CCC(=O)NCCCS(=O)C cfb2062c1dac8d71e374ab4797104a1a [1,1,0,0,0,0|2,0,0]=4 4468 B10R0.55 CCC(=O)NCCNC(C)C 3b98a893875e8d83abb576a3113b2261 [1,1,0,0,0,0|2,0,0]=4 4469 B10R0.55 CCC(=O)NCCOC(C)C 82c150fe6439bb4bdf496363a6890bf1 [1,1,0,0,0,0|2,0,0]=4 4470 B10R0.55 CCC(=O)OCCOC(C)C 54710fa333441c003d88fbff293fc83c [1,1,0,0,0,0|1,0,0]=3 4471 B10R0.55 CCC(=O)OCNCC(=O)C c4309d1263b2505eb1bf4588b926900c [1,1,0,0,0,0|1,0,1]=4 4472 B10R0.55 CCC(=O)OCNCC(C)C 1b607fa6b14045786c714f0684879af1 [1,1,0,0,0,0|1,0,0]=3 4473 B10R0.55 CCC(=O)OCNCC(C)O 9d6f83741ed24275034de6fc8652a1c3 [1,1,0,0,0,0|1,0,0]=3 4474 B10R0.55 CCC(=O)OCNCC(F)F 12fa742c86f669be1001743a6a43c142 [1,1,0,0,0,0|2,0,0]=4 4475 B10R0.55 CCC(=O)OCNC[C@@H](C)O 75926f93b7cf4236716502916c908377 [1,1,0,0,0,0|1,0,0]=3 4476 B10R0.55 CCC(=O)OCNC[C@H](C)O 90ae4606822e98f8012f8eb87d56cb2e [1,1,0,0,0,0|1,0,0]=3 4477 B10R0.55 CCC(=O)OCOCC(=O)C 51a7f54be1dc0684522c76afcffdc6e7 [1,1,0,0,0,0|1,0,1]=4 4478 B10R0.55 CCC(=O)OCOCC(C)C 1055453449855aa0fc400d4d9c746a7f [1,1,0,0,0,0|1,0,0]=3 4479 B10R0.55 CCC(=O)OCOCC(C)F bdc2e17d65dcdda9bc27b3d219055e42 [1,1,0,0,0,0|1,0,0]=3 4480 B10R0.55 CCC(=O)OCOCC(C)S db899e7a4487b1b2bfcdab1b91ffb327 [1,1,0,0,0,0|1,0,0]=3 4481 B10R0.55 CCC(=O)OCOCC(F)F 78e0f013ad167144eb0b0da7aa89a377 [1,1,0,0,0,0|2,0,0]=4 4482 B10R0.55 CCC(=O)OCOC[C@@H](C)F 664630fd17cd2e25d0268cb50408650b [1,1,0,0,0,0|1,0,0]=3 4483 B10R0.55 CCC(=O)OCOC[C@H](C)F 764476e3ee53b7ac6bc7a6ae61704d35 [1,1,0,0,0,0|1,0,0]=3 4484 B10R0.55 CCC(C)OCCCC(C)C 7292591b3a33d8ddb2501130515f0a24 [1,1,0,0,0,0|1,0,1]=4 4485 B10R0.55 CC[C@@H](C)OCCCC(C)C 681b2627835725bc1ffe460c69ea17eb [1,1,0,0,0,0|1,0,1]=4 4486 B10R0.55 CC[C@H](C)OCCCC(C)C f178e2b0f68146cb8a49bb25f8cda50f [1,1,0,0,0,0|1,0,1]=4 4487 B10R0.55 COC(=O)OCCOC(C)C 47f102caac158c10eeac06c4fa9ec6d7 [1,1,0,0,0,0|2,0,0]=4 4488 B10R0.55 COC(=O)OCNCC(C)C a669c8f74be2965b2d6059b22886cdbf [1,1,0,0,0,0|2,0,0]=4 4489 B10R0.55 COC(=O)OCNCC(C)O 53b82a652904ec3f5053a646fc3e368a [1,1,0,0,0,0|2,0,0]=4 4490 B10R0.55 COC(=O)OCNC[C@@H](C)O cc8db4202d54f1de465fbd84158deb93 [1,1,0,0,0,0|2,0,0]=4 4491 B10R0.55 COC(=O)OCNC[C@H](C)O e409740b5ffb5b19b2f92eeccab09056 [1,1,0,0,0,0|2,0,0]=4 4492 B10R0.55 COC(=O)OCOCC(C)C a95660e0bfac02cd2481680219f20774 [1,1,0,0,0,0|2,0,0]=4 4493 B10R0.55 COC(=O)OCOCC(C)F c305c51621ddce36b150fb1676f6357d [1,1,0,0,0,0|2,0,0]=4 4494 B10R0.55 COC(=O)OCOCC(C)S 2a6766aeec8c7ffeee42af58dec8e7c2 [1,1,0,0,0,0|2,0,0]=4 4495 B10R0.55 COC(=O)OCOC[C@@H](C)F 4fa84f8d82dbfe23ea79b4d4d8294dc0 [1,1,0,0,0,0|2,0,0]=4 4496 B10R0.55 COC(=O)OCOC[C@H](C)F fea60dca804895e8600f9c0d286a0bd5 [1,1,0,0,0,0|2,0,0]=4 4497 B10R0.59 CCC(=O)CNCC(C)CC a4d13279e0ff8f2ad6ea0332dca71b40 [1,1,0,0,0,0|2,0,0]=4 4498 B10R0.59 CCC(=O)CNCC(O)CC aca81a365216580ec5ea22d1ef3a3d4f [1,1,0,0,0,0|2,0,0]=4 4499 B10R0.59 CCC(=O)CNC[C@@H](C)CC 27cc6ff71a950daa57e9e21f7de5ba24 [1,1,0,0,0,0|2,0,0]=4 4500 B10R0.59 CCC(=O)CNC[C@H](O)CC 05c3187aff4c4db781c91e5249d93621 [1,1,0,0,0,0|2,0,0]=4 4501 B10R0.59 CCC(=O)COCC(C)CC ef081adfaad2df22509bac2c9a895b9b [1,1,0,0,0,0|2,0,0]=4 4502 B10R0.59 CCC(=O)COC[C@@H](C)CC 02d0853befac175d877a6d9162c020f3 [1,1,0,0,0,0|2,0,0]=4 4503 B10R0.59 CCC(=O)COC[C@H](C)CC 670d12323da84db322a4a145ae8e8782 [1,1,0,0,0,0|2,0,0]=4 4504 B10R0.59 CCC(=O)NCCC(C)CC 60245c66976cfd1af2877c21e474514e [1,1,0,0,0,0|1,0,0]=3 4505 B10R0.59 CCC(=O)NCCC(C)CO aa59a236d8a3d41e0c307cea7bd6d8f8 [1,1,0,0,0,0|2,0,0]=4 4506 B10R0.59 CCC(=O)NCCC(O)CO 3b5cfc37debe5597469ae583bd4c82a7 [1,1,0,0,0,0|2,0,0]=4 4507 B10R0.59 CCC(=O)NCC[C@@H](C)CO 902b54448893cc2442965673ff394eaf [1,1,0,0,0,0|2,0,0]=4 4508 B10R0.59 CCC(C)CCNC(=O)CF 47a9c9a1c3e1cf5bc44ffc3a7ae9fe12 [1,1,0,0,0,0|2,0,0]=4 4509 B10R0.59 CCC(C)CCNC(=O)CO f47b5736c2f294d7cff6e36ed78ca850 [1,1,0,0,0,0|2,0,0]=4 4510 B10R0.59 CCC(C)CCNC(=O)CS 7abecdbd4bba245c4a9ed68c22e0afed [1,1,0,0,0,0|2,0,0]=4 4511 B10R0.59 CCC(C)CCOC(C)CC d8b6ebca2ed4ad478ce0c3c8698c7359 [1,1,0,0,0,0|1,0,1]=4 4512 B10R0.59 CCC(C)CCO[C@@H](C)CC f1e2fae39af9a89f079de57f73fabfd4 [1,1,0,0,0,0|1,0,1]=4 4513 B10R0.59 CCC(C)CCO[C@H](C)CC 75abce699b887269d61c64bac720faa3 [1,1,0,0,0,0|1,0,1]=4 4514 B10R0.59 CCC(C)OCC[C@@H](C)CC 7928d3aa18277f2f8463d0181942099e [1,1,0,0,0,0|1,0,1]=4 4515 B10R0.59 CCC(S)CCOC(C)CC 191933bf7126f6e38c6d154fa381027b [1,1,0,0,0,0|1,0,1]=4 4516 B10R0.75 C=C(C)C(=O)NCCCCC 0d395da954277cf73f296326067ead17 [1,1,0,0,0,0|1,0,1]=4 4517 B10R0.75 C=C(C)C(=O)OCCOCC 931401166c335e42c85ae186270f0824 [1,1,0,0,0,0|1,0,1]=4 4518 B10R0.75 CC(C)C(=O)OCCOCF b0d32d78ec9c841e6759493746f3865a [1,1,0,0,0,0|2,0,0]=4 4519 B10R0.75 CC(C)C(=O)OCNCCBr 8510d4d9ad1e91b07f1a269c4f1accb5 [1,1,0,0,0,0|2,0,0]=4 4520 B10R0.75 CC(C)C(=O)OCNCCF d3ad27aa4b0e1c886fa9979e0acff251 [1,1,0,0,0,0|2,0,0]=4 4521 B10R0.75 CC(C)C(=O)OCNCCI 9216f96814b0159a40554d33760f53c8 [1,1,0,0,0,0|2,0,0]=4 4522 B10R0.75 CC(C)C(=O)OCNCCO ef4364d6d191be841ad2846f0417f82b [1,1,0,0,0,0|2,0,0]=4 4523 B10R0.75 CC(C)C(=O)OCNCCS 9c4b65d4c0fce87ba0a2c29ed5a06a2c [1,1,0,0,0,0|2,0,0]=4 4524 B10R0.75 CC(C)C(=O)OCOCCF 32d937d79b98121849d0d2a5cf4ecf2e [1,1,0,0,0,0|2,0,0]=4 4525 B10R0.75 CC(C)C(=O)OCOCCS dd61e3852b5fcff1f63be23abc121d9e [1,1,0,0,0,0|2,0,0]=4 4526 B10R0.75 CC(F)C(=O)NCCCCCl 68227e4f7043c13bd579e498c8b2e57e [1,1,0,0,0,0|2,0,0]=4 4527 B10R0.75 CC(F)C(=O)NCCCCO c29d39d609e0980bad3ccc8454555d15 [1,1,0,0,0,0|2,0,0]=4 4528 B10R0.75 CC(F)C(=O)NCCCCS 71232364cbcbc2e412ed13fed8b058d0 [1,1,0,0,0,0|2,0,0]=4 4529 B10R0.75 CC(O)C(=O)NCCCCCl 5a6a3edcf8ec9b1499a6c0e4f05a6957 [1,1,0,0,0,0|2,0,0]=4 4530 B10R0.75 CC(O)C(=O)NCCCCO 2097b1cbd6968fc4d7cafdd6e1a23ffa [1,1,0,0,0,0|2,0,0]=4 4531 B10R0.75 CC(O)C(=O)NCCCCS d1170d2173feecaac98fa4e75a536b27 [1,1,0,0,0,0|2,0,0]=4 4532 B10R0.75 CC(S)C(=O)NCCCCCl baf1117194433cbc5dcd6c491bb9807f [1,1,0,0,0,0|2,0,0]=4 4533 B10R0.75 CC(S)C(=O)NCCCCO 3bc60e5337e85b7b99cc34b626b564cc [1,1,0,0,0,0|2,0,0]=4 4534 B10R0.75 CC(S)C(=O)NCCCCS a3e208e1f3840ec0fcaaddda8d985d96 [1,1,0,0,0,0|2,0,0]=4 4535 B10R0.75 CCCCCNC(=O)C(=O)C c5fb44bad35effa93753dbab29597d86 [1,1,0,0,0,0|1,0,1]=4 4536 B10R0.75 CCCCCNC(=O)C(C)F f74fd7c5df82ce4350c9ee3a9d71124c [1,1,0,0,0,0|1,0,0]=3 4537 B10R0.75 CCCCCNC(=O)C(C)O 8f5a10b89b3be95ffbd8765b41efe6d0 [1,1,0,0,0,0|1,0,0]=3 4538 B10R0.75 CCCCCNC(=O)C(C)S 2eb3f110e7e640010786699a7830eb28 [1,1,0,0,0,0|1,0,0]=3 4539 B10R0.75 CCCCCNC(=O)C(F)F aacb50056b109410893447d819fa6e23 [1,1,0,0,0,0|2,0,0]=4 4540 B10R0.75 CCCCCNC(=O)C(O)O 63321d5d5d5b76fd0a0d3effa4966298 [1,1,0,0,0,0|2,0,0]=4 4541 B10R0.75 CCCCCNC(=O)[C@@H](C)F 66d7e0bb77af6c7401618dd7c4ab1638 [1,1,0,0,0,0|1,0,0]=3 4542 B10R0.75 CCCCCNC(=O)[C@@H](C)O 84f3183c831e94915245b73813ad4dbd [1,1,0,0,0,0|1,0,0]=3 4543 B10R0.75 CCCCCNC(=O)[C@H](C)F 959c2d4a793deece256e7086b418a6d3 [1,1,0,0,0,0|1,0,0]=3 4544 B10R0.75 CCCCCNC(=O)[C@H](C)O 04f72f3223bc2f6e46acdb3b80548911 [1,1,0,0,0,0|1,0,0]=3 4545 B10R0.75 CCCCCOC(C)C(C)C 6d3c8b4cf2f09ddf4d6735f537b6e422 [1,1,0,0,0,0|1,0,1]=4 4546 B10R0.75 CCCCCOC(C)C(C)S 5690682319493ed3e20ee09f2333fdf8 [1,1,0,0,0,0|1,0,1]=4 4547 B10R0.75 CCCCCO[C@@H](C)C(C)C 17428fccc597ebe2e164d3cff6f3c049 [1,1,0,0,0,0|1,0,1]=4 4548 B10R0.75 CCCCCO[C@H](C)C(C)C fdcfd9a830d3edff1966266355625287 [1,1,0,0,0,0|1,0,1]=4 4549 B10R0.75 CCCCNCC(=O)C(C)C 13893f96c28bfe55acd19693b52a96d8 [1,1,0,0,0,0|2,0,0]=4 4550 B10R0.75 CCCCOCC(=O)C(C)C e9ef953a4e368fd4c3e6fe8af934ea0e [1,1,0,0,0,0|2,0,0]=4 4551 B10R0.75 CCCNCOC(=O)C(C)C aeadb25116a643c15afe2351ad5fb408 [1,1,0,0,0,0|1,0,0]=3 4552 B10R0.75 CCCOCNC(=O)C(C)C bea66e281d2e8baab5160e1bb57958bd [1,1,0,0,0,0|2,0,0]=4 4553 B10R0.75 CCCOCOC(=O)C(C)C 755ac85f06a547ee9c25e8899f434de6 [1,1,0,0,0,0|1,0,0]=3 4554 B10R0.75 CCOCCNC(=O)C(C)F 0b08e3021157c5ca8c002279b58f8bae [1,1,0,0,0,0|2,0,0]=4 4555 B10R0.75 CCOCCNC(=O)C(C)O 0b68677b798b0bf168b14ef5c590c5f1 [1,1,0,0,0,0|2,0,0]=4 4556 B10R0.75 CCOCCNC(=O)C(C)S cf50984dc1d63e48b0506607e28ed71d [1,1,0,0,0,0|2,0,0]=4 4557 B10R0.75 CCOCCNC(=O)[C@@H](C)F a19a3b060d0305af3733acc26e0b31fd [1,1,0,0,0,0|2,0,0]=4 4558 B10R0.75 CCOCCNC(=O)[C@@H](C)O fa02ae8330c7233381163e728cb07a83 [1,1,0,0,0,0|2,0,0]=4 4559 B10R0.75 CCOCCNC(=O)[C@H](C)F d6f0089ffa71bb048bbc463eb160ee94 [1,1,0,0,0,0|2,0,0]=4 4560 B10R0.75 CCOCCNC(=O)[C@H](C)O f21734bb21292ef573922da80186ac01 [1,1,0,0,0,0|2,0,0]=4 4561 B10R0.75 CCOCCOC(=O)C(C)C affd3db659254ececa7c925a929e819f [1,1,0,0,0,0|1,0,0]=3 4562 B10R0.75 CCSCCNC(=O)C(C)F fca60084399f8aee60141142f14dddbf [1,1,0,0,0,0|2,0,0]=4 4563 B10R0.75 CCSCCNC(=O)C(C)O 57714dbda06f440e31b7892a3ccb2aa5 [1,1,0,0,0,0|2,0,0]=4 4564 B10R0.75 CCSCCNC(=O)C(C)S d3dc320fe51d40c2824356ec586612c7 [1,1,0,0,0,0|2,0,0]=4 4565 B10R0.75 CCSCCNC(=O)[C@@H](C)F 3daed7bb54d8e6623f860fd3649f3ebb [1,1,0,0,0,0|2,0,0]=4 4566 B10R0.75 CCSCCNC(=O)[C@@H](C)O ddc6255e03697d027b7292d5b0964a51 [1,1,0,0,0,0|2,0,0]=4 4567 B10R0.75 CCSCCNC(=O)[C@H](C)F d8d4fedba6d93b584eacc4961371f1ed [1,1,0,0,0,0|2,0,0]=4 4568 B10R0.75 CCSCCNC(=O)[C@H](C)O 0b24c0c3ffac541ff504e8b8a51e674d [1,1,0,0,0,0|2,0,0]=4 4569 B10R0.75 COCCCNC(=O)C(C)F 26b3473e35bdf77917595e40e8468522 [1,1,0,0,0,0|2,0,0]=4 4570 B10R0.75 COCCCNC(=O)C(C)O 74cbdca356c3a2a03d6bf99aaf1140a0 [1,1,0,0,0,0|2,0,0]=4 4571 B10R0.75 COCCCNC(=O)C(C)S aab0e45201879a1038dce54c99f5dc3e [1,1,0,0,0,0|2,0,0]=4 4572 B10R0.75 COCCCNC(=O)[C@@H](C)F f023b78059be202d30208efd2ea99f2b [1,1,0,0,0,0|2,0,0]=4 4573 B10R0.75 COCCCNC(=O)[C@@H](C)O 5e43386578c0d025031262ad8e26a371 [1,1,0,0,0,0|2,0,0]=4 4574 B10R0.75 COCCCNC(=O)[C@H](C)F 4d87d393ef6f229c462e7abd8dc68bf6 [1,1,0,0,0,0|2,0,0]=4 4575 B10R0.75 COCCCNC(=O)[C@H](C)O d6efd4e329058b4066f5e247f9a79b23 [1,1,0,0,0,0|2,0,0]=4 4576 B10R0.75 COCOCOC(=O)C(C)C e8c177d4480099f4f0fe4d2bcee50a7b [1,1,0,0,0,0|2,0,0]=4 4577 B10R0.75 CSCCCNC(=O)C(C)F 8f4542b2e7451f375ed12a3a2679e60e [1,1,0,0,0,0|2,0,0]=4 4578 B10R0.75 CSCCCNC(=O)C(C)O fbfb8c0ac46929ae3c9842999a76994f [1,1,0,0,0,0|2,0,0]=4 4579 B10R0.75 CSCCCNC(=O)C(C)S d065dfef556b306fbcc9ec0579703e85 [1,1,0,0,0,0|2,0,0]=4 4580 B10R0.75 CSCCCNC(=O)[C@@H](C)F 6faebe216fe79f0380bd56349452b7cc [1,1,0,0,0,0|2,0,0]=4 4581 B10R0.75 CSCCCNC(=O)[C@@H](C)O f9f7341605991f3a2838a3dde6e34efa [1,1,0,0,0,0|2,0,0]=4 4582 B10R0.75 CSCCCNC(=O)[C@H](C)F 270b6e31f05cde2d16a7e02995f4c9c4 [1,1,0,0,0,0|2,0,0]=4 4583 B10R0.75 CSCCCNC(=O)[C@H](C)O 8ffcca4095242a782b6a86e7be83d234 [1,1,0,0,0,0|2,0,0]=4 4584 B10R0.75 C[C@@H](F)C(=O)NCCCCCl 624e712b237c2dd38ffeb6ae471882f3 [1,1,0,0,0,0|2,0,0]=4 4585 B10R0.75 C[C@@H](F)C(=O)NCCCCO 7132fced29a816a4b5952ea442c38c32 [1,1,0,0,0,0|2,0,0]=4 4586 B10R0.75 C[C@@H](F)C(=O)NCCCCS 9626d402a1c2e146a875406905039851 [1,1,0,0,0,0|2,0,0]=4 4587 B10R0.75 C[C@@H](O)C(=O)NCCCCCl 400f16c10e3fc1a84175825c48312b19 [1,1,0,0,0,0|2,0,0]=4 4588 B10R0.75 C[C@@H](O)C(=O)NCCCCO 83f82a79af4729ed0fb2906e22d79b44 [1,1,0,0,0,0|2,0,0]=4 4589 B10R0.75 C[C@@H](O)C(=O)NCCCCS 63e8b537645a36d85c961140a3d29ca4 [1,1,0,0,0,0|2,0,0]=4 4590 B10R0.75 C[C@H](F)C(=O)NCCCCCl 9feebce51fe3bba81407843015a3245f [1,1,0,0,0,0|2,0,0]=4 4591 B10R0.75 C[C@H](F)C(=O)NCCCCO 68f82456b7b71d5fe55b9198522523e4 [1,1,0,0,0,0|2,0,0]=4 4592 B10R0.75 C[C@H](F)C(=O)NCCCCS c509624549d1e2e68713a79287ba1320 [1,1,0,0,0,0|2,0,0]=4 4593 B10R0.75 C[C@H](O)C(=O)NCCCCCl 6f5bf1a1f4918724a78e949220680002 [1,1,0,0,0,0|2,0,0]=4 4594 B10R0.75 C[C@H](O)C(=O)NCCCCO ef28ff4f4da4b33a8e502e1bdaefd6f8 [1,1,0,0,0,0|2,0,0]=4 4595 B10R0.75 C[C@H](O)C(=O)NCCCCS 1c8f70135e99feba7e94d9e22fec9221 [1,1,0,0,0,0|2,0,0]=4 4596 B12R0.2 C=C(C)CC(=O)NC(C)CCCC b42c97d498b8bd75f0958739cc4b71a1 [0,2,0,0,0,0|1,0,1]=4 4597 B12R0.2 C=C(C)CC(=O)N[C@H](C)CCCC e3d40ca9139c5617c4963e49da629281 [0,2,0,0,0,0|1,0,1]=4 4598 B12R0.2 CC(C)CC(=O)NC(C)CCCO 20498b1725c93eb48de67eb70006b328 [0,2,0,0,0,0|2,0,0]=4 4599 B12R0.2 CC(C)CC(=O)N[C@H](C)CCCO 356f8455f3091c252c08063976972f67 [0,2,0,0,0,0|2,0,0]=4 4600 B12R0.2 CC(CCCO)NC(=O)C[C@@H](C)O 392583a321dc941ec81f17eb471a8a08 [0,2,0,0,0,0|2,0,0]=4 4601 B12R0.2 CC(CCCO)NC(=O)C[C@H](C)O 99697fa0f3843d56fa156a46ab8caa69 [0,2,0,0,0,0|2,0,0]=4 4602 B12R0.2 CC(O)CC(=O)NC(C)CCCO e1121c2deac8d23078676875eafe3142 [0,2,0,0,0,0|2,0,0]=4 4603 B12R0.2 CC(O)CC(=O)N[C@H](C)CCCO bd90f018113e0f2deb8600366b388f47 [0,2,0,0,0,0|2,0,0]=4 4604 B12R0.2 CCCCC(C)NC(=O)CC(=O)C d8aba97518a936fdf9d6ffce18d657e8 [0,2,0,0,0,0|1,0,1]=4 4605 B12R0.2 CCCCC(C)NC(=O)CC(C)C bd301d8612e7f1eab3bfbc5577dccae6 [0,2,0,0,0,0|1,0,0]=3 4606 B12R0.2 CCCCC(C)NC(=O)CC(C)O 3e6b308be32322dd112535beb4880b59 [0,2,0,0,0,0|1,0,0]=3 4607 B12R0.2 CCCCC(C)NC(=O)CC(F)F f9a6a6cd7ae57118091c0cc80af0b0da [0,2,0,0,0,0|2,0,0]=4 4608 B12R0.2 CCCCC(C)NC(=O)CN(C)C bb08b7ed62e6a8e9ced8484ca9317f75 [0,2,0,0,0,0|2,0,0]=4 4609 B12R0.2 CCCCC(C)NC(=O)C[C@@H](C)O 51c3ae7e21a8ff36f2be66edfd90a334 [0,2,0,0,0,0|1,0,0]=3 4610 B12R0.2 CCCCC(C)NC(=O)C[C@H](C)O a234d39f971d410a2eb8b5f551d75aac [0,2,0,0,0,0|1,0,0]=3 4611 B12R0.2 CCCCC(C)OC(C)CC(C)C 0a4432f48169e5c2e08a8687b666469f [0,2,0,0,0,0|1,0,1]=4 4612 B12R0.2 CCCCC(C)O[C@@H](C)CC(C)C 7d3da19f938792a7547b3769b4d86eb2 [0,2,0,0,0,0|1,0,1]=4 4613 B12R0.2 CCCCC(C)O[C@H](C)CC(C)C 342ad2b9482bca9bd8e2b894940c1f2b [0,2,0,0,0,0|1,0,1]=4 4614 B12R0.2 CCCCN(C)CC(=O)CC(C)C 68d966d202ea1130e5d9abb90fb1a585 [0,2,0,0,0,0|2,0,0]=4 4615 B12R0.2 CCCC[C@@H](C)NC(=O)CC(=O)C eb93a708f719d85f90087a6e60d1b4f6 [0,2,0,0,0,0|1,0,1]=4 4616 B12R0.2 CCCC[C@@H](C)NC(=O)CC(C)C a1f7125c66a26134f858985bfa580b94 [0,2,0,0,0,0|1,0,0]=3 4617 B12R0.2 CCCC[C@@H](C)NC(=O)CC(C)O 84a59cfccf0e3dea67694c5bbde76418 [0,2,0,0,0,0|1,0,0]=3 4618 B12R0.2 CCCC[C@@H](C)NC(=O)CC(F)F cafc6fbbf0df4334bbb46c028709cc9c [0,2,0,0,0,0|2,0,0]=4 4619 B12R0.2 CCCC[C@@H](C)NC(=O)CN(C)C 70f326e4e004c32dc1a315940a5c98ae [0,2,0,0,0,0|2,0,0]=4 4620 B12R0.2 CCCC[C@@H](C)NC(=O)C[C@@H](C)O 2ed7945d2d681ea28ab7f94f70318862 [0,2,0,0,0,0|1,0,0]=3 4621 B12R0.2 CCCC[C@@H](C)NC(=O)C[C@H](C)O a017a4e41b1209920059ce5e97a83163 [0,2,0,0,0,0|1,0,0]=3 4622 B12R0.2 CCCC[C@@H](C)OC(C)CC(C)C ec1e5df070c9fc492a805dc057f5045b [0,2,0,0,0,0|1,0,1]=4 4623 B12R0.2 CCCC[C@H](C)OC(C)CC(C)C e84b92aac9e7668635aa77690007c059 [0,2,0,0,0,0|1,0,1]=4 4624 B12R0.2 CCCNC(C)OC(=O)OC(C)C 58a7b1b66d57a2b537e2b1e97ce0e1f5 [0,2,0,0,0,0|2,0,0]=4 4625 B12R0.2 CCCOC(C)OC(=O)OC(C)C 1e6abad5b83215fa098349ed48f839d4 [0,2,0,0,0,0|2,0,0]=4 4626 B12R0.2 C[C@H](CCCO)NC(=O)C[C@@H](C)O 5674cd7d6b145449a9aa48d7734964c7 [0,2,0,0,0,0|2,0,0]=4 4627 B12R0.2 C[C@H](O)CC(=O)N[C@H](C)CCCO 8e37bb3930ce81523ebb0473d7dbfd96 [0,2,0,0,0,0|2,0,0]=4 4628 B12R0.4 C#CCCCCNC(=O)CC(C)C 9db4f75495a7ad9f8dfd457b48dd5297 [0,2,0,0,0,0|1,0,1]=4 4629 B12R0.4 C#CCCCCNC(=O)CC(C)O 2b237c05ee4b9241588c040f8718975c [0,2,0,0,0,0|1,0,1]=4 4630 B12R0.4 C#CCCCCNC(=O)C[C@@H](C)O eae3932c8cba5a97ff21bfe35223f912 [0,2,0,0,0,0|1,0,1]=4 4631 B12R0.4 C#CCCCCNC(=O)C[C@H](C)O be388e7a281b8837ad24642faacc5fa6 [0,2,0,0,0,0|1,0,1]=4 4632 B12R0.4 C#CCCCOCC(=O)CC(C)C 99d08094f145ae0ac756553ce330ade1 [0,2,0,0,0,0|0,0,2]=4 4633 B12R0.4 C#CCCNCOC(=O)CC(C)C 6070022985bebac8b30fde9d89072390 [0,2,0,0,0,0|0,0,2]=4 4634 B12R0.4 C#CCCOCOC(=O)CC(C)C 9bff898cba1c5b3ca924bfc269d5b222 [0,2,0,0,0,0|0,0,2]=4 4635 B12R0.4 C/C=C/CCOCC(=O)CC(C)C 1165b6d22bf6f574441253f2bec44fb9 [0,2,0,0,0,0|0,0,2]=4 4636 B12R0.4 C/C=C/COCOC(=O)CC(C)C 4c03486153462dffbbd4d434a96a18c7 [0,2,0,0,0,0|0,0,2]=4 4637 B12R0.4 C/C=C\COCOC(=O)CC(C)C f6a86e26a5457dac9ea17b381133a13a [0,2,0,0,0,0|0,0,2]=4 4638 B12R0.4 C=C(C)CC(=O)NCCCCCC fec25621f2825091ec6bfd351ae0d4b6 [0,2,0,0,0,0|1,0,1]=4 4639 B12R0.4 C=C(C)CC(=O)NCCCCCCl 5961f30f17484a630689cce6c19eee01 [0,2,0,0,0,0|1,0,1]=4 4640 B12R0.4 C=C(C)CC(=O)NCCCCCO 1c7658bdb45e1d0c26538d988a1b5bd1 [0,2,0,0,0,0|1,0,1]=4 4641 B12R0.4 C=C(C)CC(=O)NCCCCOC 863472b01331d5b4f2a44e3dbe94e1a8 [0,2,0,0,0,0|1,0,1]=4 4642 B12R0.4 C=C(C)CC(=O)NCCCCSC d728fafb0601aad66895073543185a5d [0,2,0,0,0,0|1,0,1]=4 4643 B12R0.4 C=C(C)CC(=O)NCCCOCC c1a6fa27698a70b02789bf0f7a6d2cc0 [0,2,0,0,0,0|1,0,1]=4 4644 B12R0.4 C=C(C)CC(=O)NCCOCCC 81d53720b553c2923406d729f5351e4b [0,2,0,0,0,0|1,0,1]=4 4645 B12R0.4 C=CCCCCNC(=O)CC(C)C 2ee8c5dd8e2f58eb38e0f477f6ef68ed [0,2,0,0,0,0|1,0,1]=4 4646 B12R0.4 C=CCCCCNC(=O)CC(C)O 8546ebbbe4ffa2b590e7bcdb25337892 [0,2,0,0,0,0|1,0,1]=4 4647 B12R0.4 C=CCCCCNC(=O)C[C@@H](C)O 19a6c65ce62c8275414e646bac3c59c5 [0,2,0,0,0,0|1,0,1]=4 4648 B12R0.4 C=CCCCCNC(=O)C[C@H](C)O b129ecdbc2eb8bfe7dfefd0a235a4772 [0,2,0,0,0,0|1,0,1]=4 4649 B12R0.4 C=CCCCOCC(=O)CC(C)C 69b328fceb67737024bab0d7bf3aa7a6 [0,2,0,0,0,0|0,0,2]=4 4650 B12R0.4 C=CCCNCOC(=O)CC(C)C 5430bca151d121359ce97f3b8bc5a267 [0,2,0,0,0,0|0,0,2]=4 4651 B12R0.4 C=CCCOCOC(=O)CC(C)C ade786c9cba61d7710e121da78ad90e5 [0,2,0,0,0,0|0,0,2]=4 4652 B12R0.4 CC#CCCOCC(=O)CC(C)C 6257dda33f001944b5b8362cde51ad79 [0,2,0,0,0,0|0,0,2]=4 4653 B12R0.4 CC#CCNCOC(=O)CC(C)C 017fcee885f77b39f0212aa89b867283 [0,2,0,0,0,0|0,0,2]=4 4654 B12R0.4 CC#CCOCOC(=O)CC(C)C 4aad6fa2434f6bdf2b7c3729adf636e8 [0,2,0,0,0,0|0,0,2]=4 4655 B12R0.4 CC(=O)CC(=O)NCCCCCCl 34dfc4ef6b912e172a985efdfddfcd6f [0,2,0,0,0,0|1,0,1]=4 4656 B12R0.4 CC(=O)CC(=O)NCCCCCO 9927336fb3014318285053d05b26c9f5 [0,2,0,0,0,0|1,0,1]=4 4657 B12R0.4 CC(=O)CC(=O)OCCNCCBr 6a9fe08abb22e72ab2739a52199b5ce8 [0,2,0,0,0,0|1,0,1]=4 4658 B12R0.4 CC(=O)CC(=O)OCCNCCF da63fd7d34c269cc0e884df51d5580bb [0,2,0,0,0,0|1,0,1]=4 4659 B12R0.4 CC(=O)CC(=O)OCCNCCI ecec8796d4cb095c0a65b556bde8653d [0,2,0,0,0,0|1,0,1]=4 4660 B12R0.4 CC(=O)CC(=O)OCCNCCO 0a25aa123d27b0e87e18cdb38e5d552b [0,2,0,0,0,0|1,0,1]=4 4661 B12R0.4 CC(=O)CC(=O)OCCNCCS 8b9da3ef86ebb052c1421f3ebd23d40d [0,2,0,0,0,0|1,0,1]=4 4662 B12R0.4 CC(=O)CC(=O)OCCOCCF 75ab3942452f2210cc0896da123f4313 [0,2,0,0,0,0|1,0,1]=4 4663 B12R0.4 CC(=O)CC(=O)OCCOCCS df447e88bd74d1666228bba5c0c0f5c7 [0,2,0,0,0,0|1,0,1]=4 4664 B12R0.4 CC(C)CC(=O)CNCCCCCl 0b29723f79de4a35b1a504000c10e1df [0,2,0,0,0,0|2,0,0]=4 4665 B12R0.4 CC(C)CC(=O)CNCCCCO a6dca13b51ccd87da736c2c60cf069c6 [0,2,0,0,0,0|2,0,0]=4 4666 B12R0.4 CC(C)CC(=O)CNCCCCS e4cebed4f132be5224f9d79204d48128 [0,2,0,0,0,0|2,0,0]=4 4667 B12R0.4 CC(C)CC(=O)COCCCC#N bdbd6edb1f78170898575e347673a956 [0,2,0,0,0,0|1,0,1]=4 4668 B12R0.4 CC(C)CC(=O)COCCCC=O 34b6654c59bb8faa6f9068fa48a0f98f [0,2,0,0,0,0|1,0,1]=4 4669 B12R0.4 CC(C)CC(=O)COCCCCF 3cb55a3e9bfb1f0551d459e5ba84f6f9 [0,2,0,0,0,0|1,0,0]=3 4670 B12R0.4 CC(C)CC(=O)COCCCCS ae7578da153d67af849bf5d0401d84a6 [0,2,0,0,0,0|1,0,0]=3 4671 B12R0.4 CC(C)CC(=O)NCCCCC#N c67c8ec28a3ee92658144ec222d90063 [0,2,0,0,0,0|1,0,1]=4 4672 B12R0.4 CC(C)CC(=O)NCCCCCCl 1f45033b1f7f737d3eeba2ebdf47b76f [0,2,0,0,0,0|1,0,0]=3 4673 B12R0.4 CC(C)CC(=O)NCCCCCO 39601ebabcda5b0f5f52243cbb094155 [0,2,0,0,0,0|1,0,0]=3 4674 B12R0.4 CC(C)CC(=O)NCCOCCO 0cd3c15e9dc9eb7d36f00bfad39bf1b9 [0,2,0,0,0,0|2,0,0]=4 4675 B12R0.4 CC(C)CC(=O)NCCOCCS 4c8919fb83647451b8c84df5dd4fd958 [0,2,0,0,0,0|2,0,0]=4 4676 B12R0.4 CC(C)CC(=O)NCCSCCO 4a4f6555833ddcc2592f8bcf08973ba9 [0,2,0,0,0,0|2,0,0]=4 4677 B12R0.4 CC(C)CC(=O)OCNCCC#N 7fd6674d446c1ca789bf56762f638f12 [0,2,0,0,0,0|1,0,1]=4 4678 B12R0.4 CC(C)CC(=O)OCNCCCCl 2daafa481a81b53ef3539fe31e646cda [0,2,0,0,0,0|1,0,0]=3 4679 B12R0.4 CC(C)CC(=O)OCNCCCO edd7e5df3e845b5f6a2d0122b29dcc23 [0,2,0,0,0,0|1,0,0]=3 4680 B12R0.4 CC(C)CC(=O)OCNCCON ca7f5c42de0f960d60d68ae41c04d9c9 [0,2,0,0,0,0|2,0,0]=4 4681 B12R0.4 CC(C)CC(=O)OCOCCC#N ac69379627745c4668be2da932d94a1d [0,2,0,0,0,0|1,0,1]=4 4682 B12R0.4 CC(C)CC(=O)OCOCCC=O 6b9ca660da4f2b7d3e598215fba705f4 [0,2,0,0,0,0|1,0,1]=4 4683 B12R0.4 CC(C)CC(=O)OCOCCCF b1833dc774d9e06aabe917cf6b611f00 [0,2,0,0,0,0|1,0,0]=3 4684 B12R0.4 CC(C)CC(=O)OCOCCCS 22e669c597252d25ec876e8ac7acfe47 [0,2,0,0,0,0|1,0,0]=3 4685 B12R0.4 CC(C)CC(C)OCCCCCF 05d423bfbeda2810c028ff68a5a1d193 [0,2,0,0,0,0|1,0,1]=4 4686 B12R0.4 CC(C)C[C@@H](C)OCCCCCF cf7bab716e2ca0476a5a6514c624ee4a [0,2,0,0,0,0|1,0,1]=4 4687 B12R0.4 CC(C)C[C@H](C)OCCCCCF d12d6ad1f7e051f3d7f3b4efae30f943 [0,2,0,0,0,0|1,0,1]=4 4688 B12R0.4 CC(C)NC(=O)COCCCCF cc5fdf1b6f6789cf81d941f9c9f5c2aa [0,2,0,0,0,0|2,0,0]=4 4689 B12R0.4 CC(C)NC(=O)COCCCCS bd06910902abeb0270f43728bd32092d [0,2,0,0,0,0|2,0,0]=4 4690 B12R0.4 CC(C)OC(=O)COCCCCF c376249eb98f3c731bd65f2673f8d39d [0,2,0,0,0,0|2,0,0]=4 4691 B12R0.4 CC(C)OC(=O)COCCCCS 080fa7501d366091e93c67286036c28e [0,2,0,0,0,0|2,0,0]=4 4692 B12R0.4 CC(C)OC(=O)OCNCCCCl 8a08356488e35b9e05ed69a2a7073a03 [0,2,0,0,0,0|2,0,0]=4 4693 B12R0.4 CC(C)OC(=O)OCNCCCO 903fac84cc39b8cb022cb26ae6ede7a9 [0,2,0,0,0,0|2,0,0]=4 4694 B12R0.4 CC(C)OC(=O)OCOCCCF 228aee6c7f95e27c6db8d75fbdc200ff [0,2,0,0,0,0|2,0,0]=4 4695 B12R0.4 CC(C)OC(=O)OCOCCCS 1cc914d5f60333430d4af7fe9528d025 [0,2,0,0,0,0|2,0,0]=4 4696 B12R0.4 CC(O)CC(=O)NCCCCC#N d47c630c0de170b050a316eb88e768c1 [0,2,0,0,0,0|1,0,1]=4 4697 B12R0.4 CC(O)CC(=O)NCCCCCCl 695e2375256ee55835ab003e3691b3ad [0,2,0,0,0,0|1,0,0]=3 4698 B12R0.4 CC(O)CC(=O)NCCCCCO f1934e3d32f61937c50698f5901f099a [0,2,0,0,0,0|1,0,0]=3 4699 B12R0.4 CC(O)CC(=O)NCCOCCO 3717324b85ae4338e2671ec1aac12d83 [0,2,0,0,0,0|2,0,0]=4 4700 B12R0.4 CC(O)CC(=O)NCCOCCS d6091c0aa2c835489c2d7bb0d8295b37 [0,2,0,0,0,0|2,0,0]=4 4701 B12R0.4 CC(O)CC(=O)NCCSCCO 78359eea48c981c873c90b65db375e7d [0,2,0,0,0,0|2,0,0]=4 4702 B12R0.4 CC/C=C/COCC(=O)CC(C)C ea0d9305b3a45f1d1f0f4bf2f33a3be5 [0,2,0,0,0,0|0,0,2]=4 4703 B12R0.4 CC/C=C\COCC(=O)CC(C)C c7a68c976505b0ee4502e0173c895200 [0,2,0,0,0,0|0,0,2]=4 4704 B12R0.4 CC=CCNCOC(=O)CC(C)C 928807b26f693dd7577da6887d8ce561 [0,2,0,0,0,0|0,0,2]=4 4705 B12R0.4 CC=CCOCOC(=O)CC(C)C d5d4427477254d95cfcd3b9665b5a0d6 [0,2,0,0,0,0|0,0,2]=4 4706 B12R0.4 CCC#CCOCC(=O)CC(C)C 054788120c6021d65cd05ab3222d703a [0,2,0,0,0,0|0,0,2]=4 4707 B12R0.4 CCCCCCNC(=O)CC(=O)C d23d026f954447033b6d79a6556609b8 [0,2,0,0,0,0|1,0,1]=4 4708 B12R0.4 CCCCCCNC(=O)CC(C)C e2d134362e4b3b169a1a366090e8721d [0,2,0,0,0,0|1,0,0]=3 4709 B12R0.4 CCCCCCNC(=O)CC(C)O 32b3b559c8d90ec3b5ebd997d1c19579 [0,2,0,0,0,0|1,0,0]=3 4710 B12R0.4 CCCCCCNC(=O)CC(F)F d642f7224ee72d5dc73c0f7723f82d29 [0,2,0,0,0,0|2,0,0]=4 4711 B12R0.4 CCCCCCNC(=O)CN(C)C ae75e8c8caf87322890bb7e83b7a0a62 [0,2,0,0,0,0|2,0,0]=4 4712 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O d720b44ab195250c4b816c2522179c13 [0,2,0,0,0,0|1,0,0]=3 4713 B12R0.4 CCCCCCNC(=O)C[C@H](C)O 5de5d081808d5a3720bc88cf4dabcf1f [0,2,0,0,0,0|1,0,0]=3 4714 B12R0.4 CCCCCCOC(C)CC(C)C 6560c956dee98a278963955c67d66da6 [0,2,0,0,0,0|1,0,1]=4 4715 B12R0.4 CCCCCCO[C@@H](C)CC(C)C 1fedb3350284afee43b7173c9f16b760 [0,2,0,0,0,0|1,0,1]=4 4716 B12R0.4 CCCCCCO[C@H](C)CC(C)C cead5d22bcf79121f5c0623fc0b49e5d [0,2,0,0,0,0|1,0,1]=4 4717 B12R0.4 CCCCCNCC(=O)CC(C)C 44a613dfb5e5bef891f656e0cbe6cf01 [0,2,0,0,0,0|1,0,0]=3 4718 B12R0.4 CCCCCNCC(=O)NC(C)C 183a4f42ddfd6d59ddd50a4e0eadfb03 [0,2,0,0,0,0|2,0,0]=4 4719 B12R0.4 CCCCCNCC(=O)OC(C)C d976d333ee87ebeb009cf58b88e103e9 [0,2,0,0,0,0|2,0,0]=4 4720 B12R0.4 CCCCCOCC(=O)CC(=O)O f3ab651635350170b77a82ab18290137 [0,2,0,0,0,0|1,0,1]=4 4721 B12R0.4 CCCCCOCC(=O)CC(C)C c9f4e66b4bbf9b5f9530cc231f88e0a9 [0,2,0,0,0,0|0,0,0]=2 4722 B12R0.4 CCCCCOCC(=O)NC(=O)C 5ed1e2fc4abad69abdc687b7d5a62988 [0,2,0,0,0,0|1,0,1]=4 4723 B12R0.4 CCCCCOCC(=O)NC(C)C dba7d7ec2c1c22e183876fd3b917f601 [0,2,0,0,0,0|1,0,0]=3 4724 B12R0.4 CCCCCOCC(=O)OC(C)C f0793aa916f4836295bf296290c273cf [0,2,0,0,0,0|1,0,0]=3 4725 B12R0.4 CCCCCOCC(C)CC(C)C c7769006f5f658a3a18768a2e3a2ffa5 [0,2,0,0,0,0|1,0,1]=4 4726 B12R0.4 CCCCNCCC(=O)NC(C)C 3f56b9fd6c5b44e4b4ead9828463c4eb [0,2,0,0,0,0|2,0,0]=4 4727 B12R0.4 CCCCNCCC(=O)OC(C)C f0ebe927ffe22827f31b1c9d02521509 [0,2,0,0,0,0|2,0,0]=4 4728 B12R0.4 CCCCNCOC(=O)CC(C)C 2497fa83e769dfcbf16764adc038e036 [0,2,0,0,0,0|0,0,0]=2 4729 B12R0.4 CCCCNCOC(=O)OC(C)C 19ccc84f39517a1ddb3ea497aafb6536 [0,2,0,0,0,0|1,0,0]=3 4730 B12R0.4 CCCCOCCC(=O)NC(C)C 75dd429b117639d83d45bc096dd906c3 [0,2,0,0,0,0|2,0,0]=4 4731 B12R0.4 CCCCOCCC(=O)OC(C)C 369a7786ef01b8e8293f70c41a0691b5 [0,2,0,0,0,0|2,0,0]=4 4732 B12R0.4 CCCCOCOC(=O)CC(C)C 370e54c1f068cc289efc426b3fe9abc5 [0,2,0,0,0,0|0,0,0]=2 4733 B12R0.4 CCCCOCOC(=O)OC(C)C 434cad85f9743f7d11eea82c0cee7ec3 [0,2,0,0,0,0|1,0,0]=3 4734 B12R0.4 CCCCOCOC(C)CC(C)C 7a16e811a9b77f1cd33b3666c19beb10 [0,2,0,0,0,0|1,0,1]=4 4735 B12R0.4 CCCCOCO[C@@H](C)CC(C)C 97732bbd440966772d2a8a338cb0c940 [0,2,0,0,0,0|1,0,1]=4 4736 B12R0.4 CCCCOCO[C@H](C)CC(C)C a897cddc6e857eb9730eb280f075bcd2 [0,2,0,0,0,0|1,0,1]=4 4737 B12R0.4 CCCNCCNC(=O)NC(C)C 75127b5c1236f93ec1265b134af0e200 [0,2,0,0,0,0|2,0,0]=4 4738 B12R0.4 CCCNCCOC(=O)CC(=O)C 2fa44300c32d87a5742905fca3a3dc19 [0,2,0,0,0,0|0,0,1]=3 4739 B12R0.4 CCCOCCNC(=O)CC(=O)C 488bdfd59ee563b7b58eaf4769806434 [0,2,0,0,0,0|1,0,1]=4 4740 B12R0.4 CCCOCCNC(=O)CC(C)C 6b53d9e0ca955a59dff45695bfcfa823 [0,2,0,0,0,0|1,0,0]=3 4741 B12R0.4 CCCOCCNC(=O)CC(C)O 23d34135ec4d4cb31bba7003e2c43dbb [0,2,0,0,0,0|1,0,0]=3 4742 B12R0.4 CCCOCCNC(=O)CC(F)F 9437d7b117c61f4a5ac6ac1fca630e93 [0,2,0,0,0,0|2,0,0]=4 4743 B12R0.4 CCCOCCNC(=O)CN(C)C 6e25c03d71f2abb1598a95ff3b9a6a20 [0,2,0,0,0,0|2,0,0]=4 4744 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 30dc87323f04980da15514af4c3d8b32 [0,2,0,0,0,0|1,0,0]=3 4745 B12R0.4 CCCOCCNC(=O)C[C@H](C)O c26d75d5a4601257914dffef431078df [0,2,0,0,0,0|1,0,0]=3 4746 B12R0.4 CCCOCCOC(=O)CC(=O)C 2d92124473a605775e5060a69a70fc03 [0,2,0,0,0,0|0,0,1]=3 4747 B12R0.4 CCCOCCOC(C)CC(C)C 9523f427d1ee052064778419c3d5f970 [0,2,0,0,0,0|1,0,1]=4 4748 B12R0.4 CCCOCCO[C@@H](C)CC(C)C 55bc70c331cf08042661cf7b0a11ef7a [0,2,0,0,0,0|1,0,1]=4 4749 B12R0.4 CCCOCCO[C@H](C)CC(C)C 4794306ec4517a96a30bcb109153b3f7 [0,2,0,0,0,0|1,0,1]=4 4750 B12R0.4 CCCSCCOC(C)CC(C)C a3dfc87a3545e68906663c0f9d394340 [0,2,0,0,0,0|1,0,1]=4 4751 B12R0.4 CCOCCCNC(=O)CC(=O)C 43dbd09f819aab86bfb7df1721960914 [0,2,0,0,0,0|1,0,1]=4 4752 B12R0.4 CCOCCCNC(=O)CC(C)C 818ebf8f2fed2c7892fa98e71f4d7619 [0,2,0,0,0,0|1,0,0]=3 4753 B12R0.4 CCOCCCNC(=O)CC(C)O 7e0c7d8a45075de3cf854be15f71c82e [0,2,0,0,0,0|1,0,0]=3 4754 B12R0.4 CCOCCCNC(=O)CC(F)F 4f526a5bce3fa8470b80f47fd9c6c36c [0,2,0,0,0,0|2,0,0]=4 4755 B12R0.4 CCOCCCNC(=O)CN(C)C e5b3f0bd991b6a8ef19df9bcf840ec78 [0,2,0,0,0,0|2,0,0]=4 4756 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O abf3ec743e44271d3fb671b46cc7fd3e [0,2,0,0,0,0|1,0,0]=3 4757 B12R0.4 CCOCCCNC(=O)C[C@H](C)O 0402fae037cbc8e82e87dc84f13d6757 [0,2,0,0,0,0|1,0,0]=3 4758 B12R0.4 CCOCCCOC(C)CC(C)C cdafde57a4dd9d0e5079e321c2ca3f15 [0,2,0,0,0,0|1,0,1]=4 4759 B12R0.4 CCOCCCO[C@@H](C)CC(C)C 5b7269d4396defbc3e1a0be9711154bb [0,2,0,0,0,0|1,0,1]=4 4760 B12R0.4 CCOCCCO[C@H](C)CC(C)C 83c0568d1c1018a1a5250f6eae0d1c45 [0,2,0,0,0,0|1,0,1]=4 4761 B12R0.4 CCOCCNCC(=O)CC(C)C 625398cf34c14f37607a2b4a2cc47860 [0,2,0,0,0,0|2,0,0]=4 4762 B12R0.4 CCOCCOCC(=O)CC(C)C 3f21ccea1ebb2ee7f51fb95bd41ac04d [0,2,0,0,0,0|1,0,0]=3 4763 B12R0.4 CCOCCOCC(=O)NC(C)C 9dfa3cc16d704c998b564b0883c552e8 [0,2,0,0,0,0|2,0,0]=4 4764 B12R0.4 CCOCCOCC(=O)OC(C)C 4d7d94d06d9b0093885d40e02b8e4683 [0,2,0,0,0,0|2,0,0]=4 4765 B12R0.4 CCSCCCOC(C)CC(C)C be2c6d3db1993565cb898733ae9eef6b [0,2,0,0,0,0|1,0,1]=4 4766 B12R0.4 CCSCCCO[C@@H](C)CC(C)C dc874657970cbf115eedc62da421b8b1 [0,2,0,0,0,0|1,0,1]=4 4767 B12R0.4 CCSCCCO[C@H](C)CC(C)C dbecb6184afa6428b5493649039fb012 [0,2,0,0,0,0|1,0,1]=4 4768 B12R0.4 CCSCCNCC(=O)CC(C)C 4e1926bba96add0960a2e969698f21a2 [0,2,0,0,0,0|2,0,0]=4 4769 B12R0.4 CCSCCOCC(=O)CC(C)C 527d5e4b2e78fdf149f66d3e89405ac9 [0,2,0,0,0,0|1,0,0]=3 4770 B12R0.4 CCSCCOCC(=O)NC(C)C 06ae15003cf522501333f7f05c359587 [0,2,0,0,0,0|2,0,0]=4 4771 B12R0.4 CCSCCOCC(=O)OC(C)C c522a94ff745ebea8859dca79e82e0de [0,2,0,0,0,0|2,0,0]=4 4772 B12R0.4 CN(C)CC(=O)NCCCCCCl f79507a83c6d33b7b4fa971d942476ca [0,2,0,0,0,0|2,0,0]=4 4773 B12R0.4 CN(C)CC(=O)NCCCCCO a9945a15f930b4b1fad8698d77caf7f2 [0,2,0,0,0,0|2,0,0]=4 4774 B12R0.4 COCCCCNC(=O)CC(=O)C 6c4d9b545b4eddc30d9463c7719d8c16 [0,2,0,0,0,0|1,0,1]=4 4775 B12R0.4 COCCCCNC(=O)CC(C)C b8b473d14a2aa19c4777ecf0603fecb2 [0,2,0,0,0,0|1,0,0]=3 4776 B12R0.4 COCCCCNC(=O)CC(C)O a8e04034d183a8fbdb9a58b27bf0958e [0,2,0,0,0,0|1,0,0]=3 4777 B12R0.4 COCCCCNC(=O)CC(F)F c8b3506136db06d57cb49a45575cca26 [0,2,0,0,0,0|2,0,0]=4 4778 B12R0.4 COCCCCNC(=O)CN(C)C 2ee9412cfb50d6faff3b18c7219c09c6 [0,2,0,0,0,0|2,0,0]=4 4779 B12R0.4 COCCCCNC(=O)C[C@@H](C)O 09217f4f9fa0398c832e92ef7e2e7b15 [0,2,0,0,0,0|1,0,0]=3 4780 B12R0.4 COCCCCNC(=O)C[C@H](C)O 3b22249fb0898e5d3c810ae7f97a3a6f [0,2,0,0,0,0|1,0,0]=3 4781 B12R0.4 COCCCCOC(C)CC(C)C d108d3ae0d0ca1060b11e88ce195bf11 [0,2,0,0,0,0|1,0,1]=4 4782 B12R0.4 COCCCCO[C@@H](C)CC(C)C 15c77cd4128115f7963de25c49690886 [0,2,0,0,0,0|1,0,1]=4 4783 B12R0.4 COCCCCO[C@H](C)CC(C)C 5cafd1c89a3293510e20b2ef71a0684c [0,2,0,0,0,0|1,0,1]=4 4784 B12R0.4 COCCCNCC(=O)CC(C)C 213a339ffeff138829af90ae849c78d4 [0,2,0,0,0,0|2,0,0]=4 4785 B12R0.4 COCCCOCC(=O)CC(C)C 53a97c74b7af555ce1724fa7cffa693c [0,2,0,0,0,0|1,0,0]=3 4786 B12R0.4 COCCCOCC(=O)NC(C)C 67a8a8c209d839278a5b8bf2e89ad38f [0,2,0,0,0,0|2,0,0]=4 4787 B12R0.4 COCCCOCC(=O)OC(C)C 49e402f1093b055020bd7f51ac15bbc8 [0,2,0,0,0,0|2,0,0]=4 4788 B12R0.4 COCCNCOC(=O)CC(C)C 4cb490f1601106c860f25b6d25655c5c [0,2,0,0,0,0|1,0,0]=3 4789 B12R0.4 COCCNCOC(=O)OC(C)C cdc530471269cf21784bf56901f51f42 [0,2,0,0,0,0|2,0,0]=4 4790 B12R0.4 COCCOCOC(=O)CC(C)C 89960fbc347c5c1cb33ec68ae64bf414 [0,2,0,0,0,0|1,0,0]=3 4791 B12R0.4 COCCOCOC(=O)OC(C)C f66ed123539fcbe6d81ecbe660d9d037 [0,2,0,0,0,0|2,0,0]=4 4792 B12R0.4 COCOCCOC(=O)CC(=O)C 1eba0faabf9dc16774507cced50734b2 [0,2,0,0,0,0|1,0,1]=4 4793 B12R0.4 CSCCCCNC(=O)CC(=O)C 07dbcb41fbeab3e224df4cbb0917685c [0,2,0,0,0,0|1,0,1]=4 4794 B12R0.4 CSCCCCNC(=O)CC(C)C f7092d3086103518c3c35e18bf7dff9e [0,2,0,0,0,0|1,0,0]=3 4795 B12R0.4 CSCCCCNC(=O)CC(C)O f5ce1597960c2036157c0050d2ce0cc3 [0,2,0,0,0,0|1,0,0]=3 4796 B12R0.4 CSCCCCNC(=O)CC(F)F d674c813a0bd9983eda58ab9f84b6310 [0,2,0,0,0,0|2,0,0]=4 4797 B12R0.4 CSCCCCNC(=O)CN(C)C 1845d19d16b34c5cbb931f6f2d61b6b4 [0,2,0,0,0,0|2,0,0]=4 4798 B12R0.4 CSCCCCNC(=O)C[C@@H](C)O 817110ecc76fbda156e82a71cf2e3ca3 [0,2,0,0,0,0|1,0,0]=3 4799 B12R0.4 CSCCCCNC(=O)C[C@H](C)O 22f626ffc847013cdbb7b0075af47a48 [0,2,0,0,0,0|1,0,0]=3 4800 B12R0.4 CSCCCCOC(C)CC(C)C f572b784eef207b8a77d9df36c3ad9cd [0,2,0,0,0,0|1,0,1]=4 4801 B12R0.4 CSCCCNCC(=O)CC(C)C 8b05f639440417afac5e4e292c5456b8 [0,2,0,0,0,0|2,0,0]=4 4802 B12R0.4 CSCCCOCC(=O)CC(C)C cf33add081955b5be371745a89ea9212 [0,2,0,0,0,0|1,0,0]=3 4803 B12R0.4 CSCCCOCC(=O)NC(C)C dda856437228e496ff84ff280b44c522 [0,2,0,0,0,0|2,0,0]=4 4804 B12R0.4 CSCCCOCC(=O)OC(C)C fbd8fc200b9f694588e24bcf766dc709 [0,2,0,0,0,0|2,0,0]=4 4805 B12R0.4 CSCCNCOC(=O)CC(C)C aaa71aaa27f028bbbc78d0a63086f16f [0,2,0,0,0,0|1,0,0]=3 4806 B12R0.4 CSCCNCOC(=O)OC(C)C 1b5211ffc3d239d5c4f2ed6fe07bc118 [0,2,0,0,0,0|2,0,0]=4 4807 B12R0.4 CSCCOCOC(=O)CC(C)C 8227e618d22fc454982e380cac708ba3 [0,2,0,0,0,0|1,0,0]=3 4808 B12R0.4 CSCCOCOC(=O)OC(C)C 27a3bd6cb4f9b915e887879cd713aa70 [0,2,0,0,0,0|2,0,0]=4 4809 B12R0.4 C[C@@H](O)CC(=O)NCCCCC#N 1c2e2b4ba55cc09518a608ae3e9ab82c [0,2,0,0,0,0|1,0,1]=4 4810 B12R0.4 C[C@@H](O)CC(=O)NCCCCCCl 155d9eda2f5a89916d9ebc0a7769c227 [0,2,0,0,0,0|1,0,0]=3 4811 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 143d12efcae6b56933ae8c5b075ffc23 [0,2,0,0,0,0|1,0,0]=3 4812 B12R0.4 C[C@@H](O)CC(=O)NCCOCCO f1beffe3f3475fb11f3ad7902b1f89c3 [0,2,0,0,0,0|2,0,0]=4 4813 B12R0.4 C[C@@H](O)CC(=O)NCCOCCS c9a2c1cdfbc09c9be1adce75d01cfc33 [0,2,0,0,0,0|2,0,0]=4 4814 B12R0.4 C[C@@H](O)CC(=O)NCCSCCO 1226d1fab8d6897f07aef306f669864a [0,2,0,0,0,0|2,0,0]=4 4815 B12R0.4 C[C@H](O)CC(=O)NCCCCC#N c0342fcd863e59722f6cc366cf6ed0d1 [0,2,0,0,0,0|1,0,1]=4 4816 B12R0.4 C[C@H](O)CC(=O)NCCCCCCl 83c19f62aacd3fe6c92d27bc0398ee9f [0,2,0,0,0,0|1,0,0]=3 4817 B12R0.4 C[C@H](O)CC(=O)NCCCCCO b1570d654c2096fabceff30bbe1ed60e [0,2,0,0,0,0|1,0,0]=3 4818 B12R0.4 C[C@H](O)CC(=O)NCCOCCO edbccc8bf8fe7cee401d3045561217ef [0,2,0,0,0,0|2,0,0]=4 4819 B12R0.4 C[C@H](O)CC(=O)NCCOCCS 0c7b066bde20f1d53c018a40bd4b4c89 [0,2,0,0,0,0|2,0,0]=4 4820 B12R0.4 C[C@H](O)CC(=O)NCCSCCO 553b32b57fbfaf9daf7e397ea753ffd1 [0,2,0,0,0,0|2,0,0]=4 4821 B12R0.4 O=C(CC(F)F)NCCCCCCl e339124a36489df095660f98848844db [0,2,0,0,0,0|2,0,0]=4 4822 B12R0.4 O=C(CC(F)F)NCCCCCO 64303adb707d90491d6042addbb2c97e [0,2,0,0,0,0|2,0,0]=4 4823 B12R0.46 CC(C)C(F)C(=O)NCCCCCl 814fd05edf95301ffdf343e2525387ca [0,2,0,0,0,0|2,0,0]=4 4824 B12R0.46 CC(C)C(F)C(=O)NCCCCO e834f482bfbd062dcd91336fe1a4f77a [0,2,0,0,0,0|2,0,0]=4 4825 B12R0.46 CC(C)C(F)C(=O)NCCCCS 8082f7fb9ca7db332199fef367fd1ad1 [0,2,0,0,0,0|2,0,0]=4 4826 B12R0.46 CC(C)C(O)C(=O)NCCCCCl f3b377e12360430e875341274c2ed808 [0,2,0,0,0,0|2,0,0]=4 4827 B12R0.46 CC(C)C(O)C(=O)NCCCCO 1b260226be306896ddf2119c469af4be [0,2,0,0,0,0|2,0,0]=4 4828 B12R0.46 CC(C)C(O)C(=O)NCCCCS 050edb91fae81dcca9884702f06e8b66 [0,2,0,0,0,0|2,0,0]=4 4829 B12R0.46 CC(C)[C@@H](O)C(=O)NCCCCCl 89f96534b462a1ca65df7a67c4628d0f [0,2,0,0,0,0|2,0,0]=4 4830 B12R0.46 CC(C)[C@@H](O)C(=O)NCCCCO 4775040c0f70e60eda1c2f09be051ecb [0,2,0,0,0,0|2,0,0]=4 4831 B12R0.46 CC(C)[C@@H](O)C(=O)NCCCCS 8c8f89fa46ee2fac830fe8e91ebe2cd2 [0,2,0,0,0,0|2,0,0]=4 4832 B12R0.46 CC(C)[C@H](O)C(=O)NCCCCCl 8649fea7aff0330ddf3bd62c6fcd01f8 [0,2,0,0,0,0|2,0,0]=4 4833 B12R0.46 CC(C)[C@H](O)C(=O)NCCCCO e45e3ec9c15dfae54cbc24829605d42f [0,2,0,0,0,0|2,0,0]=4 4834 B12R0.46 CC(C)[C@H](O)C(=O)NCCCCS 20ed633b098b145954308aed52f4196c [0,2,0,0,0,0|2,0,0]=4 4835 B12R0.46 CCCCCNC(=O)C(=O)C(C)C 1e2358617314a9fb01a8ece80e883d55 [0,2,0,0,0,0|1,0,1]=4 4836 B12R0.46 CCCCCNC(=O)C(C)N(C)C ff1bc6f2bf9dad755acd3fd24feacd1b [0,2,0,0,0,0|2,0,0]=4 4837 B12R0.46 CCCCCNC(=O)C(F)C(C)C b1966b06f8dc1094bc8d34f83b4a7d97 [0,2,0,0,0,0|1,0,0]=3 4838 B12R0.46 CCCCCNC(=O)C(O)C(C)C d1c733b3e4bdda87376f3982699a1f9a [0,2,0,0,0,0|1,0,0]=3 4839 B12R0.46 CCCCCNC(=O)N(C)C(C)C 2a034d921429b40db74f04b7012812d4 [0,2,0,0,0,0|2,0,0]=4 4840 B12R0.46 CCCCCNC(=O)[C@@H](C)N(C)C f137c1e0eeeb6b1f68c8988467ee9ae0 [0,2,0,0,0,0|2,0,0]=4 4841 B12R0.46 CCCCCNC(=O)[C@@H](O)C(C)C 9ee03281aa3fdbb877df7896ada2ff57 [0,2,0,0,0,0|1,0,0]=3 4842 B12R0.46 CCCCCNC(=O)[C@@H](O)[C@@H](C)O a9ccaa7b275837cadbedd63193a3ac82 [0,2,0,0,0,0|1,0,0]=3 4843 B12R0.46 CCCCCNC(=O)[C@H](C)N(C)C 54a6a7679c910348028585ac1f37f216 [0,2,0,0,0,0|2,0,0]=4 4844 B12R0.46 CCCCCNC(=O)[C@H](O)C(C)C c14787bd02fe3018c4c48e9e21a4466a [0,2,0,0,0,0|1,0,0]=3 4845 B12R0.46 CCOCCNC(=O)C(F)C(C)C 610a25f4559529eddc64d21c2fd6a504 [0,2,0,0,0,0|2,0,0]=4 4846 B12R0.46 CCOCCNC(=O)C(O)C(C)C de5d62e01d32bcb9a6c3fc1945bc855b [0,2,0,0,0,0|2,0,0]=4 4847 B12R0.46 CCOCCNC(=O)[C@@H](O)C(C)C 8caa0ca5c353b2b695afe6f1bb9ba887 [0,2,0,0,0,0|2,0,0]=4 4848 B12R0.46 CCOCCNC(=O)[C@@H](O)[C@@H](C)O 42c69cb500c6b2816e6689614144390e [0,2,0,0,0,0|2,0,0]=4 4849 B12R0.46 CCOCCNC(=O)[C@H](O)C(C)C a41b472dbcce674a9660adf47a521734 [0,2,0,0,0,0|2,0,0]=4 4850 B12R0.46 CCSCCNC(=O)C(F)C(C)C 38c310e9c01e3a4537cc9b560473ae41 [0,2,0,0,0,0|2,0,0]=4 4851 B12R0.46 CCSCCNC(=O)C(O)C(C)C d6db67b7387023d4287dceaad236ecd3 [0,2,0,0,0,0|2,0,0]=4 4852 B12R0.46 CCSCCNC(=O)[C@@H](O)C(C)C 5f8964db0bfb33b999a5775ed277ae37 [0,2,0,0,0,0|2,0,0]=4 4853 B12R0.46 CCSCCNC(=O)[C@@H](O)[C@@H](C)O 2b1113d34a1a08c7fe67ef61198fb48c [0,2,0,0,0,0|2,0,0]=4 4854 B12R0.46 CCSCCNC(=O)[C@H](O)C(C)C 50799d5a03a77db95dd30f1faff4bc30 [0,2,0,0,0,0|2,0,0]=4 4855 B12R0.46 COCCCNC(=O)C(F)C(C)C 6e3550e212ff799cb6314ced62011ca1 [0,2,0,0,0,0|2,0,0]=4 4856 B12R0.46 COCCCNC(=O)C(O)C(C)C 53325fbc47e05dd8889281c0f5d0ef21 [0,2,0,0,0,0|2,0,0]=4 4857 B12R0.46 COCCCNC(=O)[C@@H](O)C(C)C 4324b4ac0deb0be893a15ebd9637f253 [0,2,0,0,0,0|2,0,0]=4 4858 B12R0.46 COCCCNC(=O)[C@@H](O)[C@@H](C)O dce4933cc0ca8d07fd2ec49ed122b783 [0,2,0,0,0,0|2,0,0]=4 4859 B12R0.46 COCCCNC(=O)[C@H](O)C(C)C 7b27d3a101be2e8dc4a0208cb822707c [0,2,0,0,0,0|2,0,0]=4 4860 B12R0.46 CSCCCNC(=O)C(F)C(C)C 9949271319c97ab29f822b54a9f2e249 [0,2,0,0,0,0|2,0,0]=4 4861 B12R0.46 CSCCCNC(=O)C(O)C(C)C 68f192d7323bd5891130245678163a12 [0,2,0,0,0,0|2,0,0]=4 4862 B12R0.46 CSCCCNC(=O)[C@@H](O)C(C)C cb64893740b27cd94ddb719164c774f3 [0,2,0,0,0,0|2,0,0]=4 4863 B12R0.46 CSCCCNC(=O)[C@@H](O)[C@@H](C)O 1c93b768f6d8bb6414810c9ff4466840 [0,2,0,0,0,0|2,0,0]=4 4864 B12R0.46 CSCCCNC(=O)[C@H](O)C(C)C bef5bec8a1c0f8ff1b111d90d4f050b1 [0,2,0,0,0,0|2,0,0]=4 4865 B12R0.46 C[C@@H](O)[C@H](O)C(=O)NCCCCCl e843f3d9daa05b7b1e49d801313bd428 [0,2,0,0,0,0|2,0,0]=4 4866 B12R0.46 C[C@@H](O)[C@H](O)C(=O)NCCCCO c614481f111876910f23c95697951fa6 [0,2,0,0,0,0|2,0,0]=4 4867 B12R0.46 C[C@@H](O)[C@H](O)C(=O)NCCCCS 2c6e9c5c48454a4533f93874c476d6f1 [0,2,0,0,0,0|2,0,0]=4 4868 B12R0.113 C#CC(C)NC(=O)CCCCCC a1700bc0ba77e9007859a064986a9dfa [0,2,0,0,0,0|2,0,0]=4 4869 B12R0.113 C#CC(C)NC(=O)NCCCCC f431749d3be6e808620dbf68f63cb44d [0,2,0,0,0,0|2,0,0]=4 4870 B12R0.113 C#C[C@@H](C)NC(=O)CCCCCC 99d8356edfc7434ac1aebe5f45934bd9 [0,2,0,0,0,0|2,0,0]=4 4871 B12R0.113 C#C[C@@H](C)NC(=O)NCCCCC 0868350087dc4bac4a80892d4b584295 [0,2,0,0,0,0|2,0,0]=4 4872 B12R0.113 C#C[C@H](C)NC(=O)CCCCCC 1a5f15c025d20e17fd2ce367dc90a9a9 [0,2,0,0,0,0|2,0,0]=4 4873 B12R0.113 C#C[C@H](C)NC(=O)NCCCCC 298440d4e34a327d2d3c07fdb9e1b9e6 [0,2,0,0,0,0|2,0,0]=4 4874 B12R0.113 C=CC(C)CC(=O)NCCCCC 0927056d14cb9f102ce13f4eb5f4e0a9 [0,2,0,0,0,0|1,0,0]=3 4875 B12R0.113 C=CC(C)CC(=O)NCCCCCl d5f1c8c3e21981f3ed6de29bb94aa212 [0,2,0,0,0,0|2,0,0]=4 4876 B12R0.113 C=CC(C)CC(=O)NCCCCO b7c1203592856f645cb53eb536c3ab74 [0,2,0,0,0,0|2,0,0]=4 4877 B12R0.113 C=CC(C)CC(=O)NCCCCS ce6b6f28469ca0160d603b6a2736d0c0 [0,2,0,0,0,0|2,0,0]=4 4878 B12R0.113 C=CC(C)CC(=O)NCCCOC 711545887cfc69f7a04eed336bbe74f6 [0,2,0,0,0,0|2,0,0]=4 4879 B12R0.113 C=CC(C)CC(=O)NCCCSC 97267bc797aa5f7e8dd097557c675f34 [0,2,0,0,0,0|2,0,0]=4 4880 B12R0.113 C=CC(C)CC(=O)NCCOCC 958d32d29c5ecd587bdd5ea9491cd97d [0,2,0,0,0,0|2,0,0]=4 4881 B12R0.113 C=CC(C)CC(=O)NCCSCC 73b5f3936720c4bcaeba171a2ce8eff9 [0,2,0,0,0,0|2,0,0]=4 4882 B12R0.113 C=CC(C)NC(=O)CCCCCC ef49714febcbadeeffd189cd962fa83f [0,2,0,0,0,0|2,0,0]=4 4883 B12R0.113 C=CC(C)NC(=O)NCCCCC 5e25b0c627b1239c1d2704a0646742f1 [0,2,0,0,0,0|2,0,0]=4 4884 B12R0.113 CC(C#N)CC(=O)NCCCCCl 215667eb9cd0df76bffad7ecb5eadf22 [0,2,0,0,0,0|2,0,0]=4 4885 B12R0.113 CC(C#N)CC(=O)NCCCCO 0560620e6e4f85f30d531b47cce1d68e [0,2,0,0,0,0|2,0,0]=4 4886 B12R0.113 CC(C#N)CC(=O)NCCCCS 518511489d39d4210a7587d3dc773e0c [0,2,0,0,0,0|2,0,0]=4 4887 B12R0.113 CCC(C)CC(=O)NCCCCCl 0fbdc4f50908d2fdca25043c1c30e188 [0,2,0,0,0,0|2,0,0]=4 4888 B12R0.113 CCC(C)CC(=O)NCCCCO 91b99315d87ee965b0347ac7da325a99 [0,2,0,0,0,0|2,0,0]=4 4889 B12R0.113 CCC(C)CC(=O)NCCCCS 3e4c3ce3110d7d32c7816c59021badd8 [0,2,0,0,0,0|2,0,0]=4 4890 B12R0.113 CCC(C)CC(=O)NCCCOC a266c0dbefe7ab842046751f58a279d2 [0,2,0,0,0,0|2,0,0]=4 4891 B12R0.113 CCC(C)CC(=O)NCCCSC c91b63461580912966d0f2408e9572c8 [0,2,0,0,0,0|2,0,0]=4 4892 B12R0.113 CCC(C)NC(=O)CCCCCF 521f13cca278fd03e17faf7fbb013cca [0,2,0,0,0,0|2,0,0]=4 4893 B12R0.113 CCC(C)NC(=O)CCCCCO ec0172474b66962edb01717a0575b7d7 [0,2,0,0,0,0|2,0,0]=4 4894 B12R0.113 CCC(C)NC(=O)CCCCCS 7ef268234ddd9bcc84ba558bf5b2420a [0,2,0,0,0,0|2,0,0]=4 4895 B12R0.113 CCC(C)NC(=O)NCCCCN 5699288c08ce89a308dfcf5c4bd0dcf9 [0,2,0,0,0,0|2,0,0]=4 4896 B12R0.113 CCC(C)NC(=O)NCCCCO 4b15061b920b9a7203c86a982ea07e46 [0,2,0,0,0,0|2,0,0]=4 4897 B12R0.113 CCC(C)NC(=O)NCCCCS f07dae5a7a5a3ee0a5531303d7575175 [0,2,0,0,0,0|2,0,0]=4 4898 B12R0.113 CCC(C)NC(=O)NCCCOC db37457cea45569bca936260fb762e78 [0,2,0,0,0,0|2,0,0]=4 4899 B12R0.113 CCC(C)NC(=O)NCCCSC 822b961eb7e9324967b5fb1c2412fbe1 [0,2,0,0,0,0|2,0,0]=4 4900 B12R0.113 CCC(O)CC(=O)NCCCCCl 99d38c23a3c6fdd6186f269704bd23bb [0,2,0,0,0,0|2,0,0]=4 4901 B12R0.113 CCC(O)CC(=O)NCCCCO 1038db4abb59b60073da4fa4bbbec5bc [0,2,0,0,0,0|2,0,0]=4 4902 B12R0.113 CCC(O)CC(=O)NCCCCS 088d6e76ef9e055bf86de10ab657d3bb [0,2,0,0,0,0|2,0,0]=4 4903 B12R0.113 CCC(O)CC(=O)NCCCOC 7041ed07075afbf86ab1c8f20e73d39f [0,2,0,0,0,0|2,0,0]=4 4904 B12R0.113 CCC(O)CC(=O)NCCCSC 1e08f7621fd2f8b28d0c95e0a67b4a2f [0,2,0,0,0,0|2,0,0]=4 4905 B12R0.113 CCCC/C=C/C(=O)NC(C)CC 6eed70e2e216d374cf352de9364799dd [0,2,0,0,0,0|1,0,1]=4 4906 B12R0.113 CCCC/C=C/C(=O)N[C@@H](C)CC e09b9f13985082dd7103ad81addc809e [0,2,0,0,0,0|1,0,1]=4 4907 B12R0.113 CCCC/C=C/C(=O)N[C@H](C)CC e37c8d79c9eb304d8a46f360e38822b7 [0,2,0,0,0,0|1,0,1]=4 4908 B12R0.113 CCCCC#CC(=O)NC(C)CC 1243c8904053fab980d192cfa7897ad7 [0,2,0,0,0,0|1,0,1]=4 4909 B12R0.113 CCCCC#CC(=O)N[C@@H](C)CC e83db8ffbcff0416c00c2291370e9a50 [0,2,0,0,0,0|1,0,1]=4 4910 B12R0.113 CCCCC#CC(=O)N[C@H](C)CC 36c777035a7cfb9d66cb38d57003dc30 [0,2,0,0,0,0|1,0,1]=4 4911 B12R0.113 CCCCC=CC(=O)NC(C)CC f37e9fbfeefdef8079bef3ebdc7694ff [0,2,0,0,0,0|1,0,1]=4 4912 B12R0.113 CCCCC=CC(=O)N[C@@H](C)CC 41e8fa45582f77f32024d88deb2d4aa0 [0,2,0,0,0,0|1,0,1]=4 4913 B12R0.113 CCCCC=CC(=O)N[C@H](C)CC ae64527a3e2ce1edf6d6a8d0f5bfbda2 [0,2,0,0,0,0|1,0,1]=4 4914 B12R0.113 CCCCCCC(=O)NC(C)C#N 4ad232b18d04426aa6f7def878456a3f [0,2,0,0,0,0|2,0,0]=4 4915 B12R0.113 CCCCCCC(=O)NC(C)CC 4d6755fc6b0c3b305083fdeac803dd8d [0,2,0,0,0,0|1,0,0]=3 4916 B12R0.113 CCCCCCC(=O)NC(C)CO b7a9d2df5ced26fc3fba5d216d98f92e [0,2,0,0,0,0|2,0,0]=4 4917 B12R0.113 CCCCCCC(=O)N[C@@H](C)CC a9b9ebd896df25a0338bc1f71d3bf636 [0,2,0,0,0,0|1,0,0]=3 4918 B12R0.113 CCCCCCC(=O)N[C@@H](C)CO 7f4a8b3f9546873d74f637047e80e1ef [0,2,0,0,0,0|2,0,0]=4 4919 B12R0.113 CCCCCCC(=O)N[C@H](C)CC a00351c3396cd0832e6d4eb23686ea7c [0,2,0,0,0,0|1,0,0]=3 4920 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 1ac69948e41f89fe29e9c3faae70bb45 [0,2,0,0,0,0|2,0,0]=4 4921 B12R0.113 CCCCCNC(=O)/C=C(/C)\CC ad5c1d98ed271871cfe377ce6e3d07f2 [0,2,0,0,0,0|1,0,1]=4 4922 B12R0.113 CCCCCNC(=O)/C=C(\C)/CC 3d2805c9dd3f87627f84150cdc57b8a7 [0,2,0,0,0,0|1,0,1]=4 4923 B12R0.113 CCCCCNC(=O)CC(=O)NC ffb14acf02f34a2bf3c7f81e1961ebc3 [0,2,0,0,0,0|1,0,1]=4 4924 B12R0.113 CCCCCNC(=O)CC(=O)OC 01fd35c90ba691485a0d33a929fdadf3 [0,2,0,0,0,0|1,0,1]=4 4925 B12R0.113 CCCCCNC(=O)CC(C)C#N 18220786dc3550013a7755408dc0c8c8 [0,2,0,0,0,0|1,0,0]=3 4926 B12R0.113 CCCCCNC(=O)CC(C)CC f7055e01481448307fbb56c6ba0a086b [0,2,0,0,0,0|1,0,0]=3 4927 B12R0.113 CCCCCNC(=O)CC(C)OC 3ed000ebf905477fcc975d6daf1444bc [0,2,0,0,0,0|1,0,0]=3 4928 B12R0.113 CCCCCNC(=O)CC(O)CC bec883dd847725cd1242dfce46146527 [0,2,0,0,0,0|1,0,0]=3 4929 B12R0.113 CCCCCNC(=O)CN(C)CC 6afcb8eddd66439fca076973b27aee89 [0,2,0,0,0,0|1,0,0]=3 4930 B12R0.113 CCCCCNC(=O)C[C@@H](C)CC 6828e80832fb96a9cada9a521fe40da4 [0,2,0,0,0,0|1,0,0]=3 4931 B12R0.113 CCCCCNC(=O)C[C@@H](O)CC af78e84a1cad93172d8bf487f9ae9beb [0,2,0,0,0,0|1,0,0]=3 4932 B12R0.113 CCCCCNC(=O)C[C@H](C)CC 7e5866c799cf610387e8027c8b2d0ed1 [0,2,0,0,0,0|1,0,0]=3 4933 B12R0.113 CCCCCNC(=O)C[C@H](O)CC b1954248f57a23c226e64fa5f3efef57 [0,2,0,0,0,0|1,0,0]=3 4934 B12R0.113 CCCCCNC(=O)NC(C)C#N f1b2f6e4b7d3d054ebbf7215f6531652 [0,2,0,0,0,0|2,0,0]=4 4935 B12R0.113 CCCCCNC(=O)NC(C)CC 9a2670f2252297b4fbe22c8cb4f63fc2 [0,2,0,0,0,0|1,0,0]=3 4936 B12R0.113 CCCCCNC(=O)NC(C)CO cdfe9394cdb2755847ebdd82b41da92f [0,2,0,0,0,0|2,0,0]=4 4937 B12R0.113 CCCCCNC(=O)N[C@@H](C)CC c2a1c2d444fe4de21f465c1ae9f21924 [0,2,0,0,0,0|1,0,0]=3 4938 B12R0.113 CCCCCNC(=O)N[C@@H](C)CO 2fe73fbda942135f237fba8d9caf80c4 [0,2,0,0,0,0|2,0,0]=4 4939 B12R0.113 CCCCCNC(=O)N[C@H](C)CC 085f59681eaaba3c1a1c4ee2a1d91eb5 [0,2,0,0,0,0|1,0,0]=3 4940 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 3bb77a8daeaab1cf3f4193552a0e3590 [0,2,0,0,0,0|2,0,0]=4 4941 B12R0.113 CCCCCNC(=S)NC(C)CC 5864c642361057eea61c8be6cad8d55d [0,2,0,0,0,0|1,1,0]=4 4942 B12R0.113 CCCCCNC(=S)N[C@@H](C)CC ad97072310b9a5bce7d70fda1889c997 [0,2,0,0,0,0|1,1,0]=4 4943 B12R0.113 CCCCCNC(=S)N[C@H](C)CC 28ecdc8bac3292b78a0b71b8df7dd95e [0,2,0,0,0,0|1,1,0]=4 4944 B12R0.113 CCCCCO/C(=C/C(=O)CC)/C 6ce2730c68b82666aab4bf2e5ec1e6b8 [0,2,0,0,0,0|1,0,1]=4 4945 B12R0.113 CCCCCOC(C)CC(C)OC a59d12838adb53b3345c2c5ea1353e78 [0,2,0,0,0,0|1,0,1]=4 4946 B12R0.113 CCCCNCC(=O)NC(C)CC 3a68e4f9e338f45e8f53909c06008fc2 [0,2,0,0,0,0|2,0,0]=4 4947 B12R0.113 CCCCOCC(=O)NC(C)CC ec98bf1b2cef750ffd7ba414d0b750f7 [0,2,0,0,0,0|2,0,0]=4 4948 B12R0.113 CCCCOCC(=O)N[C@@H](C)CC d26b815724c0640a0671a343348d1f81 [0,2,0,0,0,0|2,0,0]=4 4949 B12R0.113 CCCCOCC(=O)N[C@H](C)CC 40394689f42a0468422ee8894ca43f4f [0,2,0,0,0,0|2,0,0]=4 4950 B12R0.113 CCCCSCC(=O)NC(C)CC 4b8dbf25a5faa4ca04e39122af6c6a87 [0,2,0,0,0,0|2,0,0]=4 4951 B12R0.113 CCCCSCC(=O)N[C@@H](C)CC f7e145d7711796cd9c1955c55c57a03f [0,2,0,0,0,0|2,0,0]=4 4952 B12R0.113 CCCCSCC(=O)N[C@H](C)CC b315804dcb66f0ae2ab24f7d7d7b5e74 [0,2,0,0,0,0|2,0,0]=4 4953 B12R0.113 CCCOCCC(=O)NC(C)CC 790f51c0e02b461e8439f9e8d4f15e4c [0,2,0,0,0,0|2,0,0]=4 4954 B12R0.113 CCCOCCC(=O)N[C@@H](C)CC da9b698c9b7217585448c741882040e9 [0,2,0,0,0,0|2,0,0]=4 4955 B12R0.113 CCCOCCC(=O)N[C@H](C)CC 4c22e7333cd5880f47ee5fae10f8ad90 [0,2,0,0,0,0|2,0,0]=4 4956 B12R0.113 CCN(C)CC(=O)NCCCCCl 8c46a977bebbd504c6625e1b6e28ab31 [0,2,0,0,0,0|2,0,0]=4 4957 B12R0.113 CCN(C)CC(=O)NCCCCO 489b6a188a812a06cb1fa4ac92b53e08 [0,2,0,0,0,0|2,0,0]=4 4958 B12R0.113 CCN(C)CC(=O)NCCCCS 8957e261ca32cfb89c32240980785911 [0,2,0,0,0,0|2,0,0]=4 4959 B12R0.113 CCN(C)CC(=O)NCCCOC 80793cf2ae1531275e8787dbc3279f7e [0,2,0,0,0,0|2,0,0]=4 4960 B12R0.113 CCN(C)CC(=O)NCCCSC afe78b4bad562d05b55b6267d0c77f40 [0,2,0,0,0,0|2,0,0]=4 4961 B12R0.113 CCOCCNC(=O)CC(C)C#N 0bbd34130b7e34d41735e19681c1ed9c [0,2,0,0,0,0|2,0,0]=4 4962 B12R0.113 CCOCCNC(=O)CC(C)CC 9d1251c204741441e0c3a765ca28a484 [0,2,0,0,0,0|2,0,0]=4 4963 B12R0.113 CCOCCNC(=O)CC(C)OC 5207af41eaa134bd00c3090e42dc4fac [0,2,0,0,0,0|2,0,0]=4 4964 B12R0.113 CCOCCNC(=O)CC(O)CC 77805c92c48843fa668da5c19057903e [0,2,0,0,0,0|2,0,0]=4 4965 B12R0.113 CCOCCNC(=O)CN(C)CC 887231d6bb455e8cdb9d3db054571f29 [0,2,0,0,0,0|2,0,0]=4 4966 B12R0.113 CCOCCNC(=O)C[C@@H](C)CC b716723c8d7a9c58b353ed4205931e7e [0,2,0,0,0,0|2,0,0]=4 4967 B12R0.113 CCOCCNC(=O)C[C@@H](O)CC b74835b805b9767097a29cf097c58301 [0,2,0,0,0,0|2,0,0]=4 4968 B12R0.113 CCOCCNC(=O)C[C@H](C)CC 73c5a1d1b0deaaf7c4fcbe702963f915 [0,2,0,0,0,0|2,0,0]=4 4969 B12R0.113 CCOCCNC(=O)C[C@H](O)CC c06f877f0d4e82c6e4a3c879474cdc43 [0,2,0,0,0,0|2,0,0]=4 4970 B12R0.113 CCOCCNC(=O)NC(C)CC 3f2d5e3f970bc402f5de6d374ac446f1 [0,2,0,0,0,0|2,0,0]=4 4971 B12R0.113 CCOCCNC(=O)N[C@@H](C)CC bd58051df4b6ca0585259c3005254f28 [0,2,0,0,0,0|2,0,0]=4 4972 B12R0.113 CCOCCNC(=O)N[C@H](C)CC 0d50e84f4eb7c8818aa3bfc8b42965b4 [0,2,0,0,0,0|2,0,0]=4 4973 B12R0.113 CCOCCOC(=O)CN(C)CC 07d857c12bb1b18b4dabfcc02cfcf1d4 [0,2,0,0,0,0|1,0,0]=3 4974 B12R0.113 CCSCCNC(=O)CC(C)C#N 49fd7adee5e19aec593dd7caf439bf8b [0,2,0,0,0,0|2,0,0]=4 4975 B12R0.113 CCSCCNC(=O)CC(C)CC 34c9e25d6de3bfab3354eb23e4577594 [0,2,0,0,0,0|2,0,0]=4 4976 B12R0.113 CCSCCNC(=O)CC(C)OC 316d9464426a6a091c11d1b34a311675 [0,2,0,0,0,0|2,0,0]=4 4977 B12R0.113 CCSCCNC(=O)CC(O)CC 701deb0a31bdc68b225c52192e2a6471 [0,2,0,0,0,0|2,0,0]=4 4978 B12R0.113 CCSCCNC(=O)CN(C)CC e588b12fbffe988e41d0759526d18892 [0,2,0,0,0,0|2,0,0]=4 4979 B12R0.113 CCSCCNC(=O)C[C@@H](C)CC ba9ef97d20b6a7d2788235abcd72e3e6 [0,2,0,0,0,0|2,0,0]=4 4980 B12R0.113 CCSCCNC(=O)C[C@@H](O)CC eb47750484af85b2819379ae48ac5499 [0,2,0,0,0,0|2,0,0]=4 4981 B12R0.113 CCSCCNC(=O)C[C@H](C)CC 8bb081bf0269ca39191e27698ff55b2a [0,2,0,0,0,0|2,0,0]=4 4982 B12R0.113 CCSCCNC(=O)C[C@H](O)CC 558f46725a751d78384837015f5d6c21 [0,2,0,0,0,0|2,0,0]=4 4983 B12R0.113 CCSCCNC(=O)NC(C)CC 8807e57ab8b4d91817d64323a099de65 [0,2,0,0,0,0|2,0,0]=4 4984 B12R0.113 CCSCCNC(=O)N[C@@H](C)CC 622a247f3c31c68cb68c2bce1f16da39 [0,2,0,0,0,0|2,0,0]=4 4985 B12R0.113 CCSCCNC(=O)N[C@H](C)CC 6026241e4128775c4c7ee43d6149ae94 [0,2,0,0,0,0|2,0,0]=4 4986 B12R0.113 CC[C@@H](C)CC(=O)NCCCCCl 5616af5b8213fb0c398e193d3ec480ab [0,2,0,0,0,0|2,0,0]=4 4987 B12R0.113 CC[C@@H](C)CC(=O)NCCCCO 7236fc45cd61074d37c35572715f695c [0,2,0,0,0,0|2,0,0]=4 4988 B12R0.113 CC[C@@H](C)CC(=O)NCCCCS 1be17ef087e49089155da204068bbcf9 [0,2,0,0,0,0|2,0,0]=4 4989 B12R0.113 CC[C@@H](C)CC(=O)NCCCOC 3c7cd3c8f7e798b1783ef2df62a68054 [0,2,0,0,0,0|2,0,0]=4 4990 B12R0.113 CC[C@@H](C)CC(=O)NCCCSC bb08537d479156a724cb7d9c04cee3be [0,2,0,0,0,0|2,0,0]=4 4991 B12R0.113 CC[C@@H](C)NC(=O)CCCCCF e3a9acd7b7753e2d2e3669f659d786d1 [0,2,0,0,0,0|2,0,0]=4 4992 B12R0.113 CC[C@@H](C)NC(=O)CCCCCO 41d7783bae943fcad5089a18ba36706e [0,2,0,0,0,0|2,0,0]=4 4993 B12R0.113 CC[C@@H](C)NC(=O)CCCCCS 483e6656dbfe0310c99630dc07b5acbb [0,2,0,0,0,0|2,0,0]=4 4994 B12R0.113 CC[C@@H](C)NC(=O)NCCCCN d2818c596e6526775c485f8df5c98a7a [0,2,0,0,0,0|2,0,0]=4 4995 B12R0.113 CC[C@@H](C)NC(=O)NCCCCO f6eb97b74c91d8c47fd7750b04cca4f1 [0,2,0,0,0,0|2,0,0]=4 4996 B12R0.113 CC[C@@H](C)NC(=O)NCCCCS 3c10a16133d79197680516a1bdce80b5 [0,2,0,0,0,0|2,0,0]=4 4997 B12R0.113 CC[C@@H](C)NC(=O)NCCCOC 91bb4db3cb1174348bfa54cb5a65a7ef [0,2,0,0,0,0|2,0,0]=4 4998 B12R0.113 CC[C@@H](C)NC(=O)NCCCSC 063a3e0d1d873f251790fb2d6d3e8412 [0,2,0,0,0,0|2,0,0]=4 4999 B12R0.113 CC[C@@H](O)CC(=O)NCCCCCl af70d89e8b185304af203114e2d1ce46 [0,2,0,0,0,0|2,0,0]=4 5000 B12R0.113 CC[C@@H](O)CC(=O)NCCCCO 30bc17ba034a0d79174d1e4ed1211788 [0,2,0,0,0,0|2,0,0]=4 5001 B12R0.113 CC[C@@H](O)CC(=O)NCCCCS 58bf92365051f97699c2f65031ae3a83 [0,2,0,0,0,0|2,0,0]=4 5002 B12R0.113 CC[C@@H](O)CC(=O)NCCCOC 4222a6a6c17973f050f27b038aeeb5cd [0,2,0,0,0,0|2,0,0]=4 5003 B12R0.113 CC[C@@H](O)CC(=O)NCCCSC f071a5931472033cd9c0d890c5b6531e [0,2,0,0,0,0|2,0,0]=4 5004 B12R0.113 CC[C@H](C)CC(=O)NCCCCCl 35a7ef5aaaa079ae3d8e02a7dbbfd371 [0,2,0,0,0,0|2,0,0]=4 5005 B12R0.113 CC[C@H](C)CC(=O)NCCCCO 52f9d16b406bcadcd152ec3606d06d28 [0,2,0,0,0,0|2,0,0]=4 5006 B12R0.113 CC[C@H](C)CC(=O)NCCCCS 3095765d43cf43d65b5637724ec5294d [0,2,0,0,0,0|2,0,0]=4 5007 B12R0.113 CC[C@H](C)CC(=O)NCCCOC 6b7e9c7218dc3a8d692d80b48566c53d [0,2,0,0,0,0|2,0,0]=4 5008 B12R0.113 CC[C@H](C)CC(=O)NCCCSC 452a7fbede0c4a929fdfbbb45da1ed84 [0,2,0,0,0,0|2,0,0]=4 5009 B12R0.113 CC[C@H](C)NC(=O)CCCCCF 45d40dd8ebeb2a07d048172728c4f787 [0,2,0,0,0,0|2,0,0]=4 5010 B12R0.113 CC[C@H](C)NC(=O)CCCCCO 053f11202e86c26b98166d7486a7b039 [0,2,0,0,0,0|2,0,0]=4 5011 B12R0.113 CC[C@H](C)NC(=O)CCCCCS 2fd635bbc847355612e34aa179e54419 [0,2,0,0,0,0|2,0,0]=4 5012 B12R0.113 CC[C@H](C)NC(=O)NCCCCN cc692e9db19120d820dcbf932af65951 [0,2,0,0,0,0|2,0,0]=4 5013 B12R0.113 CC[C@H](C)NC(=O)NCCCCO 877ef35a0deeff4ceacc5b1682887938 [0,2,0,0,0,0|2,0,0]=4 5014 B12R0.113 CC[C@H](C)NC(=O)NCCCCS 2e402a5d1b49a8c38ab9365b404ac04d [0,2,0,0,0,0|2,0,0]=4 5015 B12R0.113 CC[C@H](C)NC(=O)NCCCOC eb9359cb498cfa37fb7323e699813073 [0,2,0,0,0,0|2,0,0]=4 5016 B12R0.113 CC[C@H](C)NC(=O)NCCCSC bcef4c6215aa060c9f4bfcbfbf884ec6 [0,2,0,0,0,0|2,0,0]=4 5017 B12R0.113 CC[C@H](O)CC(=O)NCCCCCl 17d8fe0687ff8091904e0828104929f0 [0,2,0,0,0,0|2,0,0]=4 5018 B12R0.113 CC[C@H](O)CC(=O)NCCCCO 239f584debb74c69f32727d364492ea0 [0,2,0,0,0,0|2,0,0]=4 5019 B12R0.113 CC[C@H](O)CC(=O)NCCCCS 1fed79db27e03ca51198cf3d6d84b075 [0,2,0,0,0,0|2,0,0]=4 5020 B12R0.113 CC[C@H](O)CC(=O)NCCCOC c2b7920bf6a813d5a2fe21e0dce30170 [0,2,0,0,0,0|2,0,0]=4 5021 B12R0.113 CC[C@H](O)CC(=O)NCCCSC a44a51e98486c5bd32468089cc31a3e7 [0,2,0,0,0,0|2,0,0]=4 5022 B12R0.113 COC(C)CC(=O)NCCCCCl 842d1d5510c93203f932aed4b5521a03 [0,2,0,0,0,0|2,0,0]=4 5023 B12R0.113 COC(C)CC(=O)NCCCCO 5e3fa2a85812e7af297e022b42f8dbbd [0,2,0,0,0,0|2,0,0]=4 5024 B12R0.113 COC(C)CC(=O)NCCCCS d87955243e2ba4f160986113aba01450 [0,2,0,0,0,0|2,0,0]=4 5025 B12R0.113 COC(C)CC(=O)NCCCSC d6a28a609c522ecb4db103ff484462d1 [0,2,0,0,0,0|2,0,0]=4 5026 B12R0.113 COCCCNC(=O)CC(C)C#N af23cc207f5e05766d5c55747c68efad [0,2,0,0,0,0|2,0,0]=4 5027 B12R0.113 COCCCNC(=O)CC(C)OC 501ce8c140422dc1993c171e2c837ba3 [0,2,0,0,0,0|2,0,0]=4 5028 B12R0.113 CSCCCNC(=O)CC(C)C#N 74180f6ad4ef4f4202b0cf87977d936c [0,2,0,0,0,0|2,0,0]=4 5029 B12R0.125 CC(C)(Br)CC(=O)NCCCCCl fa300314b1c88cd1b784910b89304d8d [0,2,0,0,0,0|2,0,0]=4 5030 B12R0.125 CC(C)(Br)CC(=O)NCCCCO c85b7e7540aac3fa2a69cf6eb11b8d72 [0,2,0,0,0,0|2,0,0]=4 5031 B12R0.125 CC(C)(Br)CC(=O)NCCCCS ce411e4e1941a46604318c560733dd72 [0,2,0,0,0,0|2,0,0]=4 5032 B12R0.125 CC(C)(C)CC(=O)NCCCCCl ea75aff06f20bce2b4c4b6055d4dfd3e [0,2,0,0,0,0|2,0,0]=4 5033 B12R0.125 CC(C)(C)CC(=O)NCCCCO 7272bafb32f649b3b22b277a5a40a36c [0,2,0,0,0,0|2,0,0]=4 5034 B12R0.125 CC(C)(C)CC(=O)NCCCCS 032260e1ad8ce616d854dccc44eef03e [0,2,0,0,0,0|2,0,0]=4 5035 B12R0.125 CC(C)(C)CC(=O)OCNCCI 921d0f8cae90f7ecc3e3668dad0abbef [0,2,0,0,0,0|2,0,0]=4 5036 B12R0.125 CC(C)(C)CC(=O)OCNCCO 61c981f46ca907669464a076dce83b55 [0,2,0,0,0,0|2,0,0]=4 5037 B12R0.125 CC(C)(C)CC(=O)OCNCCS 905997de5a09e22a8ee8335a7e47a9d8 [0,2,0,0,0,0|2,0,0]=4 5038 B12R0.125 CC(C)(C)CC(=O)OCOCCS 1e53bf04ec8752dde62502b8a2f8bafd [0,2,0,0,0,0|2,0,0]=4 5039 B12R0.125 CC(C)(Cl)CC(=O)NCCCCCl ab55ed7c3aca8fb375031e248913f1a1 [0,2,0,0,0,0|2,0,0]=4 5040 B12R0.125 CC(C)(Cl)CC(=O)NCCCCO 5fe5f1da666594bb47fbd66543ec84cf [0,2,0,0,0,0|2,0,0]=4 5041 B12R0.125 CC(C)(Cl)CC(=O)NCCCCS 35fadaa93876ec089e263981a1fd685b [0,2,0,0,0,0|2,0,0]=4 5042 B12R0.125 CC(C)(O)CC(=O)NCCCCCl 43cbada4b4dacb7ec4078e21da774cb8 [0,2,0,0,0,0|2,0,0]=4 5043 B12R0.125 CC(C)(O)CC(=O)NCCCCO d54b04805aaa519196a6051f10b9b103 [0,2,0,0,0,0|2,0,0]=4 5044 B12R0.125 CC(C)(O)CC(=O)NCCCCS b798e4e3217e8377c094e9e7e4ae1b39 [0,2,0,0,0,0|2,0,0]=4 5045 B12R0.125 CC(F)(F)CC(=O)NCCCCCl 1ab3ff4408f0b34cb4f1c9d9d65e74be [0,2,0,0,0,0|2,0,0]=4 5046 B12R0.125 CC(F)(F)CC(=O)NCCCCO 5d9de6b184e98837f2f3cf0182d090ed [0,2,0,0,0,0|2,0,0]=4 5047 B12R0.125 CC(F)(F)CC(=O)NCCCCS 8e2daf07eca6768ea68ed9244c2de2cf [0,2,0,0,0,0|2,0,0]=4 5048 B12R0.125 CCCCCCC(=O)NC(C)(C)C 10a2748ba4522aa3c9b900e3a779930d [0,2,0,0,0,0|2,0,0]=4 5049 B12R0.125 CCCCCNC(=O)CC(C)(C)Br 46da30998ff7c40ea1e1304a5a8df8d9 [0,2,0,0,0,0|1,0,0]=3 5050 B12R0.125 CCCCCNC(=O)CC(C)(C)C f5fe13895cb3862f141cb92d9173bbcd [0,2,0,0,0,0|1,0,0]=3 5051 B12R0.125 CCCCCNC(=O)CC(C)(C)Cl 0c0d0c32fae45eaa833d150ccfb50391 [0,2,0,0,0,0|1,0,0]=3 5052 B12R0.125 CCCCCNC(=O)CC(C)(C)O cf158bde3cd40b2f1b4257077a3db8a1 [0,2,0,0,0,0|1,0,0]=3 5053 B12R0.125 CCCCCNC(=O)CC(C)(F)F c848aebf594eeeadaed6a23363ee2bcb [0,2,0,0,0,0|1,0,0]=3 5054 B12R0.125 CCCCCNC(=O)CC(F)(F)F 839883e4bb9d2b87162115f9c97e005a [0,2,0,0,0,0|2,0,0]=4 5055 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C aed9747136a308e04f8ef724d4adf370 [0,2,0,0,0,0|2,0,0]=4 5056 B12R0.125 CCCCCNC(=O)NC(C)(C)C abb8e2c6a3fa44413b988f343870e139 [0,2,0,0,0,0|2,0,0]=4 5057 B12R0.125 CCCCCOC(C)CC(C)(C)C e19d6af09643098a151ced295e13fe47 [0,2,0,0,0,0|1,0,1]=4 5058 B12R0.125 CCCCCOC(C)CC(C)(C)S e9782e7ebb3503ab588f54570721a59f [0,2,0,0,0,0|1,0,1]=4 5059 B12R0.125 CCCNCOC(=O)CC(C)(C)C 41ae1e5657bd438c98bfa2f69fe8dece [0,2,0,0,0,0|1,0,0]=3 5060 B12R0.125 CCCNCOC(=O)OC(C)(C)C 6a644ca648348dd432fb5803c25382cf [0,2,0,0,0,0|2,0,0]=4 5061 B12R0.125 CCCOCOC(=O)CC(C)(C)C 2825143a0aaada2eb4dcf73b5f8da798 [0,2,0,0,0,0|1,0,0]=3 5062 B12R0.125 CCCOCOC(=O)OC(C)(C)C b73be73c64c2c23655817bc4c1567918 [0,2,0,0,0,0|2,0,0]=4 5063 B12R0.125 CCOCCNC(=O)CC(C)(C)Br 97a970d9332a698e06d8068d5e2c077f [0,2,0,0,0,0|2,0,0]=4 5064 B12R0.125 CCOCCNC(=O)CC(C)(C)C a8a7507c5a63457c9e1aab7e5cc4b353 [0,2,0,0,0,0|2,0,0]=4 5065 B12R0.125 CCOCCNC(=O)CC(C)(C)Cl 0a840d94fa3aeba312625f3fce4d3392 [0,2,0,0,0,0|2,0,0]=4 5066 B12R0.125 CCOCCNC(=O)CC(C)(C)O 8ab1e15929c380de356f1e9c96ce90c8 [0,2,0,0,0,0|2,0,0]=4 5067 B12R0.125 CCOCCNC(=O)CC(C)(F)F e96266b2a02a423c073030d3cc07f0f3 [0,2,0,0,0,0|2,0,0]=4 5068 B12R0.125 CCSCCNC(=O)CC(C)(C)Br f0ea72dcf5bf12e8316608a37d823a71 [0,2,0,0,0,0|2,0,0]=4 5069 B12R0.125 CCSCCNC(=O)CC(C)(C)C 9632e3ffc08da43a879e1ff1c4c13567 [0,2,0,0,0,0|2,0,0]=4 5070 B12R0.125 CCSCCNC(=O)CC(C)(C)Cl d6ed42b4cf12cb8118b1e3c4a866f906 [0,2,0,0,0,0|2,0,0]=4 5071 B12R0.125 CCSCCNC(=O)CC(C)(C)O 7ec533d4d16c4b4a5410ef2f46b766c1 [0,2,0,0,0,0|2,0,0]=4 5072 B12R0.125 CCSCCNC(=O)CC(C)(F)F 3df85a36d29eaca3859e46d6e2859d7f [0,2,0,0,0,0|2,0,0]=4 5073 B12R0.125 COCCCNC(=O)CC(C)(C)Br 80a7e72b0158c317aa5750036972a845 [0,2,0,0,0,0|2,0,0]=4 5074 B12R0.125 COCCCNC(=O)CC(C)(C)C cd0fec5779f3b25a23aa2cccb22c063a [0,2,0,0,0,0|2,0,0]=4 5075 B12R0.125 COCCCNC(=O)CC(C)(C)Cl 14ab5afef6ef2fcbcbad95a8fc34d2ee [0,2,0,0,0,0|2,0,0]=4 5076 B12R0.125 COCCCNC(=O)CC(C)(C)O ed576dbb058933b856de7d62a0424b82 [0,2,0,0,0,0|2,0,0]=4 5077 B12R0.125 COCCCNC(=O)CC(C)(F)F a4d53e1e500285662abd11074d367b0d [0,2,0,0,0,0|2,0,0]=4 5078 B12R0.125 COCOCOC(=O)CC(C)(C)C 32162284798244418e4a6ec6c6ae5feb [0,2,0,0,0,0|2,0,0]=4 5079 B12R0.125 CSCCCNC(=O)CC(C)(C)Br f77659551a8fd963b8b89849ca77efbd [0,2,0,0,0,0|2,0,0]=4 5080 B12R0.125 CSCCCNC(=O)CC(C)(C)C 11ae6c7807ef68cbcfcadebaec13947b [0,2,0,0,0,0|2,0,0]=4 5081 B12R0.125 CSCCCNC(=O)CC(C)(C)Cl d2bc344c601a6e893cfefb3d44819975 [0,2,0,0,0,0|2,0,0]=4 5082 B12R0.125 CSCCCNC(=O)CC(C)(C)O 9ebcb078681575590d0574e5190aec21 [0,2,0,0,0,0|2,0,0]=4 5083 B12R0.125 CSCCCNC(=O)CC(C)(F)F 048fff30bba945f5d25386cf33c9179b [0,2,0,0,0,0|2,0,0]=4 5084 B12R0.141 C=C(C)CC(=O)N(C)CCCCC 7267a2350d3ce02e373a2e087fad313b [0,2,0,0,0,0|1,0,1]=4 5085 B12R0.141 CC(C)CC(=O)N(C)CCCCO 2521f9902b69d47dc3e0d3963ecc9b5a [0,2,0,0,0,0|2,0,0]=4 5086 B12R0.141 CC(O)CC(=O)N(C)CCCCO 680121326f1ad2ad3e28316a744a0cbe [0,2,0,0,0,0|2,0,0]=4 5087 B12R0.141 CCCCCN(C)C(=O)CC(=O)C 062909f9a6ecf8c4db51d98cbc4444dd [0,2,0,0,0,0|1,0,1]=4 5088 B12R0.141 CCCCCN(C)C(=O)CC(C)C 5fd1fe61f77f5e73157741216658be52 [0,2,0,0,0,0|1,0,0]=3 5089 B12R0.141 CCCCCN(C)C(=O)CC(C)O cdcae65304a800298dc435c82ac8b7b8 [0,2,0,0,0,0|1,0,0]=3 5090 B12R0.141 CCCCCN(C)C(=O)CC(F)F 9c1f271936313c0c24af031582448823 [0,2,0,0,0,0|2,0,0]=4 5091 B12R0.141 CCCCCN(C)C(=O)CN(C)C 211a548fe8516c5a5b9673e2a6ba528c [0,2,0,0,0,0|2,0,0]=4 5092 B12R0.141 CCCCCN(C)C(=O)C[C@@H](C)O 81b87ae711dd051597a4449df642862f [0,2,0,0,0,0|1,0,0]=3 5093 B12R0.141 CCCCCN(C)C(=O)C[C@H](C)O 89d976baddc91f4bba8256cdcf72eb74 [0,2,0,0,0,0|1,0,0]=3 5094 B12R0.141 CCCCNC(=O)C(=O)CC(C)C 6f51d8bfc45447fb1b182832bed7f314 [0,2,0,0,0,0|2,0,0]=4 5095 B12R0.141 CCOCCN(C)C(=O)CC(C)C a683387bc1878e7619eab7d492b4e16c [0,2,0,0,0,0|2,0,0]=4 5096 B12R0.141 CCOCCN(C)C(=O)CC(C)O 284f756c76402d9ccf62d5150e852c61 [0,2,0,0,0,0|2,0,0]=4 5097 B12R0.141 CCOCCN(C)C(=O)C[C@@H](C)O eef8c5f1f29d190b732fb9a1a2842289 [0,2,0,0,0,0|2,0,0]=4 5098 B12R0.141 CCOCCN(C)C(=O)C[C@H](C)O 7a629887c733fc0e83be372f2a2e9366 [0,2,0,0,0,0|2,0,0]=4 5099 B12R0.141 COCCCN(C)C(=O)CC(C)C 6b9d829da9e91f28bbffe6da2ab825ea [0,2,0,0,0,0|2,0,0]=4 5100 B12R0.141 COCCCN(C)C(=O)CC(C)O a7364ff407a1f3d6ddf49a7c97df1e5d [0,2,0,0,0,0|2,0,0]=4 5101 B12R0.141 COCCCN(C)C(=O)C[C@@H](C)O 6a49f0f5c7da1fd57b6ebd31c6a75976 [0,2,0,0,0,0|2,0,0]=4 5102 B12R0.141 COCCCN(C)C(=O)C[C@H](C)O 8b5c190d7016408e6bd2c769dcf0c797 [0,2,0,0,0,0|2,0,0]=4 5103 B12R0.141 C[C@@H](O)CC(=O)N(C)CCCCO ec4f4dbbc3ff3ca8055e49bc74c297a8 [0,2,0,0,0,0|2,0,0]=4 5104 B12R0.141 C[C@H](O)CC(=O)N(C)CCCCO cb1620395470e721d98a8df2808c818c [0,2,0,0,0,0|2,0,0]=4 5105 B12R0.202 C#CC(CC(C)C)OCCCCC ba998bd2868ad614583575feb0ee1c0f [0,2,0,0,0,0|1,0,1]=4 5106 B12R0.202 C=CC(CC(C)C)OCCCCC 6f0509714d3036cdce69e7903aa40f6d [0,2,0,0,0,0|1,0,1]=4 5107 B12R0.202 CCCCCOC(C#N)CC(C)C 29cb3b9f13224dfabd4a50da78f5a2d9 [0,2,0,0,0,0|1,0,1]=4 5108 B12R0.241 C=C(C)CC(=O)NCCC(C)CC d9719c6f1201ca7f9222cda8dcb3427e [0,2,0,0,0,0|1,0,1]=4 5109 B12R0.241 CC(C)CC(=O)NCCC(C)CO 7c20c2144355aca4608aecae8e298227 [0,2,0,0,0,0|2,0,0]=4 5110 B12R0.241 CC(C)CC(=O)NCCC(O)CO 986101c166766dee796c3d2c17cb58a1 [0,2,0,0,0,0|2,0,0]=4 5111 B12R0.241 CC(C)CC(=O)NCC[C@@H](C)CO 1bfa5cf0e13b957a91a5340a7d691266 [0,2,0,0,0,0|2,0,0]=4 5112 B12R0.241 CC(C)CC(=O)OCNC(C)CO 3be7238a1c417d27ea3d610b80f7620d [0,2,0,0,0,0|2,0,0]=4 5113 B12R0.241 CC(C)CC(=O)OCN[C@@H](C)CO be6356ca70e98dfc62492e1f510a5020 [0,2,0,0,0,0|2,0,0]=4 5114 B12R0.241 CC(C)CC(=O)OCN[C@H](C)CO 810845602d670de04dc3f48a57270c73 [0,2,0,0,0,0|2,0,0]=4 5115 B12R0.241 CC(C)CC(=O)OCOC(C)CF 92cdfc0a57ea6e223d60186081927550 [0,2,0,0,0,0|2,0,0]=4 5116 B12R0.241 CC(CO)CCNC(=O)C[C@@H](C)O 13e9b3e8eb52e98e67e39ce64db861cf [0,2,0,0,0,0|2,0,0]=4 5117 B12R0.241 CC(CO)CCNC(=O)C[C@H](C)O e1b39c22b8ed1db6261661ef7f68ab4b [0,2,0,0,0,0|2,0,0]=4 5118 B12R0.241 CC(O)CC(=O)NCCC(C)CO 700252b7e87bb5a7de50091d71d7277f [0,2,0,0,0,0|2,0,0]=4 5119 B12R0.241 CC(O)CC(=O)NCCC(O)CO adf8c9eb5ee2e1030cd7ac04f1e1dc99 [0,2,0,0,0,0|2,0,0]=4 5120 B12R0.241 CC(O)CC(=O)NCC[C@@H](C)CO 6eb275aa5f4b87fcf005c9468526f30d [0,2,0,0,0,0|2,0,0]=4 5121 B12R0.241 CCC(C)CCNC(=O)CC(=O)C 6ae71feae3ed592126062a4a155879ae [0,2,0,0,0,0|1,0,1]=4 5122 B12R0.241 CCC(C)CCNC(=O)CC(C)C 84168af550c09e30efc124175680d682 [0,2,0,0,0,0|1,0,0]=3 5123 B12R0.241 CCC(C)CCNC(=O)CC(C)O 26393f29ecb4d3e21e6bd0e93688b687 [0,2,0,0,0,0|1,0,0]=3 5124 B12R0.241 CCC(C)CCNC(=O)CC(F)F c0235bffb7506bb3e9cc2b80033f095c [0,2,0,0,0,0|2,0,0]=4 5125 B12R0.241 CCC(C)CCNC(=O)CN(C)C a63a21b2e12226262e87122c1ff32b0a [0,2,0,0,0,0|2,0,0]=4 5126 B12R0.241 CCC(C)CCNC(=O)C[C@@H](C)O a1340bfef5cc8f97d5967ba808b1db07 [0,2,0,0,0,0|1,0,0]=3 5127 B12R0.241 CCC(C)CCNC(=O)C[C@H](C)O bd5b9cfcc174cbbd5b43b88431a9ee76 [0,2,0,0,0,0|1,0,0]=3 5128 B12R0.241 CCC(C)CCOC(C)CC(C)C ff46a0fdfb58cad097f660e68a7fc2f9 [0,2,0,0,0,0|1,0,1]=4 5129 B12R0.241 CCC(C)CCO[C@@H](C)CC(C)C 752c26a46f95b286b6399129dae8ae11 [0,2,0,0,0,0|1,0,1]=4 5130 B12R0.241 CCC(C)CCO[C@H](C)CC(C)C 205a28f8692144ad16cf352423edc177 [0,2,0,0,0,0|1,0,1]=4 5131 B12R0.241 CCC(C)CNCC(=O)CC(C)C 235ea47bd253fe11e9d4a10a8dba3792 [0,2,0,0,0,0|2,0,0]=4 5132 B12R0.241 CCC(C)COCC(=O)CC(C)C 43c505939f67f2655341f7868f4331c3 [0,2,0,0,0,0|2,0,0]=4 5133 B12R0.241 CCC(C)NCOC(=O)CC(C)C b25521e4ebe1f7a66ba06d4b1d2da296 [0,2,0,0,0,0|1,0,0]=3 5134 B12R0.241 CCC(C)NCOC(=O)OC(C)C c57a48f30721a89055160ab7502ba344 [0,2,0,0,0,0|2,0,0]=4 5135 B12R0.241 CCC(C)OCOC(=O)CC(C)C 2ea5b7ecd5ce4918fd6ea0f610ad93f1 [0,2,0,0,0,0|1,0,0]=3 5136 B12R0.241 CCC(C)OCOC(=O)OC(C)C 58f936e946b2197640ab78bf40952d2f [0,2,0,0,0,0|2,0,0]=4 5137 B12R0.241 CCC(O)CNCC(=O)CC(C)C e4c09f91e3073adfae1abf214d6fde33 [0,2,0,0,0,0|2,0,0]=4 5138 B12R0.241 CCC(S)CCOC(C)CC(C)C 7631ed3881a0346dbf491543bc0dc624 [0,2,0,0,0,0|1,0,1]=4 5139 B12R0.241 CCN(C)CCOC(=O)CC(=O)C bd99f20ebc2a09256a03d0bb1a7fd376 [0,2,0,0,0,0|1,0,1]=4 5140 B12R0.241 CC[C@@H](C)COCC(=O)CC(C)C 414318d8003ec6211942ccc9054eaa96 [0,2,0,0,0,0|2,0,0]=4 5141 B12R0.241 CC[C@@H](C)NCOC(=O)CC(C)C aa1c9142b9de5b8460787ec11b2225b7 [0,2,0,0,0,0|1,0,0]=3 5142 B12R0.241 CC[C@@H](C)NCOC(=O)OC(C)C 7a94b4cedec429349999ec1e7688a10a [0,2,0,0,0,0|2,0,0]=4 5143 B12R0.241 CC[C@@H](C)OCOC(=O)CC(C)C d755767f6eb049ff84b6ed2b2614069c [0,2,0,0,0,0|1,0,0]=3 5144 B12R0.241 CC[C@@H](C)OCOC(=O)OC(C)C 2fd67f42b3438586e949a0b97bd603c0 [0,2,0,0,0,0|2,0,0]=4 5145 B12R0.241 CC[C@@H](O)CNCC(=O)CC(C)C 2714a0c909ce4a5cf99f99f37fb27f73 [0,2,0,0,0,0|2,0,0]=4 5146 B12R0.241 CC[C@H](C)CCOC(C)CC(C)C 9ddf1e8e928d78f8326d5d909709bad5 [0,2,0,0,0,0|1,0,1]=4 5147 B12R0.241 CC[C@H](C)CNCC(=O)CC(C)C 1202c95420800d57eb50190fd695b504 [0,2,0,0,0,0|2,0,0]=4 5148 B12R0.241 CC[C@H](C)COCC(=O)CC(C)C 8094fdb9d430675f2fde21db8b04a7a1 [0,2,0,0,0,0|2,0,0]=4 5149 B12R0.241 CC[C@H](C)NCOC(=O)CC(C)C 07a877f35f4f291bfe843018c74800e8 [0,2,0,0,0,0|1,0,0]=3 5150 B12R0.241 CC[C@H](C)NCOC(=O)OC(C)C 664c4a42c03cb2eae533e4842d885062 [0,2,0,0,0,0|2,0,0]=4 5151 B12R0.241 CC[C@H](C)OCOC(=O)CC(C)C 13cc4dc38219de0055edb7b611ffd991 [0,2,0,0,0,0|1,0,0]=3 5152 B12R0.241 CC[C@H](C)OCOC(=O)OC(C)C 4224e51bca558bf428b386447578dac9 [0,2,0,0,0,0|2,0,0]=4 5153 B12R0.241 C[C@@H](CO)CCNC(=O)C[C@@H](C)O 588e870658c150267fec26e885ca3067 [0,2,0,0,0,0|2,0,0]=4 5154 B12R0.241 C[C@@H](CO)CCNC(=O)C[C@H](C)O a72049bbf5b23dd37e482ea2f40b7d7b [0,2,0,0,0,0|2,0,0]=4 5155 B12R0.241 C[C@@H](O)CC(=O)NCCC(O)CO 0df0bbb25548cd8175b3b9f2ffb596f3 [0,2,0,0,0,0|2,0,0]=4 5156 B12R0.241 C[C@H](O)CC(=O)NCCC(O)CO 1efbacd3d08dc34f6996e7297e0a017c [0,2,0,0,0,0|2,0,0]=4 5157 B12R0.270 C=C(C)CC(=O)NCCCC(C)C 5bb2c2c9c3d79f3638b87a08834d1e7f [0,2,0,0,0,0|1,0,1]=4 5158 B12R0.270 C=C(C)CNCOC(=O)CC(C)C 02c219db0087387f16a3e6fc464a8602 [0,2,0,0,0,0|1,0,1]=4 5159 B12R0.270 C=C(C)COCOC(=O)CC(C)C e1de043d76a8f0634da00c2d19be192e [0,2,0,0,0,0|1,0,1]=4 5160 B12R0.270 CC(=O)CC(=O)NCCCC(C)C b9cbe255f4dceddd12afdbac4c06ac27 [0,2,0,0,0,0|1,0,1]=4 5161 B12R0.270 CC(=O)CC(=O)OCCOC(C)C 28cef2fa4da7e5b75b42f4586fba26ea [0,2,0,0,0,0|1,0,1]=4 5162 B12R0.270 CC(=O)CNCOC(=O)CC(C)C 71e7337eb5113ef5b64692a6c7491d04 [0,2,0,0,0,0|1,0,1]=4 5163 B12R0.270 CC(=O)COCOC(=O)CC(C)C 9c61ad0cd29dac3e07b25bf6e959d3cb [0,2,0,0,0,0|1,0,1]=4 5164 B12R0.270 CC(C)CC(=O)CNCCC(C)O d2681ed8a94899d760e2cb3211ac86a1 [0,2,0,0,0,0|2,0,0]=4 5165 B12R0.270 CC(C)CC(=O)CNCC[C@@H](C)O f3fa98487d805d32d8a1de0ff286d543 [0,2,0,0,0,0|2,0,0]=4 5166 B12R0.270 CC(C)CC(=O)CNCC[C@H](C)O bac88df339d631873124d3f1738a3f67 [0,2,0,0,0,0|2,0,0]=4 5167 B12R0.270 CC(C)CC(=O)NCCCN(C)C 7b6e7c46f64b4e6fd5d701dae9797bc1 [0,2,0,0,0,0|2,0,0]=4 5168 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 2af39cd84a6dccd906f76191334dc29a [0,2,0,0,0,0|2,0,0]=4 5169 B12R0.270 CC(C)CC(=O)NCCOC(C)C 9a348a871b31339293ffe5c904aaaf91 [0,2,0,0,0,0|2,0,0]=4 5170 B12R0.270 CC(C)CC(=O)OCNCC(C)O 087caa8f1c2f2f6786abf7a7ceb7b617 [0,2,0,0,0,0|1,0,0]=3 5171 B12R0.270 CC(C)CC(=O)OCNCC(F)F 6af9c833026f3926ebdcef9e94bc5ad1 [0,2,0,0,0,0|2,0,0]=4 5172 B12R0.270 CC(C)CC(=O)OCNC[C@@H](C)O dec26399e6117ffaad21d34bc0f27e2f [0,2,0,0,0,0|1,0,0]=3 5173 B12R0.270 CC(C)CC(=O)OCNC[C@H](C)O 2892bac6ebb542d706061eccf888854d [0,2,0,0,0,0|1,0,0]=3 5174 B12R0.270 CC(C)CC(=O)OCOCC(C)F d7a52a3374f5b7a97cb68832d19c9558 [0,2,0,0,0,0|1,0,0]=3 5175 B12R0.270 CC(C)CC(=O)OCOCC(C)S 7ae48406ec16eaaf9b1c2c089b548e60 [0,2,0,0,0,0|1,0,0]=3 5176 B12R0.270 CC(C)CC(=O)OCOCC(F)F 88004384243b53034510491b235e21d6 [0,2,0,0,0,0|2,0,0]=4 5177 B12R0.270 CC(C)CC(=O)OCOC[C@@H](C)F ab0b96bb84ea8cb01a59c180c940f4ce [0,2,0,0,0,0|1,0,0]=3 5178 B12R0.270 CC(C)CC(=O)OCOC[C@H](C)F 7da7296b5682b1741e42e8e128b823c7 [0,2,0,0,0,0|1,0,0]=3 5179 B12R0.270 CC(C)CCCNC(=O)CC(C)C 28eb7d5c4538aa4eb50323efa79a117d [0,2,0,0,0,0|1,0,0]=3 5180 B12R0.270 CC(C)CCCNC(=O)CC(C)O 0e071abecc9d0467aee65cff4abbdac6 [0,2,0,0,0,0|1,0,0]=3 5181 B12R0.270 CC(C)CCCNC(=O)CC(F)F 29c395478b578bdf1e0502f2219addd4 [0,2,0,0,0,0|2,0,0]=4 5182 B12R0.270 CC(C)CCCNC(=O)CN(C)C 27106268b99a47397fd30b0efa1da760 [0,2,0,0,0,0|2,0,0]=4 5183 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O eac2d08329c78040839815a44e402b54 [0,2,0,0,0,0|1,0,0]=3 5184 B12R0.270 CC(C)CCCNC(=O)C[C@H](C)O 1b5c7e9dc4000b2b5f11dda012b373f3 [0,2,0,0,0,0|1,0,0]=3 5185 B12R0.270 CC(C)CCCOC(C)CC(C)C bc342ef50e956a28f0225237bb26e444 [0,2,0,0,0,0|1,0,1]=4 5186 B12R0.270 CC(C)CCCO[C@@H](C)CC(C)C ff5d02e349401cd2ab60f65ce09249a4 [0,2,0,0,0,0|1,0,1]=4 5187 B12R0.270 CC(C)CCCO[C@H](C)CC(C)C b07f8f00f3e9edcd5af6b4ff48a628ca [0,2,0,0,0,0|1,0,1]=4 5188 B12R0.270 CC(C)CCNCC(=O)CC(C)C 0e34a56949b1f5efc34b35bb5a26ddc7 [0,2,0,0,0,0|2,0,0]=4 5189 B12R0.270 CC(C)CCOCC(=O)CC(C)C 4056709ae3a53bc85e55e5ca4177a708 [0,2,0,0,0,0|2,0,0]=4 5190 B12R0.270 CC(C)CNCOC(=O)CC(C)C 114f8cf4a8cf2c8f478bae99b7007a36 [0,2,0,0,0,0|1,0,0]=3 5191 B12R0.270 CC(C)CNCOC(=O)OC(C)C dda6302a16865b05edb5520ff29792e5 [0,2,0,0,0,0|2,0,0]=4 5192 B12R0.270 CC(C)COCOC(=O)CC(C)C a3e9d5344c75e3148e8a911cd2a05328 [0,2,0,0,0,0|1,0,0]=3 5193 B12R0.270 CC(C)COCOC(=O)OC(C)C aaa1ceae84023b6dafd292ebc80134f1 [0,2,0,0,0,0|2,0,0]=4 5194 B12R0.270 CC(C)OC(=O)OCNC[C@@H](C)O 746b50c1de59e8f9f76f604a7d73fe27 [0,2,0,0,0,0|2,0,0]=4 5195 B12R0.270 CC(C)OC(=O)OCNC[C@H](C)O 0dbd6331a870de6cd1e2382516cbac55 [0,2,0,0,0,0|2,0,0]=4 5196 B12R0.270 CC(C)OC(=O)OCOC[C@@H](C)F 71fc9d8fc321a9895155fe0d8559028d [0,2,0,0,0,0|2,0,0]=4 5197 B12R0.270 CC(C)OC(=O)OCOC[C@H](C)F 859a3a8d29f3c3e257fcff44af8bbeba [0,2,0,0,0,0|2,0,0]=4 5198 B12R0.270 CC(C)OCCNC(=O)C[C@@H](C)O 3c3acc1f2d533cdfea5b2209a7145756 [0,2,0,0,0,0|2,0,0]=4 5199 B12R0.270 CC(C)OCCNC(=O)C[C@H](C)O 41043de8b6f65b5051535cd4419eca4d [0,2,0,0,0,0|2,0,0]=4 5200 B12R0.270 CC(F)COCOC(=O)OC(C)C a90dba7d333256f7eea5e67c70401863 [0,2,0,0,0,0|2,0,0]=4 5201 B12R0.270 CC(O)CC(=O)NCCCN(C)C 4435def4bed83859043e8e4756dcc105 [0,2,0,0,0,0|2,0,0]=4 5202 B12R0.270 CC(O)CC(=O)NCCCS(=O)C 4a5567336c2c61053ac6691fc392e5d5 [0,2,0,0,0,0|2,0,0]=4 5203 B12R0.270 CC(O)CC(=O)NCCOC(C)C 3925ba532c24033420c1d629d755857d [0,2,0,0,0,0|2,0,0]=4 5204 B12R0.270 CC(O)CNCOC(=O)OC(C)C 63c5163d05c05fe1bf4d72cac5a922c7 [0,2,0,0,0,0|2,0,0]=4 5205 B12R0.270 CC(S)COCOC(=O)OC(C)C e3ae5419c89c025187ba4c5ee3974216 [0,2,0,0,0,0|2,0,0]=4 5206 B12R0.270 C[C@@H](O)CC(=O)NCCCN(C)C 1bc89048fc6008a2c4e9bd5132f75bfa [0,2,0,0,0,0|2,0,0]=4 5207 B12R0.270 C[C@@H](O)CC(=O)NCCCS(=O)C fd8fc83013901758a9bb7a87a4e42b75 [0,2,0,0,0,0|2,0,0]=4 5208 B12R0.270 C[C@H](O)CC(=O)NCCCN(C)C ad819e09727fdd2748b1eb8cdc9b9b99 [0,2,0,0,0,0|2,0,0]=4 5209 B12R0.270 C[C@H](O)CC(=O)NCCCS(=O)C 8ec9f7fa828d1a7b398ef99e79a5738e [0,2,0,0,0,0|2,0,0]=4 5210 B12R0.272 C=C(C)CC(=O)NCC(O)CCC 67a96aa91a5fb3cb118781c67d8f13f6 [0,2,0,0,0,0|1,0,1]=4 5211 B12R0.272 CC(C)CC(=O)NCC(C)CCO a099a3c83819e042c8b65db2d451739c [0,2,0,0,0,0|2,0,0]=4 5212 B12R0.272 CC(C)CC(=O)OCN(C)CCF cd1005ea0bf92c14744d456494df19bb [0,2,0,0,0,0|2,0,0]=4 5213 B12R0.272 CC(C)CC(=O)OCN(C)CCO 4b546a453b006f4210d2cb9044f29efc [0,2,0,0,0,0|2,0,0]=4 5214 B12R0.272 CC(C)CC(O)CNC(=O)CCF 5e353e4852e1aefdea16a50a71e130a0 [0,2,0,0,0,0|2,0,0]=4 5215 B12R0.272 CC(C)CC(O)CNC(=O)CCO eb35a80288cb98d2143375191a187cbe [0,2,0,0,0,0|2,0,0]=4 5216 B12R0.272 CC(C)CC(O)CNC(=O)CCS 5443ba2063f3dd3e3e4313bc4c758d73 [0,2,0,0,0,0|2,0,0]=4 5217 B12R0.272 CC(CCO)CNC(=O)C[C@@H](C)O 166122b8f71eb1842cde6daf4c0431ff [0,2,0,0,0,0|2,0,0]=4 5218 B12R0.272 CC(CCO)CNC(=O)C[C@H](C)O 137037bfcf6b876d03baacddded8b192 [0,2,0,0,0,0|2,0,0]=4 5219 B12R0.272 CC(O)CC(=O)NCC(C)CCO a0d100c4332cf5a3ac227081bd2df726 [0,2,0,0,0,0|2,0,0]=4 5220 B12R0.272 CCCC(=O)CNC(C)CC(C)C 2c18da683b8e8c49f4c23f8e399a1c67 [0,2,0,0,0,0|2,0,0]=4 5221 B12R0.272 CCCC(=O)CNC(C)CC(C)O d8f000e2e674c2b674b682b688b7ae0b [0,2,0,0,0,0|2,0,0]=4 5222 B12R0.272 CCCC(=O)COC(C)CC(C)C 9259f26ae85884306aff92439843ede8 [0,2,0,0,0,0|2,0,0]=4 5223 B12R0.272 CCCC(=O)CO[C@@H](C)CC(C)C acb63438dd687a9fec05824d306bcaa9 [0,2,0,0,0,0|2,0,0]=4 5224 B12R0.272 CCCC(=O)CO[C@H](C)CC(C)C 0722174853ec844516044a5f2f6031d0 [0,2,0,0,0,0|2,0,0]=4 5225 B12R0.272 CCCC(=O)NCC(C)CN(C)C 2d4051cf5b95edc8774945e6d8c3013f [0,2,0,0,0,0|2,0,0]=4 5226 B12R0.272 CCCC(=O)NCC(O)CC(C)C 2dc1f2b5eb7798a9f7bc8c2b341931fc [0,2,0,0,0,0|1,0,0]=3 5227 B12R0.272 CCCC(=O)NCC(O)CN(C)C 9250e2288aa423d6e8185a6450846393 [0,2,0,0,0,0|2,0,0]=4 5228 B12R0.272 CCCC(=O)OCN(C)CC(C)C d2027a97a3a228fd97fcfa26ba22e0ad [0,2,0,0,0,0|1,0,0]=3 5229 B12R0.272 CCCC(=O)OCN(C)CC(C)O 1f4e7d6932f4cfc5af7c22283f4256a7 [0,2,0,0,0,0|1,0,0]=3 5230 B12R0.272 CCCC(=O)OCN(C)CC(F)F f199138a7cb36bea49efb8d336f07116 [0,2,0,0,0,0|2,0,0]=4 5231 B12R0.272 CCCC(=O)OCN(C)C[C@H](C)O 570a7452a4fc6ff9e61a95dae6444ab2 [0,2,0,0,0,0|1,0,0]=3 5232 B12R0.272 CCCC(=S)OCC(=O)CC(C)C b89fa21c4ee33deb5024d92bd0b584a7 [0,2,0,0,0,0|0,1,1]=4 5233 B12R0.272 CCCC(=S)OCC(C)CN(C)C e19cbbd1299d9eccef1809a669fdc5b0 [0,2,0,0,0,0|1,1,0]=4 5234 B12R0.272 CCCC(C)COC(C)CC(C)C b60c7b80115f92c9f58aec4f91c9c72f [0,2,0,0,0,0|1,0,1]=4 5235 B12R0.272 CCCC(C)CO[C@@H](C)CC(C)C bface1ea40ffc464035837b65281c83c [0,2,0,0,0,0|1,0,1]=4 5236 B12R0.272 CCCC(C)CO[C@H](C)CC(C)C ee9b46a335305ba23fb003f026cb56f9 [0,2,0,0,0,0|1,0,1]=4 5237 B12R0.272 CCCC(C)NCC(=O)CC(C)C bb9fae4f334bfec606368cc34cdb6fec [0,2,0,0,0,0|2,0,0]=4 5238 B12R0.272 CCCC(C)OCC(=O)CC(C)C bb8b97107986540f1b895feace0f03b5 [0,2,0,0,0,0|2,0,0]=4 5239 B12R0.272 CCCC(C)OCC(C)CC(C)C 7581f3b696d62131f6e2f6dd3f5e06cc [0,2,0,0,0,0|1,0,1]=4 5240 B12R0.272 CCCC(O)CNC(=O)CC(=O)C 646bf3f4113c9aec5015a1610967d9b2 [0,2,0,0,0,0|1,0,1]=4 5241 B12R0.272 CCCC(O)CNC(=O)CC(C)C ce267ae6af40041993fb9457ec90c22c [0,2,0,0,0,0|1,0,0]=3 5242 B12R0.272 CCCC(O)CNC(=O)CC(C)O 0b85138ad5b39c5be987b88316109b01 [0,2,0,0,0,0|1,0,0]=3 5243 B12R0.272 CCCC(O)CNC(=O)CC(F)F cb895c809699fe2796b22e37b0c45e7f [0,2,0,0,0,0|2,0,0]=4 5244 B12R0.272 CCCC(O)CNC(=O)CN(C)C e9293847c583a7aae41d4b4f6cecc3de [0,2,0,0,0,0|2,0,0]=4 5245 B12R0.272 CCCC(O)CNC(=O)C[C@@H](C)O f9d27221f2b4b8316dc46c059e461937 [0,2,0,0,0,0|1,0,0]=3 5246 B12R0.272 CCCC(O)CNC(=O)C[C@H](C)O 2df9d543a743088c5fa69336ca2c5a47 [0,2,0,0,0,0|1,0,0]=3 5247 B12R0.272 CCCN(C)COC(=O)CC(C)C f679a81097d1a3b72255d9c7e69b489a [0,2,0,0,0,0|1,0,0]=3 5248 B12R0.272 CCCN(C)COC(=O)OC(C)C c72dae23fc39a3b29da134b071f6427d [0,2,0,0,0,0|2,0,0]=4 5249 B12R0.272 CCC[C@@H](C)OCC(=O)CC(C)C b95b4a3b7688f5f57fb1a1e9654c9f3d [0,2,0,0,0,0|2,0,0]=4 5250 B12R0.272 CCC[C@H](C)NCC(=O)CC(C)C e94663753a8ae82d8401a192078efff2 [0,2,0,0,0,0|2,0,0]=4 5251 B12R0.272 CCC[C@H](C)OCC(=O)CC(C)C aa53c1b1f285092dc2287d7597c0455a [0,2,0,0,0,0|2,0,0]=4 5252 B12R0.272 CCOC(=O)OCN(C)CC(C)C 15741e48f982344182880a274a97c1de [0,2,0,0,0,0|2,0,0]=4 5253 B12R0.272 CCOC(=O)OCN(C)CC(C)O 70d43ff91f06df327ec67421e665b8f2 [0,2,0,0,0,0|2,0,0]=4 5254 B12R0.272 CCOC(=O)OCN(C)C[C@H](C)O 686cebfdfcf7026e31a1ffa8057c1f33 [0,2,0,0,0,0|2,0,0]=4 5255 B12R0.272 CCOC(C)CNC(=O)CC(C)C 699b30ad3d82b4ba6ed1228f12ab016f [0,2,0,0,0,0|2,0,0]=4 5256 B12R0.272 CCOC(C)CNC(=O)CC(C)O 1067b7eafa79b00535d6d84fe64ed418 [0,2,0,0,0,0|2,0,0]=4 5257 B12R0.272 CCOC(C)CNC(=O)C[C@@H](C)O fbc01a480c7b1f210a77b120484ae9df [0,2,0,0,0,0|2,0,0]=4 5258 B12R0.272 CCOC(C)CNC(=O)C[C@H](C)O 47d68413fbca38e71901fde47f0c4a32 [0,2,0,0,0,0|2,0,0]=4 5259 B12R0.272 CCSC(=O)OCN(C)CC(C)C 03683596b2ac459b6283333bea1ba6a7 [0,2,0,0,0,0|2,0,0]=4 5260 B12R0.272 CCSC(=O)OCN(C)CC(C)O 16e19d4202f0af6156b73b21cc01bdc2 [0,2,0,0,0,0|2,0,0]=4 5261 B12R0.272 CCSC(=O)OCN(C)C[C@H](C)O 22033a80d1f3ee3afab492df18983455 [0,2,0,0,0,0|2,0,0]=4 5262 B12R0.272 COCC(=O)NCC(O)CC(C)C 5f1bd08506dcce7d102f48a3d7f5312e [0,2,0,0,0,0|2,0,0]=4 5263 B12R0.272 COCC(O)CNC(=O)CC(C)C 3cc55dd9a76064efa2ed69b8447421c5 [0,2,0,0,0,0|2,0,0]=4 5264 B12R0.272 COCC(O)CNC(=O)CC(C)O c798a264ddba88b33c3e1563b0b7460c [0,2,0,0,0,0|2,0,0]=4 5265 B12R0.272 COCC(O)CNC(=O)C[C@@H](C)O b76112d35ab8f11f39bf88779a0fdf26 [0,2,0,0,0,0|2,0,0]=4 5266 B12R0.272 COCC(O)CNC(=O)C[C@H](C)O 783db1b53b0c3508944af17957f3980c [0,2,0,0,0,0|2,0,0]=4 5267 B12R0.272 COC[C@@H](O)CNC(=O)CC(C)C a5d9daa93776d5cfb2665245d34ede2c [0,2,0,0,0,0|2,0,0]=4 5268 B12R0.272 COC[C@@H](O)CNC(=O)CC(C)O 6fe999b0733becee766f3ae611be504e [0,2,0,0,0,0|2,0,0]=4 5269 B12R0.272 COC[C@@H](O)CNC(=O)C[C@@H](C)O f8d0320261295b996eff65619176d520 [0,2,0,0,0,0|2,0,0]=4 5270 B12R0.272 COC[C@@H](O)CNC(=O)C[C@H](C)O b17d0088c9dc85391c45b42233c1e478 [0,2,0,0,0,0|2,0,0]=4 5271 B12R0.272 CSCC(=O)NCC(O)CC(C)C 7a3e8d795916f6f17627e8382b9eb98e [0,2,0,0,0,0|2,0,0]=4 5272 B12R0.1 C#CCCCCCNC(=O)CCC 0444536b0cefb53d747805c9184bef9a [0,2,0,0,0,0|1,0,0]=3 5273 B12R0.1 C#CCCCCCNC(=O)CCF 86493d937b8133b5520ec2d30ff80f00 [0,2,0,0,0,0|2,0,0]=4 5274 B12R0.1 C#CCCCCCNC(=O)CCO 5761e0506f391fdb21d36668a257251e [0,2,0,0,0,0|2,0,0]=4 5275 B12R0.1 C#CCCCCCNC(=O)CCS e48f55745c74752c4310f0c4400156a2 [0,2,0,0,0,0|2,0,0]=4 5276 B12R0.1 C#CCCCCCNC(=O)COC bc69e4a87e72b487e58663d0daf1ed82 [0,2,0,0,0,0|2,0,0]=4 5277 B12R0.1 C#CCCCCCNC(=O)CSC a714812e1f6a8801508425e53b95fd5e [0,2,0,0,0,0|2,0,0]=4 5278 B12R0.1 C#CCCCCCOC(=S)CCC 1421109afbd42d8c51e3ead441979c15 [0,2,0,0,0,0|0,1,0]=3 5279 B12R0.1 C#CCCCCCOC(C)CCC d6cbfcf8b7e02063187c7f3c29842277 [0,2,0,0,0,0|1,0,1]=4 5280 B12R0.1 C#CCCCCCO[C@@H](C)CCC c2b914ec4f6ff0a7790b86128c5c20c7 [0,2,0,0,0,0|1,0,1]=4 5281 B12R0.1 C#CCCCCCO[C@H](C)CCC 5f211372ed0953ff5629fed9ac500138 [0,2,0,0,0,0|1,0,1]=4 5282 B12R0.1 C#CCCCCNCC(=O)CCC 4188eb4bdb9a68f38b20a8f767076f23 [0,2,0,0,0,0|1,0,1]=4 5283 B12R0.1 C#CCCCCOCC(=O)CCC 506cd257b6ef16af2ae2833fd586a732 [0,2,0,0,0,0|0,0,1]=3 5284 B12R0.1 C#CCCCCOCC(=O)NCC 7ce6594ee2891f20100a202395c17ae9 [0,2,0,0,0,0|1,0,1]=4 5285 B12R0.1 C#CCCCCOCC(=O)OCC 2c0aafcd35d95f8c1147b4ee9b484c4e [0,2,0,0,0,0|1,0,1]=4 5286 B12R0.1 C#CCCCNCOC(=O)CCC ce662aafad9dac8b55b5653a924f7a17 [0,2,0,0,0,0|0,0,1]=3 5287 B12R0.1 C#CCCCNCOC(=O)OCC 30502080c9ceb9c346be294811d06cd1 [0,2,0,0,0,0|1,0,1]=4 5288 B12R0.1 C#CCCCNCOC(=O)SCC 17862b452137ed250700bb88b46cf93f [0,2,0,0,0,0|1,0,1]=4 5289 B12R0.1 C#CCCCOCOC(=O)CCC 49a02caf469efc16789a327ffe5d7939 [0,2,0,0,0,0|0,0,1]=3 5290 B12R0.1 C#CCCCOCOC(=O)OCC d0a7f6980aa81b8dd360262dd0b55c58 [0,2,0,0,0,0|1,0,1]=4 5291 B12R0.1 C#CCCCOCOC(=O)SCC 8016bee38d5b8e3c1f800c2a54ce93c8 [0,2,0,0,0,0|1,0,1]=4 5292 B12R0.1 C#CCCOCCOC(=O)CCC 7e708b214c0c756f5a4c11925ed425e4 [0,2,0,0,0,0|0,0,1]=3 5293 B12R0.1 C#CCOCCOCC(=O)CCC ae8773fff4d9ee9a45dc9a6035f3ee92 [0,2,0,0,0,0|0,0,2]=4 5294 B12R0.1 C/C=C/CCCOCC(=O)CCC 094fd9594ee512dffc6123fbe7fe7a79 [0,2,0,0,0,0|0,0,1]=3 5295 B12R0.1 C/C=C/CCCOCC(=O)COC 2c1f9abd8e7553f220e935d7a0cfc191 [0,2,0,0,0,0|1,0,1]=4 5296 B12R0.1 C/C=C/CCCOCC(=O)NCC 6b049d24717210761d46519189b31d22 [0,2,0,0,0,0|1,0,1]=4 5297 B12R0.1 C/C=C/CCCOCC(=O)OCC 6fe01d780242b326f2b6760903826e15 [0,2,0,0,0,0|1,0,1]=4 5298 B12R0.1 C/C=C/CCOCOC(=O)CCC 95499e14dbff670c152b5f9ae516c871 [0,2,0,0,0,0|0,0,1]=3 5299 B12R0.1 C/C=C/CCOCOC(=O)OCC 6a3f3bf3cf8ee6b77ef0cf756289e562 [0,2,0,0,0,0|1,0,1]=4 5300 B12R0.1 C/C=C/CCOCOC(=O)SCC 6cf314886c062ae01c07352b740decc2 [0,2,0,0,0,0|1,0,1]=4 5301 B12R0.1 C/C=C/COCCOC(=O)CCC 489b53a355793d0d79dffa1cfb2fcc49 [0,2,0,0,0,0|0,0,1]=3 5302 B12R0.1 C/C=C\CCCOCC(=O)CCC 490897e6d65ac08f044c38660527e24b [0,2,0,0,0,0|0,0,1]=3 5303 B12R0.1 C/C=C\CCCOCC(=O)COC 1f2bf897e37e81c32296a73c9c8d1ef2 [0,2,0,0,0,0|1,0,1]=4 5304 B12R0.1 C/C=C\CCCOCC(=O)NCC f53c5cfefc8bbe262d5e01ec3ac6c3f7 [0,2,0,0,0,0|1,0,1]=4 5305 B12R0.1 C/C=C\CCCOCC(=O)OCC eb0201d9ba925f38c8b343eb0871d476 [0,2,0,0,0,0|1,0,1]=4 5306 B12R0.1 C/C=C\COCCOC(=O)CCC e4085687d87d593233eefa43329df696 [0,2,0,0,0,0|0,0,1]=3 5307 B12R0.1 C=C=CCCOCOC(=O)CCC f86f71828c6f055ff87516fb09d25e49 [0,2,0,0,0,0|0,0,2]=4 5308 B12R0.1 C=CCCCCCNC(=O)CCC 7d693c25bbdba131af85fc7950a2fd42 [0,2,0,0,0,0|1,0,0]=3 5309 B12R0.1 C=CCCCCCNC(=O)CCF d8756abbee90ecf2086dd1e13a24ff68 [0,2,0,0,0,0|2,0,0]=4 5310 B12R0.1 C=CCCCCCNC(=O)CCO 0ceacda1e64f587305b1f17070b83fda [0,2,0,0,0,0|2,0,0]=4 5311 B12R0.1 C=CCCCCCNC(=O)CCS d7ff0218bd3c6807d62b6dccdc6fc35f [0,2,0,0,0,0|2,0,0]=4 5312 B12R0.1 C=CCCCCCNC(=O)COC 637b571b90d46f2842c804b6291a8781 [0,2,0,0,0,0|2,0,0]=4 5313 B12R0.1 C=CCCCCCNC(=O)CSC 3874507e84e49dc698f034903ed495a6 [0,2,0,0,0,0|2,0,0]=4 5314 B12R0.1 C=CCCCCCOC(=S)CCC 26237e5dcf839f4fad4e1c60800a7c1b [0,2,0,0,0,0|0,1,0]=3 5315 B12R0.1 C=CCCCCCOC(C)CCC dadc7f22bdc51f80a928948a2aeeab9c [0,2,0,0,0,0|1,0,1]=4 5316 B12R0.1 C=CCCCCCO[C@@H](C)CCC 38f4516f2186ec5801d74cc56045a004 [0,2,0,0,0,0|1,0,1]=4 5317 B12R0.1 C=CCCCCCO[C@H](C)CCC dbc1c5061bf4ead45e70133f21d693d0 [0,2,0,0,0,0|1,0,1]=4 5318 B12R0.1 C=CCCCCNCC(=O)CCC 951b05cd9c3ac2bc2dba344c406402d4 [0,2,0,0,0,0|1,0,1]=4 5319 B12R0.1 C=CCCCCOCC(=O)CCC ab9360d9215ce4a637d3ebcf2a1fe066 [0,2,0,0,0,0|0,0,1]=3 5320 B12R0.1 C=CCCCCOCC(=O)COC 822adce48e83451a2100494c1b05fb74 [0,2,0,0,0,0|1,0,1]=4 5321 B12R0.1 C=CCCCCOCC(=O)NCC 41a6620279850b3f5696c1cb67b8202e [0,2,0,0,0,0|1,0,1]=4 5322 B12R0.1 C=CCCCCOCC(=O)OCC d4fd6ecc9176f5a8eee2e3161c5689cd [0,2,0,0,0,0|1,0,1]=4 5323 B12R0.1 C=CCCCNCOC(=O)CCC 7d444b18e3f0907e4a60f1ee6124ed7b [0,2,0,0,0,0|0,0,1]=3 5324 B12R0.1 C=CCCCNCOC(=O)OCC edfbc06426c8e2b8c019eb441a0ca57b [0,2,0,0,0,0|1,0,1]=4 5325 B12R0.1 C=CCCCNCOC(=O)SCC f53742f006f8eeedcea08b4eaec8a454 [0,2,0,0,0,0|1,0,1]=4 5326 B12R0.1 C=CCCCOCOC(=O)CCC ed325ac0e143678d976e90e3b43ada63 [0,2,0,0,0,0|0,0,1]=3 5327 B12R0.1 C=CCCCOCOC(=O)OCC bb2e03b49613fa6187f7886a6d10826d [0,2,0,0,0,0|1,0,1]=4 5328 B12R0.1 C=CCCCOCOC(=O)SCC 6b4366b0e149f3e2f8fb95e84b10b822 [0,2,0,0,0,0|1,0,1]=4 5329 B12R0.1 C=CCCOCCOC(=O)CCC e07adf6e05aeb395e256be8041b382d5 [0,2,0,0,0,0|0,0,1]=3 5330 B12R0.1 C=CCOCCOCC(=O)CCC 3dd2dbaaf3f44a5ea4df00ba5eb68028 [0,2,0,0,0,0|0,0,2]=4 5331 B12R0.1 C=COCCNCOC(=O)CCC dd98fa8143403dc182dec7b38a43ddab [0,2,0,0,0,0|0,0,2]=4 5332 B12R0.1 C=COCCOCOC(=O)CCC 55cfa0c78e75210b859f02d08c8138af [0,2,0,0,0,0|0,0,2]=4 5333 B12R0.1 CC#CCCCOCC(=O)CCC 6ad348d1ccbde0ec4aa3a553a98c28fd [0,2,0,0,0,0|0,0,1]=3 5334 B12R0.1 CC#CCCCOCC(=O)COC 118fadb5895944e0e3491d3a62d97479 [0,2,0,0,0,0|1,0,1]=4 5335 B12R0.1 CC#CCCCOCC(=O)NCC 8bffc69fb61271b008c3184763ffab1d [0,2,0,0,0,0|1,0,1]=4 5336 B12R0.1 CC#CCCCOCC(=O)OCC 09f65cf229266c77c3a09b7ab3616d89 [0,2,0,0,0,0|1,0,1]=4 5337 B12R0.1 CC#CCCOCOC(=O)CCC 5b2aba7fa9a760442bc76bf9fe1ad6d7 [0,2,0,0,0,0|0,0,1]=3 5338 B12R0.1 CC#CCCOCOC(=O)OCC 33e96f30ff59447570a09375b1556343 [0,2,0,0,0,0|1,0,1]=4 5339 B12R0.1 CC#CCCOCOC(=O)SCC 389e63ff2db8d4a249167e9086909fbc [0,2,0,0,0,0|1,0,1]=4 5340 B12R0.1 CC/C=C/CCOCC(=O)CCC 41317b7200754cb3bcb4d021be103013 [0,2,0,0,0,0|0,0,1]=3 5341 B12R0.1 CC/C=C/CCOCC(=O)COC d02dd1e21b81ffbdda1c92d77ff584a9 [0,2,0,0,0,0|1,0,1]=4 5342 B12R0.1 CC/C=C/CCOCC(=O)NCC fe9581a6f67d6eb4392a489a78f70f45 [0,2,0,0,0,0|1,0,1]=4 5343 B12R0.1 CC/C=C/CCOCC(=O)OCC 792c7b41cf5d663e26e699dcbebba13a [0,2,0,0,0,0|1,0,1]=4 5344 B12R0.1 CC/C=C/COCOC(=O)CCC 751e8c6adb3230aeb797eb5cbfec30f1 [0,2,0,0,0,0|0,0,1]=3 5345 B12R0.1 CC/C=C/COCOC(=O)OCC 11dc7c1cdd25438fbd07b3e678f5c1ef [0,2,0,0,0,0|1,0,1]=4 5346 B12R0.1 CC/C=C/COCOC(=O)SCC b0c4a382e10c06b4845da308e9db6204 [0,2,0,0,0,0|1,0,1]=4 5347 B12R0.1 CC/C=C\CCCOC(C)CCC 5ef7e519bbdffd066a6111c99b3e12a5 [0,2,0,0,0,0|1,0,1]=4 5348 B12R0.1 CC/C=C\CCOCC(=O)CCC e77a99429b63562e524ba646f33af3e8 [0,2,0,0,0,0|0,0,1]=3 5349 B12R0.1 CC/C=C\CCOCC(=O)COC 87874e1cfd0a0a1629fe0b62f11113d1 [0,2,0,0,0,0|1,0,1]=4 5350 B12R0.1 CC/C=C\CCOCC(=O)NCC 8be75100f209e13fc4cfab12ae8d3872 [0,2,0,0,0,0|1,0,1]=4 5351 B12R0.1 CC/C=C\CCOCC(=O)OCC 58e8adf0bb2c35a15246ec12bfd9507a [0,2,0,0,0,0|1,0,1]=4 5352 B12R0.1 CC/C=C\COCOC(=O)CCC 8985582aaa97e002718761b99bc8fde9 [0,2,0,0,0,0|0,0,1]=3 5353 B12R0.1 CC/C=C\COCOC(=O)OCC 33322914ff9fb20c2a7a0ac5b896b61f [0,2,0,0,0,0|1,0,1]=4 5354 B12R0.1 CC/C=C\COCOC(=O)SCC d10e8c1b956611bf8b7214c5d2e1589b [0,2,0,0,0,0|1,0,1]=4 5355 B12R0.1 CC=C=CCCOCC(=O)CCC e89da325309b61da84be6e06938975eb [0,2,0,0,0,0|0,0,2]=4 5356 B12R0.1 CC=CCCCOCC(=O)CCC b53f64b2b3e1001e95f568392413defe [0,2,0,0,0,0|0,0,1]=3 5357 B12R0.1 CC=CCCCOCC(=O)COC 5b9339fac39101012e488fd67f542ab9 [0,2,0,0,0,0|1,0,1]=4 5358 B12R0.1 CC=CCCCOCC(=O)NCC b145ecd2a18da02365f56f3e91cb326c [0,2,0,0,0,0|1,0,1]=4 5359 B12R0.1 CC=CCCCOCC(=O)OCC 11b776a15d039a208f4246f6e31ccce7 [0,2,0,0,0,0|1,0,1]=4 5360 B12R0.1 CCC#CCCOCC(=O)CCC b8e82026e5f281b60fb1ada47f500d82 [0,2,0,0,0,0|0,0,1]=3 5361 B12R0.1 CCC#CCCOCC(=O)COC 188beef50a2a998d166a934cde3ddcf1 [0,2,0,0,0,0|1,0,1]=4 5362 B12R0.1 CCC#CCCOCC(=O)NCC 3a9369e3d772dfedcb5bd18e5858257b [0,2,0,0,0,0|1,0,1]=4 5363 B12R0.1 CCC#CCCOCC(=O)OCC 04c2303e1ed0f5a83e456dce682b2300 [0,2,0,0,0,0|1,0,1]=4 5364 B12R0.1 CCC#CCOCOC(=O)CCC b3153492de8edee6b06bc882e627c295 [0,2,0,0,0,0|0,0,1]=3 5365 B12R0.1 CCC#CCOCOC(=O)OCC 82210f8b34bd14c25844531bd9267859 [0,2,0,0,0,0|1,0,1]=4 5366 B12R0.1 CCC#CCOCOC(=O)SCC bbe4c23e8b2beccf87ec123d102d3e86 [0,2,0,0,0,0|1,0,1]=4 5367 B12R0.1 CCC/C=C/COCC(=O)CCC cd90bd9e4cc719528043a4a2821a8e03 [0,2,0,0,0,0|0,0,1]=3 5368 B12R0.1 CCC/C=C/COCC(=O)COC 3bb297a25d42c71231b7e425cf2f9cdc [0,2,0,0,0,0|1,0,1]=4 5369 B12R0.1 CCC/C=C/COCC(=O)NCC 4c4e6d67b0f2d4731948351520b94169 [0,2,0,0,0,0|1,0,1]=4 5370 B12R0.1 CCC/C=C/COCC(=O)OCC 40f92d75798ef5208b812a60ed2cccb2 [0,2,0,0,0,0|1,0,1]=4 5371 B12R0.1 CCC/C=C\CCOC(C)CCC 3e8eb0320d76528dd051739a2baab555 [0,2,0,0,0,0|1,0,1]=4 5372 B12R0.1 CCC/C=C\COCC(=O)CCC 9682ffcaf2963f81e9f6ab9b675efb5a [0,2,0,0,0,0|0,0,1]=3 5373 B12R0.1 CCC/C=C\COCC(=O)COC 3bb40fee6648dde06cd0f6879662a782 [0,2,0,0,0,0|1,0,1]=4 5374 B12R0.1 CCC/C=C\COCC(=O)NCC f370101f272202c0a0e9793d5daff050 [0,2,0,0,0,0|1,0,1]=4 5375 B12R0.1 CCC/C=C\COCC(=O)OCC b1a83b13ff2ea69000dfc22eb839cd73 [0,2,0,0,0,0|1,0,1]=4 5376 B12R0.1 CCCC#CCCOC(C)CCC bed71ec73206c81106ca0c3e07dd0f27 [0,2,0,0,0,0|1,0,1]=4 5377 B12R0.1 CCCC#CCOCC(=O)CCC 46935f3e8b4b0bd447ef04b3d00d6c1c [0,2,0,0,0,0|0,0,1]=3 5378 B12R0.1 CCCC#CCOCC(=O)COC aa5f720e3870f61b7de6d14071f5cd67 [0,2,0,0,0,0|1,0,1]=4 5379 B12R0.1 CCCC#CCOCC(=O)NCC 52b7e28b9abad66875bf6989209d73a0 [0,2,0,0,0,0|1,0,1]=4 5380 B12R0.1 CCCC#CCOCC(=O)OCC 956b23ddd4fdd275df3a1d843652b085 [0,2,0,0,0,0|1,0,1]=4 5381 B12R0.1 CCCC(=O)CNCCCCC#N d2c3477cf104bd15a3abf76e6fce5001 [0,2,0,0,0,0|1,0,1]=4 5382 B12R0.1 CCCC(=O)CNCCCCCCl b337a00bca7601b0fc44896a4dbc9ee0 [0,2,0,0,0,0|1,0,0]=3 5383 B12R0.1 CCCC(=O)CNCCCCCO 7d3c40e47ad0b091b1ec38ca69d448f3 [0,2,0,0,0,0|1,0,0]=3 5384 B12R0.1 CCCC(=O)CNCCCCOC e380fab507c330fe5150bb7fd024844e [0,2,0,0,0,0|1,0,0]=3 5385 B12R0.1 CCCC(=O)CNCCCCSC 60813a01ef04179375655b082adfbe0e [0,2,0,0,0,0|1,0,0]=3 5386 B12R0.1 CCCC(=O)CNCCCOCC cf9fcf9d37635fcff9d531b62f909ca2 [0,2,0,0,0,0|1,0,0]=3 5387 B12R0.1 CCCC(=O)CNCCOCCO bc2e641efe687cc5eb7ffd59b8c6f7cb [0,2,0,0,0,0|2,0,0]=4 5388 B12R0.1 CCCC(=O)CNCCOCCS b87d334b58b096893542900bbf065c49 [0,2,0,0,0,0|2,0,0]=4 5389 B12R0.1 CCCC(=O)CNCCSCCO 09ed199cb1ce328ef680e538e50a0b9f [0,2,0,0,0,0|2,0,0]=4 5390 B12R0.1 CCCC(=O)COCCCCC#N 50e9842c9508261fa6bf8fe5f7c02a45 [0,2,0,0,0,0|0,0,1]=3 5391 B12R0.1 CCCC(=O)COCCCCC=O beee483473efcf814efdf8e12d1f3bc5 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B12R0.1 CCCC(=O)OCOCCOCC b9cc1da9cee06bcdfbccb19868b99cce [0,2,0,0,0,0|0,0,0]=2 5439 B12R0.1 CCCC(=O)OCOCCSCC e43e69fe0963c529ab4e3450c77fc2f5 [0,2,0,0,0,0|0,0,0]=2 5440 B12R0.1 CCCC(=S)OCCCCCC#N af50f3686d6e7db4672aa590fe5151bf [0,2,0,0,0,0|0,1,0]=3 5441 B12R0.1 CCCC(=S)OCCCCCC=O d0c8655e54388cc2eab73b3485db4342 [0,2,0,0,0,0|0,1,0]=3 5442 B12R0.1 CCCC(=S)OCCCCCCF 26a5b5e2ad767fb2f8b89578f5bd2d90 [0,2,0,0,0,0|0,1,0]=3 5443 B12R0.1 CCCC(=S)OCCCCCOC 15f328b4ee1d340085dd8b9b78b3c088 [0,2,0,0,0,0|0,1,0]=3 5444 B12R0.1 CCCC(=S)OCCOCCOC e6b3216fe437f9e658659ad4f6fe0540 [0,2,0,0,0,0|0,1,0]=3 5445 B12R0.1 CCCC(C)COCCCCCF e54188b29442004eceeafd2ed13cd765 [0,2,0,0,0,0|1,0,1]=4 5446 B12R0.1 CCCC(C)COCCCCOC 7d1d1c100f39f3aba854f42686c78a79 [0,2,0,0,0,0|1,0,1]=4 5447 B12R0.1 CCCC(C)COCCCCSC 3d609a9cf8fb75e7a55ce7e03615695a [0,2,0,0,0,0|1,0,1]=4 5448 B12R0.1 CCCC(C)COCCCOCC 8ec9350976780f91aa6f6e563009bf9f [0,2,0,0,0,0|1,0,1]=4 5449 B12R0.1 CCCC(C)COCCCSCC 24f53339fe74f7215760c473c9e5d768 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CCCC/C=C\COC(C)CCC b056eb4d5a9dd23a96e92a07d69144e5 [0,2,0,0,0,0|1,0,1]=4 5462 B12R0.1 CCCC/C=C\CO[C@@H](C)CCC ef5386e2124450e8ddc2cc88cee3e4c5 [0,2,0,0,0,0|1,0,1]=4 5463 B12R0.1 CCCC/C=C\CO[C@H](C)CCC b87ec3f6f369749cedfa34897677ec99 [0,2,0,0,0,0|1,0,1]=4 5464 B12R0.1 CCCCC#CCOC(=S)CCC 5a95811aad9e02e6b320c9ee152a9b5e [0,2,0,0,0,0|0,1,0]=3 5465 B12R0.1 CCCCC#CCOC(C)CCC f313daed7b339a3aee715bd58d193379 [0,2,0,0,0,0|1,0,1]=4 5466 B12R0.1 CCCCCCCNC(=O)CCC cc2f9bb62ae47c3d56fe2447919a6820 [0,2,0,0,0,0|1,0,0]=3 5467 B12R0.1 CCCCCCCNC(=O)CCF fa0b05635b6bfb27486c6422091cb933 [0,2,0,0,0,0|2,0,0]=4 5468 B12R0.1 CCCCCCCNC(=O)CCO 343037cb27d2431bfada229e8eb220ca [0,2,0,0,0,0|2,0,0]=4 5469 B12R0.1 CCCCCCCNC(=O)CCS e56e6d944e0a2c16d5f7d697345a11f7 [0,2,0,0,0,0|2,0,0]=4 5470 B12R0.1 CCCCCCCNC(=O)COC 193e0da5b2923750db7cb40f6b96f198 [0,2,0,0,0,0|2,0,0]=4 5471 B12R0.1 CCCCCCCNC(=O)CSC 7a958c47d32a819174cd82af4a8b4478 [0,2,0,0,0,0|2,0,0]=4 5472 B12R0.1 CCCCCCCOC(=S)CCC 17e54af622772a12df7cd6ce21f2e4c6 [0,2,0,0,0,0|0,1,0]=3 5473 B12R0.1 CCCCCCCOC(C)CCC c93c340fa9b21c9a2f4415355265f209 [0,2,0,0,0,0|1,0,1]=4 5474 B12R0.1 CCCCCCCO[C@@H](C)CCC 483c587a55edba7c5e3e03595ff495d4 [0,2,0,0,0,0|1,0,1]=4 5475 B12R0.1 CCCCCCCO[C@H](C)CCC 0d47af9aad98592c950df7ee55dcfa58 [0,2,0,0,0,0|1,0,1]=4 5476 B12R0.1 CCCCCCNCC(=O)CCC f47dda3d1f83759950f26c4f3e9b6cda [0,2,0,0,0,0|1,0,0]=3 5477 B12R0.1 CCCCCCNCC(=O)COC fdaf82dcdc1091c41ce15fe821b1dfd3 [0,2,0,0,0,0|2,0,0]=4 5478 B12R0.1 CCCCCCNCC(=O)NCC 9289ae5a2cd52bef677cbf2896aad3e1 [0,2,0,0,0,0|2,0,0]=4 5479 B12R0.1 CCCCCCNCC(=O)OCC 6be77b6d291e5bcb1b5ee543218d2829 [0,2,0,0,0,0|2,0,0]=4 5480 B12R0.1 CCCCCCOCC(=O)CCC a26767bbedda544e6a69ee985b0c3dee [0,2,0,0,0,0|0,0,0]=2 5481 B12R0.1 CCCCCCOCC(=O)COC e8fe61cc4918a2434916dd7e928678a8 [0,2,0,0,0,0|1,0,0]=3 5482 B12R0.1 CCCCCCOCC(=O)NCC b3fb8ad45dd10df9af353f6793a9e4c8 [0,2,0,0,0,0|1,0,0]=3 5483 B12R0.1 CCCCCCOCC(=O)OCC bbe6630c73c21fc02210547f28d8da58 [0,2,0,0,0,0|1,0,0]=3 5484 B12R0.1 CCCCCCOCC(C)CCC fa836dd59297807dc89454f7176f2f06 [0,2,0,0,0,0|1,0,1]=4 5485 B12R0.1 CCCCCNCCC(=O)NCC 840cb981c464203bed8cd4d8bd5a75b9 [0,2,0,0,0,0|2,0,0]=4 5486 B12R0.1 CCCCCNCCC(=O)OCC ccfebc809b095b1cf38f2ca180de6861 [0,2,0,0,0,0|2,0,0]=4 5487 B12R0.1 CCCCCNCOC(=O)CCC 9334475517dd42d0f2b4beac50644a12 [0,2,0,0,0,0|0,0,0]=2 5488 B12R0.1 CCCCCNCOC(=O)OCC 68c2ca21685c705ec33c7083f32cd13e [0,2,0,0,0,0|1,0,0]=3 5489 B12R0.1 CCCCCNCOC(=O)SCC 05c12a560a25fd0b874a1c3ebf0724db [0,2,0,0,0,0|1,0,0]=3 5490 B12R0.1 CCCCCOCCC(=O)NCC 8d86d4085f1914474d4def8476302536 [0,2,0,0,0,0|1,0,0]=3 5491 B12R0.1 CCCCCOCCC(=O)OCC 0e8d283a882f47cc8cf67da5cc42052f [0,2,0,0,0,0|1,0,0]=3 5492 B12R0.1 CCCCCOCCC(C)CCC 515407ed97ae70bdb653bafa38ba100b [0,2,0,0,0,0|1,0,1]=4 5493 B12R0.1 CCCCCOCCC(S)CCC 19c3ca02a7f227355ee2ba82c8917787 [0,2,0,0,0,0|0,1,1]=4 5494 B12R0.1 CCCCCOCOC(=O)CCC f17ce93b5ea3cb9a96eaeded1be5f6c2 [0,2,0,0,0,0|0,0,0]=2 5495 B12R0.1 CCCCCOCOC(=O)OCC 69d9cd494ae71bfbe851f78311fd2ef7 [0,2,0,0,0,0|1,0,0]=3 5496 B12R0.1 CCCCCOCOC(=O)SCC ed6d123eb2b3fb5535f55c0e9e05498f [0,2,0,0,0,0|1,0,0]=3 5497 B12R0.1 CCCCNC/C=C/C(=O)OCC 1ed5449023ba030743a3ae056eca355b [0,2,0,0,0,0|2,0,0]=4 5498 B12R0.1 CCCCNCC=CC(=O)OCC dc25e93e632bd5eebd16694cb89d7b9d [0,2,0,0,0,0|2,0,0]=4 5499 B12R0.1 CCCCNCCCC(=O)OCC 8b28206bbb47bf0a96f03d9b954c92cc [0,2,0,0,0,0|2,0,0]=4 5500 B12R0.1 CCCCOC/C=C/C(=O)OCC e181cd6e2cd1be5c79bb3d0735422fe2 [0,2,0,0,0,0|2,0,0]=4 5501 B12R0.1 CCCCOCC#CC(=O)OCC db21299404520e568d0a62d2caca2057 [0,2,0,0,0,0|2,0,0]=4 5502 B12R0.1 CCCCOCC=CC(=O)OCC a47918836e21ce5e28774d557ccd72ac [0,2,0,0,0,0|2,0,0]=4 5503 B12R0.1 CCCCOCCCC(=O)OCC 911ef1f6024850e2650d76a8173e5556 [0,2,0,0,0,0|2,0,0]=4 5504 B12R0.1 CCCCOCCNC(=O)CCC 03e9fca15998d25ee309292e7b99fbef [0,2,0,0,0,0|1,0,0]=3 5505 B12R0.1 CCCCOCCNC(=O)CCF 7efa3c026e984ce98588726f69b91cd7 [0,2,0,0,0,0|2,0,0]=4 5506 B12R0.1 CCCCOCCNC(=O)CCO 58d7c66de8e0ffedd6b2b5988f93e74c [0,2,0,0,0,0|2,0,0]=4 5507 B12R0.1 CCCCOCCNC(=O)CCS 7b063c5a8da9170ee6c43669ee6fff1f [0,2,0,0,0,0|2,0,0]=4 5508 B12R0.1 CCCCOCCNC(=O)COC 78670faf01e91a127ed9c62498b397c9 [0,2,0,0,0,0|2,0,0]=4 5509 B12R0.1 CCCCOCCNC(=O)CSC 2741ef89b544e13a281543875cda93ed [0,2,0,0,0,0|2,0,0]=4 5510 B12R0.1 CCCCOCCOC(=O)CCC ec841e2f1f3644fc6b2f71dcf7762c2f [0,2,0,0,0,0|0,0,0]=2 5511 B12R0.1 CCCCOCCOC(=S)CCC 009849dcaf535ca43f0e822d9d8627b7 [0,2,0,0,0,0|0,1,0]=3 5512 B12R0.1 CCCCOCCOC(C)CCC caa43a102da2fa0bfd4bc6153380d5f4 [0,2,0,0,0,0|1,0,1]=4 5513 B12R0.1 CCCCOCCO[C@@H](C)CCC 5ca496675363d2123fdcac7df7923572 [0,2,0,0,0,0|1,0,1]=4 5514 B12R0.1 CCCCOCCO[C@H](C)CCC 5a68a2d7b6b0822e4dbfee934868a474 [0,2,0,0,0,0|1,0,1]=4 5515 B12R0.1 CCCCOCNCC(=O)NCC 0abb56671badb06dd4d3c8f49faf4fe4 [0,2,0,0,0,0|2,0,0]=4 5516 B12R0.1 CCCCOCNCC(=O)OCC faabb817975ddf6641c6b9f6c190b083 [0,2,0,0,0,0|2,0,0]=4 5517 B12R0.1 CCCCOCOCC(=O)NCC 4f0dc8c3e0ee190ec538f2e54e4cd879 [0,2,0,0,0,0|1,0,0]=3 5518 B12R0.1 CCCCOCOCC(=O)OCC 935958810e74725b96744c4ceee01b4a [0,2,0,0,0,0|1,0,0]=3 5519 B12R0.1 CCCCOCOCC(C)CCC 2ca7b043b997556d89ba416b94950141 [0,2,0,0,0,0|1,0,1]=4 5520 B12R0.1 CCCCSCCOC(C)CCC 9d3c2d58955e80535c02677598cfdcae [0,2,0,0,0,0|1,0,1]=4 5521 B12R0.1 CCCNCCC=CC(=O)OCC 9cfa1e2cb2a6dd48c725806d070b04e3 [0,2,0,0,0,0|2,0,0]=4 5522 B12R0.1 CCCNCCCCC(=O)OCC af859276231b6944d66e75bb032a0322 [0,2,0,0,0,0|2,0,0]=4 5523 B12R0.1 CCCOCC/C=C/C(=O)OCC 2303bf326aa3f733f62fc47186ae09c4 [0,2,0,0,0,0|2,0,0]=4 5524 B12R0.1 CCCOCCC=CC(=O)OCC ee774255ff7f32f7caf1532cbc9ee9ea [0,2,0,0,0,0|2,0,0]=4 5525 B12R0.1 CCCOCCCCC(=O)OCC 51d78253f7b52ee9e7147bf25348aaba [0,2,0,0,0,0|2,0,0]=4 5526 B12R0.1 CCCOCCCNC(=O)CCC 1e4c263021769b0809a50dbe037e3af0 [0,2,0,0,0,0|1,0,0]=3 5527 B12R0.1 CCCOCCCNC(=O)CCF 1bff84d004590f1772077e3225c7f030 [0,2,0,0,0,0|2,0,0]=4 5528 B12R0.1 CCCOCCCNC(=O)CCO 864cd4e100d0aab1df4fcd6ad39a71b2 [0,2,0,0,0,0|2,0,0]=4 5529 B12R0.1 CCCOCCCNC(=O)CCS d28f37d4b1a677326e23f8b6df0f7be1 [0,2,0,0,0,0|2,0,0]=4 5530 B12R0.1 CCCOCCCNC(=O)COC cb2a1424fb6e69d125e95d1bd75229df [0,2,0,0,0,0|2,0,0]=4 5531 B12R0.1 CCCOCCCNC(=O)CSC ffe33af887571b4b8bbcf3f33d99cca1 [0,2,0,0,0,0|2,0,0]=4 5532 B12R0.1 CCCOCCCOC(=S)CCC 7bfaad3d7e43e461e37370bb2faa5c28 [0,2,0,0,0,0|0,1,0]=3 5533 B12R0.1 CCCOCCCOC(C)CCC a72230ad0379771aa2c03b744fd1a3f4 [0,2,0,0,0,0|1,0,1]=4 5534 B12R0.1 CCCOCCCO[C@@H](C)CCC b1c0fb43f1a7c3e20409d07fca1c8367 [0,2,0,0,0,0|1,0,1]=4 5535 B12R0.1 CCCOCCCO[C@H](C)CCC 9cc3765492e1c5abac35c859a5882b65 [0,2,0,0,0,0|1,0,1]=4 5536 B12R0.1 CCCOCCNCC(=O)CCC 7ab7539aa342766ce6ea51f6743cf512 [0,2,0,0,0,0|1,0,0]=3 5537 B12R0.1 CCCOCCNCC(=O)COC 9b464853d5b9bc1c552f074c1ae22247 [0,2,0,0,0,0|2,0,0]=4 5538 B12R0.1 CCCOCCNCC(=O)NCC bf0ab14b17623939c9ebdfa62eaa2d5d [0,2,0,0,0,0|2,0,0]=4 5539 B12R0.1 CCCOCCNCC(=O)OCC 239aff86a3253f4e92984b6924e8935e [0,2,0,0,0,0|2,0,0]=4 5540 B12R0.1 CCCOCCOCC(=O)CCC 8d1b44f9c949b638e8f1b95510f109d5 [0,2,0,0,0,0|0,0,0]=2 5541 B12R0.1 CCCOCCOCC(=O)COC 8aa1a8445662292885a5e7701f1c8aaa [0,2,0,0,0,0|1,0,0]=3 5542 B12R0.1 CCCOCCOCC(=O)NCC 7cbce38fa9146ad332aa7f526271eb12 [0,2,0,0,0,0|1,0,0]=3 5543 B12R0.1 CCCOCCOCC(=O)OCC e956761b010e3123844814131e112ba1 [0,2,0,0,0,0|1,0,0]=3 5544 B12R0.1 CCCOCCOCC(C)CCC 6a54bd22ced98a482c834c6b8c236a65 [0,2,0,0,0,0|1,0,1]=4 5545 B12R0.1 CCCSCCOCC(=O)CCC 4b4ffe88268892e120ab14ac3bb5a682 [0,2,0,0,0,0|0,0,0]=2 5546 B12R0.1 CCCSCCOCC(=O)COC 7c182db9c19d397159abdbf53a9a3da7 [0,2,0,0,0,0|1,0,0]=3 5547 B12R0.1 CCCSCCOCC(=O)NCC 5e796b86b04124487836ef1505c77cbd [0,2,0,0,0,0|1,0,0]=3 5548 B12R0.1 CCCSCCOCC(=O)OCC 7dc809704e5077e6bd03885f18e6a5e7 [0,2,0,0,0,0|1,0,0]=3 5549 B12R0.1 CCCSCCOCC(C)CCC 0f38ee60d65cbfc7082d8619f50e3682 [0,2,0,0,0,0|1,0,1]=4 5550 B12R0.1 CCC[C@@H](C)OCCCCCC#N cf9c25421651378ed11f2dcf5622e083 [0,2,0,0,0,0|1,0,1]=4 5551 B12R0.1 CCC[C@@H](C)OCCCCCC=O f770c8eb3aa45310790cd017216e2c2b [0,2,0,0,0,0|1,0,1]=4 5552 B12R0.1 CCC[C@@H](C)OCCCCCCF 73f9e3cb11e58a72a05b21528f02d3cf [0,2,0,0,0,0|1,0,1]=4 5553 B12R0.1 CCC[C@@H](C)OCCCCCOC 55a29f1ba9a0db3b9df4b29a5fa4cb4d [0,2,0,0,0,0|1,0,1]=4 5554 B12R0.1 CCC[C@@H](C)OCCOCCOC e479e7b4c991e1a415ce31fb0c04852e [0,2,0,0,0,0|1,0,1]=4 5555 B12R0.1 CCC[C@H](C)OCCCCCC#N c063771324c3b7a343e28d0e581916a3 [0,2,0,0,0,0|1,0,1]=4 5556 B12R0.1 CCC[C@H](C)OCCCCCC=O de386838f6c321df5487df4d619ca3f3 [0,2,0,0,0,0|1,0,1]=4 5557 B12R0.1 CCC[C@H](C)OCCCCCCF 4ab5ce540c26f5580bb72fd91f35c0c9 [0,2,0,0,0,0|1,0,1]=4 5558 B12R0.1 CCC[C@H](C)OCCCCCOC bd777b74b05484127bf9c2a6f7239667 [0,2,0,0,0,0|1,0,1]=4 5559 B12R0.1 CCC[C@H](C)OCCOCCOC 3c67f3640a29f6cef867afe8139fd2e9 [0,2,0,0,0,0|1,0,1]=4 5560 B12R0.1 CCNC(=O)CCNCCCCCl be292d2ecdad4305bdc82227712bf9a3 [0,2,0,0,0,0|2,0,0]=4 5561 B12R0.1 CCNC(=O)CCNCCCCO 535b8119b5264e36a731eb0ef4a7718b [0,2,0,0,0,0|2,0,0]=4 5562 B12R0.1 CCNC(=O)CCNCCCCS bd89eebdc8f2531b1c3014f129c78da9 [0,2,0,0,0,0|2,0,0]=4 5563 B12R0.1 CCNC(=O)CCNCCCOC 341a462608797c038366ee417073a2ca [0,2,0,0,0,0|2,0,0]=4 5564 B12R0.1 CCNC(=O)CCNCCCSC 7c2cb20b59adae5ca38e0cdcb06b8b31 [0,2,0,0,0,0|2,0,0]=4 5565 B12R0.1 CCNC(=O)CCNCCOCC 5d28aa0b0355b7dc25d82cd4bf2dcd52 [0,2,0,0,0,0|2,0,0]=4 5566 B12R0.1 CCNC(=O)CCNCCSCC 155aebf67e3440ffffddaa0059f0c0a6 [0,2,0,0,0,0|2,0,0]=4 5567 B12R0.1 CCNC(=O)CCOCCCCF 7758b300a8dc63e72e1be815e4d0fcdd [0,2,0,0,0,0|2,0,0]=4 5568 B12R0.1 CCNC(=O)CCOCCCCS a41f4161f798e71d5c28403ef9a43480 [0,2,0,0,0,0|2,0,0]=4 5569 B12R0.1 CCNC(=O)CCOCCCOC c20853eefc7b5885ed125b4aff2f1ebf [0,2,0,0,0,0|2,0,0]=4 5570 B12R0.1 CCNC(=O)CCOCCCSC 7545d2c27ad92372a3b8e364cb6025c4 [0,2,0,0,0,0|2,0,0]=4 5571 B12R0.1 CCNC(=O)CCOCCOCC a73d0cda05d4bb973d81fb08c30a9f22 [0,2,0,0,0,0|2,0,0]=4 5572 B12R0.1 CCNC(=O)CCOCCSCC 5a7d54c0753d226d72c48250185755fe [0,2,0,0,0,0|2,0,0]=4 5573 B12R0.1 CCNC(=O)CNCCCCCCl b0c9a0e284304049fa4e04eb8230ef73 [0,2,0,0,0,0|2,0,0]=4 5574 B12R0.1 CCNC(=O)CNCCCCCF 86f627a5b434a25b12605aa70c0e3d8b [0,2,0,0,0,0|2,0,0]=4 5575 B12R0.1 CCNC(=O)CNCCCCCO 31191d9c0a5dad3004b939c0f453022d [0,2,0,0,0,0|2,0,0]=4 5576 B12R0.1 CCNC(=O)CNCCCCOC 0c4c15a6f7d75513cebf7659f70b0593 [0,2,0,0,0,0|2,0,0]=4 5577 B12R0.1 CCNC(=O)CNCCCCSC 5850c0986c0affe68d4d33e4f05f52ed [0,2,0,0,0,0|2,0,0]=4 5578 B12R0.1 CCNC(=O)CNCCCOCC 7e73cd488b16e4dfd489eff482c5f63f [0,2,0,0,0,0|2,0,0]=4 5579 B12R0.1 CCNC(=O)CNCCCSCC 91eee39d6870b10e0bb84a45b3d19b75 [0,2,0,0,0,0|2,0,0]=4 5580 B12R0.1 CCNC(=O)COCCCCC#N b5e647ad439a68dbc7c1d7926b55ddd7 [0,2,0,0,0,0|1,0,1]=4 5581 B12R0.1 CCNC(=O)COCCCCC=O ec274109c8c393a19c7ed1a2797e6445 [0,2,0,0,0,0|1,0,1]=4 5582 B12R0.1 CCNC(=O)COCCCCCF 609b3c5af59cc90b23f9aeb18d94df6a [0,2,0,0,0,0|1,0,0]=3 5583 B12R0.1 CCNC(=O)COCCCCOC 0b87d37a63838c1abb2f7d58fb108115 [0,2,0,0,0,0|1,0,0]=3 5584 B12R0.1 CCNC(=O)COCCCCSC 6e07c1e16a8d3bf726ff8274fbd42547 [0,2,0,0,0,0|1,0,0]=3 5585 B12R0.1 CCNC(=O)COCCCOCC d4a864bc2c0489bc98237b5e00175671 [0,2,0,0,0,0|1,0,0]=3 5586 B12R0.1 CCNC(=O)COCCCSCC 5eb2127228c39061dbfe765affd1a332 [0,2,0,0,0,0|1,0,0]=3 5587 B12R0.1 CCNC(=O)COCCOCCF 073ea8580f59ceaf60c510ec9bb96a29 [0,2,0,0,0,0|2,0,0]=4 5588 B12R0.1 CCNC(=O)COCCOCCS c16df1e4da48449d5532d8b982fc67d9 [0,2,0,0,0,0|2,0,0]=4 5589 B12R0.1 CCNC(=O)COCCOCOC e8516a7cc8e3af91aa311a1422125e4f [0,2,0,0,0,0|2,0,0]=4 5590 B12R0.1 CCNC(=O)COCOCCOC 3f84b3edde23f53f30b7a5190e1cce1b [0,2,0,0,0,0|2,0,0]=4 5591 B12R0.1 CCNCCCCCC(=O)OCC 3082b4e9c515f8b8be859ad9fb770d19 [0,2,0,0,0,0|2,0,0]=4 5592 B12R0.1 CCOC(=O)CCCCCNCF ba6f612648ba056af608fe0a21b1632d [0,2,0,0,0,0|2,0,0]=4 5593 B12R0.1 CCOC(=O)CCCCCNCO 24f9ca6ece66f0b514a54f7e9cc315e8 [0,2,0,0,0,0|2,0,0]=4 5594 B12R0.1 CCOC(=O)CCCCCOCF 59a655741bc7913732403f67441ea509 [0,2,0,0,0,0|2,0,0]=4 5595 B12R0.1 CCOC(=O)CCCCNCCBr 14e81dd3beb27448f5dc6326369c213e [0,2,0,0,0,0|2,0,0]=4 5596 B12R0.1 CCOC(=O)CCCCNCCF 137d396dbbfdb236ba4d316c1b5efbb0 [0,2,0,0,0,0|2,0,0]=4 5597 B12R0.1 CCOC(=O)CCCCNCCI 97469321cefc5279b0a75940b65c0c08 [0,2,0,0,0,0|2,0,0]=4 5598 B12R0.1 CCOC(=O)CCCCNCCO 963b0639353f6c2e99c364f52f712f4d [0,2,0,0,0,0|2,0,0]=4 5599 B12R0.1 CCOC(=O)CCCCNCCS bf8e4c5b716d48ee5dbf15e7ac01d275 [0,2,0,0,0,0|2,0,0]=4 5600 B12R0.1 CCOC(=O)CCCCOCCF 628f1e3ffc6ef8f7b017b0bfc71e180a [0,2,0,0,0,0|2,0,0]=4 5601 B12R0.1 CCOC(=O)CCCCOCCS 0426b046f0bebc7ec8c25d0d59b0c9e3 [0,2,0,0,0,0|2,0,0]=4 5602 B12R0.1 CCOC(=O)CCCCOCOC d1741bfc5ca4ec701ca972d056ab900e [0,2,0,0,0,0|2,0,0]=4 5603 B12R0.1 CCOC(=O)CCCCOCSC 64ba404aac424987a6818f81740713d5 [0,2,0,0,0,0|2,0,0]=4 5604 B12R0.1 CCOC(=O)CCCNCCCCl 4da0f363567b9d5d949540cb71c9a524 [0,2,0,0,0,0|2,0,0]=4 5605 B12R0.1 CCOC(=O)CCCNCCCF b5ba79fdda640fe2d229f2d7d520ad6b [0,2,0,0,0,0|2,0,0]=4 5606 B12R0.1 CCOC(=O)CCCNCCCO db75a98308594ff273bdaab88b0dbed4 [0,2,0,0,0,0|2,0,0]=4 5607 B12R0.1 CCOC(=O)CCCNCCCS a8fc30d661532e3cfb441c70832ceb16 [0,2,0,0,0,0|2,0,0]=4 5608 B12R0.1 CCOC(=O)CCCNCCOC 742a2c291c9ded371921155d7907975d [0,2,0,0,0,0|2,0,0]=4 5609 B12R0.1 CCOC(=O)CCCNCCSC 8d10a5defa1aa962c26583ec04afcaa6 [0,2,0,0,0,0|2,0,0]=4 5610 B12R0.1 CCOC(=O)CCCOCCCF 18055ed7b12edc2c59bcc3a1b2c4e39c [0,2,0,0,0,0|2,0,0]=4 5611 B12R0.1 CCOC(=O)CCCOCCCS 06a73bfdffca91f9d2ddcaba97c65005 [0,2,0,0,0,0|2,0,0]=4 5612 B12R0.1 CCOC(=O)CCCOCCOC c6bbb3af434e4932405a90a539d6fd1e [0,2,0,0,0,0|2,0,0]=4 5613 B12R0.1 CCOC(=O)CCCOCCSC b467d2b72cbc91d5af563aefef89a648 [0,2,0,0,0,0|2,0,0]=4 5614 B12R0.1 CCOC(=O)CCNCCCCCl c3311d4350fcca484d570e9b287bcab5 [0,2,0,0,0,0|2,0,0]=4 5615 B12R0.1 CCOC(=O)CCNCCCCF 84547be09984c757c2999860ca1d7f80 [0,2,0,0,0,0|2,0,0]=4 5616 B12R0.1 CCOC(=O)CCNCCCCO ce10b74606326ca3232dba04136055cd [0,2,0,0,0,0|2,0,0]=4 5617 B12R0.1 CCOC(=O)CCNCCCCS 309ed5e4f8b052b29519287bce16ad4d [0,2,0,0,0,0|2,0,0]=4 5618 B12R0.1 CCOC(=O)CCNCCCOC cddfa6eaed1f4542ae53de7c8fe17148 [0,2,0,0,0,0|2,0,0]=4 5619 B12R0.1 CCOC(=O)CCNCCCSC b60e5dad4270b46a924f334f985b9d67 [0,2,0,0,0,0|2,0,0]=4 5620 B12R0.1 CCOC(=O)CCNCCSCC 45ea25a69ece60084e374dcee8623347 [0,2,0,0,0,0|2,0,0]=4 5621 B12R0.1 CCOC(=O)CCOCCCCF 845b9f4baad220d649650cb6ef4122d8 [0,2,0,0,0,0|2,0,0]=4 5622 B12R0.1 CCOC(=O)CCOCCCCS 0a678323e56139b45f25ecdacb30ea27 [0,2,0,0,0,0|2,0,0]=4 5623 B12R0.1 CCOC(=O)CCOCCCOC 1c379ce02e6ffb355bfc63c8a50f9154 [0,2,0,0,0,0|2,0,0]=4 5624 B12R0.1 CCOC(=O)CCOCCCSC eefce61021aa13c0e72f9dfb18c21fef [0,2,0,0,0,0|2,0,0]=4 5625 B12R0.1 CCOC(=O)CCOCCSCC cab2b12e6ec141bfa9b15b8597080856 [0,2,0,0,0,0|2,0,0]=4 5626 B12R0.1 CCOC(=O)CNCCCCCCl 58e161da4ecc780d2991740be8c089d5 [0,2,0,0,0,0|2,0,0]=4 5627 B12R0.1 CCOC(=O)CNCCCCCF d29011e4a1e166877af4f961a4f2490a [0,2,0,0,0,0|2,0,0]=4 5628 B12R0.1 CCOC(=O)CNCCCCCO 9aa3e90fe522eccc11acb2dcce0f12a4 [0,2,0,0,0,0|2,0,0]=4 5629 B12R0.1 CCOC(=O)CNCCCCOC 20b52f33ea51a932ab9c35f8dddd54bc [0,2,0,0,0,0|2,0,0]=4 5630 B12R0.1 CCOC(=O)CNCCCCSC 3aa87d0193ec4066a857561ba6181c9f [0,2,0,0,0,0|2,0,0]=4 5631 B12R0.1 CCOC(=O)CNCCCSCC c696b86d2cc68efa4569836d55494198 [0,2,0,0,0,0|2,0,0]=4 5632 B12R0.1 CCOC(=O)COCCCCC#N 9b94b57a424ec90f37d93a90dd18fce7 [0,2,0,0,0,0|1,0,1]=4 5633 B12R0.1 CCOC(=O)COCCCCC=O 8bbea6e9d9b52cb43a4bbf3454a822f3 [0,2,0,0,0,0|1,0,1]=4 5634 B12R0.1 CCOC(=O)COCCCCCF 50c7fa072831b49b3af2edaf08d4c8a4 [0,2,0,0,0,0|1,0,0]=3 5635 B12R0.1 CCOC(=O)COCCCCOC 4ccc51ace4bb9ca789adb9a045234d9f [0,2,0,0,0,0|1,0,0]=3 5636 B12R0.1 CCOC(=O)COCCCCSC 2e64cc00939356121bac05eacf564071 [0,2,0,0,0,0|1,0,0]=3 5637 B12R0.1 CCOC(=O)COCCCOCF 84446ccedd23795e1de4307a4afcf7cc [0,2,0,0,0,0|2,0,0]=4 5638 B12R0.1 CCOC(=O)COCCCSCC b54712bbae2dd3901cfa3d61585de9c0 [0,2,0,0,0,0|1,0,0]=3 5639 B12R0.1 CCOC(=O)COCCNCCO 997edcca6e3ccfdef9f028d09b995c2c [0,2,0,0,0,0|2,0,0]=4 5640 B12R0.1 CCOC(=O)COCCOCCF 68075739e37f3fd2c6277ad2216a38e5 [0,2,0,0,0,0|2,0,0]=4 5641 B12R0.1 CCOC(=O)COCCOCCS fbe313b70c01b196b658388546fe3c68 [0,2,0,0,0,0|2,0,0]=4 5642 B12R0.1 CCOC(=O)COCCOCOC 6e018e414c6889494100d423b104c9e2 [0,2,0,0,0,0|2,0,0]=4 5643 B12R0.1 CCOC(=O)COCOCCOC 4a68b6103a15e51b8352433c103e0b87 [0,2,0,0,0,0|2,0,0]=4 5644 B12R0.1 CCOC(=O)OCNCCCC#N a089af0c3eddb20551fc085bfb9402dd [0,2,0,0,0,0|1,0,1]=4 5645 B12R0.1 CCOC(=O)OCNCCCCCl 3a920f8ab2eddd197f4faa2b32f26dbf [0,2,0,0,0,0|1,0,0]=3 5646 B12R0.1 CCOC(=O)OCNCCCCO f0ea7cfcda691dbfc1d7888fe5414e18 [0,2,0,0,0,0|1,0,0]=3 5647 B12R0.1 CCOC(=O)OCNCCCCS d56373518cfa687967407c254a5ccca0 [0,2,0,0,0,0|1,0,0]=3 5648 B12R0.1 CCOC(=O)OCNCCCOC b0b7961adec41311924032a7b3481284 [0,2,0,0,0,0|1,0,0]=3 5649 B12R0.1 CCOC(=O)OCNCCCSC b83d4350ae8dc272a827b0f5ba2b7320 [0,2,0,0,0,0|1,0,0]=3 5650 B12R0.1 CCOC(=O)OCNCCSCC 0e25cbb7ba09485f8607863c2ed9a533 [0,2,0,0,0,0|1,0,0]=3 5651 B12R0.1 CCOC(=O)OCOCCCC#N 6444a8384aae9be02daa20b83e99ab2d [0,2,0,0,0,0|1,0,1]=4 5652 B12R0.1 CCOC(=O)OCOCCCC=O ec7cbcf45c42ff52aef7e2befde69a24 [0,2,0,0,0,0|1,0,1]=4 5653 B12R0.1 CCOC(=O)OCOCCCCF 52bb8465c88e38eb0c8f3300b14e4aaf [0,2,0,0,0,0|1,0,0]=3 5654 B12R0.1 CCOC(=O)OCOCCCCS c0b78b0bf39beb3239789c081676ec3d [0,2,0,0,0,0|1,0,0]=3 5655 B12R0.1 CCOC(=O)OCOCCCOC 10584f20f37ae0dfb1af513c9c7aeef4 [0,2,0,0,0,0|1,0,0]=3 5656 B12R0.1 CCOC(=O)OCOCCCSC 8d04cdafb386604df3e6e9259d6c5a0a [0,2,0,0,0,0|1,0,0]=3 5657 B12R0.1 CCOC(=O)OCOCCSCC 9a2c5ce33259a8b325641623c4a4a34b [0,2,0,0,0,0|1,0,0]=3 5658 B12R0.1 CCOCCCCCC(=O)OCC 776de740a04afd55ce4174c29edf7765 [0,2,0,0,0,0|2,0,0]=4 5659 B12R0.1 CCOCCCNCC(=O)COC 860662edf4a972d3b31d01156b7bc332 [0,2,0,0,0,0|2,0,0]=4 5660 B12R0.1 CCOCCCNCC(=O)OCC c1cce805d15c27205b56cf9d1768e34b [0,2,0,0,0,0|2,0,0]=4 5661 B12R0.1 CCOCCCOCC(=O)COC 47bc5ccd3420fa54e86f9cd5fd1e695c [0,2,0,0,0,0|1,0,0]=3 5662 B12R0.1 CCOCCCOCC(=O)OCC 5076ceeeee32075b701b383adc26b88e [0,2,0,0,0,0|1,0,0]=3 5663 B12R0.1 CCOCCNCCC(=O)OCC f63ffb81404f94de545495c6d9ed8dd6 [0,2,0,0,0,0|2,0,0]=4 5664 B12R0.1 CCOCCNCOC(=O)OCC ed49ebd14f923e39bb45a52e1425391e [0,2,0,0,0,0|1,0,0]=3 5665 B12R0.1 CCOCCNCOC(=O)SCC bf0116d7d2696d3590ab54a4ba4fc9ed [0,2,0,0,0,0|1,0,0]=3 5666 B12R0.1 CCOCCOCCC(=O)OCC c7c642be170a8266bf63a56d6c7a2bc0 [0,2,0,0,0,0|2,0,0]=4 5667 B12R0.1 CCOCCOCOC(=O)OCC 3c3895f7c997d4feef6685eda3cec1af [0,2,0,0,0,0|1,0,0]=3 5668 B12R0.1 CCOCCOCOC(=O)SCC 2cabfe740a4d08dba824eb271bf72792 [0,2,0,0,0,0|1,0,0]=3 5669 B12R0.1 CCOCNCCCC(=O)OCC 03cc6946affb3504dc527247dade522d [0,2,0,0,0,0|2,0,0]=4 5670 B12R0.1 CCSC(=O)OCNCCCC#N e606e7a382061172ce1dd208aab69084 [0,2,0,0,0,0|1,0,1]=4 5671 B12R0.1 CCSC(=O)OCNCCCCCl 2734f9d758485254683da8aeccf96912 [0,2,0,0,0,0|1,0,0]=3 5672 B12R0.1 CCSC(=O)OCNCCCCO fe88812265222d00d2ff0d2d8806cf1e [0,2,0,0,0,0|1,0,0]=3 5673 B12R0.1 CCSC(=O)OCNCCCCS 345687864891f15b8fa96e029ab7a2ed [0,2,0,0,0,0|1,0,0]=3 5674 B12R0.1 CCSC(=O)OCNCCCOC f5a3cc1ec14fac22fea6584dfe696eb1 [0,2,0,0,0,0|1,0,0]=3 5675 B12R0.1 CCSC(=O)OCNCCCSC 71dac8f5337036cd5a167f408c84740a [0,2,0,0,0,0|1,0,0]=3 5676 B12R0.1 CCSC(=O)OCOCCCC#N aa2c881b39af8925a209c282573275fb [0,2,0,0,0,0|1,0,1]=4 5677 B12R0.1 CCSC(=O)OCOCCCC=O e3ddf05a8076c7a1cabb534b4c51686a [0,2,0,0,0,0|1,0,1]=4 5678 B12R0.1 CCSC(=O)OCOCCCCF 8a2f72e7430fec17daab35c296a525e6 [0,2,0,0,0,0|1,0,0]=3 5679 B12R0.1 CCSC(=O)OCOCCCCS 15bb7098a5ed012bbda50d884478b92e [0,2,0,0,0,0|1,0,0]=3 5680 B12R0.1 CCSC(=O)OCOCCCOC 4235fc747d4e998ececaf54b48abff59 [0,2,0,0,0,0|1,0,0]=3 5681 B12R0.1 CCSC(=O)OCOCCCSC a31ea85ef0c7d269de93e971a3acd92f [0,2,0,0,0,0|1,0,0]=3 5682 B12R0.1 CCSCCCCNC(=O)CCF 6b4c8dc221f6db6d6ba37381b52f6050 [0,2,0,0,0,0|2,0,0]=4 5683 B12R0.1 CCSCCCCNC(=O)CCO 8881d63e3c7a599a4d3d355f7d2c721e [0,2,0,0,0,0|2,0,0]=4 5684 B12R0.1 CCSCCCCNC(=O)CCS 1069c3c51ca8ef3386d9c9524c65a31e [0,2,0,0,0,0|2,0,0]=4 5685 B12R0.1 CCSCCCCNC(=O)COC 8121783f22c698c44d9e8b2b20561f0b [0,2,0,0,0,0|2,0,0]=4 5686 B12R0.1 CCSCCCCNC(=O)CSC fa5806384a7120c0ae5a0cfcaeb0915a [0,2,0,0,0,0|2,0,0]=4 5687 B12R0.1 CCSCCCOCC(=O)COC 4f37cacebc21a84fe13b7ef6a88f0a6c [0,2,0,0,0,0|1,0,0]=3 5688 B12R0.1 CCSCCNCOC(=O)SCC e4141b52a27a8eb556bb15cf0df00898 [0,2,0,0,0,0|1,0,0]=3 5689 B12R0.1 CCSCCOCOC(=O)SCC 9a9e6b7a9f743ce8cf9682c020ad08a2 [0,2,0,0,0,0|1,0,0]=3 5690 B12R0.1 COCC(=O)CNCCCCCCl fccdb41c7c069a66732258d99883415c [0,2,0,0,0,0|2,0,0]=4 5691 B12R0.1 COCC(=O)CNCCCCCO 9120529d0967c2dc131e6bc009c4e41f [0,2,0,0,0,0|2,0,0]=4 5692 B12R0.1 COCC(=O)CNCCCCSC d6d379e370d7b519d568d3eff3f0e2b1 [0,2,0,0,0,0|2,0,0]=4 5693 B12R0.1 COCC(=O)COCCCCC#N 4b545b55f451199b6f1b5ffa579e3503 [0,2,0,0,0,0|1,0,1]=4 5694 B12R0.1 COCC(=O)COCCCCC=O 87ba1851f36790b3d1019cd5dc46cf4a [0,2,0,0,0,0|1,0,1]=4 5695 B12R0.1 COCC(=O)COCCCCSC 42c4aaea28a73b373af3e289007550ea [0,2,0,0,0,0|1,0,0]=3 5696 B12R0.1 COCC(=O)COCCOCCF 24a4b5e7ba01128c7b1220e8115edd7d [0,2,0,0,0,0|2,0,0]=4 5697 B12R0.1 COCC(=O)COCCOCCS 1985d106455dd412e0012c044159bc12 [0,2,0,0,0,0|2,0,0]=4 5698 B12R0.1 COCC(=O)NCCCCCC#N d5ea49622b5b7d214d0a14dc7713452e [0,2,0,0,0,0|2,0,0]=4 5699 B12R0.1 COCC(=O)NCCCCCCCl f56305a7cce204e84369b7b636615ad0 [0,2,0,0,0,0|2,0,0]=4 5700 B12R0.1 COCC(=O)NCCCCCCO 47eb2d30db7a99156764f24b8c47b808 [0,2,0,0,0,0|2,0,0]=4 5701 B12R0.1 COCC(=O)NCCCOCCO 54c8b3b8bffeb2ae5a365806b4650d51 [0,2,0,0,0,0|2,0,0]=4 5702 B12R0.1 COCC(=O)NCCOCCCO 1f74d18d76d5ec52d4826995f7b781d2 [0,2,0,0,0,0|2,0,0]=4 5703 B12R0.1 COCCCCCNC(=O)CCF cc79a7d99c2076a90eabad7434d0bf78 [0,2,0,0,0,0|2,0,0]=4 5704 B12R0.1 COCCCCCNC(=O)CCO abc24b099a0d13686849252390c74130 [0,2,0,0,0,0|2,0,0]=4 5705 B12R0.1 COCCCCCNC(=O)CCS 7b0038ec930985fd4194049fad9639ec [0,2,0,0,0,0|2,0,0]=4 5706 B12R0.1 COCCCCCNC(=O)COC 3f3af212cf0957902c0363b5e2edb388 [0,2,0,0,0,0|2,0,0]=4 5707 B12R0.1 COCCCCCNC(=O)CSC e339d321d34c24da057e7fce7be55a1c [0,2,0,0,0,0|2,0,0]=4 5708 B12R0.1 COCCCCNCC(=O)COC db4a8c3b5e567158737d640c0c4bc172 [0,2,0,0,0,0|2,0,0]=4 5709 B12R0.1 COCCCCOCC(=O)COC 863c08947f65c4bdba2b82e33412ad6c [0,2,0,0,0,0|1,0,0]=3 5710 B12R0.1 COCCOCCNC(=O)CCF c4943380f5d4d9b565e378bd19b699e8 [0,2,0,0,0,0|2,0,0]=4 5711 B12R0.1 COCCOCCNC(=O)CCO 4a9483b0521a4eb2c3d26002857b7356 [0,2,0,0,0,0|2,0,0]=4 5712 B12R0.1 COCCOCCNC(=O)CCS 65576927e2e9f1e904efefff63e2408b [0,2,0,0,0,0|2,0,0]=4 5713 B12R0.1 COCCOCCNC(=O)COC d2e4cbd0760a4af7a7168a1896e4aa73 [0,2,0,0,0,0|2,0,0]=4 5714 B12R0.1 COCCOCCNC(=O)CSC fc2ed1ad55f9e165973ea963c1527f56 [0,2,0,0,0,0|2,0,0]=4 5715 B12R0.1 CSCC(=O)NCCCCCC#N b751ec46ab79171cf9d8e0752ad14109 [0,2,0,0,0,0|2,0,0]=4 5716 B12R0.1 CSCC(=O)NCCCCCCCl cea1db6eba198f7e8e21ffd3440f9f98 [0,2,0,0,0,0|2,0,0]=4 5717 B12R0.1 CSCC(=O)NCCCCCCO e46ec23bc07ea057592eca503b3a59c6 [0,2,0,0,0,0|2,0,0]=4 5718 B12R0.1 CSCC(=O)NCCCOCCO e92d73a4a7f3ffe024e6a63ae274881b [0,2,0,0,0,0|2,0,0]=4 5719 B12R0.1 CSCC(=O)NCCOCCCO f05b27822cfa2b6b201f7341fe853e2d [0,2,0,0,0,0|2,0,0]=4 5720 B12R0.1 N#CCCCCCNC(=O)CCF 5655329d75cece700379803b5d019b49 [0,2,0,0,0,0|2,0,0]=4 5721 B12R0.1 N#CCCCCCNC(=O)CCO 1cb4f2177e6af55e195abbbf368999a9 [0,2,0,0,0,0|2,0,0]=4 5722 B12R0.1 N#CCCCCCNC(=O)CCS 1367836d597e26e7515abf582e26d46c [0,2,0,0,0,0|2,0,0]=4 5723 B12R0.1 O=C(CCF)NCCCCCCCl d5c70ce0ae64de935e6f056589a3ac00 [0,2,0,0,0,0|2,0,0]=4 5724 B12R0.1 O=C(CCF)NCCCCCCO 367fe98c8ae2c9593bcc872ae9a58157 [0,2,0,0,0,0|2,0,0]=4 5725 B12R0.1 O=C(CCF)NCCCOCCO ec0d870d95310bbf12f7d317761f4783 [0,2,0,0,0,0|2,0,0]=4 5726 B12R0.1 O=C(CCF)NCCOCCCO 0066c728d1788a05cc3e8c8ee954d742 [0,2,0,0,0,0|2,0,0]=4 5727 B12R0.1 O=C(CCO)NCCCCCCCl 717871a073ce683895d250ac529eb3ed [0,2,0,0,0,0|2,0,0]=4 5728 B12R0.1 O=C(CCO)NCCCCCCO ce4e1d63f68c93347b59610baa8af262 [0,2,0,0,0,0|2,0,0]=4 5729 B12R0.1 O=C(CCO)NCCCOCCO 8bd0dd343da5891c329e2afa9dcd2918 [0,2,0,0,0,0|2,0,0]=4 5730 B12R0.1 O=C(CCO)NCCOCCCO d057475969ef3341e9a76ac34517518b [0,2,0,0,0,0|2,0,0]=4 5731 B12R0.1 O=C(CCS)NCCCCCCCl 86972ac877510f22d9de456e8135622c [0,2,0,0,0,0|2,0,0]=4 5732 B12R0.1 O=C(CCS)NCCCCCCO c40e517184c2eeda2022320ae37d394e [0,2,0,0,0,0|2,0,0]=4 5733 B12R0.1 O=C(CCS)NCCCOCCO 1fdcadaac36e6e72adabbadcd2dc55c3 [0,2,0,0,0,0|2,0,0]=4 5734 B12R0.1 O=C(CCS)NCCOCCCO f12d758625e52bc8eb04339768e44e77 [0,2,0,0,0,0|2,0,0]=4 5735 B12R0.49 C#CCCCCNC(=O)C(O)CC 87c73cfe8f2c1e940aa10fde06735a19 [0,2,0,0,0,0|1,0,1]=4 5736 B12R0.49 C#CCCCCNC(=O)[C@@H](O)CC a843dfbabab93424f9d600b046e9a8b7 [0,2,0,0,0,0|1,0,1]=4 5737 B12R0.49 C#CCCCCNC(=O)[C@@H](S)CC 43c7a0c827adda63fdc67d063201c188 [0,2,0,0,0,0|1,0,1]=4 5738 B12R0.49 C#CCCCCNC(=O)[C@H](O)CC 8eb903527da193e7984022c6bf1554ec [0,2,0,0,0,0|1,0,1]=4 5739 B12R0.49 C#CCCCOCC(=O)C(C)CC a4b5f66b59875bf927e771046fecd00b [0,2,0,0,0,0|0,0,2]=4 5740 B12R0.49 C/C=C/CCOCC(=O)C(C)CC 3a034f9d52cd6b5d444a59841b32983d [0,2,0,0,0,0|0,0,2]=4 5741 B12R0.49 C=C(CC)C(=O)NCCCCCC 9d8959196f3c3634e8011b8ca564656f [0,2,0,0,0,0|1,0,1]=4 5742 B12R0.49 C=C(CC)C(=O)NCCCCCCl afca8e7e9b25d9a0b5ed8b57ee042f24 [0,2,0,0,0,0|1,0,1]=4 5743 B12R0.49 C=C(CC)C(=O)NCCCCCO 03a67674f3f5619aeb23cf98ae15238c [0,2,0,0,0,0|1,0,1]=4 5744 B12R0.49 C=C(CC)C(=O)NCCCCOC 9806cdb9d61435dbd63662e7492b6903 [0,2,0,0,0,0|1,0,1]=4 5745 B12R0.49 C=C(CC)C(=O)NCCCCSC 72d1fbd3e332fca23d7f739572c93855 [0,2,0,0,0,0|1,0,1]=4 5746 B12R0.49 C=C(CC)C(=O)NCCCOCC 26ad5dfc5f12748e43121622b08392f5 [0,2,0,0,0,0|1,0,1]=4 5747 B12R0.49 C=C(CC)C(=O)NCCOCCC d1d316b83d3ff813633b4711d31a4347 [0,2,0,0,0,0|1,0,1]=4 5748 B12R0.49 C=CCCCCNC(=O)C(O)CC ecde6213443b0c5462edd92d2cd8d198 [0,2,0,0,0,0|1,0,1]=4 5749 B12R0.49 C=CCCCCNC(=O)[C@@H](O)CC 4c3569cb00268b18403dab8b2419b84b [0,2,0,0,0,0|1,0,1]=4 5750 B12R0.49 C=CCCCCNC(=O)[C@@H](S)CC 9bf6ad52d1e50c1eac409c9111790596 [0,2,0,0,0,0|1,0,1]=4 5751 B12R0.49 C=CCCCCNC(=O)[C@H](O)CC b7b16b07dc188ed6d0508b122e8269d2 [0,2,0,0,0,0|1,0,1]=4 5752 B12R0.49 C=CCCCOCC(=O)C(C)CC eb75e84d133d03b5d31d735b62fe0e80 [0,2,0,0,0,0|0,0,2]=4 5753 B12R0.49 CC#CCCOCC(=O)C(C)CC 4df0518b4c9bf373a54b3b300d057a5c [0,2,0,0,0,0|0,0,2]=4 5754 B12R0.49 CC/C=C/COCC(=O)C(C)CC 8c54d1f6fd0e669b4317afe0560e7a89 [0,2,0,0,0,0|0,0,2]=4 5755 B12R0.49 CC/C=C\COCC(=O)C(C)CC 0d6005c9323435f280a912ffed36d843 [0,2,0,0,0,0|0,0,2]=4 5756 B12R0.49 CCC#CCOCC(=O)C(C)CC 3e8a3dbe86814004db7c9b4460564333 [0,2,0,0,0,0|0,0,2]=4 5757 B12R0.49 CCC(=O)C(=O)NCCCCCCl cb1825668dda86a084b889033e739c89 [0,2,0,0,0,0|1,0,1]=4 5758 B12R0.49 CCC(=O)C(=O)NCCCCCO d2ad8df0885a2c11d6e8bd800c2fb99d [0,2,0,0,0,0|1,0,1]=4 5759 B12R0.49 CCC(=O)C(=O)NCCCCOC 5e10aa51a325abddb7b40370d880d5e2 [0,2,0,0,0,0|1,0,1]=4 5760 B12R0.49 CCC(=O)C(=O)NCCCCSC 19667dbd1c2a4f65682e366ac50eedfd [0,2,0,0,0,0|1,0,1]=4 5761 B12R0.49 CCC(C)C(=O)CNCCCCCl 5e00bd5c0d02fcfbdd887e53c2661163 [0,2,0,0,0,0|2,0,0]=4 5762 B12R0.49 CCC(C)C(=O)CNCCCCO f6d2bd2930611388b2292a864e53d4af [0,2,0,0,0,0|2,0,0]=4 5763 B12R0.49 CCC(C)C(=O)CNCCCCS f859f76901e4e4632df65dda5be14ac5 [0,2,0,0,0,0|2,0,0]=4 5764 B12R0.49 CCC(C)C(=O)CNCCCOC 5e8c3ac1b68ac08dc6ed338f35e596cd [0,2,0,0,0,0|2,0,0]=4 5765 B12R0.49 CCC(C)C(=O)CNCCCSC c760392e33890d283a89011a70c37256 [0,2,0,0,0,0|2,0,0]=4 5766 B12R0.49 CCC(C)C(=O)COCCCC#N 66213021d5fd5031a64561caa2dbd46f [0,2,0,0,0,0|1,0,1]=4 5767 B12R0.49 CCC(C)C(=O)COCCCC=O ad74e3e5cb0bfe01988578e887e6d32a [0,2,0,0,0,0|1,0,1]=4 5768 B12R0.49 CCC(C)C(=O)COCCCCF 4ab2a4a3ff488c26f7ad8c03c8fe5960 [0,2,0,0,0,0|1,0,0]=3 5769 B12R0.49 CCC(C)C(=O)COCCCCS 8c0b1de4841bd3f4bcbddb446993fa5d [0,2,0,0,0,0|1,0,0]=3 5770 B12R0.49 CCC(C)C(=O)COCCCOC 9732dae20017e276cf3678e69f6679e1 [0,2,0,0,0,0|1,0,0]=3 5771 B12R0.49 CCC(C)C(=O)COCCCSC 4c47f52aeeb27560bba8c07c6ccc47e2 [0,2,0,0,0,0|1,0,0]=3 5772 B12R0.49 CCC(C)C(C)OCCCCCF 700e11bfacae2032bf07a62e0a725f8e [0,2,0,0,0,0|1,0,1]=4 5773 B12R0.49 CCC(C)C(C)OCCCCOC d764f121d436b5b73dd1e495d1bf4f48 [0,2,0,0,0,0|1,0,1]=4 5774 B12R0.49 CCC(O)C(=O)NCCCCC#N d28c9408309749be7e6c78c5566de369 [0,2,0,0,0,0|1,0,1]=4 5775 B12R0.49 CCC(O)C(=O)NCCCCCCl bf3f1ac66b1a1baf958e367ac0c77792 [0,2,0,0,0,0|1,0,0]=3 5776 B12R0.49 CCC(O)C(=O)NCCCCCO 8a96b34cdc8e800cf1a08af6419edc2c [0,2,0,0,0,0|1,0,0]=3 5777 B12R0.49 CCC(O)C(=O)NCCCCOC 9440b73e6d68200060112ee2126a84f9 [0,2,0,0,0,0|1,0,0]=3 5778 B12R0.49 CCC(O)C(=O)NCCCCSC acb0105bb8f5dbd86a54b854eb396a58 [0,2,0,0,0,0|1,0,0]=3 5779 B12R0.49 CCC(O)C(=O)NCCOCCO 8257174d783e67131f562d8cd1594584 [0,2,0,0,0,0|2,0,0]=4 5780 B12R0.49 CCC(O)C(=O)NCCOCCS 94a85a16beedbada5462818c5f59042b [0,2,0,0,0,0|2,0,0]=4 5781 B12R0.49 CCC(O)C(=O)NCCSCCO 1a3eb829cd8a023ffc20ab96a0fd0195 [0,2,0,0,0,0|2,0,0]=4 5782 B12R0.49 CCCCC/C=C/C(=O)N(C)CC d4db29ff07fe309d7264826a79cb4dbf [0,2,0,0,0,0|2,0,0]=4 5783 B12R0.49 CCCCCC#CC(=O)N(C)CC 38a22927db674173e43a7bc512ecd9fe [0,2,0,0,0,0|2,0,0]=4 5784 B12R0.49 CCCCCCCC(=O)N(C)CC 83e40ec91cb24b08704b6b5ef4a2b915 [0,2,0,0,0,0|2,0,0]=4 5785 B12R0.49 CCCCCCNC(=O)C(=O)CC 7264216756797e0820cbad46eb24a1ae [0,2,0,0,0,0|1,0,1]=4 5786 B12R0.49 CCCCCCNC(=O)C(C)OC b77bfc4f3a4a50a0e3f74b97e3cf3c2d [0,2,0,0,0,0|2,0,0]=4 5787 B12R0.49 CCCCCCNC(=O)C(C)SC 7fe254c25e044d1a8220c4931d97c43f [0,2,0,0,0,0|2,0,0]=4 5788 B12R0.49 CCCCCCNC(=O)C(O)CC 2dfea7a29e1f1e17066b0443b9b3b5d1 [0,2,0,0,0,0|1,0,0]=3 5789 B12R0.49 CCCCCCNC(=O)C(O)CO a52779fab47d71e25a117ddca18c8ce2 [0,2,0,0,0,0|2,0,0]=4 5790 B12R0.49 CCCCCCNC(=O)N(C)CC 4387ed06ecf814f68baf97ce7e00e254 [0,2,0,0,0,0|2,0,0]=4 5791 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC c7684af5b7ff45f4507ad84577e32b95 [0,2,0,0,0,0|2,0,0]=4 5792 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC ef709ce52ace53a564fc6f54c3771e3a [0,2,0,0,0,0|1,0,0]=3 5793 B12R0.49 CCCCCCNC(=O)[C@@H](O)CO bbbf168e3f213966554aacfd4e5e1e06 [0,2,0,0,0,0|2,0,0]=4 5794 B12R0.49 CCCCCCNC(=O)[C@@H](S)CC 68fcc5e375da4a1f458720ad00f998ff [0,2,0,0,0,0|1,0,0]=3 5795 B12R0.49 CCCCCCNC(=O)[C@H](C)OC cbdd9a82ec4e5509ada63f3705450143 [0,2,0,0,0,0|2,0,0]=4 5796 B12R0.49 CCCCCCNC(=O)[C@H](O)CC 1101341d39415ea85dd3b3c27fdee73b [0,2,0,0,0,0|1,0,0]=3 5797 B12R0.49 CCCCCCNC(=O)[C@H](O)CF 0150db93c3b625d7771cccd94e5f17ea [0,2,0,0,0,0|2,0,0]=4 5798 B12R0.49 CCCCCCOC(C)C(C)CC 630ae98cf26b58ae6dbb94ab711c8595 [0,2,0,0,0,0|1,0,1]=4 5799 B12R0.49 CCCCCNCC(=O)C(C)CC 1e86c410e39631c2b0331ebc112f9c4c [0,2,0,0,0,0|1,0,0]=3 5800 B12R0.49 CCCCCNCC(=O)N(C)CC 1287814cecf20c77abde74dbc51e0955 [0,2,0,0,0,0|2,0,0]=4 5801 B12R0.49 CCCCCOCC(=O)C(=O)OC 46b36beda31fc1591fb81caf391d7d08 [0,2,0,0,0,0|1,0,1]=4 5802 B12R0.49 CCCCCOCC(=O)C(C)CC 4d387cda75bd197376ebdf1746c2cdde [0,2,0,0,0,0|0,0,0]=2 5803 B12R0.49 CCCCCOCC(=O)N(C)CC b4587369bbc7aa98f99a1e98e6647ea9 [0,2,0,0,0,0|1,0,0]=3 5804 B12R0.49 CCCCCOCC(C)C(S)CC 2067ddebbfc800bfc113edc12697ac5f [0,2,0,0,0,0|1,0,1]=4 5805 B12R0.49 CCCCOCCC(=O)N(C)CC 3239239163c912dd00ed16a547a35a0d [0,2,0,0,0,0|2,0,0]=4 5806 B12R0.49 CCCCOCOC(C)C(C)CC 192f69cd6d06ae3481bbadb2cef2f1ca [0,2,0,0,0,0|1,0,1]=4 5807 B12R0.49 CCCOCCNC(=O)C(=O)CC 604861ed88e8caaaf850f487699d0736 [0,2,0,0,0,0|1,0,1]=4 5808 B12R0.49 CCCOCCNC(=O)C(C)OC 3111c159c7fff7644e182247afe7d2b1 [0,2,0,0,0,0|2,0,0]=4 5809 B12R0.49 CCCOCCNC(=O)C(C)SC 7c4395dfc68ef130cbca1bbb45041139 [0,2,0,0,0,0|2,0,0]=4 5810 B12R0.49 CCCOCCNC(=O)C(O)CC 89e8baa7e85ca1a249ed5c1a95844311 [0,2,0,0,0,0|1,0,0]=3 5811 B12R0.49 CCCOCCNC(=O)C(O)CO fd515d333ea0bc2deb2d1d2001d375fd [0,2,0,0,0,0|2,0,0]=4 5812 B12R0.49 CCCOCCNC(=O)N(C)CC 3bc0e55878f53c4307d3c8b771e3c314 [0,2,0,0,0,0|2,0,0]=4 5813 B12R0.49 CCCOCCNC(=O)[C@@H](C)OC 2a82ff95b84fa81c03318375e701c58b [0,2,0,0,0,0|2,0,0]=4 5814 B12R0.49 CCCOCCNC(=O)[C@@H](O)CC 84d3d59f9ec1a97253495961fe599948 [0,2,0,0,0,0|1,0,0]=3 5815 B12R0.49 CCCOCCNC(=O)[C@@H](O)CO d264caed470e21b16f827e12dba2bd7f [0,2,0,0,0,0|2,0,0]=4 5816 B12R0.49 CCCOCCNC(=O)[C@@H](S)CC d6ca6047a38925641dd42efcb05e3d48 [0,2,0,0,0,0|1,0,0]=3 5817 B12R0.49 CCCOCCNC(=O)[C@H](C)OC b97f630dd77c17a5f33b2832adc4d8eb [0,2,0,0,0,0|2,0,0]=4 5818 B12R0.49 CCCOCCNC(=O)[C@H](O)CC 79380398f36c905b8b1ade02a1071a51 [0,2,0,0,0,0|1,0,0]=3 5819 B12R0.49 CCCOCCNC(=O)[C@H](O)CF 751dd3ac64079c4757d544d0a8019405 [0,2,0,0,0,0|2,0,0]=4 5820 B12R0.49 CCCOCCOC(C)C(C)CC 0031d513f26ba6a645d242bbd3f5cfd2 [0,2,0,0,0,0|1,0,1]=4 5821 B12R0.49 CCN(C)C(=O)CCCCCCF e42f6fe668b4b9dd6d4bb7c5202c8f1e [0,2,0,0,0,0|2,0,0]=4 5822 B12R0.49 CCN(C)C(=O)CCCCCCO 7f22ffcb79536a421880d35c39d868ab [0,2,0,0,0,0|2,0,0]=4 5823 B12R0.49 CCN(C)C(=O)CCCCCCS 9972e9cfb4a192bc58a2a1458ce03301 [0,2,0,0,0,0|2,0,0]=4 5824 B12R0.49 CCN(C)C(=O)CCCCCOC 1b3b9cc77168f3d7faca86fc83d97b6e [0,2,0,0,0,0|2,0,0]=4 5825 B12R0.49 CCN(C)C(=O)COCCCCF 3f642953c44f2dc72d2f6e3a328e53cf [0,2,0,0,0,0|2,0,0]=4 5826 B12R0.49 CCN(C)C(=O)COCCCCS 8e75cfd9855ee5ffd7a661cdbb6dcd4e [0,2,0,0,0,0|2,0,0]=4 5827 B12R0.49 CCN(C)C(=O)COCCCOC 9466cd9186e7a1a36edfeed93fcb5a6b [0,2,0,0,0,0|2,0,0]=4 5828 B12R0.49 CCN(C)C(=O)COCCCSC 392a8ae519688e8d6cde599c5c8a1d10 [0,2,0,0,0,0|2,0,0]=4 5829 B12R0.49 CCN(C)C(=O)NCCCCCN 25d215397ca65549b805cc4ddeaea424 [0,2,0,0,0,0|2,0,0]=4 5830 B12R0.49 CCN(C)C(=O)NCCCCCO efafedba135aded94dabcba441b74943 [0,2,0,0,0,0|2,0,0]=4 5831 B12R0.49 CCN(C)C(=O)NCCCCOC 7753e713ccc11dca7fea804a34abae74 [0,2,0,0,0,0|2,0,0]=4 5832 B12R0.49 CCN(C)C(=O)NCCCCSC 84a57c49533f9c73e10bcbbeeb656c7f [0,2,0,0,0,0|2,0,0]=4 5833 B12R0.49 CCOCCCCC(=O)N(C)CC aced8a394735618ba6dd6b189aa47daf [0,2,0,0,0,0|2,0,0]=4 5834 B12R0.49 CCOCCCNC(=O)C(=O)CC b2e30ccf3fe004254f5b06bde088aa23 [0,2,0,0,0,0|1,0,1]=4 5835 B12R0.49 CCOCCCNC(=O)C(C)OC 4d49b6c875145126919b05d8dd7ecbac [0,2,0,0,0,0|2,0,0]=4 5836 B12R0.49 CCOCCCNC(=O)C(C)SC 99469fc94e4c74abff79c14869aa146f [0,2,0,0,0,0|2,0,0]=4 5837 B12R0.49 CCOCCCNC(=O)C(O)CC 167747e8c6410e958f142b0e256ba04a [0,2,0,0,0,0|1,0,0]=3 5838 B12R0.49 CCOCCCNC(=O)C(O)CO 6cdaa24cb04ccde93455bd07359f9488 [0,2,0,0,0,0|2,0,0]=4 5839 B12R0.49 CCOCCCNC(=O)N(C)CC 29aea21eeabff10d51398ab35259ec19 [0,2,0,0,0,0|2,0,0]=4 5840 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC 513cbc69158012ea84faffa59762a0b4 [0,2,0,0,0,0|2,0,0]=4 5841 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC b0dc51477be07cc202403603aa0a8dfa [0,2,0,0,0,0|1,0,0]=3 5842 B12R0.49 CCOCCCNC(=O)[C@@H](O)CO 172328cdc6d6ff636500f873bd850016 [0,2,0,0,0,0|2,0,0]=4 5843 B12R0.49 CCOCCCNC(=O)[C@@H](S)CC 26bd658e323fe7dc638a013cca003f81 [0,2,0,0,0,0|1,0,0]=3 5844 B12R0.49 CCOCCCNC(=O)[C@H](C)OC 134a8297fdb1a0d7ec41f278fbdce7b8 [0,2,0,0,0,0|2,0,0]=4 5845 B12R0.49 CCOCCCNC(=O)[C@H](O)CC c5a6b9675fe01735a284b80800911ece [0,2,0,0,0,0|1,0,0]=3 5846 B12R0.49 CCOCCCNC(=O)[C@H](O)CF 12731d4320db9f5d4665bc741d2a4ac5 [0,2,0,0,0,0|2,0,0]=4 5847 B12R0.49 CCOCCCOC(C)C(C)CC 2d9d756fb7800731d6ad9aa749a536d9 [0,2,0,0,0,0|1,0,1]=4 5848 B12R0.49 CCOCCNCC(=O)C(C)CC f3349a5aa97694d6bf69f9e411fca851 [0,2,0,0,0,0|2,0,0]=4 5849 B12R0.49 CCOCCOCC(=O)C(C)CC 69cfafc24e5fad119aa54b59842a1c39 [0,2,0,0,0,0|1,0,0]=3 5850 B12R0.49 CCOCCOCC(=O)N(C)CC 588215693de52b1399bfe103c7c6dc23 [0,2,0,0,0,0|2,0,0]=4 5851 B12R0.49 CCSCCCOC(C)C(C)CC 6101fa808935c6a85ababf9a2307f9a4 [0,2,0,0,0,0|1,0,1]=4 5852 B12R0.49 CCSCCNCC(=O)C(C)CC f746219df2ff8a45b60efd4c507829ae [0,2,0,0,0,0|2,0,0]=4 5853 B12R0.49 CCSCCOCC(=O)C(C)CC 806b71eb09bb38f84c2a06a512d442d3 [0,2,0,0,0,0|1,0,0]=3 5854 B12R0.49 CCSCCOCC(=O)N(C)CC 52a3903f5bde3c19a029518943fedf3e [0,2,0,0,0,0|2,0,0]=4 5855 B12R0.49 CC[C@@H](O)C(=O)NCCCCC#N a66e43bedb65dd8f7709e8aa10989b6b [0,2,0,0,0,0|1,0,1]=4 5856 B12R0.49 CC[C@@H](O)C(=O)NCCCCCCl 93b35cb57d3feeef3ec0afcf3e4295ca [0,2,0,0,0,0|1,0,0]=3 5857 B12R0.49 CC[C@@H](O)C(=O)NCCCCCO 6651ce84f5bf43d065db6fd2acd69499 [0,2,0,0,0,0|1,0,0]=3 5858 B12R0.49 CC[C@@H](O)C(=O)NCCCCOC 51c5fa18bf3b31cc9885b7ec41f23364 [0,2,0,0,0,0|1,0,0]=3 5859 B12R0.49 CC[C@@H](O)C(=O)NCCCCSC 431a76d7b96209701ca86b3cff9dbb04 [0,2,0,0,0,0|1,0,0]=3 5860 B12R0.49 CC[C@@H](O)C(=O)NCCOCCO 4ee2ec2637a276bd4d6cab52b39d7f76 [0,2,0,0,0,0|2,0,0]=4 5861 B12R0.49 CC[C@@H](O)C(=O)NCCOCCS 96bbd59d884bf617b2c76231d129f52f [0,2,0,0,0,0|2,0,0]=4 5862 B12R0.49 CC[C@@H](O)C(=O)NCCSCCO 954f9326828b52a8dec39f4b875d5249 [0,2,0,0,0,0|2,0,0]=4 5863 B12R0.49 CC[C@H](O)C(=O)NCCCCC#N 9fbf68d163535744e272e2f10a270551 [0,2,0,0,0,0|1,0,1]=4 5864 B12R0.49 CC[C@H](O)C(=O)NCCCCCCl 83212c4a8224aee8a7d8685523e65470 [0,2,0,0,0,0|1,0,0]=3 5865 B12R0.49 CC[C@H](O)C(=O)NCCCCCO f27d502ca0afa49c39b183a830202da1 [0,2,0,0,0,0|1,0,0]=3 5866 B12R0.49 CC[C@H](O)C(=O)NCCCCOC 47162c6e7ab1f08818373e29249b1559 [0,2,0,0,0,0|1,0,0]=3 5867 B12R0.49 CC[C@H](O)C(=O)NCCCCSC 86bba83edb4df1331948258e5cca2055 [0,2,0,0,0,0|1,0,0]=3 5868 B12R0.49 CC[C@H](O)C(=O)NCCOCCO 92e81b55252600ddec359b8886db6846 [0,2,0,0,0,0|2,0,0]=4 5869 B12R0.49 CC[C@H](O)C(=O)NCCOCCS 82853cb6a446960ab48db2ab1300853a [0,2,0,0,0,0|2,0,0]=4 5870 B12R0.49 CC[C@H](O)C(=O)NCCSCCO a93dc3aad7c0d5ace976e2e7bfc20f0e [0,2,0,0,0,0|2,0,0]=4 5871 B12R0.49 CC[C@H](S)C(=O)NCCCCC#N 9332df3c5d820c4968f2244d239e659a [0,2,0,0,0,0|1,0,1]=4 5872 B12R0.49 CC[C@H](S)C(=O)NCCCCCCl ed2d15600bffd1a87a44fbf2f6633990 [0,2,0,0,0,0|1,0,0]=3 5873 B12R0.49 CC[C@H](S)C(=O)NCCCCCO da815a91ff4ace2e94f709c3c7ee0e2a [0,2,0,0,0,0|1,0,0]=3 5874 B12R0.49 CC[C@H](S)C(=O)NCCCCOC 69ae238fe41b9a44026992206edb0e00 [0,2,0,0,0,0|1,0,0]=3 5875 B12R0.49 CC[C@H](S)C(=O)NCCCCSC ad8792ee066d852f006ed39e2a73dc38 [0,2,0,0,0,0|1,0,0]=3 5876 B12R0.49 CC[C@H](S)C(=O)NCCOCCO ef5dda78338cafeb88c9024b2305ba91 [0,2,0,0,0,0|2,0,0]=4 5877 B12R0.49 CC[C@H](S)C(=O)NCCOCCS 22f2d46e412d5480b962bc61b6b06144 [0,2,0,0,0,0|2,0,0]=4 5878 B12R0.49 CC[C@H](S)C(=O)NCCSCCO 3fdb367639e2e839308e9ba611274af6 [0,2,0,0,0,0|2,0,0]=4 5879 B12R0.49 COC(C)C(=O)NCCCCCCl 6639a33cac038d6efd26f3f568b32ff9 [0,2,0,0,0,0|2,0,0]=4 5880 B12R0.49 COC(C)C(=O)NCCCCCO 21545bc1c945b4904d573f0d4fabd7b9 [0,2,0,0,0,0|2,0,0]=4 5881 B12R0.49 COC(C)C(=O)NCCCCSC 1fec200ec55500efd35cf54a0db22824 [0,2,0,0,0,0|2,0,0]=4 5882 B12R0.49 COCCCCNC(=O)C(C)OC 50896985c8cfc8526ece78e50d434068 [0,2,0,0,0,0|2,0,0]=4 5883 B12R0.49 COCCCCNC(=O)C(C)SC a89662d5a1a6aca1e8fb8d2a70a6a2f8 [0,2,0,0,0,0|2,0,0]=4 5884 B12R0.49 COCCCCNC(=O)C(O)CO dc690b3c212345fdc23314230fa78972 [0,2,0,0,0,0|2,0,0]=4 5885 B12R0.49 COCCCCNC(=O)[C@@H](C)OC a885dbd0bbafedc789fcb4546700cae1 [0,2,0,0,0,0|2,0,0]=4 5886 B12R0.49 COCCCCNC(=O)[C@@H](O)CO 3c3ba46950a4fa81750376a630f63af3 [0,2,0,0,0,0|2,0,0]=4 5887 B12R0.49 COCCCCNC(=O)[C@H](C)OC ff3cd2fafb1fc7ad2a2f9ea36c79c470 [0,2,0,0,0,0|2,0,0]=4 5888 B12R0.49 COCCCCNC(=O)[C@H](O)CF 1cc5bc38cf7170fbf922199f0949c1ec [0,2,0,0,0,0|2,0,0]=4 5889 B12R0.49 CO[C@@H](C)C(=O)NCCCCCCl 297c3125698d5740f11a696fb7244b8c [0,2,0,0,0,0|2,0,0]=4 5890 B12R0.49 CO[C@@H](C)C(=O)NCCCCCO 9345f48018c2ce1120ed12730ac0ce13 [0,2,0,0,0,0|2,0,0]=4 5891 B12R0.49 CO[C@@H](C)C(=O)NCCCCSC 2813fc413b8deccccd925012d6144a4b [0,2,0,0,0,0|2,0,0]=4 5892 B12R0.49 CO[C@H](C)C(=O)NCCCCCCl 82508982c4c65d4eb3b25af5a0349a15 [0,2,0,0,0,0|2,0,0]=4 5893 B12R0.49 CO[C@H](C)C(=O)NCCCCCO edbe412e085379d9ccbce14b27c4f7af [0,2,0,0,0,0|2,0,0]=4 5894 B12R0.49 CO[C@H](C)C(=O)NCCCCSC c1075e41d0af48861635b0cde1577555 [0,2,0,0,0,0|2,0,0]=4 5895 B12R0.49 CSC(C)C(=O)NCCCCCCl fbd7b2947d528a59227e872acbf0577c [0,2,0,0,0,0|2,0,0]=4 5896 B12R0.49 CSC(C)C(=O)NCCCCCO 98dc3fab9e6c6621dd3f96c87a990783 [0,2,0,0,0,0|2,0,0]=4 5897 B12R0.49 CSCCCCNC(=O)C(C)SC 28a89eae3db1ee1172dd254a727e10e0 [0,2,0,0,0,0|2,0,0]=4 5898 B12R0.49 CSCCCCNC(=O)C(O)CO 973fca9c2575149633e363d9138b3084 [0,2,0,0,0,0|2,0,0]=4 5899 B12R0.49 CSCCCCNC(=O)[C@@H](O)CO c2ea672218af8ea8654e9ef53d05af55 [0,2,0,0,0,0|2,0,0]=4 5900 B12R0.49 CSCCCCNC(=O)[C@H](O)CF 7ca63a6179e70ea056c7b763d298a823 [0,2,0,0,0,0|2,0,0]=4 5901 B12R0.49 O=C(NCCCCCCl)C(O)CO 769ca8b9c4e41e0aa9c3ecf694bed738 [0,2,0,0,0,0|2,0,0]=4 5902 B12R0.49 O=C(NCCCCCCl)[C@@H](O)CO 5b3ce19072466265b37c53c23ad2b823 [0,2,0,0,0,0|2,0,0]=4 5903 B12R0.49 O=C(NCCCCCCl)[C@H](O)CF 46591c0b4050fac20546e3dbeb468b93 [0,2,0,0,0,0|2,0,0]=4 5904 B12R0.49 O=C(NCCCCCO)C(O)CO 4d0c8a22366f37a24bc91e300943876e [0,2,0,0,0,0|2,0,0]=4 5905 B12R0.49 O=C(NCCCCCO)[C@@H](O)CO 28f7ec4534098ceb6e798726394a9c72 [0,2,0,0,0,0|2,0,0]=4 5906 B12R0.49 O=C(NCCCCCO)[C@H](O)CF eb2f7dbab32d74c4fb41c4c52cb366b2 [0,2,0,0,0,0|2,0,0]=4 5907 B12R0.101 C#CCCC(=O)NCC(O)CCC b218116a8f733049578ae2eb258766e7 [0,2,0,0,0,0|1,0,1]=4 5908 B12R0.101 C#CCCN(C)COC(=O)CCC 186c51a3fca75bdedb0a1a200e07a415 [0,2,0,0,0,0|0,0,2]=4 5909 B12R0.101 C/C=C/CC(=O)NCC(O)CCC 66a0fd55cc93adee423d0758cffcd1f8 [0,2,0,0,0,0|1,0,1]=4 5910 B12R0.101 C=CCCC(=O)NCC(O)CCC 7c32ee7684df7a119e9dc807f5266e01 [0,2,0,0,0,0|1,0,1]=4 5911 B12R0.101 C=CCCC(C)OCC(=O)CCC bc1cdb294d099a2eb1f48e6aa3659156 [0,2,0,0,0,0|0,0,2]=4 5912 B12R0.101 C=CCCC(O)CNC(=O)CCC e593e775107814934f234faef1a94ef4 [0,2,0,0,0,0|1,0,1]=4 5913 B12R0.101 C=CCCN(C)COC(=O)CCC fd297399b46ea31be6159f4a084187fc [0,2,0,0,0,0|0,0,2]=4 5914 B12R0.101 C=CCC[C@@H](C)OCC(=O)CCC 497577fac5c9fe0a4657528474e6836f [0,2,0,0,0,0|0,0,2]=4 5915 B12R0.101 CC#CCC(=O)NCC(O)CCC d8d09bbe322802b3c5e8d22388a0bf8b [0,2,0,0,0,0|1,0,1]=4 5916 B12R0.101 CC(CCO)CNC(=O)CCCF 5f9f0e1542acb33fcd0cabf986cd6736 [0,2,0,0,0,0|2,0,0]=4 5917 B12R0.101 CC(CCO)CNC(=O)CCCS 1218c37dcc17553df98afd1bbeff92f0 [0,2,0,0,0,0|2,0,0]=4 5918 B12R0.101 CC/C=C/C(=O)NCC(O)CCC 3d88715c9aeb0249647854ebdd1aa1b2 [0,2,0,0,0,0|1,0,1]=4 5919 B12R0.101 CC/C=C\C(=O)NCC(O)CCC 0f56b7a7017636306bfb7ed46c52d069 [0,2,0,0,0,0|1,0,1]=4 5920 B12R0.101 CCC#CC(=O)NCC(O)CCC 8ab41ca8fb6ca7dac1f26bcc2c2ea231 [0,2,0,0,0,0|1,0,1]=4 5921 B12R0.101 CCC#CC(C)OCC(=O)CCC 6158f234b0fb6a2be56a7dd208efd95e [0,2,0,0,0,0|0,0,2]=4 5922 B12R0.101 CCC=CC(=O)NCC(O)CCC b5ced7de665a692d7fc1a76bc9efad10 [0,2,0,0,0,0|1,0,1]=4 5923 B12R0.101 CCCC(=O)CNC(C)CCCO fd4cb5fb004f60b2f252dec473950bfa [0,2,0,0,0,0|2,0,0]=4 5924 B12R0.101 CCCC(=O)CN[C@H](C)CCCO 7f837ae155d835ceb55d3cd16720920b [0,2,0,0,0,0|2,0,0]=4 5925 B12R0.101 CCCC(=O)COC(C)CCOC 4681545122255474c8094be9f229bd36 [0,2,0,0,0,0|1,0,0]=3 5926 B12R0.101 CCCC(=O)COC(C)COCC e4b0159e7a9f57dab16633647afc081f [0,2,0,0,0,0|1,0,0]=3 5927 B12R0.101 CCCC(=O)NCC(O)COCC 1b42f124a08f92a2c428ba307c7eb679 [0,2,0,0,0,0|1,0,0]=3 5928 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 1656882a503ac29450bf52d7c1a4a84b [0,2,0,0,0,0|1,0,0]=3 5929 B12R0.101 CCCC(=O)OCN(C)CCC#N ad4187f5bb28fa23719280c8c9af3f8f [0,2,0,0,0,0|1,0,1]=4 5930 B12R0.101 CCCC(=O)OCN(C)CCCO 5cc2d72f2111168666a3a0a4efacdc0f [0,2,0,0,0,0|1,0,0]=3 5931 B12R0.101 CCCC(=O)OCN(C)CCOC 8eb63ab24ba8198b7c8dc3befcd0e5e3 [0,2,0,0,0,0|1,0,0]=3 5932 B12R0.101 CCCC(=O)OCN(C)CCON f7bdaf79cd4fbc7bfd02bd8821a50f4f [0,2,0,0,0,0|2,0,0]=4 5933 B12R0.101 CCCC(=O)OCN(C)CCSC 00b5529d2e7e98fbac10c4feede27647 [0,2,0,0,0,0|1,0,0]=3 5934 B12R0.101 CCCC(=S)OCC(=O)CCSC 4096f38224fee377d6a074cbcffb31dd [0,2,0,0,0,0|0,1,1]=4 5935 B12R0.101 CCCC(C)COC(C)CCOC 4bf9f97290d43f2e95c5399c84f17d1a [0,2,0,0,0,0|1,0,1]=4 5936 B12R0.101 CCCC(C)COC(C)CCSC 12f58d2db1bd120447f27981b2a0f112 [0,2,0,0,0,0|1,0,1]=4 5937 B12R0.101 CCCC(C)COC(C)COCC 5cbbdd884968ab73a2e4b9ed69d32665 [0,2,0,0,0,0|1,0,1]=4 5938 B12R0.101 CCCC(C)NCC(=O)CCSC 678602abc08d814f4247b31ab252849f [0,2,0,0,0,0|2,0,0]=4 5939 B12R0.101 CCCC(C)OCC(=O)CCSC 8ddccbda482b9ff8cc7c2866ca3f2bf3 [0,2,0,0,0,0|2,0,0]=4 5940 B12R0.101 CCCC(O)CNC(=O)CCC#N 473250534b9d3a1816bbf3fcb8beabee [0,2,0,0,0,0|1,0,1]=4 5941 B12R0.101 CCCC(O)CNC(=O)CCC=O 3a15c06586915bab067c962f87246ef0 [0,2,0,0,0,0|1,0,1]=4 5942 B12R0.101 CCCC(O)CNC(=O)CCCF 1d83b73b774d669ac7143c14c5c2ed7b [0,2,0,0,0,0|1,0,0]=3 5943 B12R0.101 CCCC(O)CNC(=O)CCCS 52fdce9ef4b64daf98324c8dc12bad64 [0,2,0,0,0,0|1,0,0]=3 5944 B12R0.101 CCCC(O)CNC(=O)CCOC e65b1eb279f9a92a1d1cbe18f85d3ac1 [0,2,0,0,0,0|1,0,0]=3 5945 B12R0.101 CCCC(O)CNC(=O)CCSC 6af26378a85589f08cbfc5b55d86746c [0,2,0,0,0,0|1,0,0]=3 5946 B12R0.101 CCCC(O)CNC(=O)COCC 2bff93bbfc07706496ce7bdb70e21d17 [0,2,0,0,0,0|1,0,0]=3 5947 B12R0.101 CCCC(O)CNC(=O)CSCC b67a67682e6d85c8b80a7202c8fb7d37 [0,2,0,0,0,0|1,0,0]=3 5948 B12R0.101 CCCC(O)CNC(=O)CSSC 333e6253d4233aa78f21c3a9b1cf1977 [0,2,0,0,0,0|2,0,0]=4 5949 B12R0.101 CCCC(O)CNC(=O)NCCF 893c6796361598eeb9723474a3635339 [0,2,0,0,0,0|2,0,0]=4 5950 B12R0.101 CCCC(O)CNC(=O)NCCN f794c95a3bb6b4889e719659064c64a4 [0,2,0,0,0,0|2,0,0]=4 5951 B12R0.101 CCCC(O)CNC(=O)NCCO 4383914b98f382801c0ffce0fe00e07f [0,2,0,0,0,0|2,0,0]=4 5952 B12R0.101 CCCC(O)CNC(=O)NCCS 1a6e53f8022048903002a34ff070f95a [0,2,0,0,0,0|2,0,0]=4 5953 B12R0.101 CCCCC(=O)NCC(C)CCO 6bd9d664f33e85f1ce6e2041f2b175df [0,2,0,0,0,0|2,0,0]=4 5954 B12R0.101 CCCCC(=O)NCC(C)OCC 2b9c0e901dd8721dd96f40cb55e76dac [0,2,0,0,0,0|2,0,0]=4 5955 B12R0.101 CCCCC(=O)NCC(O)CCC cc2f1e28246c7e8e1de091afdced28b4 [0,2,0,0,0,0|1,0,0]=3 5956 B12R0.101 CCCCC(=O)NCC(O)COC 2e6679a1eaceec29f9bed6f8e4f54fb7 [0,2,0,0,0,0|2,0,0]=4 5957 B12R0.101 CCCCC(=O)NC[C@H](O)COC 5d08c3f5947b9578d62dd3a6bed68f1c [0,2,0,0,0,0|2,0,0]=4 5958 B12R0.101 CCCCC(=O)OCN(C)CCC 88d404fc15f032c8252199b241a58a86 [0,2,0,0,0,0|1,0,0]=3 5959 B12R0.101 CCCCC(=O)OCN(C)CCF 3f6ac56c2eceb553dd0cbf3aeac2d0f0 [0,2,0,0,0,0|2,0,0]=4 5960 B12R0.101 CCCCC(=O)OCN(C)CCO 6c11e5b9fc3201d54b7f1304b9a548a5 [0,2,0,0,0,0|2,0,0]=4 5961 B12R0.101 CCCCC(C)COC(C)CCC ff28859038a100332933adb071ad9b46 [0,2,0,0,0,0|1,0,1]=4 5962 B12R0.101 CCCCC(C)NCC(=O)CCC 852209e1badda00956d06d4203171844 [0,2,0,0,0,0|1,0,0]=3 5963 B12R0.101 CCCCC(C)NCC(=O)COC 4f9dbd50ecb43c9c0815d6932b7f134c [0,2,0,0,0,0|2,0,0]=4 5964 B12R0.101 CCCCC(C)NCC(=O)NCC 440ff2e284fcb9583e85a05290ba6947 [0,2,0,0,0,0|2,0,0]=4 5965 B12R0.101 CCCCC(C)NCC(=O)OCC d154861d7f7c44c40eadfe4aed771c8b [0,2,0,0,0,0|2,0,0]=4 5966 B12R0.101 CCCCC(C)OCC(=O)CCC 5d2d6a3b62905faebc611bd3061585ff [0,2,0,0,0,0|0,0,0]=2 5967 B12R0.101 CCCCC(C)OCC(=O)COC a96c59be4867ab33cdf32c36dc63e3a5 [0,2,0,0,0,0|1,0,0]=3 5968 B12R0.101 CCCCC(C)OCC(=O)NCC bd143ab9f6940de3231d57933e4c2176 [0,2,0,0,0,0|1,0,0]=3 5969 B12R0.101 CCCCC(C)OCC(=O)OCC 88d09e5d48ec2304220914552512da91 [0,2,0,0,0,0|1,0,0]=3 5970 B12R0.101 CCCCC(C)OCC(C)CCC 8794199af3787e1db5439064848177d5 [0,2,0,0,0,0|1,0,1]=4 5971 B12R0.101 CCCCC(O)CNC(=O)CCC c20e00c1f46f1480bcaaae25aa1b5e2b [0,2,0,0,0,0|1,0,0]=3 5972 B12R0.101 CCCCC(O)CNC(=O)CCF 918d1c877afcc197669e2c70530ae5b3 [0,2,0,0,0,0|2,0,0]=4 5973 B12R0.101 CCCCC(O)CNC(=O)CCO 289b3c3072cb519f46f72acf626d8264 [0,2,0,0,0,0|2,0,0]=4 5974 B12R0.101 CCCCC(O)CNC(=O)CCS 1c84bdacbd46cf5d8a0b2cdd7219ef2f [0,2,0,0,0,0|2,0,0]=4 5975 B12R0.101 CCCCC(O)CNC(=O)COC 78409a4952b18f04f09014f83b7ec125 [0,2,0,0,0,0|2,0,0]=4 5976 B12R0.101 CCCCC(O)CNC(=O)CSC a2d700f02240c3e6c0944d8c048667ee [0,2,0,0,0,0|2,0,0]=4 5977 B12R0.101 CCCCN(C)CCC(=O)NCC a07cc1288ad35664f7973cbb9c83aef2 [0,2,0,0,0,0|2,0,0]=4 5978 B12R0.101 CCCCN(C)CCC(=O)OCC d11046c5fd50c7b17ee622a22cc7e617 [0,2,0,0,0,0|2,0,0]=4 5979 B12R0.101 CCCCN(C)COC(=O)CCC 0460f4ae494da9dca9fc21dc9436b249 [0,2,0,0,0,0|0,0,0]=2 5980 B12R0.101 CCCCN(C)COC(=O)OCC 032b94772da4d236da90e97d98e73938 [0,2,0,0,0,0|1,0,0]=3 5981 B12R0.101 CCCCN(C)COC(=O)SCC 35cbd3dc9eeb59ddbff491e4fcf92a5a [0,2,0,0,0,0|1,0,0]=3 5982 B12R0.101 CCCC[C@@H](C)NCC(=O)CCC 1ca8ec85f0a5e572a9e025767576808a [0,2,0,0,0,0|1,0,0]=3 5983 B12R0.101 CCCC[C@@H](C)NCC(=O)COC c08138e6f5ce67d56994f2b18ffa3aa0 [0,2,0,0,0,0|2,0,0]=4 5984 B12R0.101 CCCC[C@@H](C)NCC(=O)NCC 91fdcee8c7a432a1c847ce3899546fe8 [0,2,0,0,0,0|2,0,0]=4 5985 B12R0.101 CCCC[C@@H](C)NCC(=O)OCC 18c479395533d308ddd1815b7c3262db [0,2,0,0,0,0|2,0,0]=4 5986 B12R0.101 CCCC[C@@H](C)OCC(=O)CCC 1657e0e605daf680e2d860ccfccab07d [0,2,0,0,0,0|0,0,0]=2 5987 B12R0.101 CCCC[C@@H](C)OCC(=O)COC a236b4263eb86ebb2730bce8878b3d43 [0,2,0,0,0,0|1,0,0]=3 5988 B12R0.101 CCCC[C@@H](C)OCC(=O)NCC 7ad7e720407ed4a0a669984440023c19 [0,2,0,0,0,0|1,0,0]=3 5989 B12R0.101 CCCC[C@@H](C)OCC(=O)OCC f25b95625d8374ac06d4f2798e658eba [0,2,0,0,0,0|1,0,0]=3 5990 B12R0.101 CCCC[C@@H](C)OCC(C)CCC 97d28759da41e056a14068c6f08c9a7f [0,2,0,0,0,0|1,0,1]=4 5991 B12R0.101 CCCC[C@H](C)OCC(=O)CCC 43e31ff4a89156d5f12c5570c7cb7e5d [0,2,0,0,0,0|0,0,0]=2 5992 B12R0.101 CCCC[C@H](C)OCC(=O)COC dc200b8fcfe295999bc7b6e14b885c05 [0,2,0,0,0,0|1,0,0]=3 5993 B12R0.101 CCCC[C@H](C)OCC(=O)NCC 5a5bbddfc3fa14ca9a226c7204dccb73 [0,2,0,0,0,0|1,0,0]=3 5994 B12R0.101 CCCC[C@H](C)OCC(=O)OCC 244f173b700a3c32798f0355652dceda [0,2,0,0,0,0|1,0,0]=3 5995 B12R0.101 CCCC[C@H](C)OCC(C)CCC 8cc48b3def1d823d2a585b885b3f3b9b [0,2,0,0,0,0|1,0,1]=4 5996 B12R0.101 CCCNC(=O)CCC(=O)CCC d65621a6936762de8a28a9eec7be5e70 [0,2,0,0,0,0|1,0,1]=4 5997 B12R0.101 CCCNC(=O)CC[C@H](C)CCC d531a1b95b09d308f26eccca57db6560 [0,2,0,0,0,0|1,0,0]=3 5998 B12R0.101 CCCNC(=O)CNC(=O)CCC 021814496d72275d588e50e63217b97f [0,2,0,0,0,0|1,0,1]=4 5999 B12R0.101 CCCNC(=O)CNC(C)CCC f60152428978e4d4605eae27657ae096 [0,2,0,0,0,0|2,0,0]=4 6000 B12R0.101 CCCNC(=O)CN[C@@H](C)CCC 4e5327d918bfab34bf7aa269c1479c48 [0,2,0,0,0,0|2,0,0]=4 6001 B12R0.101 CCCNC(=O)COC(=S)CCC 31b052247216b61f69a6bafba0e3acfa [0,2,0,0,0,0|0,1,1]=4 6002 B12R0.101 CCCNC(=O)COC(C)CCC 16a860f874f6da707a6b941b57b8889c [0,2,0,0,0,0|2,0,0]=4 6003 B12R0.101 CCCNC(=O)CO[C@@H](C)CCC 32c3275d82b39d207ab6656fe32a7e76 [0,2,0,0,0,0|2,0,0]=4 6004 B12R0.101 CCCNC(=O)CO[C@H](C)CCC ff7e2fd5f3fdc5ee2af4afd074cbb8bd [0,2,0,0,0,0|2,0,0]=4 6005 B12R0.101 CCCNC(=O)NCC(C)CCO 18aea0bf2afe4357f6adc8b696b0df37 [0,2,0,0,0,0|2,0,0]=4 6006 B12R0.101 CCCNC(=O)NCC(C)OCC 0c72a6fa0a8de5f64e28a91bc39626a1 [0,2,0,0,0,0|2,0,0]=4 6007 B12R0.101 CCCNC(=O)NCC(O)CCC a5a8af2c6ba3d9895d02c3d8266fafd8 [0,2,0,0,0,0|1,0,0]=3 6008 B12R0.101 CCCNC(=O)NCC(O)COC 47b38987721ef72ae44c05f30aeddac0 [0,2,0,0,0,0|2,0,0]=4 6009 B12R0.101 CCCNC(=O)NC[C@H](O)COC 164aa61fa0671d136cdb59d4771dcb1c [0,2,0,0,0,0|2,0,0]=4 6010 B12R0.101 CCCNC(=S)NCC(O)CCC 13283e76e0a11f55005d89a70b2a2ad0 [0,2,0,0,0,0|1,1,0]=4 6011 B12R0.101 CCCNC(C)CCC(=O)OCC a09f5e61e6971a10e64ce3cdd941f9eb [0,2,0,0,0,0|2,0,0]=4 6012 B12R0.101 CCCOC(=O)CNC(C)CCC 746f183b42d85a347accbb81d0eb0800 [0,2,0,0,0,0|2,0,0]=4 6013 B12R0.101 CCCOC(=O)CN[C@@H](C)CCC d4cf9b1de02fd8ec729e20ec2db9f89a [0,2,0,0,0,0|2,0,0]=4 6014 B12R0.101 CCCOC(=O)COC(=S)CCC 796854fda9933326f14f0d4cb2dba154 [0,2,0,0,0,0|0,1,1]=4 6015 B12R0.101 CCCOC(=O)COC(C)CCC fddb2efa9c62def952a18283c19cd5c6 [0,2,0,0,0,0|2,0,0]=4 6016 B12R0.101 CCCOC(=O)CO[C@@H](C)CCC fc6f24d65b222cc1dd99460d89600c2b [0,2,0,0,0,0|2,0,0]=4 6017 B12R0.101 CCCOC(=O)CO[C@H](C)CCC 1710f81efb242596dffd6ea3c319eb94 [0,2,0,0,0,0|2,0,0]=4 6018 B12R0.101 CCCOC(=O)OCN(C)CCC 7eb7f182f538333a80024360ea39e0cb [0,2,0,0,0,0|1,0,0]=3 6019 B12R0.101 CCCOC(=O)OCN(C)CCF 0633ed5e04773252a9404c7484573c4f [0,2,0,0,0,0|2,0,0]=4 6020 B12R0.101 CCCOC(=O)OCN(C)CCO 08a51650f27c88df8d3d4387cc2d2950 [0,2,0,0,0,0|2,0,0]=4 6021 B12R0.101 CCCOC(C)CCC(=O)OCC 80399dde3c447b1750f028ff1651a970 [0,2,0,0,0,0|2,0,0]=4 6022 B12R0.101 CCC[C@@H](C)CCC(=O)NCCBr 34e6c0de5287a1d51a3697f4c1313a02 [0,2,0,0,0,0|2,0,0]=4 6023 B12R0.101 CCC[C@@H](C)CCC(=O)NCCF 118f60baa4650ac65ef257f34051f526 [0,2,0,0,0,0|2,0,0]=4 6024 B12R0.101 CCC[C@@H](C)CCC(=O)NCCI 22e88e46f0d7e2e14f0f563caa81d00f [0,2,0,0,0,0|2,0,0]=4 6025 B12R0.101 CCC[C@@H](C)CCC(=O)NCCO a565350b70a7bb449de1a9b5caca248b [0,2,0,0,0,0|2,0,0]=4 6026 B12R0.101 CCC[C@@H](C)CCC(=O)NCCS d2c41f0e646eb3644fd754f2f6f42b5b [0,2,0,0,0,0|2,0,0]=4 6027 B12R0.101 CCC[C@@H](C)OCC(=O)CCSC c7d0e5ccc2a4eb9d1385fbb07ed882a2 [0,2,0,0,0,0|2,0,0]=4 6028 B12R0.101 CCC[C@H](C)NCC(=O)CCSC ade27b68b219747790862648aed4b1d8 [0,2,0,0,0,0|2,0,0]=4 6029 B12R0.101 CCC[C@H](C)OCC(=O)CCSC fc0f5b970b81f56950fb6fb643fe63d6 [0,2,0,0,0,0|2,0,0]=4 6030 B12R0.101 CCNC(=O)COC(C)CCOC 68d83e86f9e53499fabe7088aea2a4bc [0,2,0,0,0,0|2,0,0]=4 6031 B12R0.101 CCNC(=O)COC(C)CCSC d8b57860c997989a297bd1e3bbe94510 [0,2,0,0,0,0|2,0,0]=4 6032 B12R0.101 CCNC(=O)COC(C)COCC cc7f4b0b4acac22f9c8fe1c2a82077bd [0,2,0,0,0,0|2,0,0]=4 6033 B12R0.101 CCOC(=O)COC(C)CCOC 541fc08204f97fe6d27c26ab51b9f824 [0,2,0,0,0,0|2,0,0]=4 6034 B12R0.101 CCOC(=O)COC(C)CCSC 2dfbc97cfeb1432e6b165cb0cc78e8e9 [0,2,0,0,0,0|2,0,0]=4 6035 B12R0.101 CCOC(=O)OCN(C)CCCO 906f665e32ee565c8f86b040a275c538 [0,2,0,0,0,0|2,0,0]=4 6036 B12R0.101 CCOC(=O)OCN(C)CCSC 5f9102e818894d31f62861636be3f25b [0,2,0,0,0,0|2,0,0]=4 6037 B12R0.101 CCOC(C)CNC(=O)CCCF 0c3b1107f9825585a15dc44af336cd6b [0,2,0,0,0,0|2,0,0]=4 6038 B12R0.101 CCOC(C)CNC(=O)CCCS 5c4795af261f7e37d1a238cd778be05c [0,2,0,0,0,0|2,0,0]=4 6039 B12R0.101 CCOC(C)CNC(=O)CCOC a3a8733c2b16246df29f444d1ee2b410 [0,2,0,0,0,0|2,0,0]=4 6040 B12R0.101 CCOC(C)CNC(=O)CCSC b1dde11e38b6e298077ed9e3008c9f5a [0,2,0,0,0,0|2,0,0]=4 6041 B12R0.101 CCOC(C)CNC(=O)CSCC c2d09d740fbe58083085f6862af49d11 [0,2,0,0,0,0|2,0,0]=4 6042 B12R0.101 CCOCC(=O)NCC(C)CCO c0f8054af2ec08a5bcfff72c548faea7 [0,2,0,0,0,0|2,0,0]=4 6043 B12R0.101 CCOCC(=O)NCC(C)OCC 3b55bffc94be62fa9088a10f6c14abc5 [0,2,0,0,0,0|2,0,0]=4 6044 B12R0.101 CCOCC(=O)NCC(O)COC 531a9cf78c229d430efa9f1c34434f7a [0,2,0,0,0,0|2,0,0]=4 6045 B12R0.101 CCOCC(=O)NC[C@H](O)COC aea98e75412627c1ebbc2e4a59c2c86a [0,2,0,0,0,0|2,0,0]=4 6046 B12R0.101 CCOCC(C)OCC(=O)COC 53dc714244c53a61ba8c49e402cfa19b [0,2,0,0,0,0|2,0,0]=4 6047 B12R0.101 CCOCC(C)OCC(=O)OCC b1b2ba83dfa2ad3a0ae9a820b7cf0741 [0,2,0,0,0,0|2,0,0]=4 6048 B12R0.101 CCOCC(O)CNC(=O)CCF c90a1f0162d68b11b4d43103a0e98e2e [0,2,0,0,0,0|2,0,0]=4 6049 B12R0.101 CCOCC(O)CNC(=O)CCO c46d7180b17bb6b293badc8a0838eb37 [0,2,0,0,0,0|2,0,0]=4 6050 B12R0.101 CCOCC(O)CNC(=O)CCS f99a9bddc869ac076f7b406a58b2d059 [0,2,0,0,0,0|2,0,0]=4 6051 B12R0.101 CCOCC(O)CNC(=O)COC e49ec8f3d0a13deeea405f9c63d9d137 [0,2,0,0,0,0|2,0,0]=4 6052 B12R0.101 CCOCC(O)CNC(=O)CSC 938b06d77c2601d4f2968340b6761af4 [0,2,0,0,0,0|2,0,0]=4 6053 B12R0.101 CCSC(=O)OCN(C)CCCO e68b0a45e29f6d80fb4af4126864dda0 [0,2,0,0,0,0|2,0,0]=4 6054 B12R0.101 CCSC(=O)OCN(C)CCOC 1cfde2f3aba1c56882fbf628da367436 [0,2,0,0,0,0|2,0,0]=4 6055 B12R0.101 CCSC(=O)OCN(C)CCSC 31eaa9944f243723f18cc01314255e65 [0,2,0,0,0,0|2,0,0]=4 6056 B12R0.101 CCSCC(=O)NCC(C)CCO ea33ecc9dfd3272b764a96a7257db3d6 [0,2,0,0,0,0|2,0,0]=4 6057 B12R0.101 CCSCC(=O)NCC(O)COC 3239b474fd4895fc811fb218a788699c [0,2,0,0,0,0|2,0,0]=4 6058 B12R0.101 CCSCC(=O)NC[C@H](O)COC 6bbead90be4684056599534531ae2d70 [0,2,0,0,0,0|2,0,0]=4 6059 B12R0.101 COCC(=O)NC[C@H](C)CCCO e0df2cc08096050e31243735b7dae839 [0,2,0,0,0,0|2,0,0]=4 6060 B12R0.101 COCC(O)CNC(=O)CCCF 021d7e61731350b7adb8d6a12efe4ab0 [0,2,0,0,0,0|2,0,0]=4 6061 B12R0.101 COCC(O)CNC(=O)CCCS d078740a628db9f89e2810f7a5197815 [0,2,0,0,0,0|2,0,0]=4 6062 B12R0.101 COCC(O)CNC(=O)CCSC e2f285c464830f8d5a24344ccc2d730f [0,2,0,0,0,0|2,0,0]=4 6063 B12R0.101 COCCC(=O)NCC(C)CCO 67e6ddf095fb3950c086f9cee31a1264 [0,2,0,0,0,0|2,0,0]=4 6064 B12R0.101 COCCC(=O)NCC(O)COC 6d05459e4fa53a40c78271b248456c4e [0,2,0,0,0,0|2,0,0]=4 6065 B12R0.101 COCCC(=O)NC[C@H](O)COC 861ae7de37c7ea4d835195ca8f3a2fe0 [0,2,0,0,0,0|2,0,0]=4 6066 B12R0.101 COCCC(C)OCC(=O)COC 578f07961b256324342405c2082310fa [0,2,0,0,0,0|2,0,0]=4 6067 B12R0.101 COC[C@@H](O)CNC(=O)CCCF 306d89511e74878931202db92f8d4885 [0,2,0,0,0,0|2,0,0]=4 6068 B12R0.101 COC[C@@H](O)CNC(=O)CCCS 70060324e00a9f20e94a097a46b244ca [0,2,0,0,0,0|2,0,0]=4 6069 B12R0.101 COC[C@@H](O)CNC(=O)CCSC 488652d9d809ac490fe472ffc437c4e1 [0,2,0,0,0,0|2,0,0]=4 6070 B12R0.101 CSCC(=O)NC[C@H](C)CCCO 92938544ce7a1ad46b6afcbf37f4f1e6 [0,2,0,0,0,0|2,0,0]=4 6071 B12R0.101 CSCCC(=O)NCC(C)CCO e15960c1e7abb892399d88f5f73473bf [0,2,0,0,0,0|2,0,0]=4 6072 B12R0.101 C[C@H](CCCO)CNC(=O)CCF 4396e18e665dcae66e188c1e4bdad1ad [0,2,0,0,0,0|2,0,0]=4 6073 B12R0.101 C[C@H](CCCO)CNC(=O)CCO 6a8f558e7fdaae731ce030571712f337 [0,2,0,0,0,0|2,0,0]=4 6074 B12R0.101 C[C@H](CCCO)CNC(=O)CCS 050f6d42fdd167e0b7a96e3b72faf292 [0,2,0,0,0,0|2,0,0]=4 6075 B12R0.114 C#CCC(O)C(=O)NCCCCC 6b46854edc99537e8fd67917a6c8da4f [0,2,0,0,0,0|1,0,1]=4 6076 B12R0.114 C=C(CCC)C(=O)NCCCCC 12f5f55db48ecee7d07cd9633e41e55d [0,2,0,0,0,0|1,0,0]=3 6077 B12R0.114 C=C(CCC)C(=O)NCCCCCl 1cc43a65d91b46b83b0148c311caf3ba [0,2,0,0,0,0|2,0,0]=4 6078 B12R0.114 C=C(CCC)C(=O)NCCCCO a5b9c87c2da525e881b1742af68d6416 [0,2,0,0,0,0|2,0,0]=4 6079 B12R0.114 C=C(CCC)C(=O)NCCCCS 78e741cf34e5471815f5acca8b18b02f [0,2,0,0,0,0|2,0,0]=4 6080 B12R0.114 C=C(CCC)C(=O)NCCCOC e94fcb2d4d08a42262fe178912427e7f [0,2,0,0,0,0|2,0,0]=4 6081 B12R0.114 C=C(CCC)C(=O)NCCCSC cfd4ab00991a2d6b3876771a7ab51346 [0,2,0,0,0,0|2,0,0]=4 6082 B12R0.114 C=C(CCC)C(=O)NCCOCC baea1d67a113f6a9c53c2a60bc5dd307 [0,2,0,0,0,0|2,0,0]=4 6083 B12R0.114 C=C(CCC)C(=O)NCCSCC 362588e9d7df1590c4313e7628cd57a1 [0,2,0,0,0,0|2,0,0]=4 6084 B12R0.114 C=C(CNCCCC)C(=O)OCC bdb096c05c192c479a6f0e91d44ac1b4 [0,2,0,0,0,0|2,0,0]=4 6085 B12R0.114 C=C(COC)C(=O)NCCCCC 8f11d67c54b6c28ce122e1dbc4ca5d31 [0,2,0,0,0,0|1,0,1]=4 6086 B12R0.114 C=C(COCCCC)C(=O)OCC 464e16d0f0761f971393a938ebec897e [0,2,0,0,0,0|2,0,0]=4 6087 B12R0.114 C=C(CSC)C(=O)NCCCCC a1f85f5aec263c44ae62571cd0bca11a [0,2,0,0,0,0|1,0,1]=4 6088 B12R0.114 C=CCCCCN(C)C(=O)CCC a1fba782a12a5da6ea1f607615b13154 [0,2,0,0,0,0|1,0,1]=4 6089 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 7b1e8bd7936c7a683ce1db9333212314 [0,2,0,0,0,0|1,0,1]=4 6090 B12R0.114 CCC=C(C)C(=O)NCCCCC 20d67e72dbce8598b2ab3131c5745d41 [0,2,0,0,0,0|1,0,1]=4 6091 B12R0.114 CCCC(=O)C(=O)NCCCCCl 32bd68b786138943602fe3840e129b49 [0,2,0,0,0,0|2,0,0]=4 6092 B12R0.114 CCCC(=O)C(=O)NCCCCO f940ff7b84a23985260db26f5781609b [0,2,0,0,0,0|2,0,0]=4 6093 B12R0.114 CCCC(=O)C(=O)NCCCCS 025fa1542726997d83d6c2359cab73b4 [0,2,0,0,0,0|2,0,0]=4 6094 B12R0.114 CCCC(=O)C(=O)NCCCOC 3b38ebf4f2b5b09bb01c15668c6478fb [0,2,0,0,0,0|2,0,0]=4 6095 B12R0.114 CCCC(=O)C(=O)NCCCSC 61ebf1beadcf29290a7cc3604063dacb [0,2,0,0,0,0|2,0,0]=4 6096 B12R0.114 CCCC(=O)C(=O)NCCOCC 7b413ddf4264e4d201a7df3dfc452478 [0,2,0,0,0,0|2,0,0]=4 6097 B12R0.114 CCCC(=O)C(=O)NCCSCC 4091031b0a8f8bc7b7dc0028d0192e39 [0,2,0,0,0,0|2,0,0]=4 6098 B12R0.114 CCCC(=O)N(C)CCCCCO 1e8b032ea5a1b5f32beb4cd920ab1609 [0,2,0,0,0,0|1,0,0]=3 6099 B12R0.114 CCCC(=O)N(C)CCCCOC 8d69d8a4c90588db5230932f075aea9b [0,2,0,0,0,0|1,0,0]=3 6100 B12R0.114 CCCC(=O)N(C)CCOCCO 675caead86be32c02691b4a0b0161924 [0,2,0,0,0,0|2,0,0]=4 6101 B12R0.114 CCCC(O)C(=O)NCCCCCl 23b9f6bf728781254b357de7d5297a85 [0,2,0,0,0,0|2,0,0]=4 6102 B12R0.114 CCCC(O)C(=O)NCCCCO 39e752b468d62d4638ddeee6c58cdd18 [0,2,0,0,0,0|2,0,0]=4 6103 B12R0.114 CCCC(O)C(=O)NCCCCS 3a5e4d2e5df184b2c081bcddb973a531 [0,2,0,0,0,0|2,0,0]=4 6104 B12R0.114 CCCC(O)C(=O)NCCCOC 90f8a79482a2627d17f47fc7af55b5f2 [0,2,0,0,0,0|2,0,0]=4 6105 B12R0.114 CCCC(O)C(=O)NCCCSC bae18a32ee41a1f7e7a0b3a8c567d3db [0,2,0,0,0,0|2,0,0]=4 6106 B12R0.114 CCCC(O)C(=O)NCCOCC 5f031c032811e79b799a340463ce096e [0,2,0,0,0,0|2,0,0]=4 6107 B12R0.114 CCCC(O)C(=O)NCCSCC cece07dbd8f61d5c0b7777073b87c12b [0,2,0,0,0,0|2,0,0]=4 6108 B12R0.114 CCCC/C=C/C(=O)N(C)CCC 9b19fc22b2711dc68c806c76748a2303 [0,2,0,0,0,0|1,0,1]=4 6109 B12R0.114 CCCCC#CC(=O)N(C)CCC 17da66317806754fe42a877b81320959 [0,2,0,0,0,0|1,0,1]=4 6110 B12R0.114 CCCCC=CC(=O)N(C)CCC 56bbe0443bc08dfd8e369f15dacfef26 [0,2,0,0,0,0|1,0,1]=4 6111 B12R0.114 CCCCCCC(=O)N(C)CCC 82cc5c9eb8a9cae40afed1798a78601a [0,2,0,0,0,0|1,0,0]=3 6112 B12R0.114 CCCCCCC(=O)N(C)CCF 22b4990569d453b7312992f217b75a87 [0,2,0,0,0,0|2,0,0]=4 6113 B12R0.114 CCCCCCC(=O)N(C)CCO 06ec9b6faf4d5aa7847ecc6d3adee2dd [0,2,0,0,0,0|2,0,0]=4 6114 B12R0.114 CCCCCCN(C)C(=O)CCC 82617a20b6b1ff5cb831b764a82a5141 [0,2,0,0,0,0|1,0,0]=3 6115 B12R0.114 CCCCCCN(C)C(=O)CCF 568d3d8fd1a2dec8e3922089bbc9a16c [0,2,0,0,0,0|2,0,0]=4 6116 B12R0.114 CCCCCCN(C)C(=O)CCO 36ac09b199806bdf4116bcfce67d0622 [0,2,0,0,0,0|2,0,0]=4 6117 B12R0.114 CCCCCCN(C)C(=O)CCS aa18470658bd0f7d27b7bcc623e0fc13 [0,2,0,0,0,0|2,0,0]=4 6118 B12R0.114 CCCCCCN(C)C(=O)COC ebead606626c9ca5edbc8a39612582f1 [0,2,0,0,0,0|2,0,0]=4 6119 B12R0.114 CCCCCCN(C)C(=O)CSC da63bd4f3f8081d4ccbbe1572e477563 [0,2,0,0,0,0|2,0,0]=4 6120 B12R0.114 CCCCCNC(=O)C(=O)CCC 48952cafc2751de5911915e179bcaa20 [0,2,0,0,0,0|1,0,0]=3 6121 B12R0.114 CCCCCNC(=O)C(=O)NCC e6c6af9723e371f661c0dd91073a5a7b [0,2,0,0,0,0|1,0,1]=4 6122 B12R0.114 CCCCCNC(=O)C(=O)OCC e6aaafe64f009d3f596470e19f26b2ea [0,2,0,0,0,0|1,0,1]=4 6123 B12R0.114 CCCCCNC(=O)C(C)OCC ebd18bc1ab327be49271d95838f23924 [0,2,0,0,0,0|1,0,0]=3 6124 B12R0.114 CCCCCNC(=O)C(C)SCC 44d880d1ccfabcf2ee9c20dd151e5ae2 [0,2,0,0,0,0|1,0,0]=3 6125 B12R0.114 CCCCCNC(=O)C(O)CCC 43466e53c70282100af78253aacbb998 [0,2,0,0,0,0|1,0,0]=3 6126 B12R0.114 CCCCCNC(=O)C(O)CSC 9412d7fbe4c03f75bf67fd92c6137186 [0,2,0,0,0,0|1,0,0]=3 6127 B12R0.114 CCCCCNC(=O)N(C)CCC 9d3d82fab3a05b22cff4bbffff7a0721 [0,2,0,0,0,0|1,0,0]=3 6128 B12R0.114 CCCCCNC(=O)N(C)CCF 01d5c06797650dc5275a53d7ed46c781 [0,2,0,0,0,0|2,0,0]=4 6129 B12R0.114 CCCCCNC(=O)N(C)CCO 70d42a0756a3bde2dc25aa38f3ef1d20 [0,2,0,0,0,0|2,0,0]=4 6130 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 126a01baa38526ca0c5d75c773791486 [0,2,0,0,0,0|1,0,0]=3 6131 B12R0.114 CCCCCNC(=O)[C@H](C)NOC b649c19d95f5338e143d8187bbb90582 [0,2,0,0,0,0|2,0,0]=4 6132 B12R0.114 CCCCCNC(=O)[C@H](O)CCC 3dcee0f9908373d031a17ff48e46a6ec [0,2,0,0,0,0|1,0,0]=3 6133 B12R0.114 CCCCCNC(=S)N(C)CCC 3ec41230782470752e9ac6d04ff48216 [0,2,0,0,0,0|1,1,0]=4 6134 B12R0.114 CCCCCNC(C)C(=O)NCC be3bf4629c21e253efca5b1114d2d4be [0,2,0,0,0,0|2,0,0]=4 6135 B12R0.114 CCCCCNC(C)C(=O)OCC 3785fce7315e414e506f5130ebb67d62 [0,2,0,0,0,0|2,0,0]=4 6136 B12R0.114 CCCCCNC(F)C(=O)OCC b8e80adf1073243fe1f734942a333ca7 [0,2,0,0,0,0|2,0,0]=4 6137 B12R0.114 CCCCCN[C@@H](C)C(=O)NCC af787f413b0bb327023340c900d8526b [0,2,0,0,0,0|2,0,0]=4 6138 B12R0.114 CCCCCN[C@@H](C)C(=O)OCC c7f4e55084570aa1cce809b77bce8036 [0,2,0,0,0,0|2,0,0]=4 6139 B12R0.114 CCCCCN[C@H](C)C(=O)OCC a24059cb9add842fca80ae9f6810660c [0,2,0,0,0,0|2,0,0]=4 6140 B12R0.114 CCCCCOC(C)C(=O)NCC 3fa26f00a82e792ab9094d1e6878dc73 [0,2,0,0,0,0|1,0,0]=3 6141 B12R0.114 CCCCCOC(C)C(=O)OCC 335e8c9b53551502c13a5fe3deb700c4 [0,2,0,0,0,0|1,0,0]=3 6142 B12R0.114 CCCCCOC(F)C(=O)OCC 65558d7815ff39c2a1969271c6caec47 [0,2,0,0,0,0|1,0,0]=3 6143 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 9ece7363f599744d22835632a63d883e [0,2,0,0,0,0|1,0,0]=3 6144 B12R0.114 CCCCCO[C@H](C)C(=O)OCC 9d0260df56d078deec2beb0d353e8ed3 [0,2,0,0,0,0|1,0,0]=3 6145 B12R0.114 CCCCNCC(C)C(=O)OCC 80cb13a18752455935c9666635bc1e40 [0,2,0,0,0,0|2,0,0]=4 6146 B12R0.114 CCCCNCC(O)C(=O)OCC efb8efbe01b0264539322da855e13088 [0,2,0,0,0,0|2,0,0]=4 6147 B12R0.114 CCCCOCC(=O)N(C)CCC f3d572ae4687b53f7a89d2356aacfe8f [0,2,0,0,0,0|2,0,0]=4 6148 B12R0.114 CCCCOCC(C)C(=O)OCC a345568f72f5364a68bdd986222b4cfc [0,2,0,0,0,0|2,0,0]=4 6149 B12R0.114 CCCCSCC(=O)N(C)CCC fa9c58bdc18d4c854bf15cda2dee227f [0,2,0,0,0,0|2,0,0]=4 6150 B12R0.114 CCCN(C)C(=O)CCCCCF 752840df8bb8c19a167bf1bda29ad04a [0,2,0,0,0,0|2,0,0]=4 6151 B12R0.114 CCCN(C)C(=O)CCCCCO 1025f0d940c211b7c429ff8f31520202 [0,2,0,0,0,0|2,0,0]=4 6152 B12R0.114 CCCN(C)C(=O)CCCCCS ae1a8ef6b368fc2dc30e25ad9a0a818f [0,2,0,0,0,0|2,0,0]=4 6153 B12R0.114 CCCN(C)C(=O)NCCCCN 2eb90cfb5794e622ce2e0b95f9e94d9b [0,2,0,0,0,0|2,0,0]=4 6154 B12R0.114 CCCN(C)C(=O)NCCCCO d681b1d33627113361fe034e55d42601 [0,2,0,0,0,0|2,0,0]=4 6155 B12R0.114 CCCN(C)C(=O)NCCCCS fea11b6d3aca882e56f3be4c4039a33e [0,2,0,0,0,0|2,0,0]=4 6156 B12R0.114 CCCN(C)C(=O)NCCCOC bbe2c66c318a1f4df9230eca1ad734a2 [0,2,0,0,0,0|2,0,0]=4 6157 B12R0.114 CCCN(C)C(=O)NCCCSC 863704fcf8185b52542bba6d1292aece [0,2,0,0,0,0|2,0,0]=4 6158 B12R0.114 CCCN(C)C(=O)NCCOCC bfd67d00a0d2d6bf1be4ecf23b8712cd [0,2,0,0,0,0|2,0,0]=4 6159 B12R0.114 CCCN(C)C(=O)NCCSCC 2bb4f708931dc140c6957fe8e2a15f3a [0,2,0,0,0,0|2,0,0]=4 6160 B12R0.114 CCCOCCC(=O)N(C)CCC 19fb3351ae983404dce5e79a93f03d01 [0,2,0,0,0,0|2,0,0]=4 6161 B12R0.114 CCC[C@@H](O)C(=O)NCCCCCl 50814b950ee6c46a5f5e8714ddf802b4 [0,2,0,0,0,0|2,0,0]=4 6162 B12R0.114 CCC[C@@H](O)C(=O)NCCCCO b1cefbdeaeba39577344c34acb4cc165 [0,2,0,0,0,0|2,0,0]=4 6163 B12R0.114 CCC[C@@H](O)C(=O)NCCCCS ca62d72a5249d2e076da15537b86b331 [0,2,0,0,0,0|2,0,0]=4 6164 B12R0.114 CCC[C@@H](O)C(=O)NCCCOC 06b638451ad94b081b36727685c3b9d0 [0,2,0,0,0,0|2,0,0]=4 6165 B12R0.114 CCC[C@@H](O)C(=O)NCCCSC c6126877dfaf7c66fc5b203d73673fd9 [0,2,0,0,0,0|2,0,0]=4 6166 B12R0.114 CCC[C@@H](O)C(=O)NCCOCC 5aa7339400a4b3f04ff444c233ed6009 [0,2,0,0,0,0|2,0,0]=4 6167 B12R0.114 CCC[C@@H](O)C(=O)NCCSCC bc94a83104229705eb6c54a2db16db48 [0,2,0,0,0,0|2,0,0]=4 6168 B12R0.114 CCC[C@H](O)C(=O)NCCCCCl 0fe063ae1138f4f455a7a38c8245fbe4 [0,2,0,0,0,0|2,0,0]=4 6169 B12R0.114 CCC[C@H](O)C(=O)NCCCCO 653812ed571d322d6ad763178065d33a [0,2,0,0,0,0|2,0,0]=4 6170 B12R0.114 CCC[C@H](O)C(=O)NCCCCS 0f14a0f75ef7172a68bbc1fc944124a2 [0,2,0,0,0,0|2,0,0]=4 6171 B12R0.114 CCC[C@H](O)C(=O)NCCCOC 62afe8decaf7df9b2b0af77a1e13ceb4 [0,2,0,0,0,0|2,0,0]=4 6172 B12R0.114 CCC[C@H](O)C(=O)NCCCSC 93a1412264114f3dff0334d789d399c0 [0,2,0,0,0,0|2,0,0]=4 6173 B12R0.114 CCC[C@H](O)C(=O)NCCOCC 2cb5e905bda30d9f11aff114fb920e98 [0,2,0,0,0,0|2,0,0]=4 6174 B12R0.114 CCC[C@H](O)C(=O)NCCSCC 6945d0c9b2ad255f83cd37a6441d84c5 [0,2,0,0,0,0|2,0,0]=4 6175 B12R0.114 CCNC(=O)C(C)OCCCCF 01d6eee0be729268b52d22f6c4e016f0 [0,2,0,0,0,0|2,0,0]=4 6176 B12R0.114 CCNC(=O)C(C)OCCCCS 628f66d1b481e8b8f9904d824054693e [0,2,0,0,0,0|2,0,0]=4 6177 B12R0.114 CCNC(=O)C(C)OCCCOC 03ce0431bf186839291f978afd03a8ca [0,2,0,0,0,0|2,0,0]=4 6178 B12R0.114 CCNC(=O)C(C)OCCCSC 1a8c0e3d14d763875c2cf667c9f3479a [0,2,0,0,0,0|2,0,0]=4 6179 B12R0.114 CCNC(=O)C(C)OCCOCC ae3514704244d4632833d131eb88f626 [0,2,0,0,0,0|2,0,0]=4 6180 B12R0.114 CCNC(=O)C(C)OCCSCC be81434d92a0c493d947939ee04fa789 [0,2,0,0,0,0|2,0,0]=4 6181 B12R0.114 CCOC(=O)C(C)OCCCCF e42f34a42f60afa818b1b05b5d11d2b6 [0,2,0,0,0,0|2,0,0]=4 6182 B12R0.114 CCOC(=O)C(C)OCCCCS 2dac43c33f518f53d2c5bf020a6d8308 [0,2,0,0,0,0|2,0,0]=4 6183 B12R0.114 CCOC(=O)C(C)OCCCOC 1f3a71cba63e56381ea2cf3e0058975e [0,2,0,0,0,0|2,0,0]=4 6184 B12R0.114 CCOC(=O)C(C)OCCCSC 9f600fd8569ca3d754360216a4d03bc9 [0,2,0,0,0,0|2,0,0]=4 6185 B12R0.114 CCOC(=O)C(C)OCCSCC 0097624f4b2cc56de46be294af9b9e45 [0,2,0,0,0,0|2,0,0]=4 6186 B12R0.114 CCOC(=O)C(F)OCCCCF 8845d6023c870d9e2a61a7012b44ff64 [0,2,0,0,0,0|2,0,0]=4 6187 B12R0.114 CCOC(=O)C(F)OCCCCS d0b5c4528493096cd8a710e46477206c [0,2,0,0,0,0|2,0,0]=4 6188 B12R0.114 CCOC(=O)C(F)OCCCOC 0b669b0f1d2893c9a140d059b35829a4 [0,2,0,0,0,0|2,0,0]=4 6189 B12R0.114 CCOC(=O)C(F)OCCCSC a99aefd913d5b883f9ebe754dd83ddb2 [0,2,0,0,0,0|2,0,0]=4 6190 B12R0.114 CCOC(=O)C(F)OCCSCC 392eb59d73cd82e877ac14c10d817b2a [0,2,0,0,0,0|2,0,0]=4 6191 B12R0.114 CCOC(=O)[C@@H](C)OCCCCF ee4a504e7edfe26f87d364ee7df3184b [0,2,0,0,0,0|2,0,0]=4 6192 B12R0.114 CCOC(=O)[C@@H](C)OCCCCS c9e579342c58258e9e93d8bc12e6e3ec [0,2,0,0,0,0|2,0,0]=4 6193 B12R0.114 CCOC(=O)[C@@H](C)OCCCOC 861c7347eb78734d83bb609703dad5a1 [0,2,0,0,0,0|2,0,0]=4 6194 B12R0.114 CCOC(=O)[C@@H](C)OCCCSC afa6c11b19185486dba96f898f371d33 [0,2,0,0,0,0|2,0,0]=4 6195 B12R0.114 CCOC(=O)[C@@H](C)OCCSCC 95816534e9139c0d8704a51b89229cc6 [0,2,0,0,0,0|2,0,0]=4 6196 B12R0.114 CCOC(=O)[C@H](C)OCCCCF a8eb81103ecdca62619b08d310d8c415 [0,2,0,0,0,0|2,0,0]=4 6197 B12R0.114 CCOC(=O)[C@H](C)OCCCCS ce10e2746e65ca5c149ea07882d96920 [0,2,0,0,0,0|2,0,0]=4 6198 B12R0.114 CCOC(=O)[C@H](C)OCCCOC fd4daa76ee84d57a0b1127643c908d93 [0,2,0,0,0,0|2,0,0]=4 6199 B12R0.114 CCOC(=O)[C@H](C)OCCCSC 63dac10844364236106cc03495e0929d [0,2,0,0,0,0|2,0,0]=4 6200 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7403a13dd0fa5626faf21ddb20384458 [0,2,0,0,0,0|2,0,0]=4 6201 B12R0.114 CCOC(C)C(=O)NCCCCCl 89aec6ad97cccb2ed0f06c5638ef35e5 [0,2,0,0,0,0|2,0,0]=4 6202 B12R0.114 CCOC(C)C(=O)NCCCCO f3c45907c66b43210497b739d651759e [0,2,0,0,0,0|2,0,0]=4 6203 B12R0.114 CCOC(C)C(=O)NCCCCS ed25b096c9e6c89a30a8d23cfe3c0873 [0,2,0,0,0,0|2,0,0]=4 6204 B12R0.114 CCOC(C)C(=O)NCCCOC 2a91488697f0080950002bd80e42a95f [0,2,0,0,0,0|2,0,0]=4 6205 B12R0.114 CCOC(C)C(=O)NCCCSC f815d67ec39fa0f6c086b534c66cd403 [0,2,0,0,0,0|2,0,0]=4 6206 B12R0.114 CCOC(C)C(=O)NCCSCC 29aaa54ae30d44c5f02318646bdcec70 [0,2,0,0,0,0|2,0,0]=4 6207 B12R0.114 CCOCCNC(=O)C(C)OCC ad10af7750bcbd6906a33231b89e077e [0,2,0,0,0,0|2,0,0]=4 6208 B12R0.114 CCOCCNC(=O)C(C)SCC eb80a524e5df5dc38c68d0ef9f39908a [0,2,0,0,0,0|2,0,0]=4 6209 B12R0.114 CCOCCNC(=O)C(O)CSC 574592c2ece55739d5afed05e810c6d7 [0,2,0,0,0,0|2,0,0]=4 6210 B12R0.114 CCOCCOC(C)C(=O)OCC 28dfb9cfed7baf4d8c85da54963250e2 [0,2,0,0,0,0|2,0,0]=4 6211 B12R0.114 CCOCCOC(F)C(=O)OCC 8aaa531983b21cb000db386a484bca12 [0,2,0,0,0,0|2,0,0]=4 6212 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 9e5d04e19d14efc0334ba928b62bf93f [0,2,0,0,0,0|2,0,0]=4 6213 B12R0.114 CCOCCO[C@H](C)C(=O)OCC 602b0769fed1b499dc316db1eb04b445 [0,2,0,0,0,0|2,0,0]=4 6214 B12R0.114 CCSC(C)C(=O)NCCCCCl 079866e7c62512e57205e113f9ab8edf [0,2,0,0,0,0|2,0,0]=4 6215 B12R0.114 CCSC(C)C(=O)NCCCCO d93028fd75450c7381260e184c8f538f [0,2,0,0,0,0|2,0,0]=4 6216 B12R0.114 CCSC(C)C(=O)NCCCCS 40e98079ad8ea1c7e2efd12742aa2d6e [0,2,0,0,0,0|2,0,0]=4 6217 B12R0.114 CCSC(C)C(=O)NCCCOC 56e6288b8a93ee3a94802172444aca46 [0,2,0,0,0,0|2,0,0]=4 6218 B12R0.114 CCSC(C)C(=O)NCCCSC e58971b6920564499d9f3aaecbe5ed09 [0,2,0,0,0,0|2,0,0]=4 6219 B12R0.114 CCSCCNC(=O)C(C)SCC 1e5899357092a6249a17cdbfaf09ee7f [0,2,0,0,0,0|2,0,0]=4 6220 B12R0.114 CCSCCNC(=O)C(O)CSC ad8d7f0733a334bfe3e56ae3e8b9eb11 [0,2,0,0,0,0|2,0,0]=4 6221 B12R0.114 CN(CCCCCO)C(=O)CCF 6677fda6d9871b03b64604072841a173 [0,2,0,0,0,0|2,0,0]=4 6222 B12R0.114 CN(CCCCCO)C(=O)CCO 3407337676f2ef96cc782f4c3fbaf7b0 [0,2,0,0,0,0|2,0,0]=4 6223 B12R0.114 CN(CCCCCO)C(=O)CCS 5c300c45cc5720aeab111fed39a2cd92 [0,2,0,0,0,0|2,0,0]=4 6224 B12R0.114 COCC(=O)N(C)CCCCCO df3cb11d80aa73b82d42d387c66b92c7 [0,2,0,0,0,0|2,0,0]=4 6225 B12R0.114 COCCCCN(C)C(=O)CCF 1a64492a080e80589bbde24b85cd9a7d [0,2,0,0,0,0|2,0,0]=4 6226 B12R0.114 COCCCCN(C)C(=O)CCO 40135379dfdf496a64c312a88343fd36 [0,2,0,0,0,0|2,0,0]=4 6227 B12R0.114 COCCCCN(C)C(=O)CCS 1e446542d0dbca4b55ac340406de8f95 [0,2,0,0,0,0|2,0,0]=4 6228 B12R0.114 COCCCCN(C)C(=O)COC 34d7f5dbb735bcd095ba4355f68d30c9 [0,2,0,0,0,0|2,0,0]=4 6229 B12R0.114 COCCCCN(C)C(=O)CSC cd2c1f23007d4f2f0206355ff96bd744 [0,2,0,0,0,0|2,0,0]=4 6230 B12R0.114 COCCCNC(=O)C(O)CSC d87d66b31e2f7a82decb38aa7f5a68f3 [0,2,0,0,0,0|2,0,0]=4 6231 B12R0.114 CSCC(=O)N(C)CCCCCO 53592e9f3873d14cb861592e47bbf3a4 [0,2,0,0,0,0|2,0,0]=4 6232 B12R0.114 CSCC(O)C(=O)NCCCCCl 7fe86dce1e74bf99af18091252035a82 [0,2,0,0,0,0|2,0,0]=4 6233 B12R0.114 CSCC(O)C(=O)NCCCCO b25155693176204a16bf41bb6d7f7038 [0,2,0,0,0,0|2,0,0]=4 6234 B12R0.114 CSCC(O)C(=O)NCCCCS 8698455e5ca3599d34ff0f6fa6213835 [0,2,0,0,0,0|2,0,0]=4 6235 B12R0.114 CSCCCNC(=O)C(O)CSC f961fc6925c343c16484972761fcba48 [0,2,0,0,0,0|2,0,0]=4 6236 B12R0.121 C#CC(CCC)OCCCCCC 3901f406578def9d4fa6e247282d1537 [0,2,0,0,0,0|1,0,1]=4 6237 B12R0.121 C#CC(CCC)OCCCCCF 283dbf9a8c755242ea8c0ad46873f4aa [0,2,0,0,0,0|1,0,1]=4 6238 B12R0.121 C#CC(CCC)OCCCCOC 74f4d9bd5b17148e9cb7090c61ba4be9 [0,2,0,0,0,0|1,0,1]=4 6239 B12R0.121 C#CC(CCC)OCCCOCC 573dc86d78cc74ce5db501b5c9309a2a [0,2,0,0,0,0|1,0,1]=4 6240 B12R0.121 C#CC(CCC)OCCCSCC 610f87def19ebb468d177a193bc3abdf [0,2,0,0,0,0|1,0,1]=4 6241 B12R0.121 C#CC(CCC)OCCOCCC 79c03b2ca33187432369f3aecb31964c [0,2,0,0,0,0|1,0,1]=4 6242 B12R0.121 C#CC(CCC)OCOCCCC 24b40dcdda70cf3c0762299939d23e6b [0,2,0,0,0,0|1,0,1]=4 6243 B12R0.121 C=CC(CCC)OCCCCCC c4056d838795fc9cb675427e6bb2ba31 [0,2,0,0,0,0|1,0,1]=4 6244 B12R0.121 C=CC(CCC)OCCCCCF b21971ec91e651e3edb1b96d18fb201c [0,2,0,0,0,0|1,0,1]=4 6245 B12R0.121 C=CC(CCC)OCCCCOC aa6900323a0e332da5836ff79a98518e [0,2,0,0,0,0|1,0,1]=4 6246 B12R0.121 C=CC(CCC)OCCCOCC 8616d36ae258387e1d72f041b6f310be [0,2,0,0,0,0|1,0,1]=4 6247 B12R0.121 C=CC(CCC)OCCCSCC a6f249188a3d49819e061883566915dd [0,2,0,0,0,0|1,0,1]=4 6248 B12R0.121 C=CC(CCC)OCCOCCC bfa1009d5792fe0e7d935d8d125acf9d [0,2,0,0,0,0|1,0,1]=4 6249 B12R0.121 C=CC(CCC)OCOCCCC 19d97246a4f48f19416ce9a717a55efc [0,2,0,0,0,0|1,0,1]=4 6250 B12R0.121 CCCC(C#N)OCCCCCF 2ac52d19f59b1a7e900e9c48851374e7 [0,2,0,0,0,0|1,0,1]=4 6251 B12R0.121 CCCC(C#N)OCCCCOC d8acd97717523b5728401a69bd1730cc [0,2,0,0,0,0|1,0,1]=4 6252 B12R0.121 CCCC(C#N)OCCCOCC a041f578aa9549595b6d35e46709505a [0,2,0,0,0,0|1,0,1]=4 6253 B12R0.121 CCCC(C#N)OCCCSCC da6f9e6ae2899b52a53f242cc4838939 [0,2,0,0,0,0|1,0,1]=4 6254 B12R0.121 CCCC(CC)OCCCCCF 4b0a9f46dfd626b543d0e88877b668bb [0,2,0,0,0,0|1,0,1]=4 6255 B12R0.121 CCCC(CC)OCCCCOC bf92572cc439d1291cad8843cde709a0 [0,2,0,0,0,0|1,0,1]=4 6256 B12R0.121 CCCC(CC)OCCCCSC d05799c9b1f090187670c72194b71b63 [0,2,0,0,0,0|1,0,1]=4 6257 B12R0.121 CCCC(CC)OCCCOCC ae7a93badfa44bfa1f2fb077bb71374b [0,2,0,0,0,0|1,0,1]=4 6258 B12R0.121 CCCC(CC)OCCCSCC b4c56a1949e8d0c14fcc271fab72905f [0,2,0,0,0,0|1,0,1]=4 6259 B12R0.121 CCCCCCOC(C#N)CCC 22423c3981db6c84bf7346e2f060d452 [0,2,0,0,0,0|1,0,1]=4 6260 B12R0.121 CCCCCCOC(CC)CCC 2ed1915b87372083a7b3a4f209decf64 [0,2,0,0,0,0|1,0,1]=4 6261 B12R0.121 CCCCCCO[C@H](CC)CCC fc1aa1aa384d79e1318dfffa16d60e85 [0,2,0,0,0,0|1,0,1]=4 6262 B12R0.121 CCCCCOCC(CC)CCC d01aaeaf47d381d583fd950b442cd26c [0,2,0,0,0,0|1,0,1]=4 6263 B12R0.121 CCCCOCOC(C#N)CCC b8aea6834cf836a694f55b312bb2b388 [0,2,0,0,0,0|1,0,1]=4 6264 B12R0.121 CCCCOCOC(CC)CCC faf6e3383d6c6d2262e6cc1cd3b6e87c [0,2,0,0,0,0|1,0,1]=4 6265 B12R0.121 CCCCOCO[C@H](CC)CCC 67d0230b195a93a9f401916918672a8c [0,2,0,0,0,0|1,0,1]=4 6266 B12R0.121 CCCOCCOC(C#N)CCC f2042af31b4f107f3ea6ecaf5b0eaa0a [0,2,0,0,0,0|1,0,1]=4 6267 B12R0.121 CCCOCCOC(CC)CCC acd90a21d8fd7ca0da96fc6c0915d035 [0,2,0,0,0,0|1,0,1]=4 6268 B12R0.121 CCCOCCO[C@H](CC)CCC 17a2bcd5272cccc3e7e9ed1543831c6c [0,2,0,0,0,0|1,0,1]=4 6269 B12R0.121 CCCSCCOC(CC)CCC 09f7f7650d5711212aaed61927fedc86 [0,2,0,0,0,0|1,0,1]=4 6270 B12R0.121 CCC[C@@H](CC)OCCCCCF a16b0794884f2ab33a25029dd092ed8c [0,2,0,0,0,0|1,0,1]=4 6271 B12R0.121 CCC[C@@H](CC)OCCCCOC d1ee10dd8c702245daa4f6d401640a99 [0,2,0,0,0,0|1,0,1]=4 6272 B12R0.121 CCC[C@@H](CC)OCCCOCC 25b02ea2817400d6d42e03b992479108 [0,2,0,0,0,0|1,0,1]=4 6273 B12R0.121 CCC[C@@H](CC)OCCCSCC 96bf8e22e48bca9f65e9e3409706faeb [0,2,0,0,0,0|1,0,1]=4 6274 B12R0.206 C#CCCC(=O)CCOCCCC 499d411553419b052d355d65fa89e035 [0,2,0,0,0,0|1,0,1]=4 6275 B12R0.206 C#CCCC(=O)NCCCCCC c25f02fbf73d626b149a3923ecf8a85e [0,2,0,0,0,0|1,0,1]=4 6276 B12R0.206 C#CCCC(=O)NCCCCCCl 70ccfb6fa3e46d983838ba0490369725 [0,2,0,0,0,0|1,0,1]=4 6277 B12R0.206 C#CCCC(=O)NCCCCCO ed85ac21aad50ca06f8ea148f2ae2f09 [0,2,0,0,0,0|1,0,1]=4 6278 B12R0.206 C#CCCC(=O)NCCCCOC 1f30035c5cc90b3925a988ab4d666478 [0,2,0,0,0,0|1,0,1]=4 6279 B12R0.206 C#CCCC(=O)NCCCCSC ec0684140bfc7794d0d48ef3f76b3017 [0,2,0,0,0,0|1,0,1]=4 6280 B12R0.206 C#CCCC(=O)NCCCOCC 877fab5cdbfb14a3bb828a152dcb2c44 [0,2,0,0,0,0|1,0,1]=4 6281 B12R0.206 C#CCCC(=O)NCCNCCC a09ecdfb7de724ed64dc3a0898394f99 [0,2,0,0,0,0|1,0,1]=4 6282 B12R0.206 C#CCCC(=O)NCCOCCC fb1cfc7bcb8ba34d9c60455882ae8224 [0,2,0,0,0,0|1,0,1]=4 6283 B12R0.206 C#CCCCCCC(=O)NCCC 01bf69a4fa4c4f5284ad335d1426172b [0,2,0,0,0,0|1,0,1]=4 6284 B12R0.206 C#CCCCCNC(=O)CCCC db132b322557b46407370753bebf96c9 [0,2,0,0,0,0|1,0,1]=4 6285 B12R0.206 C#CCCCCNC(=O)CCCF 151543bb3d22ba4175eb772dbfe812da [0,2,0,0,0,0|1,0,1]=4 6286 B12R0.206 C#CCCCCNC(=O)CCCS 0be3c2d40a5203d882e7b424c2f7afb6 [0,2,0,0,0,0|1,0,1]=4 6287 B12R0.206 C#CCCCCNC(=O)CCOC 0a76c43af7346ccac8090ea20481fcd5 [0,2,0,0,0,0|1,0,1]=4 6288 B12R0.206 C#CCCCCNC(=O)CCSC 25f7e942dc02a28c4480191000e1e3eb [0,2,0,0,0,0|1,0,1]=4 6289 B12R0.206 C#CCCCCNC(=O)COCC 9d3907c521c39ebc39f22293271bc4ce [0,2,0,0,0,0|1,0,1]=4 6290 B12R0.206 C#CCCCCNC(=O)CSCC 5c4b0fad44f86d32721940a79d77fe4c [0,2,0,0,0,0|1,0,1]=4 6291 B12R0.206 C#CCCCCNC(=O)NCCC 0803fea9f4ae41abd94479a91cccbfbb [0,2,0,0,0,0|1,0,1]=4 6292 B12R0.206 C#CCCCOCC(=O)CCSC 916735390523f34d1c820a1fa324f035 [0,2,0,0,0,0|0,0,2]=4 6293 B12R0.206 C#CCCCOCC(=O)NCCC 71c33630e2122260f33860dab4e65bdc [0,2,0,0,0,0|0,0,2]=4 6294 B12R0.206 C#CCCCOCC(=O)OCCC 79acff10e3ee391c6aea44fdbe37fa7d [0,2,0,0,0,0|0,0,2]=4 6295 B12R0.206 C#CCCNCOC(=O)CCCC 2fdf560c99c549e5d216714b82775010 [0,2,0,0,0,0|0,0,2]=4 6296 B12R0.206 C#CCCNCOC(=O)OCCC 318350ace6d7688bc5726ca8604b4f7d [0,2,0,0,0,0|0,0,2]=4 6297 B12R0.206 C#CCCOCOC(=O)CCCC 0fe9a50e8d177b1ea3c9b065d483f05d [0,2,0,0,0,0|0,0,2]=4 6298 B12R0.206 C#CCCOCOC(=O)OCCC a37e374f6ae9f7769aee60200e55541e [0,2,0,0,0,0|0,0,2]=4 6299 B12R0.206 C#CCNC(=O)COCCCCC 19a963a78f16e20057d95a11a58cdac3 [0,2,0,0,0,0|0,0,2]=4 6300 B12R0.206 C/C=C/CC(=O)NCCCCCC bde448a86bde6ddb2d7b353249e71a1d [0,2,0,0,0,0|1,0,1]=4 6301 B12R0.206 C/C=C/CC(=O)NCCCCCCl 8080062013d122064ea92811b7976ce0 [0,2,0,0,0,0|1,0,1]=4 6302 B12R0.206 C/C=C/CC(=O)NCCCCCO 0559313d3d1800d293f14c500b5660ae [0,2,0,0,0,0|1,0,1]=4 6303 B12R0.206 C/C=C/CC(=O)NCCCCOC 89a948f878072f139144bc942e1328a7 [0,2,0,0,0,0|1,0,1]=4 6304 B12R0.206 C/C=C/CC(=O)NCCCCSC 1a989b6f7dc69e22dc074aa01f38985b [0,2,0,0,0,0|1,0,1]=4 6305 B12R0.206 C/C=C/CC(=O)NCCCOCC 2800b634f7870c12c4b90ef3fea0c92b [0,2,0,0,0,0|1,0,1]=4 6306 B12R0.206 C/C=C/CC(=O)NCCOCCC 2f869decbd6d357be588973eaf7af4b3 [0,2,0,0,0,0|1,0,1]=4 6307 B12R0.206 C/C=C/CCOCC(=O)CCSC ff3ca98d63bcab4882ddf68a7b8f1373 [0,2,0,0,0,0|0,0,2]=4 6308 B12R0.206 C/C=C/CCOCC(=O)NCCC 1274e692c0653600c2cf37f7cb41c6a3 [0,2,0,0,0,0|0,0,2]=4 6309 B12R0.206 C/C=C/CCOCC(=O)OCCC 962c94b45bf359ac562a62b8b58bd89d [0,2,0,0,0,0|0,0,2]=4 6310 B12R0.206 C/C=C/COCOC(=O)CCCC d4041b9d4d7a72bae843be4c9919916d [0,2,0,0,0,0|0,0,2]=4 6311 B12R0.206 C/C=C/COCOC(=O)OCCC 93ae5696d43baa24e28e2d5ee07a8532 [0,2,0,0,0,0|0,0,2]=4 6312 B12R0.206 C/C=C\COCOC(=O)CCCC ce94c554d58b61f248a031f235ebd0c8 [0,2,0,0,0,0|0,0,2]=4 6313 B12R0.206 C/C=C\COCOC(=O)OCCC ae467fad0e8acd69276c93c11b93d991 [0,2,0,0,0,0|0,0,2]=4 6314 B12R0.206 C=C(COCCCCC)OCOC 0bae17c92eaf610ff0ef21bb907e0496 [0,2,0,0,0,0|2,0,0]=4 6315 B12R0.206 C=CCCC(=O)NCCCCCC 8406191e4b9ad7d977a55624246c6d5d [0,2,0,0,0,0|1,0,1]=4 6316 B12R0.206 C=CCCC(=O)NCCCCCCl 887c5bafbdd4ba409650183b3558af65 [0,2,0,0,0,0|1,0,1]=4 6317 B12R0.206 C=CCCC(=O)NCCCCCO 8fe0c435993e0d2865ea9ae145dd15d6 [0,2,0,0,0,0|1,0,1]=4 6318 B12R0.206 C=CCCC(=O)NCCCCOC f8f6011eabc4d926b63339915545ce76 [0,2,0,0,0,0|1,0,1]=4 6319 B12R0.206 C=CCCC(=O)NCCCCSC 266c6aa7a07256e51b22e0233dfdef02 [0,2,0,0,0,0|1,0,1]=4 6320 B12R0.206 C=CCCC(=O)NCCCOCC 5b9443eed9ace1daebc3d00dc8e3b5ff [0,2,0,0,0,0|1,0,1]=4 6321 B12R0.206 C=CCCC(=O)NCCOCCC 705664abbf1564ed7d3b282a6174169f [0,2,0,0,0,0|1,0,1]=4 6322 B12R0.206 C=CCCCCCC(=O)NCCC e359ca5b652420d1420c84090e381385 [0,2,0,0,0,0|1,0,1]=4 6323 B12R0.206 C=CCCCCNC(=O)CCCC 2cbe5fcec8c623502cf57bad7080bed0 [0,2,0,0,0,0|1,0,1]=4 6324 B12R0.206 C=CCCCCNC(=O)CCCF e67415fb9b9f646e7c9a7c813b656c56 [0,2,0,0,0,0|1,0,1]=4 6325 B12R0.206 C=CCCCCNC(=O)CCCS b819fb8b2f777b95eef6f1c76e967fc7 [0,2,0,0,0,0|1,0,1]=4 6326 B12R0.206 C=CCCCCNC(=O)CCOC c57590b9092e914b5cf5179dbb89d793 [0,2,0,0,0,0|1,0,1]=4 6327 B12R0.206 C=CCCCCNC(=O)CCSC 85d8bcc457e3a9bd6126c8d822dd9056 [0,2,0,0,0,0|1,0,1]=4 6328 B12R0.206 C=CCCCCNC(=O)COCC 60f07fcea29f75c3f80b2847c8f62be0 [0,2,0,0,0,0|1,0,1]=4 6329 B12R0.206 C=CCCCCNC(=O)CSCC 98de834fe52acc3a68318088d4cf4089 [0,2,0,0,0,0|1,0,1]=4 6330 B12R0.206 C=CCCCCNC(=O)NCCC 8f0262e938e23fbe7c7e2bd07480e1df [0,2,0,0,0,0|1,0,1]=4 6331 B12R0.206 C=CCCCOCC(=O)CCSC 3862538d5c3abd7b9c6c8d83dcbf3a03 [0,2,0,0,0,0|0,0,2]=4 6332 B12R0.206 C=CCCCOCC(=O)NCCC aff542e389ca96bc9a7b052be80c7ddd [0,2,0,0,0,0|0,0,2]=4 6333 B12R0.206 C=CCCCOCC(=O)OCCC 07e5ca9d361d2f19767972324924de91 [0,2,0,0,0,0|0,0,2]=4 6334 B12R0.206 C=CCCNCOC(=O)CCCC d8560d86695ba6273146c9c256702ecb [0,2,0,0,0,0|0,0,2]=4 6335 B12R0.206 C=CCCNCOC(=O)OCCC e011545c7402f7ecf27fe3d09b47ebea [0,2,0,0,0,0|0,0,2]=4 6336 B12R0.206 C=CCCOCOC(=O)CCCC b588515a83537c16b7e9e5ddd91b8095 [0,2,0,0,0,0|0,0,2]=4 6337 B12R0.206 C=CCCOCOC(=O)OCCC 2e6072fd7d8c11668b4e307045eebb15 [0,2,0,0,0,0|0,0,2]=4 6338 B12R0.206 C=CCNC(=O)COCCCCC 6a419f22d0052e169e2ff7d46de380dd [0,2,0,0,0,0|0,0,2]=4 6339 B12R0.206 C=CCOC(=O)COCCCCC b54153f4f28e3f1525c52d8945a68907 [0,2,0,0,0,0|0,0,2]=4 6340 B12R0.206 CC#CCC(=O)NCCCCCC 7b301376d0820256756d7f78635f0747 [0,2,0,0,0,0|1,0,1]=4 6341 B12R0.206 CC#CCC(=O)NCCCCCCl 04387175baf6d06f1a0b46c364c4171a [0,2,0,0,0,0|1,0,1]=4 6342 B12R0.206 CC#CCC(=O)NCCCCCO 89196ffd6851f9ea8fe74637b66789a9 [0,2,0,0,0,0|1,0,1]=4 6343 B12R0.206 CC#CCC(=O)NCCCCOC fd80850a0f47bb598227c7b6122da356 [0,2,0,0,0,0|1,0,1]=4 6344 B12R0.206 CC#CCC(=O)NCCCCSC 6130a94550c79a2775f43aa4e814dc9b [0,2,0,0,0,0|1,0,1]=4 6345 B12R0.206 CC#CCC(=O)NCCCOCC ef6a9276067f8420103f16f2291f5764 [0,2,0,0,0,0|1,0,1]=4 6346 B12R0.206 CC#CCC(=O)NCCOCCC d101af2f0d96f799e6322f5691d60f2a [0,2,0,0,0,0|1,0,1]=4 6347 B12R0.206 CC#CCCOCC(=O)CCSC b021d6aacf96f706f7106dfc7c3e0364 [0,2,0,0,0,0|0,0,2]=4 6348 B12R0.206 CC#CCCOCC(=O)NCCC 0f933d41a852d49c09bc930339c8fa70 [0,2,0,0,0,0|0,0,2]=4 6349 B12R0.206 CC#CCCOCC(=O)OCCC 8ed7d4bbb125a4e6131f994306658a47 [0,2,0,0,0,0|0,0,2]=4 6350 B12R0.206 CC#CCNCOC(=O)CCCC e25cd19a548d6e4a40ab14f30bc13113 [0,2,0,0,0,0|0,0,2]=4 6351 B12R0.206 CC#CCNCOC(=O)OCCC 485c4ea40c0c0f302792f08d169d4d7c [0,2,0,0,0,0|0,0,2]=4 6352 B12R0.206 CC#CCOCOC(=O)CCCC 02c009d1e0022a341a18149c807237cd [0,2,0,0,0,0|0,0,2]=4 6353 B12R0.206 CC#CCOCOC(=O)OCCC 53b58a8e5ad21b7f819a47cac66ff99c [0,2,0,0,0,0|0,0,2]=4 6354 B12R0.206 CC/C=C/C(=O)NCCCCCC 0ae15ea0c3e1227f52271a15cb9574cb [0,2,0,0,0,0|1,0,1]=4 6355 B12R0.206 CC/C=C/C(=O)NCCCCCCl 1cba487f460b09f1117d282504a3f081 [0,2,0,0,0,0|1,0,1]=4 6356 B12R0.206 CC/C=C/C(=O)NCCCCCO b86e40289aadda76aa3cbe3c0857311a [0,2,0,0,0,0|1,0,1]=4 6357 B12R0.206 CC/C=C/C(=O)NCCCCOC 5c5a3b1455cc5b829b8bf19c7dbc5493 [0,2,0,0,0,0|1,0,1]=4 6358 B12R0.206 CC/C=C/C(=O)NCCCCSC c1d7e06e841647504ae4a9ff573003c9 [0,2,0,0,0,0|1,0,1]=4 6359 B12R0.206 CC/C=C/C(=O)NCCCOCC b111194ca0ab4d8c523569b9281861bc [0,2,0,0,0,0|1,0,1]=4 6360 B12R0.206 CC/C=C/C(=O)NCCOCCC 478f48dcb3fd780550ceb865b553162e [0,2,0,0,0,0|1,0,1]=4 6361 B12R0.206 CC/C=C/COCC(=O)CCSC f6e46595108d373f6e2ef84488fdadb5 [0,2,0,0,0,0|0,0,2]=4 6362 B12R0.206 CC/C=C/COCC(=O)NCCC 99117867365771a6ee0d9c4b9dfa611f [0,2,0,0,0,0|0,0,2]=4 6363 B12R0.206 CC/C=C/COCC(=O)OCCC 148277ebe64a5aabc6b02ad4b47563d2 [0,2,0,0,0,0|0,0,2]=4 6364 B12R0.206 CC/C=C\C(=O)NCCCCCC 8353d9dd77ca4f6ada77e5a2bc3fdb7a [0,2,0,0,0,0|1,0,1]=4 6365 B12R0.206 CC/C=C\C(=O)NCCCCCCl 44da58920145d6e00cd9929feb8461d3 [0,2,0,0,0,0|1,0,1]=4 6366 B12R0.206 CC/C=C\C(=O)NCCCCCO 39169b8c7eb3c2f4295438dc946c7e27 [0,2,0,0,0,0|1,0,1]=4 6367 B12R0.206 CC/C=C\C(=O)NCCCCOC 9b5e239d8ecbc141a3cc94bd180cd0ef [0,2,0,0,0,0|1,0,1]=4 6368 B12R0.206 CC/C=C\C(=O)NCCCCSC 09c86987b305c9c4d560bb9371df6e9a [0,2,0,0,0,0|1,0,1]=4 6369 B12R0.206 CC/C=C\C(=O)NCCCOCC 9bf000f91e72a72a1ddb40833d3bfc11 [0,2,0,0,0,0|1,0,1]=4 6370 B12R0.206 CC/C=C\C(=O)NCCOCCC 2c1aa52933a35b8ff43b1a02c5396350 [0,2,0,0,0,0|1,0,1]=4 6371 B12R0.206 CC/C=C\COCC(=O)CCSC 8f891d725baab0bf0e7d2ffa48c7c5a8 [0,2,0,0,0,0|0,0,2]=4 6372 B12R0.206 CC/C=C\COCC(=O)NCCC 3e3952e3c631db51da9abfdfef94ecc3 [0,2,0,0,0,0|0,0,2]=4 6373 B12R0.206 CC/C=C\COCC(=O)OCCC 44307ea44b3c248be23eb8777239ebea [0,2,0,0,0,0|0,0,2]=4 6374 B12R0.206 CC=CCNCOC(=O)CCCC bb910e3b8eef0aa73be2872b396b0fcb [0,2,0,0,0,0|0,0,2]=4 6375 B12R0.206 CC=CCNCOC(=O)OCCC df63a5b0f0e125bb5788e8aa1d9e9991 [0,2,0,0,0,0|0,0,2]=4 6376 B12R0.206 CC=CCOCOC(=O)CCCC 2b9b4b0b4efb69d06c4587a4c54cfd46 [0,2,0,0,0,0|0,0,2]=4 6377 B12R0.206 CC=CCOCOC(=O)OCCC 2865c6e6422b8db3097a0a67397799c2 [0,2,0,0,0,0|0,0,2]=4 6378 B12R0.206 CCC#CC(=O)NCCCCCC ada9c64f0bee8fac9284992c4fe286c4 [0,2,0,0,0,0|1,0,1]=4 6379 B12R0.206 CCC#CC(=O)NCCCCCCl e47642ca48a0e364c21f54bfd8f5d90d [0,2,0,0,0,0|1,0,1]=4 6380 B12R0.206 CCC#CC(=O)NCCCCCO 984217d04c045907f271c83629f51094 [0,2,0,0,0,0|1,0,1]=4 6381 B12R0.206 CCC#CC(=O)NCCCCOC 5d16c62a9b96557cda01ab85fca10e53 [0,2,0,0,0,0|1,0,1]=4 6382 B12R0.206 CCC#CC(=O)NCCCCSC ffbcdc2fc825e02c4562295585bd1167 [0,2,0,0,0,0|1,0,1]=4 6383 B12R0.206 CCC#CC(=O)NCCCOCC 5e1b7640b78e11f79bd36a00250cb23e [0,2,0,0,0,0|1,0,1]=4 6384 B12R0.206 CCC#CC(=O)NCCOCCC 6c1a30fbadf6a3952d2eb714462b1424 [0,2,0,0,0,0|1,0,1]=4 6385 B12R0.206 CCC#CCOCC(=O)CCSC 54e834d5f74bae60d930c0f69418267b [0,2,0,0,0,0|0,0,2]=4 6386 B12R0.206 CCC#CCOCC(=O)NCCC b5a05f2897af743fe679974c868c9e3f [0,2,0,0,0,0|0,0,2]=4 6387 B12R0.206 CCC#CCOCC(=O)OCCC f8b7a48e2fc3a5dc902214288c37daff [0,2,0,0,0,0|0,0,2]=4 6388 B12R0.206 CCC/C=C/CCC(=O)NCCC 17e3c7580280fb58ca270138a5bcee72 [0,2,0,0,0,0|1,0,1]=4 6389 B12R0.206 CCC/C=C\CCC(=O)NCCC 57c13cab41f080ae0ca043de717f3601 [0,2,0,0,0,0|1,0,1]=4 6390 B12R0.206 CCC=CC(=O)NCCCCCC 13ff3a32fc5dcac22caca9b21b4d62d5 [0,2,0,0,0,0|1,0,1]=4 6391 B12R0.206 CCC=CC(=O)NCCCCCCl 63eac8337644e0aa55edf8882c0d16ea [0,2,0,0,0,0|1,0,1]=4 6392 B12R0.206 CCC=CC(=O)NCCCCCO 664eb37c530fca1a64092d1a39d64956 [0,2,0,0,0,0|1,0,1]=4 6393 B12R0.206 CCC=CC(=O)NCCCCOC fa7533635f0c2b2c12d32f0aee334d29 [0,2,0,0,0,0|1,0,1]=4 6394 B12R0.206 CCC=CC(=O)NCCCCSC 0d2772c21c3f48f5e78488a276ef8c5a [0,2,0,0,0,0|1,0,1]=4 6395 B12R0.206 CCC=CC(=O)NCCCOCC b46924b039266f54dd429efa0fcae4e9 [0,2,0,0,0,0|1,0,1]=4 6396 B12R0.206 CCC=CC(=O)NCCOCCC 7ce0e4ce6704995bd86dd7ab2a7c4fc7 [0,2,0,0,0,0|1,0,1]=4 6397 B12R0.206 CCCC/C=C/CC(=O)NCCC 7add7e2ffa91e9c8710b926d01cbc72c [0,2,0,0,0,0|1,0,1]=4 6398 B12R0.206 CCCCC#CCC(=O)NCCC 973a8b2e756c94f6536d9d6a04e20eab [0,2,0,0,0,0|1,0,1]=4 6399 B12R0.206 CCCCC(=O)NCCCCC#N 8a8c03388dfedfe37d1b0b58c712e9cd [0,2,0,0,0,0|1,0,1]=4 6400 B12R0.206 CCCCC(=O)NCCCCCCl dcdbba3f08bf0589d9296e6e29d70622 [0,2,0,0,0,0|1,0,0]=3 6401 B12R0.206 CCCCC(=O)NCCCCCO 708187ab56d55406ad6cd96937fc37bb [0,2,0,0,0,0|1,0,0]=3 6402 B12R0.206 CCCCC(=O)NCCCCOC c4313a1c3e6c2aebdb57cb893af968e7 [0,2,0,0,0,0|1,0,0]=3 6403 B12R0.206 CCCCC(=O)NCCCCSC 7eb15abe44572fb34f98eb85f223c298 [0,2,0,0,0,0|1,0,0]=3 6404 B12R0.206 CCCCC(=O)NCCCOCC 1ab2a8b6d814674961e457a217ed670b [0,2,0,0,0,0|1,0,0]=3 6405 B12R0.206 CCCCC(=O)NCCOCCC 6a024cb730827e4472b09220771d10fd [0,2,0,0,0,0|1,0,0]=3 6406 B12R0.206 CCCCC(=O)NCCOCCO fb5a87d9004d14d46c082a30e17aa6a2 [0,2,0,0,0,0|2,0,0]=4 6407 B12R0.206 CCCCC(=O)NCCOCCS 44cea7c89d0d6d6c982dd09890a5b8f2 [0,2,0,0,0,0|2,0,0]=4 6408 B12R0.206 CCCCC(=O)NCCSCCO bd125690773aaf407ed0ae754e92a98a [0,2,0,0,0,0|2,0,0]=4 6409 B12R0.206 CCCCC(=O)OCNCCC#N 5a84c06e7aff468a7b6758a14f05a7d4 [0,2,0,0,0,0|1,0,1]=4 6410 B12R0.206 CCCCC(=O)OCNCCCCl 2b82437783a22e441e7af4b857b75da5 [0,2,0,0,0,0|1,0,0]=3 6411 B12R0.206 CCCCC(=O)OCNCCCO a21688c02faef6a46a4d0fd1a2d1a399 [0,2,0,0,0,0|1,0,0]=3 6412 B12R0.206 CCCCC(=O)OCNCCOC a17bb70a03baa300c62dcd09166d8f5a [0,2,0,0,0,0|1,0,0]=3 6413 B12R0.206 CCCCC(=O)OCNCCON d5b3ccd782e6cfa2e5673ae899cf1398 [0,2,0,0,0,0|2,0,0]=4 6414 B12R0.206 CCCCC(=O)OCNCCSC f6e1e41007aefec042962bbd8a2d8ae5 [0,2,0,0,0,0|1,0,0]=3 6415 B12R0.206 CCCCC(=O)OCOCCC#N d4a3aebb4efebe3876a98d67a599c079 [0,2,0,0,0,0|1,0,1]=4 6416 B12R0.206 CCCCC(=O)OCOCCC=O 4f86a6435f742c6a9191d6219bbf58e0 [0,2,0,0,0,0|1,0,1]=4 6417 B12R0.206 CCCCC(=O)OCOCCCF 310538ecf4f81a7112815e982f334f02 [0,2,0,0,0,0|1,0,0]=3 6418 B12R0.206 CCCCC(=O)OCOCCCS bfb274ea145689aeed7fedbbe26273b5 [0,2,0,0,0,0|1,0,0]=3 6419 B12R0.206 CCCCC(=O)OCOCCOC 67464e6bcd00b2f399726c08cf6df997 [0,2,0,0,0,0|1,0,0]=3 6420 B12R0.206 CCCCC(=O)OCOCCSC c0956cf633ab54833b5339fa281db62d [0,2,0,0,0,0|1,0,0]=3 6421 B12R0.206 CCCCC(C)OCCCCCF bf04d3e0de7dcb90c8001ff3f6f7086d [0,2,0,0,0,0|1,0,1]=4 6422 B12R0.206 CCCCC(C)OCCCCOC 7afedb2db2f8c9a17f735be5c8490f9d [0,2,0,0,0,0|1,0,1]=4 6423 B12R0.206 CCCCC(C)OCCCCSC f9f969910220b3c1ffa53cd63b9948a4 [0,2,0,0,0,0|1,0,1]=4 6424 B12R0.206 CCCCC(C)OCCCOCC 1ab9408c03cf3f53e335e3510f64bc84 [0,2,0,0,0,0|1,0,1]=4 6425 B12R0.206 CCCCC(C)OCCCSCC c6fe2fd5a302a2381441e131228d16ff [0,2,0,0,0,0|1,0,1]=4 6426 B12R0.206 CCCCC(C)OCCOCCC 9d82b151ea3cb68e3b56c8b90601635d [0,2,0,0,0,0|1,0,1]=4 6427 B12R0.206 CCCCC(C)OCCSCCC 7fb386462bc88f8ca1ab0ed7b2778edc [0,2,0,0,0,0|1,0,1]=4 6428 B12R0.206 CCCCC/C=C/C(=O)NCCBr 2d86ad87dcba7433ab905eb4ee63721d [0,2,0,0,0,0|2,0,0]=4 6429 B12R0.206 CCCCC/C=C/C(=O)NCCC 228634eae84737332c0778e1f0951576 [0,2,0,0,0,0|1,0,0]=3 6430 B12R0.206 CCCCC/C=C/C(=O)NCCF 449fae9f7a807a6eb13c8efd8e7834d4 [0,2,0,0,0,0|2,0,0]=4 6431 B12R0.206 CCCCC/C=C/C(=O)NCCI 8e804df18898082efee8df9bb245d38c [0,2,0,0,0,0|2,0,0]=4 6432 B12R0.206 CCCCC/C=C/C(=O)NCCO 763a49a7c41cfb9f53f1b2abad8d3f5e [0,2,0,0,0,0|2,0,0]=4 6433 B12R0.206 CCCCC/C=C/C(=O)NCCS 87e9a313bd5ad5047689dabcbb274481 [0,2,0,0,0,0|2,0,0]=4 6434 B12R0.206 CCCCCC#CC(=O)NCCBr fc2e7c4c5814fc6b8dd52a21b3f06dd5 [0,2,0,0,0,0|2,0,0]=4 6435 B12R0.206 CCCCCC#CC(=O)NCCC 0714bb493c9de9fcb293f38363d2f976 [0,2,0,0,0,0|1,0,0]=3 6436 B12R0.206 CCCCCC#CC(=O)NCCF a6e7de0f933777c447bb11253df8f09b [0,2,0,0,0,0|2,0,0]=4 6437 B12R0.206 CCCCCC#CC(=O)NCCI 50eb05f111924eafd257e8b343518a71 [0,2,0,0,0,0|2,0,0]=4 6438 B12R0.206 CCCCCC#CC(=O)NCCO 4ebfa428bada6f0cdcd24392de810f9a [0,2,0,0,0,0|2,0,0]=4 6439 B12R0.206 CCCCCC#CC(=O)NCCS e13e0fffddbdcfc600157d95161282cb [0,2,0,0,0,0|2,0,0]=4 6440 B12R0.206 CCCCCCCC(=O)NCCBr aeb33913f692f8aeb2d88e85e8864d12 [0,2,0,0,0,0|2,0,0]=4 6441 B12R0.206 CCCCCCCC(=O)NCCC 803c3b5f65103b7f1c85f768d717c2f2 [0,2,0,0,0,0|1,0,0]=3 6442 B12R0.206 CCCCCCCC(=O)NCCF 5666ccc6ed2fb377267cd4664f7225c7 [0,2,0,0,0,0|2,0,0]=4 6443 B12R0.206 CCCCCCCC(=O)NCCI 6b13edd0735d1d59f96550bb7c54373a [0,2,0,0,0,0|2,0,0]=4 6444 B12R0.206 CCCCCCCC(=O)NCCO 59acf39a97659be39079e33de1548aab [0,2,0,0,0,0|2,0,0]=4 6445 B12R0.206 CCCCCCCC(=O)NCCS 3ddbaed3b0e1909b1a6b62a66497a6cb [0,2,0,0,0,0|2,0,0]=4 6446 B12R0.206 CCCCCCNC(=O)CCC#N 6fce8769372929f5f16b30f798ba34e2 [0,2,0,0,0,0|1,0,1]=4 6447 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [0,2,0,0,0,0|1,0,1]=4 6448 B12R0.206 CCCCCCNC(=O)CCCC 70acaae11b2c6b1fd45feafe6ffa5b78 [0,2,0,0,0,0|1,0,0]=3 6449 B12R0.206 CCCCCCNC(=O)CCCF 0e993041ca52f0859a511df998766182 [0,2,0,0,0,0|1,0,0]=3 6450 B12R0.206 CCCCCCNC(=O)CCCS d10e075b1852f7856eaccec0857dcaaa [0,2,0,0,0,0|1,0,0]=3 6451 B12R0.206 CCCCCCNC(=O)CCOC b4c31b8a66eba6314d589b98dd099b43 [0,2,0,0,0,0|1,0,0]=3 6452 B12R0.206 CCCCCCNC(=O)CCSC 59d90d84443cb158320da85f181ac89e [0,2,0,0,0,0|1,0,0]=3 6453 B12R0.206 CCCCCCNC(=O)COCC 4c932b059f758f3b35b21b0624ff070a [0,2,0,0,0,0|1,0,0]=3 6454 B12R0.206 CCCCCCNC(=O)CSCC 5c1f59ea001a51aa153486a70e0a9d7e [0,2,0,0,0,0|1,0,0]=3 6455 B12R0.206 CCCCCCNC(=O)CSSC 827e47548251a95554f83b6418ba0aee [0,2,0,0,0,0|2,0,0]=4 6456 B12R0.206 CCCCCCNC(=O)NCCC f36e2e39309d437e377f2067d3d3eff8 [0,2,0,0,0,0|1,0,0]=3 6457 B12R0.206 CCCCCCNC(=O)NCCF 13c674784da2709752dfed6a4658c69d [0,2,0,0,0,0|2,0,0]=4 6458 B12R0.206 CCCCCCNC(=O)NCCN 7f84ff0455b061bd0347d6aa73d0f51d [0,2,0,0,0,0|2,0,0]=4 6459 B12R0.206 CCCCCCNC(=O)NCCO e6e5324d912a2eb8a44e9bd8f0362eb9 [0,2,0,0,0,0|2,0,0]=4 6460 B12R0.206 CCCCCCNC(=O)NCCS 63c266e8d4232b081ad99720135ec884 [0,2,0,0,0,0|2,0,0]=4 6461 B12R0.206 CCCCCCNC(=S)NCCC fac2e7aebea1c7b5266f06058bfe6047 [0,2,0,0,0,0|1,1,0]=4 6462 B12R0.206 CCCCCCOC(C)CCCC 04829ec059dfcfc9e75c6467e18f1e92 [0,2,0,0,0,0|1,0,1]=4 6463 B12R0.206 CCCCCCOC(C)CCOC 000371982cd4340a9d912acaaf8a3a5d [0,2,0,0,0,0|1,0,1]=4 6464 B12R0.206 CCCCCCOC(C)COCC f5734d6ba6eb4c2590774e45a8431094 [0,2,0,0,0,0|1,0,1]=4 6465 B12R0.206 CCCCCCO[C@@H](C)CCCC dab3ff5e215dce23cef3459580579ba3 [0,2,0,0,0,0|1,0,1]=4 6466 B12R0.206 CCCCCCO[C@H](C)CCCC ef87ba988f98c72c2e57f873fe3da34a [0,2,0,0,0,0|1,0,1]=4 6467 B12R0.206 CCCCCNCC(=O)CCSC b8660bc8e2dae8d3245382c0aefef5b9 [0,2,0,0,0,0|1,0,0]=3 6468 B12R0.206 CCCCCNCC(=O)NCCC 485c0e9fef70d914d1fa68888287aa18 [0,2,0,0,0,0|1,0,0]=3 6469 B12R0.206 CCCCCNCC(=O)NCCO 9f811f81b7a80a50c5a8848a082e7a7e [0,2,0,0,0,0|2,0,0]=4 6470 B12R0.206 CCCCCNCC(=O)OCCC de2a306fea09af86abf0893fd5e0c26b [0,2,0,0,0,0|1,0,0]=3 6471 B12R0.206 CCCCCOCC(=O)CCSC e0465f9fcf86d30a9a9b3a436d617fe7 [0,2,0,0,0,0|0,0,0]=2 6472 B12R0.206 CCCCCOCC(=O)NCC#N 18522fec6ed4317bf14928673a83ec8c [0,2,0,0,0,0|1,0,1]=4 6473 B12R0.206 CCCCCOCC(=O)NCCC abc22212e9071637d4f7daf41e0c511d [0,2,0,0,0,0|0,0,0]=2 6474 B12R0.206 CCCCCOCC(=O)OCCC e665b649604e19dd7431faa0ad8c8b23 [0,2,0,0,0,0|0,0,0]=2 6475 B12R0.206 CCCCCOCC(C)CCCC 2ea0599d204bbef90064f33a9da25d48 [0,2,0,0,0,0|1,0,1]=4 6476 B12R0.206 CCCCCOCC(C)COCC d965ca1772f36ff8ea686f6cfa16d188 [0,2,0,0,0,0|1,0,1]=4 6477 B12R0.206 CCCCNCOC(=O)CCCC 1bafb601242da8a8d946db52f1bbeaf0 [0,2,0,0,0,0|0,0,0]=2 6478 B12R0.206 CCCCNCOC(=O)OCCC d83cefbdb3981c9e3c96c1cd40b4f56b [0,2,0,0,0,0|0,0,0]=2 6479 B12R0.206 CCCCOCCC(=O)NCCBr 1f6476d461fab6f2d3cf2b6fa4703df2 [0,2,0,0,0,0|2,0,0]=4 6480 B12R0.206 CCCCOCCC(=O)NCCC 73e057edf46603d2370e38c443d4a9b3 [0,2,0,0,0,0|1,0,0]=3 6481 B12R0.206 CCCCOCCC(=O)NCCF db1a56ade117c6b7b0ed0a0477088223 [0,2,0,0,0,0|2,0,0]=4 6482 B12R0.206 CCCCOCCC(=O)NCCI 4b5bcc697d9e410ccd2ea2cbf9faefd6 [0,2,0,0,0,0|2,0,0]=4 6483 B12R0.206 CCCCOCCC(=O)NCCO 67d4d72ef2bbabeb91fa0d8f5a17fbb5 [0,2,0,0,0,0|2,0,0]=4 6484 B12R0.206 CCCCOCCC(=O)NCCS 5beb6b5ee01b21622525c5f22e5baef6 [0,2,0,0,0,0|2,0,0]=4 6485 B12R0.206 CCCCOCCC(=O)OCCC 2a1b433dcea9d2880480901bab6925a9 [0,2,0,0,0,0|1,0,0]=3 6486 B12R0.206 CCCCOCOC(=O)CCCC fba6deb132e6e7f7f7861343ba29d758 [0,2,0,0,0,0|0,0,0]=2 6487 B12R0.206 CCCCOCOC(=O)OCCC 071c97a3bb68cd2ecd9925c15aaf1564 [0,2,0,0,0,0|0,0,0]=2 6488 B12R0.206 CCCCOCOC(C)CCCC cff643666b1841e94b0419a8ca406e82 [0,2,0,0,0,0|1,0,1]=4 6489 B12R0.206 CCCCOCOC(C)CCOC 4c44ec58e73321fc6770e530614fd6f8 [0,2,0,0,0,0|1,0,1]=4 6490 B12R0.206 CCCCOCOC(C)COCC a90425d6dfcbaea1c8aa22a603f0bcd7 [0,2,0,0,0,0|1,0,1]=4 6491 B12R0.206 CCCCOCO[C@@H](C)CCCC 2ab69918a5dcf2e188d06a7ba71d225a [0,2,0,0,0,0|1,0,1]=4 6492 B12R0.206 CCCCOCO[C@H](C)CCCC 9e529c83300f60abe58cff61fbc61c34 [0,2,0,0,0,0|1,0,1]=4 6493 B12R0.206 CCCC[C@@H](C)OCCCCCF 4b878e38f534510ba1aaf0fb1319ebc3 [0,2,0,0,0,0|1,0,1]=4 6494 B12R0.206 CCCC[C@@H](C)OCCCCOC 813e971fbefefce8b49ba5b352f980ca [0,2,0,0,0,0|1,0,1]=4 6495 B12R0.206 CCCC[C@@H](C)OCCCOCC 807a0b97444c3ca0fdd065a16f707f87 [0,2,0,0,0,0|1,0,1]=4 6496 B12R0.206 CCCC[C@@H](C)OCCCSCC a238d48b54cc8fc890a7795385ef2124 [0,2,0,0,0,0|1,0,1]=4 6497 B12R0.206 CCCC[C@@H](C)OCCOCCC 4b8e3e134a51c8394d29a1b972ebd620 [0,2,0,0,0,0|1,0,1]=4 6498 B12R0.206 CCCC[C@H](C)OCCCCCF 7e4db223ea7ee2cec45180ab9442d0da [0,2,0,0,0,0|1,0,1]=4 6499 B12R0.206 CCCC[C@H](C)OCCCCOC bd688f6eb279284a1942a7f9f88f6f34 [0,2,0,0,0,0|1,0,1]=4 6500 B12R0.206 CCCC[C@H](C)OCCCOCC ae8b6821fdbddd8029a1b702b194a82b [0,2,0,0,0,0|1,0,1]=4 6501 B12R0.206 CCCC[C@H](C)OCCCSCC 5f37a63aaf1848d7ab2e17c2e6b4f2e6 [0,2,0,0,0,0|1,0,1]=4 6502 B12R0.206 CCCC[C@H](C)OCCOCCC 36c73d37039a30979884cb009b8d5009 [0,2,0,0,0,0|1,0,1]=4 6503 B12R0.206 CCCNC(=O)CCCCCC=O a8e9e3cb9258f7f377f9d83a3afd88bd [0,2,0,0,0,0|1,0,1]=4 6504 B12R0.206 CCCNC(=O)CCCCCCF fe0c0826cc2a628723d94a0538063122 [0,2,0,0,0,0|1,0,0]=3 6505 B12R0.206 CCCNC(=O)CCCCCCO 06682eecaa9b10b95e75ffa3df2459d9 [0,2,0,0,0,0|1,0,0]=3 6506 B12R0.206 CCCNC(=O)CCCCCCS ba9f55ea28a9b7b31a9b4116bfb6bb62 [0,2,0,0,0,0|1,0,0]=3 6507 B12R0.206 CCCNC(=O)CCCCCOC 245314515c1d97c13d9adf584ef34ad0 [0,2,0,0,0,0|1,0,0]=3 6508 B12R0.206 CCCNC(=O)CCCCOCC b5b1837a84cecb8e93b60a73927b2d74 [0,2,0,0,0,0|1,0,0]=3 6509 B12R0.206 CCCNC(=O)CCCNCCBr 4fa3d7ab3d24793e7559d291fc3e0cd0 [0,2,0,0,0,0|2,0,0]=4 6510 B12R0.206 CCCNC(=O)CCCNCCF 3cc53ae75b0c0fd5595a7919885414a5 [0,2,0,0,0,0|2,0,0]=4 6511 B12R0.206 CCCNC(=O)CCCNCCI 452f68022b6e7a6d67d389d3260e0119 [0,2,0,0,0,0|2,0,0]=4 6512 B12R0.206 CCCNC(=O)CCCNCCO f185ad42ede60c10b0251a44cbc057be [0,2,0,0,0,0|2,0,0]=4 6513 B12R0.206 CCCNC(=O)CCCNCCS 07a3f2f6611f77ce1ccdf721e9ae5eb8 [0,2,0,0,0,0|2,0,0]=4 6514 B12R0.206 CCCNC(=O)CCCOCCC 435e5a2e43d294bff9b948a4f65ab99d [0,2,0,0,0,0|1,0,0]=3 6515 B12R0.206 CCCNC(=O)CCCOCCF 8115036f6d300124bf91f447e7fc1d65 [0,2,0,0,0,0|2,0,0]=4 6516 B12R0.206 CCCNC(=O)CCCOCCS 4ab3f2ebe1a9f23128ec5bf3cb960077 [0,2,0,0,0,0|2,0,0]=4 6517 B12R0.206 CCCNC(=O)CCCOCOC 21cb1379c229cade9043d990095529ac [0,2,0,0,0,0|2,0,0]=4 6518 B12R0.206 CCCNC(=O)CCOCCOC 944c62a51034113604155675c11442bc [0,2,0,0,0,0|2,0,0]=4 6519 B12R0.206 CCCNC(=O)CNCCCCCl be671185708e2cc6ae114eab4b33f89b [0,2,0,0,0,0|2,0,0]=4 6520 B12R0.206 CCCNC(=O)CNCCCCF 0afb27739ae3d7ce8e9c841c1dfe516a [0,2,0,0,0,0|2,0,0]=4 6521 B12R0.206 CCCNC(=O)CNCCCCO 4e04494b3a8ce39053c54760b63e8c39 [0,2,0,0,0,0|2,0,0]=4 6522 B12R0.206 CCCNC(=O)CNCCCCS d549174cf1342aa8161d38ad736463e6 [0,2,0,0,0,0|2,0,0]=4 6523 B12R0.206 CCCNC(=O)CNCCCOC f1d559c50a4238e42afd5c2b201380f0 [0,2,0,0,0,0|2,0,0]=4 6524 B12R0.206 CCCNC(=O)CNCCCSC 83399536b7b4ed54e7857f5c6777ea6f [0,2,0,0,0,0|2,0,0]=4 6525 B12R0.206 CCCNC(=O)CNCCOCC c7cd1afbfa1112b2db289eb78589529d [0,2,0,0,0,0|2,0,0]=4 6526 B12R0.206 CCCNC(=O)CNCCSCC 656339fa6b28d4123d42827c5e2d0b6d [0,2,0,0,0,0|2,0,0]=4 6527 B12R0.206 CCCNC(=O)COCCCC#N 0839532c3b6400c29de80068a5c1fe78 [0,2,0,0,0,0|1,0,1]=4 6528 B12R0.206 CCCNC(=O)COCCCC=O bbcf886eb4db65929e1bcdfa8ab23180 [0,2,0,0,0,0|1,0,1]=4 6529 B12R0.206 CCCNC(=O)COCCCCF c9b82e69fa17b4aefca8d0d00aae0aae [0,2,0,0,0,0|1,0,0]=3 6530 B12R0.206 CCCNC(=O)COCCCCS ea53eaedadf6023dd32c22bf87eec6b6 [0,2,0,0,0,0|1,0,0]=3 6531 B12R0.206 CCCNC(=O)COCCCOC 7f360a2792f4040b0fb0bfec743b6b00 [0,2,0,0,0,0|1,0,0]=3 6532 B12R0.206 CCCNC(=O)COCCCSC eb36332993f7710ddb644cca55e6d16b [0,2,0,0,0,0|1,0,0]=3 6533 B12R0.206 CCCNC(=O)COCCOCC 75da184737f045ab1cb4d25be30a51db [0,2,0,0,0,0|1,0,0]=3 6534 B12R0.206 CCCNC(=O)COCCSCC 4e252423249147465b1fd78bdb26182f [0,2,0,0,0,0|1,0,0]=3 6535 B12R0.206 CCCNC(=O)NCCCCC#N fe4e8f7c854d029139aa35738a6c7634 [0,2,0,0,0,0|1,0,1]=4 6536 B12R0.206 CCCNC(=O)NCCCCCN 48f071fbd062de65f3de6b55455d654d [0,2,0,0,0,0|1,0,0]=3 6537 B12R0.206 CCCNC(=O)NCCCCCO 3d6d5434d619855100527a2575cc0921 [0,2,0,0,0,0|1,0,0]=3 6538 B12R0.206 CCCNC(=O)NCCCCOC 653f1b3fa4dcf79f739f85c91c17721d [0,2,0,0,0,0|1,0,0]=3 6539 B12R0.206 CCCNC(=O)NCCCCSC f2b71315989a58cef03f8f190de6f5b1 [0,2,0,0,0,0|1,0,0]=3 6540 B12R0.206 CCCNC(=O)NCCCOCC d714c40e165f327a9a129525803ce408 [0,2,0,0,0,0|1,0,0]=3 6541 B12R0.206 CCCNC(=O)NCCOCCC 270129a94826db6ababc00fc15112a7b [0,2,0,0,0,0|1,0,0]=3 6542 B12R0.206 CCCNC(=O)NCCOCCN e8d856b9894361c40c4779c110342ba9 [0,2,0,0,0,0|2,0,0]=4 6543 B12R0.206 CCCNC(=O)NCCOCCO 4cab1597b84f015f6a006a7b391d40fd [0,2,0,0,0,0|2,0,0]=4 6544 B12R0.206 CCCNC(=O)NCCOCCS 91a0b5501303087b625ddd43210b3ccd [0,2,0,0,0,0|2,0,0]=4 6545 B12R0.206 CCCNC(=O)NCCSCCN 08d898c91bc068506c2e5d9b6625da80 [0,2,0,0,0,0|2,0,0]=4 6546 B12R0.206 CCCNC(=O)NCCSCCO 0a95222bb0b9f2869a646e8d60d5de65 [0,2,0,0,0,0|2,0,0]=4 6547 B12R0.206 CCCNC(=S)NCCCCCN ff78fa31ed10b80862fee62d9c0fe094 [0,2,0,0,0,0|1,1,0]=4 6548 B12R0.206 CCCNC(=S)NCCCCCO 445b51fa6f5b7ea6c8c5fa3eb690889a [0,2,0,0,0,0|1,1,0]=4 6549 B12R0.206 CCCNC(=S)NCCCCOC f13ef17b88f3b7c2b3ab7e8c799a388a [0,2,0,0,0,0|1,1,0]=4 6550 B12R0.206 CCCNC(=S)NCCCCSC f0baa817d70ac086e9e8e15c777875ef [0,2,0,0,0,0|1,1,0]=4 6551 B12R0.206 CCCNC(=S)NCCCOCC e50c0a0c978593a8f8c3c4bc5bbe505b [0,2,0,0,0,0|1,1,0]=4 6552 B12R0.206 CCCNC(=S)NCCOCCC 9a8cbde6aed64e3fbe7586418a00e0e3 [0,2,0,0,0,0|1,1,0]=4 6553 B12R0.206 CCCNCCCC(=O)NCCC b3989e6e752d16b37af92ec59dbde35e [0,2,0,0,0,0|1,0,0]=3 6554 B12R0.206 CCCOC(=O)CCOCCCF 59c320dac474ec2811161e66e2464e17 [0,2,0,0,0,0|2,0,0]=4 6555 B12R0.206 CCCOC(=O)CCOCCCS df5e25595ce3867540563719c60661ae [0,2,0,0,0,0|2,0,0]=4 6556 B12R0.206 CCCOC(=O)CCOCCOC 7d8b07772216d464006195a1995cf433 [0,2,0,0,0,0|2,0,0]=4 6557 B12R0.206 CCCOC(=O)CCOCCSC 43393629d1c19e33dd16ab0a5b691755 [0,2,0,0,0,0|2,0,0]=4 6558 B12R0.206 CCCOC(=O)CCOCOCC e96b1f0233aac9513065515ff95e9fbb [0,2,0,0,0,0|2,0,0]=4 6559 B12R0.206 CCCOC(=O)CNCCCCCl 45124241f08a9fc598ed39bd0c8c5fcd [0,2,0,0,0,0|2,0,0]=4 6560 B12R0.206 CCCOC(=O)CNCCCCO 22ae123d3c65c6c95d71f7b1ecad0bd7 [0,2,0,0,0,0|2,0,0]=4 6561 B12R0.206 CCCOC(=O)CNCCCCS cd5a830a215bf4ab5f9696b39be26218 [0,2,0,0,0,0|2,0,0]=4 6562 B12R0.206 CCCOC(=O)CNCCCOC 369fb59c7286eb1404e186af1ece60a7 [0,2,0,0,0,0|2,0,0]=4 6563 B12R0.206 CCCOC(=O)CNCCCSC a1284ac40db9278ad53c7b780c9b1311 [0,2,0,0,0,0|2,0,0]=4 6564 B12R0.206 CCCOC(=O)CNCCOCC 498ef4fd4a133dde7f23ecde8a14227a [0,2,0,0,0,0|2,0,0]=4 6565 B12R0.206 CCCOC(=O)CNCCSCC 66d7f73a4cc276f938121e64e38aa544 [0,2,0,0,0,0|2,0,0]=4 6566 B12R0.206 CCCOC(=O)COCCCC#N 1d1141b15206cbb0b9d9df7d6e7ad0db [0,2,0,0,0,0|1,0,1]=4 6567 B12R0.206 CCCOC(=O)COCCCC=O 6e0985d45248bad87d7b72c4aa390c27 [0,2,0,0,0,0|1,0,1]=4 6568 B12R0.206 CCCOC(=O)COCCCCF c96c9c870dbd0d200fe7d90a4f625f99 [0,2,0,0,0,0|1,0,0]=3 6569 B12R0.206 CCCOC(=O)COCCCCS 90eaabb4e8b7deca2ef25ad6d664554b [0,2,0,0,0,0|1,0,0]=3 6570 B12R0.206 CCCOC(=O)COCCCOC 114b77280af3929272a16e8b43f72bb1 [0,2,0,0,0,0|1,0,0]=3 6571 B12R0.206 CCCOC(=O)COCCCSC 3af9e40c6758f83423fcf56581d905f0 [0,2,0,0,0,0|1,0,0]=3 6572 B12R0.206 CCCOC(=O)COCCOCC 9e89e3c3bac026b79da1a8c44252376c [0,2,0,0,0,0|1,0,0]=3 6573 B12R0.206 CCCOC(=O)COCCSCC 23f30dca08bdf145f9f32c210829965b [0,2,0,0,0,0|1,0,0]=3 6574 B12R0.206 CCCOC(=O)OCNCCC#N 6f2e1de7572c7e34af226cc3ed96e6ef [0,2,0,0,0,0|1,0,1]=4 6575 B12R0.206 CCCOC(=O)OCNCCCCl 7bb6bd08b4e0e8b3a7867d17047dac28 [0,2,0,0,0,0|1,0,0]=3 6576 B12R0.206 CCCOC(=O)OCNCCCO 642e33d09b2da3a6be58e56a0c5ea870 [0,2,0,0,0,0|1,0,0]=3 6577 B12R0.206 CCCOC(=O)OCNCCOC ee45e6859617993e2ec8182850f0357b [0,2,0,0,0,0|1,0,0]=3 6578 B12R0.206 CCCOC(=O)OCNCCON 506645d22edace0a38ff0c46788d7b42 [0,2,0,0,0,0|2,0,0]=4 6579 B12R0.206 CCCOC(=O)OCNCCSC 5e1b4972b6b67d6f1146aee01d14fe96 [0,2,0,0,0,0|1,0,0]=3 6580 B12R0.206 CCCOC(=O)OCOCCC#N 37fc8ee5179e64a622bab304e91647c6 [0,2,0,0,0,0|1,0,1]=4 6581 B12R0.206 CCCOC(=O)OCOCCC=O 839353848d8a6d358627ebbbae55fd43 [0,2,0,0,0,0|1,0,1]=4 6582 B12R0.206 CCCOC(=O)OCOCCCF 61d6de8f87f9cf6815d7c9a1c4f71ab8 [0,2,0,0,0,0|1,0,0]=3 6583 B12R0.206 CCCOC(=O)OCOCCCS ea19e0ee2b154c918efdcbf4620bbde0 [0,2,0,0,0,0|1,0,0]=3 6584 B12R0.206 CCCOC(=O)OCOCCOC 4533308de982d03fce87bd28a54ffa5c [0,2,0,0,0,0|1,0,0]=3 6585 B12R0.206 CCCOC(=O)OCOCCSC 51b2676dc872400c33bef2e593c14f3a [0,2,0,0,0,0|1,0,0]=3 6586 B12R0.206 CCCOCCNC(=O)CCC#N 97400ad835ce8c94b25c65bc4bf9e5f3 [0,2,0,0,0,0|1,0,1]=4 6587 B12R0.206 CCCOCCNC(=O)CCC=O 6e3b3a9f67e1921e2ccb53c7370e8b28 [0,2,0,0,0,0|1,0,1]=4 6588 B12R0.206 CCCOCCNC(=O)CCCF dc5a48f08ca6357a67b4ac99f8f2198d [0,2,0,0,0,0|1,0,0]=3 6589 B12R0.206 CCCOCCNC(=O)CCCS b32d77f2830975559988ddb2e181f686 [0,2,0,0,0,0|1,0,0]=3 6590 B12R0.206 CCCOCCNC(=O)CCOC 9ef45dfe14d53154c9b4ae5291ccc7cf [0,2,0,0,0,0|1,0,0]=3 6591 B12R0.206 CCCOCCNC(=O)CCSC a1a72933c38d4fbf2bf13bd69a5128b5 [0,2,0,0,0,0|1,0,0]=3 6592 B12R0.206 CCCOCCNC(=O)COCC 2aee6b126539cc9ff72436117d573816 [0,2,0,0,0,0|1,0,0]=3 6593 B12R0.206 CCCOCCNC(=O)CSCC b56bde388ef4f750117394d9220222ce [0,2,0,0,0,0|1,0,0]=3 6594 B12R0.206 CCCOCCNC(=O)CSSC 8f0cec9b5965640587f6d89d85e0c059 [0,2,0,0,0,0|2,0,0]=4 6595 B12R0.206 CCCOCCNC(=O)NCCF aac7cb1cbe5617bab25a39aa1828c19e [0,2,0,0,0,0|2,0,0]=4 6596 B12R0.206 CCCOCCNC(=O)NCCN 2e249dac0fa6614a864fa260ea6aec2b [0,2,0,0,0,0|2,0,0]=4 6597 B12R0.206 CCCOCCNC(=O)NCCO 60abfd48f936c746340a8e1344941d2b [0,2,0,0,0,0|2,0,0]=4 6598 B12R0.206 CCCOCCNC(=O)NCCS 3c3d9bbafa9882901603f224155636f6 [0,2,0,0,0,0|2,0,0]=4 6599 B12R0.206 CCCOCCOC(C)CCOC a009f663fde975cdb252f28ed3984257 [0,2,0,0,0,0|1,0,1]=4 6600 B12R0.206 CCCOCCOC(C)CCSC 97ea0350f68fd85deddac91e8eccf782 [0,2,0,0,0,0|1,0,1]=4 6601 B12R0.206 CCCOCCOC(C)COCC ddc586dd7909a1eef9a178c31923862f [0,2,0,0,0,0|1,0,1]=4 6602 B12R0.206 CCOCC(=O)NCCCCC#N 68146c45ae7e4c9cea899a528ebfff7f [0,2,0,0,0,0|1,0,1]=4 6603 B12R0.206 CCOCC(=O)NCCCCCCl b06604fd9514fdcf70e8e9606bf0b24a [0,2,0,0,0,0|1,0,0]=3 6604 B12R0.206 CCOCC(=O)NCCCCCO bbee7340672399548a33b418263e51c3 [0,2,0,0,0,0|1,0,0]=3 6605 B12R0.206 CCOCC(=O)NCCCCOC a75ad6578b872d4f30eb77f0f84fc278 [0,2,0,0,0,0|1,0,0]=3 6606 B12R0.206 CCOCC(=O)NCCCCSC dce29b0bd575db726919525da2e46ca5 [0,2,0,0,0,0|1,0,0]=3 6607 B12R0.206 CCOCC(=O)NCCOCCO c58d4d8f8d24c00593c8da563a9e4ea6 [0,2,0,0,0,0|2,0,0]=4 6608 B12R0.206 CCOCC(=O)NCCOCCS e8ec400151508c77cf8becc7dad8f301 [0,2,0,0,0,0|2,0,0]=4 6609 B12R0.206 CCOCC(=O)NCCSCCO 9db7ff185cfd6592a2f9e7e7e7f38769 [0,2,0,0,0,0|2,0,0]=4 6610 B12R0.206 CCOCC(C)OCCCCCF cf7128136b97805ca7f9eb0a2d17aadf [0,2,0,0,0,0|1,0,1]=4 6611 B12R0.206 CCOCC(C)OCCCCOC 9e7ef236c3a3783c17b4a720fa58c103 [0,2,0,0,0,0|1,0,1]=4 6612 B12R0.206 CCOCC(C)OCCCSCC 958a8a7c1c278550b83f4e04a63038e4 [0,2,0,0,0,0|1,0,1]=4 6613 B12R0.206 CCOCCCCC(=O)NCCBr 3bae439d51f869de9612a780a934e2a4 [0,2,0,0,0,0|2,0,0]=4 6614 B12R0.206 CCOCCCCC(=O)NCCF 64004a00af9fe8dcbb173ccb789ecb85 [0,2,0,0,0,0|2,0,0]=4 6615 B12R0.206 CCOCCCCC(=O)NCCI c728ea5925f280850c1b315cfc66f681 [0,2,0,0,0,0|2,0,0]=4 6616 B12R0.206 CCOCCCCC(=O)NCCO 338104cc3c9eb29c7607d49d5e72a65a [0,2,0,0,0,0|2,0,0]=4 6617 B12R0.206 CCOCCCCC(=O)NCCS 966ea7ad6c11b4ea6f5bee1b504c5c6f [0,2,0,0,0,0|2,0,0]=4 6618 B12R0.206 CCOCCCNC(=O)CCC#N 7c71868f884b4d6245db07068de54894 [0,2,0,0,0,0|1,0,1]=4 6619 B12R0.206 CCOCCCNC(=O)CCC=O 57348aef508b1093db78741251a1215a [0,2,0,0,0,0|1,0,1]=4 6620 B12R0.206 CCOCCCNC(=O)CCCF b7c8891201c1e9b495a01de5d354e12d [0,2,0,0,0,0|1,0,0]=3 6621 B12R0.206 CCOCCCNC(=O)CCCS ac183174555220d933ff57ff91e858a0 [0,2,0,0,0,0|1,0,0]=3 6622 B12R0.206 CCOCCCNC(=O)CCOC 4c679ef267eccebcc7ff027fb681e972 [0,2,0,0,0,0|1,0,0]=3 6623 B12R0.206 CCOCCCNC(=O)CCSC 9680e4c55e1adb37fcd81bf772481581 [0,2,0,0,0,0|1,0,0]=3 6624 B12R0.206 CCOCCCNC(=O)COCC 11952c318e7c8d69a9517c642900d017 [0,2,0,0,0,0|1,0,0]=3 6625 B12R0.206 CCOCCCNC(=O)CSCC 834ff0f7868123758683db4a0f7cba0a [0,2,0,0,0,0|1,0,0]=3 6626 B12R0.206 CCOCCCNC(=O)CSSC da06eca88378ca083591b79c6007049c [0,2,0,0,0,0|2,0,0]=4 6627 B12R0.206 CCOCCCNC(=O)NCCF 7d9532f104fd9ae6aa4b154051a22e1b [0,2,0,0,0,0|2,0,0]=4 6628 B12R0.206 CCOCCCNC(=O)NCCN cd41e7f7351cbc8ce5d6bba7e5edb657 [0,2,0,0,0,0|2,0,0]=4 6629 B12R0.206 CCOCCCNC(=O)NCCO 264def496230eebe5550cbad83ec6044 [0,2,0,0,0,0|2,0,0]=4 6630 B12R0.206 CCOCCCNC(=O)NCCS b7569f6d5fd0f34da7a6effd9c781002 [0,2,0,0,0,0|2,0,0]=4 6631 B12R0.206 CCOCCCOC(C)CCOC 9482d6cf87e4c69a8d9e46286dcda37f [0,2,0,0,0,0|1,0,1]=4 6632 B12R0.206 CCOCCCOC(C)CCSC a236ea08620ea969235bf8067cd3e48f [0,2,0,0,0,0|1,0,1]=4 6633 B12R0.206 CCOCCCOC(C)COCC 97adb156bf1de8cec63be34b891a3e48 [0,2,0,0,0,0|1,0,1]=4 6634 B12R0.206 CCOCCNCC(=O)CCSC 26a2431f538bb30088e8bc187adc1703 [0,2,0,0,0,0|2,0,0]=4 6635 B12R0.206 CCOCCOCC(=O)CCSC dcb6bef635dc88faf72afad3ea9747f1 [0,2,0,0,0,0|1,0,0]=3 6636 B12R0.206 CCSCC(=O)NCCCCC#N f83d68a8215c012c9938f164c4856c78 [0,2,0,0,0,0|1,0,1]=4 6637 B12R0.206 CCSCC(=O)NCCCCCCl bd70d06825fad57ad301eae44941f802 [0,2,0,0,0,0|1,0,0]=3 6638 B12R0.206 CCSCC(=O)NCCCCCO a6271136f0da7dde95e957f78ed48b73 [0,2,0,0,0,0|1,0,0]=3 6639 B12R0.206 CCSCC(=O)NCCCCOC cb2c3d1512e87b9a4e830cb306eec465 [0,2,0,0,0,0|1,0,0]=3 6640 B12R0.206 CCSCC(=O)NCCCCSC 19d93a44d33f3f64927b7f3716b4e6d7 [0,2,0,0,0,0|1,0,0]=3 6641 B12R0.206 CCSCC(=O)NCCOCCO 1c1f1a20af99a085b2f937b19375c1a9 [0,2,0,0,0,0|2,0,0]=4 6642 B12R0.206 CCSCC(=O)NCCOCCS 40c95278736a2137fbfd2d8140228640 [0,2,0,0,0,0|2,0,0]=4 6643 B12R0.206 CCSCC(=O)NCCSCCO 58f0e2f81651f5e37d2b295721179fd0 [0,2,0,0,0,0|2,0,0]=4 6644 B12R0.206 CCSCCCOC(C)CCOC 188ff939eecc782604f068ce9983b0a8 [0,2,0,0,0,0|1,0,1]=4 6645 B12R0.206 CCSCCCOC(C)CCSC ea19bb9a9e4b3d8c7c024deece7ecaaa [0,2,0,0,0,0|1,0,1]=4 6646 B12R0.206 CCSCCNCC(=O)CCSC 6dbe5b22ad5d4883aa31297472cbedcb [0,2,0,0,0,0|2,0,0]=4 6647 B12R0.206 CCSCCOCC(=O)CCSC dce40ba8d89ea72322a28facfa5ba09c [0,2,0,0,0,0|1,0,0]=3 6648 B12R0.206 COCCC(=O)NCCCCC#N 34b2d281e3c2736e470289950287929b [0,2,0,0,0,0|1,0,1]=4 6649 B12R0.206 COCCC(=O)NCCCCCCl d4cdfb966c2192618599415da7156c16 [0,2,0,0,0,0|1,0,0]=3 6650 B12R0.206 COCCC(=O)NCCCCCO 499bff9f059a4e192e1acd1978967440 [0,2,0,0,0,0|1,0,0]=3 6651 B12R0.206 COCCC(=O)NCCCCSC 824f25fdb226cc8962b57df9576b629e [0,2,0,0,0,0|1,0,0]=3 6652 B12R0.206 COCCC(=O)NCCOCCO fda46292a05257f02245b6f2461f0f91 [0,2,0,0,0,0|2,0,0]=4 6653 B12R0.206 COCCC(=O)NCCOCCS 12cfea03f817eb794846ac9e3c5e2c51 [0,2,0,0,0,0|2,0,0]=4 6654 B12R0.206 COCCC(=O)NCCSCCO 8b395cea97863307fdfdd3043e87f1c5 [0,2,0,0,0,0|2,0,0]=4 6655 B12R0.206 COCCC(C)OCCCCCF d70fdecb0e64d3952b3988f449ed79e5 [0,2,0,0,0,0|1,0,1]=4 6656 B12R0.206 COCCCCCC(=O)NCCBr 4209f75b112e962bcd7153d89a9b116f [0,2,0,0,0,0|2,0,0]=4 6657 B12R0.206 COCCCCCC(=O)NCCF c84e52b019de35b473bb100f07c2ec9f [0,2,0,0,0,0|2,0,0]=4 6658 B12R0.206 COCCCCCC(=O)NCCI f171326a21d4344acf2e734aee783550 [0,2,0,0,0,0|2,0,0]=4 6659 B12R0.206 COCCCCCC(=O)NCCO 0d47c2b7de9f30a10159948ee55487aa [0,2,0,0,0,0|2,0,0]=4 6660 B12R0.206 COCCCCCC(=O)NCCS 4a462384bd3128f34c621fcb7cbd4115 [0,2,0,0,0,0|2,0,0]=4 6661 B12R0.206 COCCCCNC(=O)CCC#N 1e0fa2d89e00436d0c5f837023eed3c2 [0,2,0,0,0,0|1,0,1]=4 6662 B12R0.206 COCCCCNC(=O)CCC=O 2fdbb2220bda0d3e139c9c4987f79395 [0,2,0,0,0,0|1,0,1]=4 6663 B12R0.206 COCCCCNC(=O)CCCF 2aae8aeb8673ab0d81a4812b1ae64612 [0,2,0,0,0,0|1,0,0]=3 6664 B12R0.206 COCCCCNC(=O)CCCS 630bd13edd3538bd7a4a179670f57ab2 [0,2,0,0,0,0|1,0,0]=3 6665 B12R0.206 COCCCCNC(=O)CCOC c1311a074c8f6ef84e40ed5ffbb0bded [0,2,0,0,0,0|1,0,0]=3 6666 B12R0.206 COCCCCNC(=O)CCSC 1b0e15e166c843778941a903c5ed8f31 [0,2,0,0,0,0|1,0,0]=3 6667 B12R0.206 COCCCCNC(=O)CSSC 48dc89c2b6ae69815ecfd7a6d882fcb9 [0,2,0,0,0,0|2,0,0]=4 6668 B12R0.206 COCCCCNC(=O)NCCF 8d3f4b1520b33273793960d82c7f8fff [0,2,0,0,0,0|2,0,0]=4 6669 B12R0.206 COCCCCNC(=O)NCCN 58aff469ad1dccae3991a6f00973cf38 [0,2,0,0,0,0|2,0,0]=4 6670 B12R0.206 COCCCCNC(=O)NCCO 59473b0f6251d9f3e6e0ada026dff12b [0,2,0,0,0,0|2,0,0]=4 6671 B12R0.206 COCCCCNC(=O)NCCS 91ec058e46da259b16c66dfe8f49728a [0,2,0,0,0,0|2,0,0]=4 6672 B12R0.206 COCCCCOC(C)CCOC a4dd1d13452c40fd9c26109b25d8e92e [0,2,0,0,0,0|1,0,1]=4 6673 B12R0.206 COCCCCOC(C)CCSC 04d5d88669d912f3640c537b5eab79de [0,2,0,0,0,0|1,0,1]=4 6674 B12R0.206 COCCCNCC(=O)CCSC 8a3180b93e3e8a999c7235b3456aa8cb [0,2,0,0,0,0|2,0,0]=4 6675 B12R0.206 COCCCOCC(=O)CCSC ee048571c7dc4734da7d275bc079abf5 [0,2,0,0,0,0|1,0,0]=3 6676 B12R0.206 CSCCC(=O)CNCCCCCl c28fe48db208dd271df3fb5dff23a314 [0,2,0,0,0,0|2,0,0]=4 6677 B12R0.206 CSCCC(=O)CNCCCCO d07b7561e13bf7273ebcfe973bef6998 [0,2,0,0,0,0|2,0,0]=4 6678 B12R0.206 CSCCC(=O)CNCCCCS 3010b726bc6f94fca4bd7b67a93d095b [0,2,0,0,0,0|2,0,0]=4 6679 B12R0.206 CSCCC(=O)COCCCC#N 03229041e5436b76306c284e04417cb7 [0,2,0,0,0,0|1,0,1]=4 6680 B12R0.206 CSCCC(=O)COCCCC=O ea2c9b1ffcd6f99adcdb5433b37d9a55 [0,2,0,0,0,0|1,0,1]=4 6681 B12R0.206 CSCCC(=O)COCCCCF d11ddbc5d2e685e8e37fe724ffecf1a7 [0,2,0,0,0,0|1,0,0]=3 6682 B12R0.206 CSCCC(=O)COCCCCS 91d4401b78490fe11e501dfee0ae64d2 [0,2,0,0,0,0|1,0,0]=3 6683 B12R0.206 CSCCC(=O)NCCCCC#N e62b626c56eb9e2c58e79e3038ae6313 [0,2,0,0,0,0|1,0,1]=4 6684 B12R0.206 CSCCC(=O)NCCCCCCl 9c7b20e7bd3e3d93789bccffc2983428 [0,2,0,0,0,0|1,0,0]=3 6685 B12R0.206 CSCCC(=O)NCCCCCO 07fac50a534e664fca659dc46519c4fb [0,2,0,0,0,0|1,0,0]=3 6686 B12R0.206 CSCCC(=O)NCCOCCO 879baa943a3b154e246971ca5a67fc67 [0,2,0,0,0,0|2,0,0]=4 6687 B12R0.206 CSCCC(=O)NCCOCCS be6dafbb3b828b398c5731f5127f0441 [0,2,0,0,0,0|2,0,0]=4 6688 B12R0.206 CSCCC(=O)NCCSCCO 61641413066dc173cc3dd06f5d3911c5 [0,2,0,0,0,0|2,0,0]=4 6689 B12R0.206 CSCCC(C)OCCCCCF 4b230198dbdf29312f7232c9c99a535a [0,2,0,0,0,0|1,0,1]=4 6690 B12R0.206 CSCCCCNC(=O)CCC#N 8fcbf396edb37a14e9774771264bc54a [0,2,0,0,0,0|1,0,1]=4 6691 B12R0.206 CSCCCCNC(=O)CCC=O ef0b2acfd7352aca16d9b1e653449b13 [0,2,0,0,0,0|1,0,1]=4 6692 B12R0.206 CSCCCCNC(=O)CCCF dc97f2e785a7cba2f5e20c3e4b7af8a7 [0,2,0,0,0,0|1,0,0]=3 6693 B12R0.206 CSCCCCNC(=O)CCCS 754d1fbc1be236a132868e63423e83c1 [0,2,0,0,0,0|1,0,0]=3 6694 B12R0.206 CSCCCCNC(=O)CCSC b467793c0045061e3693e195b769accc [0,2,0,0,0,0|1,0,0]=3 6695 B12R0.206 CSCCCCNC(=O)CSSC d31e611bc3ab09c21c5c901494536b6a [0,2,0,0,0,0|2,0,0]=4 6696 B12R0.206 CSCCCCNC(=O)NCCF d32ad1977ac0b6608535dca9f0ba007d [0,2,0,0,0,0|2,0,0]=4 6697 B12R0.206 CSCCCCNC(=O)NCCN 4686a21045a4169b8302364c7506c2df [0,2,0,0,0,0|2,0,0]=4 6698 B12R0.206 CSCCCCNC(=O)NCCO 3389ddc64c96e3dfb83db2c04be11461 [0,2,0,0,0,0|2,0,0]=4 6699 B12R0.206 CSCCCCNC(=O)NCCS f769a8e574d82f3d9dea7254b3cd4887 [0,2,0,0,0,0|2,0,0]=4 6700 B12R0.206 CSCCCNCC(=O)CCSC 3df8753b910fb59d495defd51bb12ebb [0,2,0,0,0,0|2,0,0]=4 6701 B12R0.206 CSCCCOCC(=O)CCSC 153df029f4fbfc3ab4bb026158a58d3d [0,2,0,0,0,0|1,0,0]=3 6702 B12R0.206 CSSCC(=O)NCCCCCCl 1f4b1632d8e3c5948f52b7f35a70e4a6 [0,2,0,0,0,0|2,0,0]=4 6703 B12R0.206 CSSCC(=O)NCCCCCO 81445d4f88a2287eaa0de5a0c8b30c06 [0,2,0,0,0,0|2,0,0]=4 6704 B12R0.206 N#CCCC(=O)NCCCCCCl 811eaca56b4257c9ac0da2479af5922c [0,2,0,0,0,0|1,0,1]=4 6705 B12R0.206 N#CCCC(=O)NCCCCCO a1b400cae630128d31ca3e7a471a59c5 [0,2,0,0,0,0|1,0,1]=4 6706 B12R0.206 N#CCCCCNC(=O)CCCF a106855a6e5be9e5feb6a60af6faf9b0 [0,2,0,0,0,0|1,0,1]=4 6707 B12R0.206 N#CCCCCNC(=O)CCCS f5fe6ba2b0e137e2b02ebc4deb2f936e [0,2,0,0,0,0|1,0,1]=4 6708 B12R0.206 NCCCCCNC(=O)NCCF e7b285b38af6f4578adeaa7e3439e80e [0,2,0,0,0,0|2,0,0]=4 6709 B12R0.206 NCCCCCNC(=O)NCCN 345879b3cdb8c33bba80aab12218fe76 [0,2,0,0,0,0|2,0,0]=4 6710 B12R0.206 NCCCCCNC(=O)NCCO cfb2ea46086ad135e73f4b7b3d4dc825 [0,2,0,0,0,0|2,0,0]=4 6711 B12R0.206 NCCCCCNC(=O)NCCS 441cffa766e191685e8ca8476a4048b5 [0,2,0,0,0,0|2,0,0]=4 6712 B12R0.206 NCCNC(=O)NCCCCCO 6cc97fa5a2c4453d7804817fc617b566 [0,2,0,0,0,0|2,0,0]=4 6713 B12R0.206 O=C(CCCCCCF)NCCBr 216e6224eb305e261185bc8cecd10f9f [0,2,0,0,0,0|2,0,0]=4 6714 B12R0.206 O=C(CCCCCCF)NCCF e64f2d76e985254a554e66498d3555bf [0,2,0,0,0,0|2,0,0]=4 6715 B12R0.206 O=C(CCCCCCF)NCCI ebb0914ec79239a64d13891854445a71 [0,2,0,0,0,0|2,0,0]=4 6716 B12R0.206 O=C(CCCCCCF)NCCO 5a5f2ada65ad0cea3e70d10d92ad237a [0,2,0,0,0,0|2,0,0]=4 6717 B12R0.206 O=C(CCCCCCF)NCCS bd197ae6f236851a243c303938cb74b6 [0,2,0,0,0,0|2,0,0]=4 6718 B12R0.206 O=C(CCCCCCO)NCCBr 3e4e47794909e2969e5fd4361c8f5d49 [0,2,0,0,0,0|2,0,0]=4 6719 B12R0.206 O=C(CCCCCCO)NCCF 60f86e103ddbffff9ec8dcbf282de3f3 [0,2,0,0,0,0|2,0,0]=4 6720 B12R0.206 O=C(CCCCCCO)NCCI bcb66c169f829790d2ea5e740d6df3d2 [0,2,0,0,0,0|2,0,0]=4 6721 B12R0.206 O=C(CCCCCCO)NCCO 8cc85d436d401405585b434ca54943c3 [0,2,0,0,0,0|2,0,0]=4 6722 B12R0.206 O=C(CCCCCCO)NCCS 24710eb62f1a4bf767b4d73236b45e86 [0,2,0,0,0,0|2,0,0]=4 6723 B12R0.206 O=C(CCCCCCS)NCCBr 9241e463c73ca5d6e2f4f47d70dae1fd [0,2,0,0,0,0|2,0,0]=4 6724 B12R0.206 O=C(CCCCCCS)NCCF bc1057b361b82ebece9c4c25ac88c6ab [0,2,0,0,0,0|2,0,0]=4 6725 B12R0.206 O=C(CCCCCCS)NCCI b36f2fbaa2a3ec32556b860bb92ebcee [0,2,0,0,0,0|2,0,0]=4 6726 B12R0.206 O=C(CCCCCCS)NCCO 79bcce4ca7e18712d55f2951b74e3aa6 [0,2,0,0,0,0|2,0,0]=4 6727 B12R0.206 O=C(CCCCCCS)NCCS 9fdb6cd2ea3ee0317f7fbe24b8dc459f [0,2,0,0,0,0|2,0,0]=4 6728 B12R0.206 O=C(CCCF)NCCCCCCl bb53c6e128db6c08fdaa872db4411656 [0,2,0,0,0,0|1,0,0]=3 6729 B12R0.206 O=C(CCCF)NCCCCCO 8e61121d4c27bde03a14f7b304f4d946 [0,2,0,0,0,0|1,0,0]=3 6730 B12R0.206 O=C(CCCF)NCCOCCO cb4f37cf4436198ad08cd0ffa60c47ca [0,2,0,0,0,0|2,0,0]=4 6731 B12R0.206 O=C(CCCF)NCCOCCS 8f02d1b0f06dac9eb483e21cfba0429f [0,2,0,0,0,0|2,0,0]=4 6732 B12R0.206 O=C(CCCF)NCCSCCO 252d1e92fe311ac3c460ccf90aad992b [0,2,0,0,0,0|2,0,0]=4 6733 B12R0.206 O=C(CCCS)NCCCCCCl 92d94c83ee196df8450a59d093032b24 [0,2,0,0,0,0|1,0,0]=3 6734 B12R0.206 O=C(CCCS)NCCCCCO 8c3fe224ab90d4d687b3e1d0bd0dbda3 [0,2,0,0,0,0|1,0,0]=3 6735 B12R0.206 O=C(CCCS)NCCOCCO 8f50726426718f135ec30c8a6e9c31c9 [0,2,0,0,0,0|2,0,0]=4 6736 B12R0.206 O=C(CCCS)NCCOCCS 197acd8da644373e8d2505e4c21037bd [0,2,0,0,0,0|2,0,0]=4 6737 B12R0.206 O=C(CCCS)NCCSCCO fdb7c362640f3069b74f89e43db2d11e [0,2,0,0,0,0|2,0,0]=4 6738 B12R0.206 O=C(NCCF)NCCCCCO 94285596b31ff2c92789daea594b1e25 [0,2,0,0,0,0|2,0,0]=4 6739 B12R0.206 O=C(NCCO)NCCCCCO c2ec66660fca0e74a4b92c93dd0dc177 [0,2,0,0,0,0|2,0,0]=4 6740 B12R0.206 O=C(NCCS)NCCCCCO 13f95288d06e602f65e1e78538a3594d [0,2,0,0,0,0|2,0,0]=4 6741 B12R0.206 O=CCCC(=O)NCCCCCCl b4c9023c3d229ec81ad9176c61111c54 [0,2,0,0,0,0|1,0,1]=4 6742 B12R0.206 O=CCCC(=O)NCCCCCO bae5863f69a8739758b243bbc52e5599 [0,2,0,0,0,0|1,0,1]=4 6743 B12R0.239 CCCC(=O)CN(C)CCCCO 5b559d700470f809458840dfceac43ae [0,2,0,0,0,0|2,0,0]=4 6744 B12R0.239 CCCC(=O)CN(C)CCCOC 72cf5bb917468ba48c06ceb562fe140d [0,2,0,0,0,0|2,0,0]=4 6745 B12R0.239 CCCC(=O)CN(C)CCOCC 9101df555aa65eae11ba2763eda6ea37 [0,2,0,0,0,0|2,0,0]=4 6746 B12R0.239 CCCCCC(C)NC(=O)CCC 40689ef52d2540f485dd28780810c0e1 [0,2,0,0,0,0|1,0,0]=3 6747 B12R0.239 CCCCCC(C)NC(=O)CCF 84c4ab902fd32b6a23c9f6e676d20d6c [0,2,0,0,0,0|2,0,0]=4 6748 B12R0.239 CCCCCC(C)NC(=O)CCO 426961cf1e94bd17be408d2e9ebb2db8 [0,2,0,0,0,0|2,0,0]=4 6749 B12R0.239 CCCCCC(C)NC(=O)CCS 927c808256bd4f127682af7a62657407 [0,2,0,0,0,0|2,0,0]=4 6750 B12R0.239 CCCCCC(C)NC(=O)COC b757337b3edb194d7f4b5ba62fb39bab [0,2,0,0,0,0|2,0,0]=4 6751 B12R0.239 CCCCCC(C)NC(=O)CSC 8b97fcacc97d1ab9838c8c81d5d8c65d [0,2,0,0,0,0|2,0,0]=4 6752 B12R0.239 CCCCCC(C)OC(=S)CCC cb491ca31ef38fa137f25eca9041b317 [0,2,0,0,0,0|0,1,0]=3 6753 B12R0.239 CCCCCC(C)OC(C)CCC 8b22b198dc1482cac5f3ba4b889aad07 [0,2,0,0,0,0|1,0,1]=4 6754 B12R0.239 CCCCCC(C)O[C@@H](C)CCC 20662af8300704bda003ca23ed8385e1 [0,2,0,0,0,0|1,0,1]=4 6755 B12R0.239 CCCCCC(C)O[C@H](C)CCC 523872240709bbd9e9ee07496c3d20d5 [0,2,0,0,0,0|1,0,1]=4 6756 B12R0.239 CCCCCN(C)CC(=O)CCC 4e315e5df1dc6de1405a197d38cf7d88 [0,2,0,0,0,0|1,0,0]=3 6757 B12R0.239 CCCCCN(C)CC(=O)COC f805da183fa773e52684246352e0418c [0,2,0,0,0,0|2,0,0]=4 6758 B12R0.239 CCCCCN(C)CC(=O)NCC eeb4e3e401ee7fd71433236537715a14 [0,2,0,0,0,0|2,0,0]=4 6759 B12R0.239 CCCCCN(C)CC(=O)OCC 574b0e60717ce8adfbc67c076a8df0a1 [0,2,0,0,0,0|2,0,0]=4 6760 B12R0.239 CCCCC[C@@H](C)OC(C)CCC 978846c067b256b9ce568a05fe467d6a [0,2,0,0,0,0|1,0,1]=4 6761 B12R0.239 CCCCC[C@H](C)NC(=O)CCC f24b9425ac6b3e481a8865d19f6433a1 [0,2,0,0,0,0|1,0,0]=3 6762 B12R0.239 CCCCC[C@H](C)NC(=O)CCF 9e6b6b021dc38eb915f1476ecb9ad9e1 [0,2,0,0,0,0|2,0,0]=4 6763 B12R0.239 CCCCC[C@H](C)NC(=O)CCO 506585c1b1c7f0841bb9f405a699677e [0,2,0,0,0,0|2,0,0]=4 6764 B12R0.239 CCCCC[C@H](C)NC(=O)CCS e64aeb8156b05848b73a7aab2b71b1dd [0,2,0,0,0,0|2,0,0]=4 6765 B12R0.239 CCCCC[C@H](C)NC(=O)COC 929ab6631d785ff2b8b6a6a981405514 [0,2,0,0,0,0|2,0,0]=4 6766 B12R0.239 CCCCC[C@H](C)NC(=O)CSC 17e1065d03b6b4f75dfa50dc047a7460 [0,2,0,0,0,0|2,0,0]=4 6767 B12R0.239 CCCCC[C@H](C)OC(=S)CCC 42483c12356d923e5ecc6e50b9fbd89e [0,2,0,0,0,0|0,1,0]=3 6768 B12R0.239 CCCCC[C@H](C)OC(C)CCC d688da3118a2e804530f31c73163e717 [0,2,0,0,0,0|1,0,1]=4 6769 B12R0.239 CCCCC[C@H](C)O[C@@H](C)CCC 9fc74208fa45021d6e23e7a2a53f04d8 [0,2,0,0,0,0|1,0,1]=4 6770 B12R0.239 CCCCC[C@H](C)O[C@H](C)CCC 5e4bbf6c5217ceaf5b4a621b18e8f3ed [0,2,0,0,0,0|1,0,1]=4 6771 B12R0.239 CCCCNC(=O)CC(=O)CCC 6f399e88e5d49c2458555fc5b272800d [0,2,0,0,0,0|1,0,1]=4 6772 B12R0.239 CCCCNC(C)CC(=O)OCC 25ee4cee14536e2cedbfda70c89431a5 [0,2,0,0,0,0|2,0,0]=4 6773 B12R0.239 CCCCNC(C)OC(=O)OCC 7efa03a4191d927b3158b15ddf275773 [0,2,0,0,0,0|1,0,0]=3 6774 B12R0.239 CCCCOC(C)CC(=O)OCC 321abfe896de9fccfcae9b8452c63f62 [0,2,0,0,0,0|2,0,0]=4 6775 B12R0.239 CCCCOC(C)OC(=O)OCC 4bc1695e3e78fa518be10eb95fa1ad3b [0,2,0,0,0,0|1,0,0]=3 6776 B12R0.239 CCCCO[C@@H](C)CC(=O)OCC cff9e7a7bc0486787d41f80a0434fc8f [0,2,0,0,0,0|2,0,0]=4 6777 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 4a109a72cc989cc011632616e6b315ed [0,2,0,0,0,0|2,0,0]=4 6778 B12R0.239 CCCNCC(F)CC(=O)OCC 14634c4536d8d0fa53eed7c0cb340ef4 [0,2,0,0,0,0|2,0,0]=4 6779 B12R0.239 CCCNCC(O)CC(=O)OCC 4922a39b5876ae80be1f6caa79f69bc5 [0,2,0,0,0,0|2,0,0]=4 6780 B12R0.239 CCCNC[C@@H](O)CC(=O)OCC 6af681566f24dafd0ce97ef6a24f91f0 [0,2,0,0,0,0|2,0,0]=4 6781 B12R0.239 CCCNC[C@H](O)CC(=O)OCC 45a8e7d7454603f5fc29d5d7f9406760 [0,2,0,0,0,0|2,0,0]=4 6782 B12R0.239 CCCOCC(C)OC(C)CCC 28d912323eab445203f61bd758b55951 [0,2,0,0,0,0|1,0,1]=4 6783 B12R0.239 CCCOCC(F)CC(=O)OCC d6e6cb83b61010bd8e01c17a4dc01031 [0,2,0,0,0,0|2,0,0]=4 6784 B12R0.239 CCOC(=O)OC(C)NCCCCl f3cec2b41c66b3fa233da948e05232bb [0,2,0,0,0,0|2,0,0]=4 6785 B12R0.239 CCOC(=O)OC(C)NCCCO b169825e38d8a37baeed068f184ac691 [0,2,0,0,0,0|2,0,0]=4 6786 B12R0.239 CCOC(=O)OC(C)NCCOC 07f112f70ceebe20002ce5800db1772c [0,2,0,0,0,0|2,0,0]=4 6787 B12R0.239 CCOC(=O)OC(C)NCCSC 79c826728356d69e109867844f7a44f2 [0,2,0,0,0,0|2,0,0]=4 6788 B12R0.239 CCOC(=O)OC(C)OCCCF 98be86a7fdc2b1d6c84814b15039c7ca [0,2,0,0,0,0|2,0,0]=4 6789 B12R0.239 CCOC(=O)OC(C)OCCCS e998389bf81d1c62381ae2308dd8d861 [0,2,0,0,0,0|2,0,0]=4 6790 B12R0.239 CCOC(=O)OC(C)OCCOC 33580c97f0ec1f30bbf2a6496c9e647d [0,2,0,0,0,0|2,0,0]=4 6791 B12R0.239 CCOC(=O)OC(C)OCCSC a17a72f0909fe1eb843a01dea93b3892 [0,2,0,0,0,0|2,0,0]=4 6792 B12R0.276 C=CC(C)COCOC(=O)CCC aefd15a7561f402471a86550201fdc1e [0,2,0,0,0,0|1,0,0]=3 6793 B12R0.276 C=CC(C)COCOC(=O)OCC 964c674d20b42104ec723676adfcbcff [0,2,0,0,0,0|2,0,0]=4 6794 B12R0.276 C=CC(C)COCOC(=O)SCC 5a820e1cf8f4a10ba1622dd475a9f6d0 [0,2,0,0,0,0|2,0,0]=4 6795 B12R0.276 C=CC(C)OCCOC(=O)CCC d79d3fd725fdc66dad0e5004ffea96fd [0,2,0,0,0,0|1,0,0]=3 6796 B12R0.276 C=CC(O)CNCOC(=O)CCC c3c590b57cbf76be2362e2a6451cad29 [0,2,0,0,0,0|0,0,2]=4 6797 B12R0.276 CC(CO)CCCNC(=O)CCF d3c088d81f133442a69cae7a0918432c [0,2,0,0,0,0|2,0,0]=4 6798 B12R0.276 CC(CO)CCCNC(=O)CCO 9e526af8735e6f5912d029af25e2e0df [0,2,0,0,0,0|2,0,0]=4 6799 B12R0.276 CC(CO)CCCNC(=O)CCS 7962b8c1741b017eb585f9b25743b97a [0,2,0,0,0,0|2,0,0]=4 6800 B12R0.276 CCC(C)CCNCC(=O)COC 9bc6c96b5d87008fba522aaae05950a5 [0,2,0,0,0,0|2,0,0]=4 6801 B12R0.276 CCC(C)CCOCC(=O)COC d47a45f3fb83b603efe5e5eea107ddbf [0,2,0,0,0,0|1,0,0]=3 6802 B12R0.276 CCC(S)CCOCC(=O)COC fec57679ee1f0e155db9938b339d44c9 [0,2,0,0,0,0|1,0,0]=3 6803 B12R0.276 CCCC(=O)CNCCC(C)CC 7addffaddc3f54d44ecc8e40d4abba07 [0,2,0,0,0,0|1,0,0]=3 6804 B12R0.276 CCCC(=O)CNCCC(C)CO 5aae0a4b9d2795659040bde0d82892bb [0,2,0,0,0,0|2,0,0]=4 6805 B12R0.276 CCCC(=O)CNCCC(O)CO c72b5ba6fe9946502962ae7613548898 [0,2,0,0,0,0|2,0,0]=4 6806 B12R0.276 CCCC(=O)CNCC[C@@H](C)CO b1c1414adbf69521b3950cdae649abc7 [0,2,0,0,0,0|2,0,0]=4 6807 B12R0.276 CCCC(=O)COCCC(=O)NC 1c7a5e7e2348763c348d8187567e95ea [0,2,0,0,0,0|1,0,1]=4 6808 B12R0.276 CCCC(=O)COCCC(=O)OC e4767c4a9de8a2e6600a4d60f87a6e6c [0,2,0,0,0,0|1,0,1]=4 6809 B12R0.276 CCCC(=O)COCCC(C)CC c7f459959a4b2fe0ac3657eddf397440 [0,2,0,0,0,0|0,0,0]=2 6810 B12R0.276 CCCC(=O)COCCC(C)OC 2912188d150e016287e770c7d5f965b9 [0,2,0,0,0,0|1,0,0]=3 6811 B12R0.276 CCCC(=O)COCCC(S)CC f4e36e7f12be4aa62a14a2df627fe5f0 [0,2,0,0,0,0|0,0,0]=2 6812 B12R0.276 CCCC(=O)COCC[C@@H](C)CC a56882399cd5b386d520ee473b017a1b [0,2,0,0,0,0|0,0,0]=2 6813 B12R0.276 CCCC(=O)NCCCC(=O)OC 0b6d878da113c887b1650eb508a860cf [0,2,0,0,0,0|1,0,1]=4 6814 B12R0.276 CCCC(=O)NCCCC(C)CO b600fdc6d95aeb9b7e936d7c088ccd4e [0,2,0,0,0,0|1,0,0]=3 6815 B12R0.276 CCCC(=O)NCCCN(C)CC 1fa3bb713caffb490857dea70d222b0d [0,2,0,0,0,0|1,0,0]=3 6816 B12R0.276 CCCC(=O)NCCNC(=O)CC b34acb0ac4f8f5b80c853213c5dd2688 [0,2,0,0,0,0|1,0,1]=4 6817 B12R0.276 CCCC(=O)OCCOC(C)C=O faa55f0ac8b4b4d2e06f0e427ca0d559 [0,2,0,0,0,0|1,0,0]=3 6818 B12R0.276 CCCC(=O)OCCOC(C)CC a4a6a2589daf29b089c1916679f2ee47 [0,2,0,0,0,0|0,0,0]=2 6819 B12R0.276 CCCC(=O)OCCO[C@H](C)C=O 56e7f3214d8e6bc3b37cb8c8941b11cf [0,2,0,0,0,0|1,0,0]=3 6820 B12R0.276 CCCC(=O)OCNCC(=O)NC 481054dbe1a6186629c8da61cb1f5cbc [0,2,0,0,0,0|1,0,1]=4 6821 B12R0.276 CCCC(=O)OCNCC(=O)OC 42fc508b3f6855685d2f11bc5b7cf3d2 [0,2,0,0,0,0|1,0,1]=4 6822 B12R0.276 CCCC(=O)OCNCC(Br)CBr 448f4d1124d009ceeb57c006d49bf138 [0,2,0,0,0,0|1,0,0]=3 6823 B12R0.276 CCCC(=O)OCNCC(C)C#N 913e6d0038d42878a829fe2be1819b0f [0,2,0,0,0,0|1,0,0]=3 6824 B12R0.276 CCCC(=O)OCNCC(C)CC e131bf4ecd9f14af8743b770d3a33652 [0,2,0,0,0,0|0,0,0]=2 6825 B12R0.276 CCCC(=O)OCNCC(C)CO 09d7ebd0c3c1fd992192bbbc9d35da1d [0,2,0,0,0,0|1,0,0]=3 6826 B12R0.276 CCCC(=O)OCNCC(F)CO 7d9ca3d8c1d73e9ba011a4ad2d38a16f [0,2,0,0,0,0|1,0,0]=3 6827 B12R0.276 CCCC(=O)OCNCC(O)CC c75b80727e50c6fd43c640c7d3a47288 [0,2,0,0,0,0|0,0,0]=2 6828 B12R0.276 CCCC(=O)OCNCC(O)CO 71884209985bb886eea5d819b34a9195 [0,2,0,0,0,0|1,0,0]=3 6829 B12R0.276 CCCC(=O)OCNC[C@@H](C)CC 32e4757c004e17d1a4c06a6ca7ba9e37 [0,2,0,0,0,0|0,0,0]=2 6830 B12R0.276 CCCC(=O)OCNC[C@@H](F)CO 5a415b825819bf365fcc8ca837be4715 [0,2,0,0,0,0|1,0,0]=3 6831 B12R0.276 CCCC(=O)OCNC[C@@H](O)CO ef05bcb1d5d33a4ad68dea66af85d958 [0,2,0,0,0,0|1,0,0]=3 6832 B12R0.276 CCCC(=O)OCNC[C@H](C)CO 60347cb82e85cda9a87d1b0bdadb98a4 [0,2,0,0,0,0|1,0,0]=3 6833 B12R0.276 CCCC(=O)OCNC[C@H](F)CO 22c3381d99fbf8d4d234dbedbdc4dc86 [0,2,0,0,0,0|1,0,0]=3 6834 B12R0.276 CCCC(=O)OCNC[C@H](O)CC 1ec0baa2338bbf9bb8cd2784e2a15135 [0,2,0,0,0,0|0,0,0]=2 6835 B12R0.276 CCCC(=O)OCNC[C@H](O)CO b67a8e5374b347510b74d5f452370b77 [0,2,0,0,0,0|1,0,0]=3 6836 B12R0.276 CCCC(=O)OCOC/C(=C/I)/C ce03ff234ef9bb0fde892876a38c54f2 [0,2,0,0,0,0|1,0,1]=4 6837 B12R0.276 CCCC(=O)OCOCC(=CI)C 27fd14db72a47cc1784b635c6ff72f0d [0,2,0,0,0,0|1,0,1]=4 6838 B12R0.276 CCCC(=O)OCOCC(=O)CC 1cc4b38efa7c501f34136db55a54cb2f [0,2,0,0,0,0|0,0,1]=3 6839 B12R0.276 CCCC(=O)OCOCC(=O)NC 1e956095281dddd267e59a5175faab35 [0,2,0,0,0,0|1,0,1]=4 6840 B12R0.276 CCCC(=O)OCOCC(=O)OC c5ad0689f3f17cb4ece56825443040d7 [0,2,0,0,0,0|1,0,1]=4 6841 B12R0.276 CCCC(=O)OCOCC(Br)CBr 2e9ab23ca6a96580eadb73cffc706419 [0,2,0,0,0,0|1,0,0]=3 6842 B12R0.276 CCCC(=O)OCOCC(C)C#N d64afe3a7d220de9018a929ea56a0a8c [0,2,0,0,0,0|1,0,0]=3 6843 B12R0.276 CCCC(=O)OCOCC(C)CC 258f6f6dc38197d29685f235e6f4317e [0,2,0,0,0,0|0,0,0]=2 6844 B12R0.276 CCCC(=O)OCOCC(C)OC abb326fae7812ce691471197aba691b4 [0,2,0,0,0,0|1,0,0]=3 6845 B12R0.276 CCCC(=O)OCOCC(Cl)CCl e217f1b1b462eb18e98b4e6d73275aa2 [0,2,0,0,0,0|1,0,0]=3 6846 B12R0.276 CCCC(=O)OCOCC(S)CS 917324717a3ce9f288689d389dc81dcf [0,2,0,0,0,0|1,0,0]=3 6847 B12R0.276 CCCC(=O)OCOC[C@@H](C)CC 251e3f0d67663a862b5bfbc94c847e1e [0,2,0,0,0,0|0,0,0]=2 6848 B12R0.276 CCCC(=O)OCOC[C@@H](C)OC c9982c8169d33534bc352b1045019388 [0,2,0,0,0,0|1,0,0]=3 6849 B12R0.276 CCCC(=O)OCOC[C@H](C)CC 02c7c60e9861764e38c0bd96fa99d3b1 [0,2,0,0,0,0|0,0,0]=2 6850 B12R0.276 CCCC(=O)OCOC[C@H](C)OC 4d700542e33caf8294569daad8c4ed1e [0,2,0,0,0,0|1,0,0]=3 6851 B12R0.276 CCCC(=S)OCCCC(=O)NC d7d5e8fa6a577208ed7cd3bd59b14baa [0,2,0,0,0,0|0,1,1]=4 6852 B12R0.276 CCCC(=S)OCCCC(=O)OC 8fcf57b0290d5df6df42a85499942761 [0,2,0,0,0,0|0,1,1]=4 6853 B12R0.276 CCCC(=S)OCCOC(C)C#N fd2b4dca3db8d58c9fada3d0b955f73f [0,2,0,0,0,0|1,1,0]=4 6854 B12R0.276 CCCC(C)COCCC(C)CC c57fd5b7b9cab09533115f0f42102c9f [0,2,0,0,0,0|1,0,1]=4 6855 B12R0.276 CCCC(C)COCCC(S)CC c66032148a57e3bb241204ca1391415c [0,2,0,0,0,0|1,0,1]=4 6856 B12R0.276 CCCC(C)COCC[C@@H](C)CC 2b007eb7caeae5fd1c33612a863449eb [0,2,0,0,0,0|1,0,1]=4 6857 B12R0.276 CCCC(C)OCCCC(C)CC 066d6e284a4157007d9f519bd7df8f6c [0,2,0,0,0,0|1,0,1]=4 6858 B12R0.276 CCCC(C)OCCCN(C)CC 245c916beb514f2e713fcd9c6ab9c6ec [0,2,0,0,0,0|1,0,1]=4 6859 B12R0.276 CCCC(C)OCCC[C@@H](C)CC 171e035e7e70b79797e5f4f97b2e6d92 [0,2,0,0,0,0|1,0,1]=4 6860 B12R0.276 CCN(C)CCCNC(=O)CCF d98ac508816e549581b19e48e6700aa1 [0,2,0,0,0,0|2,0,0]=4 6861 B12R0.276 CCN(C)CCCNC(=O)CCO 0055fc9dc00c423b8fe573d9aa9d4877 [0,2,0,0,0,0|2,0,0]=4 6862 B12R0.276 CCN(C)CCCNC(=O)CCS a0756f42a6585d30e2ddaa2af9372854 [0,2,0,0,0,0|2,0,0]=4 6863 B12R0.276 CCN(C)CCCNC(=O)COC 48e5748b9e969fb7ed3be429f5e117d5 [0,2,0,0,0,0|2,0,0]=4 6864 B12R0.276 CCN(C)CCCNC(=O)CSC 8bb408ef08475283e59371b420b2d3d2 [0,2,0,0,0,0|2,0,0]=4 6865 B12R0.276 CCNC(=O)CCNCC(C)CC b3c10ae7c9159b42c4092845b03de511 [0,2,0,0,0,0|2,0,0]=4 6866 B12R0.276 CCNC(=O)CCNCC(O)CC 74da289bfe8ebd2ca2559a072d9eca61 [0,2,0,0,0,0|2,0,0]=4 6867 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 0dcb4e7f55d50d2ae288f4c3c756c4c3 [0,2,0,0,0,0|2,0,0]=4 6868 B12R0.276 CCNC(=O)CCNC[C@H](O)CC f05554749c3c12ee8051f446b659889d [0,2,0,0,0,0|2,0,0]=4 6869 B12R0.276 CCNC(=O)CCOCC(C)CC ba199194ab8a8adfb793561c972e3872 [0,2,0,0,0,0|2,0,0]=4 6870 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7de9f41a2f8568af910011644a62fa54 [0,2,0,0,0,0|2,0,0]=4 6871 B12R0.276 CCNC(=O)CCOC[C@H](C)CC 4360ee4ad8f504a29d5f5cb41546e7d6 [0,2,0,0,0,0|2,0,0]=4 6872 B12R0.276 CCNC(=O)CNCCC(C)CC 88576509745e460f777260663369d93d [0,2,0,0,0,0|2,0,0]=4 6873 B12R0.276 CCNC(=O)COCCC(C)CC 5910c5d57e87e53c20428bf29b1acdf3 [0,2,0,0,0,0|1,0,0]=3 6874 B12R0.276 CCNC(=O)COCCC(C)OC d89ecf08745d3d24ad28d56dc6aec01a [0,2,0,0,0,0|2,0,0]=4 6875 B12R0.276 CCNC(=O)COCCC(S)CC cede9677b050f3280794f0a349fd254f [0,2,0,0,0,0|1,0,0]=3 6876 B12R0.276 CCNC(=O)COCCS(=O)CC 9ba4006dacd95019d77f9e31606da9fb [0,2,0,0,0,0|2,0,0]=4 6877 B12R0.276 CCNC(=O)COCC[C@@H](C)CC f7da9b5193a6369da0b6b4813712cdfa [0,2,0,0,0,0|1,0,0]=3 6878 B12R0.276 CCOC(=O)CCCCN(C)CC 4c46b5b23788cb18ec9adaa3b99cf91c [0,2,0,0,0,0|2,0,0]=4 6879 B12R0.276 CCOC(=O)CCCNC(C)CC beb95b7ecc1f2cd05f6df378e369bad3 [0,2,0,0,0,0|2,0,0]=4 6880 B12R0.276 CCOC(=O)CCCN[C@@H](C)CC c08178b231a4920784961cd36d92dba8 [0,2,0,0,0,0|2,0,0]=4 6881 B12R0.276 CCOC(=O)CCCN[C@H](C)CC 1c5836220dc57dd0c7a5a6784b114dfc [0,2,0,0,0,0|2,0,0]=4 6882 B12R0.276 CCOC(=O)CCCOC(C)CC 75fc84fbbc1258a79d9f956ae6e1ad71 [0,2,0,0,0,0|2,0,0]=4 6883 B12R0.276 CCOC(=O)CCCO[C@@H](C)CC 9bb24c6b0eabe1dcd3df53886938874e [0,2,0,0,0,0|2,0,0]=4 6884 B12R0.276 CCOC(=O)CCCO[C@H](C)CC 1434fb0b55fe92d808b5c6f71b926bb6 [0,2,0,0,0,0|2,0,0]=4 6885 B12R0.276 CCOC(=O)CCNCC(C)CC a9834b8974ea52160da23299eafcfe55 [0,2,0,0,0,0|2,0,0]=4 6886 B12R0.276 CCOC(=O)CCNCC(O)CC 6a2ac94f8c1ae2499a8090780abda621 [0,2,0,0,0,0|2,0,0]=4 6887 B12R0.276 CCOC(=O)CCNC[C@@H](C)CC 6e42212600b9c2d83d9aa71b8ec529ac [0,2,0,0,0,0|2,0,0]=4 6888 B12R0.276 CCOC(=O)CCNC[C@H](C)CC b2b631177af9af0e145eeb9c6f369235 [0,2,0,0,0,0|2,0,0]=4 6889 B12R0.276 CCOC(=O)CCNC[C@H](O)CC 763c5747087c8e7488266c5937f544e9 [0,2,0,0,0,0|2,0,0]=4 6890 B12R0.276 CCOC(=O)CCOCC(C)CC f50c84868ccba9a95882f742193ea6b5 [0,2,0,0,0,0|2,0,0]=4 6891 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 0cc6f2becb8f8bc487193870755fc87a [0,2,0,0,0,0|2,0,0]=4 6892 B12R0.276 CCOC(=O)CCOC[C@H](C)CC 8e91b4481829b59b006fe3f233ef7338 [0,2,0,0,0,0|2,0,0]=4 6893 B12R0.276 CCOC(=O)CNCCC(C)CC ea6f45ef3596a93906ed058be6dcab49 [0,2,0,0,0,0|2,0,0]=4 6894 B12R0.276 CCOC(=O)COCCC(C)CC 39cfa337f35e6c5cc1f9ac82d18e2a51 [0,2,0,0,0,0|1,0,0]=3 6895 B12R0.276 CCOC(=O)COCCC(C)OC 81f3bb0a51bae645d40422a9b1844e2b [0,2,0,0,0,0|2,0,0]=4 6896 B12R0.276 CCOC(=O)COCCC(S)CC e9f6fd893f9e46af7bb6010d6bf37b2d [0,2,0,0,0,0|1,0,0]=3 6897 B12R0.276 CCOC(=O)COCCS(=O)CC f2b70581dda2a2903ed15f72cc7e3fa9 [0,2,0,0,0,0|2,0,0]=4 6898 B12R0.276 CCOC(=O)COCC[C@@H](C)CC 6c0a0bcb0a35dcc87ead0eb527257d6c [0,2,0,0,0,0|1,0,0]=3 6899 B12R0.276 CCOC(=O)OCNCC(Br)CBr 3940e26d8469243a1985fd2470f4d3e0 [0,2,0,0,0,0|2,0,0]=4 6900 B12R0.276 CCOC(=O)OCNCC(C)C#N edd38ea17cfabed80e6bd93b55cd8790 [0,2,0,0,0,0|2,0,0]=4 6901 B12R0.276 CCOC(=O)OCNCC(C)CC ce67f7c2fac1bac695caead08dfa240f [0,2,0,0,0,0|1,0,0]=3 6902 B12R0.276 CCOC(=O)OCNCC(C)CO 1cdd3694df55895e4ba3e7974d3615e9 [0,2,0,0,0,0|2,0,0]=4 6903 B12R0.276 CCOC(=O)OCNCC(F)CO d5cb434c92f8333acd78fb55eb2f1758 [0,2,0,0,0,0|2,0,0]=4 6904 B12R0.276 CCOC(=O)OCNCC(O)CC bc950e362832326310658a338130b5c2 [0,2,0,0,0,0|1,0,0]=3 6905 B12R0.276 CCOC(=O)OCNCC(O)CO 06c183a07f216fcfd4036802a095218d [0,2,0,0,0,0|2,0,0]=4 6906 B12R0.276 CCOC(=O)OCNC[C@@H](C)CC f3e2c694011e5c311893aded95f34254 [0,2,0,0,0,0|1,0,0]=3 6907 B12R0.276 CCOC(=O)OCNC[C@@H](C)OC 4da82d031fb03e804bf65e77283f6bdf [0,2,0,0,0,0|2,0,0]=4 6908 B12R0.276 CCOC(=O)OCNC[C@@H](F)CO 4047172b1f86f839672312afcdb98f9f [0,2,0,0,0,0|2,0,0]=4 6909 B12R0.276 CCOC(=O)OCNC[C@@H](O)CO d2db3f4ca65d4912dcc02e86aa2816a8 [0,2,0,0,0,0|2,0,0]=4 6910 B12R0.276 CCOC(=O)OCNC[C@H](C)CO e5ebc01309cc31029dfe95322a6a3097 [0,2,0,0,0,0|2,0,0]=4 6911 B12R0.276 CCOC(=O)OCNC[C@H](C)OC 5e42f50a86f72f5898d4664188e1e3d2 [0,2,0,0,0,0|2,0,0]=4 6912 B12R0.276 CCOC(=O)OCNC[C@H](F)CO 590fc8395fb54c0fc5cf901a83a3bee8 [0,2,0,0,0,0|2,0,0]=4 6913 B12R0.276 CCOC(=O)OCNC[C@H](O)CC 85cf6757e734334cc9c349467a8c3c0a [0,2,0,0,0,0|1,0,0]=3 6914 B12R0.276 CCOC(=O)OCNC[C@H](O)CO 5d3a3a281d8a2bd42ae2be9a1c7c77bb [0,2,0,0,0,0|2,0,0]=4 6915 B12R0.276 CCOC(=O)OCOCC(=O)CC d6a631b74a3f47bd4c01943fc8ae7111 [0,2,0,0,0,0|1,0,1]=4 6916 B12R0.276 CCOC(=O)OCOCC(Br)CBr b0f602ad41d3f5a50787a265c1b49fb7 [0,2,0,0,0,0|2,0,0]=4 6917 B12R0.276 CCOC(=O)OCOCC(C)C#N 39869ecd8da6e84f9ceef134f4fee9bd [0,2,0,0,0,0|2,0,0]=4 6918 B12R0.276 CCOC(=O)OCOCC(C)CC 5dd1fe02f2ca83f0ce9ec7cec01bdc76 [0,2,0,0,0,0|1,0,0]=3 6919 B12R0.276 CCOC(=O)OCOCC(C)OC 01b2f7c3a3951c1893d08e35aba23fe5 [0,2,0,0,0,0|2,0,0]=4 6920 B12R0.276 CCOC(=O)OCOCC(Cl)CCl 493adf9c428cd588d732d6202fa8ad5a [0,2,0,0,0,0|2,0,0]=4 6921 B12R0.276 CCOC(=O)OCOCC(S)CS a69fec4f54a5db4b86a73e593adbca87 [0,2,0,0,0,0|2,0,0]=4 6922 B12R0.276 CCOC(=O)OCOC[C@@H](C)CC 860b4a368a419e432f30fc043ecb7f3a [0,2,0,0,0,0|1,0,0]=3 6923 B12R0.276 CCOC(=O)OCOC[C@@H](C)OC f587479b3c728efc807bd7cdb3d74953 [0,2,0,0,0,0|2,0,0]=4 6924 B12R0.276 CCOC(=O)OCOC[C@H](C)CC b8efb951c46cdcdf97c7330081b9cf2c [0,2,0,0,0,0|1,0,0]=3 6925 B12R0.276 CCOC(=O)OCOC[C@H](C)OC eec1b824d02aad6aed97c9ff1692509f [0,2,0,0,0,0|2,0,0]=4 6926 B12R0.276 CCSC(=O)OCNCC(Br)CBr 50ce54dfd1213472b5da033f8fd5a257 [0,2,0,0,0,0|2,0,0]=4 6927 B12R0.276 CCSC(=O)OCNCC(C)C#N a062a4911060fdd8bb7033a0fbf663f0 [0,2,0,0,0,0|2,0,0]=4 6928 B12R0.276 CCSC(=O)OCNCC(C)CC 0771ae3aff54e91198ca3e0f435b1480 [0,2,0,0,0,0|1,0,0]=3 6929 B12R0.276 CCSC(=O)OCNCC(C)CO bff0322b8291e9999c2e209322d92013 [0,2,0,0,0,0|2,0,0]=4 6930 B12R0.276 CCSC(=O)OCNCC(F)CO a375576fe76e92340b46f8a339945e5c [0,2,0,0,0,0|2,0,0]=4 6931 B12R0.276 CCSC(=O)OCNCC(O)CC c650d228591b82be9bc7d0afac5fa5df [0,2,0,0,0,0|1,0,0]=3 6932 B12R0.276 CCSC(=O)OCNCC(O)CO c04f534f9ecde14b88d77a76aacffb3a [0,2,0,0,0,0|2,0,0]=4 6933 B12R0.276 CCSC(=O)OCNC[C@@H](C)CC 640d4863cd97e1d261d65d3dd3cd2fc9 [0,2,0,0,0,0|1,0,0]=3 6934 B12R0.276 CCSC(=O)OCNC[C@@H](C)OC 090b1fe800742ddf3a358a1b47ef2470 [0,2,0,0,0,0|2,0,0]=4 6935 B12R0.276 CCSC(=O)OCNC[C@@H](F)CO 2b67d2034272735d0fc248e4de8ac489 [0,2,0,0,0,0|2,0,0]=4 6936 B12R0.276 CCSC(=O)OCNC[C@@H](O)CO 0bb1de1240bf763d4fa6b3b5da02d2da [0,2,0,0,0,0|2,0,0]=4 6937 B12R0.276 CCSC(=O)OCNC[C@H](C)CO 8eb22d31269bf65a435d2d54af6ce611 [0,2,0,0,0,0|2,0,0]=4 6938 B12R0.276 CCSC(=O)OCNC[C@H](C)OC bfed6f5695ff7ecca49f2033f1580daa [0,2,0,0,0,0|2,0,0]=4 6939 B12R0.276 CCSC(=O)OCNC[C@H](F)CO 8028e6464a4fa62b04648de6b9621587 [0,2,0,0,0,0|2,0,0]=4 6940 B12R0.276 CCSC(=O)OCNC[C@H](O)CC 6774e03ea076ee210f5af50c3ebd831d [0,2,0,0,0,0|1,0,0]=3 6941 B12R0.276 CCSC(=O)OCNC[C@H](O)CO 9d5ea77a1aaa59fd564adb1b60055057 [0,2,0,0,0,0|2,0,0]=4 6942 B12R0.276 CCSC(=O)OCOCC(=O)CC a03ac965041727aa71d235d3ac539ff1 [0,2,0,0,0,0|1,0,1]=4 6943 B12R0.276 CCSC(=O)OCOCC(Br)CBr 20ebef347def0d42c3399a6c66839745 [0,2,0,0,0,0|2,0,0]=4 6944 B12R0.276 CCSC(=O)OCOCC(C)C#N 5ff964100bfd3afe3e7b00e07bf6a577 [0,2,0,0,0,0|2,0,0]=4 6945 B12R0.276 CCSC(=O)OCOCC(C)CC 737e8d608f70319ee9c954f1048fc9f6 [0,2,0,0,0,0|1,0,0]=3 6946 B12R0.276 CCSC(=O)OCOCC(C)OC df1e54543fdf0ccc72ac5a26e32b97a8 [0,2,0,0,0,0|2,0,0]=4 6947 B12R0.276 CCSC(=O)OCOCC(Cl)CCl 40dfd7f2fb4e5f8887de98a57148e7fb [0,2,0,0,0,0|2,0,0]=4 6948 B12R0.276 CCSC(=O)OCOCC(S)CS bb5a7790fa9094a0903effbef05cb3aa [0,2,0,0,0,0|2,0,0]=4 6949 B12R0.276 CCSC(=O)OCOC[C@@H](C)CC 8a401127dd577af72ae336bc849b2aca [0,2,0,0,0,0|1,0,0]=3 6950 B12R0.276 CCSC(=O)OCOC[C@@H](C)OC 10bf4f3e778dccbbeae6a2e2a096dba2 [0,2,0,0,0,0|2,0,0]=4 6951 B12R0.276 CCSC(=O)OCOC[C@H](C)CC 087943ef20d3aa760d8dbc436337ca8e [0,2,0,0,0,0|1,0,0]=3 6952 B12R0.276 CCSC(=O)OCOC[C@H](C)OC a870cf66788f84c7e17a223cf15926ca [0,2,0,0,0,0|2,0,0]=4 6953 B12R0.276 CC[C@H](C)CCOCC(=O)COC b0edb295c3119f3756a3b88562b66801 [0,2,0,0,0,0|1,0,0]=3 6954 B12R0.276 COCC(=O)COCCC(C)OC c9fe9acc2a7a2e776f3ff04b2f72fed2 [0,2,0,0,0,0|2,0,0]=4 6955 B12R0.276 COCC(=O)NCCCC(C)CO 1296c0f4ce7d415377a0ae8d20c856a9 [0,2,0,0,0,0|2,0,0]=4 6956 B12R0.276 CSCC(=O)NCCCC(C)CO c9deda695b4db51554ebd709e90bf852 [0,2,0,0,0,0|2,0,0]=4 6957 B12R0.277 C=C(Br)CCOCOC(=O)CCC cb5ac057055f2869d97228fe29112a65 [0,2,0,0,0,0|0,0,2]=4 6958 B12R0.277 C=C(Br)COCCOC(=O)CCC 3bb820b41eb69f1a29278d584ca29d72 [0,2,0,0,0,0|0,0,2]=4 6959 B12R0.277 C=C(C)CCCOCC(=O)CCC 15567e2063ef3c8dbad61b4f8844c85f [0,2,0,0,0,0|0,0,1]=3 6960 B12R0.277 C=C(C)CCCOCC(=O)NCC 976f55e16101d396f91852bbb48c8452 [0,2,0,0,0,0|1,0,1]=4 6961 B12R0.277 C=C(C)CCCOCC(=O)OCC 1488a3fa5f53efe68b03ab57806c8178 [0,2,0,0,0,0|1,0,1]=4 6962 B12R0.277 C=C(C)CCNCOC(=O)CCC 718f135d0ef334333fd3d85719ddd1c0 [0,2,0,0,0,0|0,0,1]=3 6963 B12R0.277 C=C(C)CCNCOC(=O)OCC 24ac607a207c8d224770cdaf2d9690de [0,2,0,0,0,0|1,0,1]=4 6964 B12R0.277 C=C(C)CCNCOC(=O)SCC 6cfc3fde95121509f57e2d2ad4e190c2 [0,2,0,0,0,0|1,0,1]=4 6965 B12R0.277 C=C(C)CCOCOC(=O)CCC dc0907f83cbf3c0caf4cc1f7d4caf09e [0,2,0,0,0,0|0,0,1]=3 6966 B12R0.277 C=C(C)CCOCOC(=O)OCC c76cd24d36225b28eb3f7407c98979b1 [0,2,0,0,0,0|1,0,1]=4 6967 B12R0.277 C=C(C)CCOCOC(=O)SCC c0c3e88b036c45d58401a8432d19e986 [0,2,0,0,0,0|1,0,1]=4 6968 B12R0.277 C=C(C)COCCOC(=O)CCC 58eca89829538ab29e3630ff0e963d23 [0,2,0,0,0,0|0,0,1]=3 6969 B12R0.277 C=C(Cl)COCCOC(=O)CCC 0c376834088fc7e065fade1bdf40eff4 [0,2,0,0,0,0|0,0,2]=4 6970 B12R0.277 C=C(F)COCCOC(=O)CCC a2abe5d12d431cb48e14c4218dab1305 [0,2,0,0,0,0|0,0,2]=4 6971 B12R0.277 CC(C)OCCCNC(=O)CCF 42b84f18bbb6ef8b89d9459a0f5371d2 [0,2,0,0,0,0|2,0,0]=4 6972 B12R0.277 CC(C)OCCCNC(=O)CCO c988fad3e900765b552697d4293b6170 [0,2,0,0,0,0|2,0,0]=4 6973 B12R0.277 CC(C)OCCCNC(=O)CCS 441c6fe6b5387b18b85b78e65e60b6cf [0,2,0,0,0,0|2,0,0]=4 6974 B12R0.277 CC(C)SCCCNC(=O)CCF 1be2f6432dc153fd16f2b10718f6d228 [0,2,0,0,0,0|2,0,0]=4 6975 B12R0.277 CC(C)SCCCNC(=O)CCO 273d0dd7673147aeaf3364b5159ff651 [0,2,0,0,0,0|2,0,0]=4 6976 B12R0.277 CC(C)SCCCNC(=O)CCS 8f71df9cfdbab70d6d0a66eae4bedfe5 [0,2,0,0,0,0|2,0,0]=4 6977 B12R0.277 CCCC(=O)CNCCCC(C)C 0cdf7a83896c98113f3d6ee9b4f8b347 [0,2,0,0,0,0|1,0,0]=3 6978 B12R0.277 CCCC(=O)CNCCCN(C)C d113a0693f7e2b10977ecaea43172d50 [0,2,0,0,0,0|2,0,0]=4 6979 B12R0.277 CCCC(=O)CNCCCS(=O)C 1e547fc311c9977416caf5a658ce95ed [0,2,0,0,0,0|2,0,0]=4 6980 B12R0.277 CCCC(=O)CNCCOC(C)C 8450825829bb687d6cf88f4d65d612c3 [0,2,0,0,0,0|2,0,0]=4 6981 B12R0.277 CCCC(=O)COCCCC(=O)C 3da7cdfec4b00cb21b32b8839e58b887 [0,2,0,0,0,0|0,0,1]=3 6982 B12R0.277 CCCC(=O)COCCCC(=O)N 95586b89c00fd2eeeec75803d75eabb3 [0,2,0,0,0,0|1,0,1]=4 6983 B12R0.277 CCCC(=O)COCCCC(C)C 88358ad6a6c24db94213aaeac694703b [0,2,0,0,0,0|0,0,0]=2 6984 B12R0.277 CCCC(=O)COCCCN(C)C 112ba11ee26b51a3bdb59e382ee481f3 [0,2,0,0,0,0|1,0,0]=3 6985 B12R0.277 CCCC(=O)COCCC[N+](=O)[O-] aeb74027d0451e78c6b82dc85ea0a2f8 [0,2,0,0,0,0|2,0,0]=4 6986 B12R0.277 CCCC(=O)COCCNC(=O)C 51e75085f8521ff18992744c15314b2a [0,2,0,0,0,0|1,0,1]=4 6987 B12R0.277 CCCC(=O)COCCOC(=O)C b817b58f6bb7b450f9b74cd3788e0109 [0,2,0,0,0,0|1,0,1]=4 6988 B12R0.277 CCCC(=O)COCCOC(C)C c5c4b49f543d5c91a603dfc580536f3a [0,2,0,0,0,0|1,0,0]=3 6989 B12R0.277 CCCC(=O)COCCOC(F)F 9d34ba0a7eeff166d886fe1d0a41604f [0,2,0,0,0,0|2,0,0]=4 6990 B12R0.277 CCCC(=O)COCCSC(C)C 74eb5553f94685f9492cc589b608fe20 [0,2,0,0,0,0|1,0,0]=3 6991 B12R0.277 CCCC(=O)NCCCCC(=O)N af77c9a5c874ca907535496a4bb9fb31 [0,2,0,0,0,0|1,0,1]=4 6992 B12R0.277 CCCC(=O)NCCCCC(F)F 86234ea576e3843c61c39e5a6683f5b2 [0,2,0,0,0,0|1,0,0]=3 6993 B12R0.277 CCCC(=O)NCCCCN(C)C 4182b619231052c36819d74b2518b6d1 [0,2,0,0,0,0|1,0,0]=3 6994 B12R0.277 CCCC(=O)NCCCNC(=O)C 4413e7d114a94d9c7c76635d835c1c37 [0,2,0,0,0,0|1,0,1]=4 6995 B12R0.277 CCCC(=O)NCCCOC(C)C e987865254bd6cf15cecf0cd05fee4e5 [0,2,0,0,0,0|1,0,0]=3 6996 B12R0.277 CCCC(=O)NCCCOC(F)F 6d8608ae862494b150c918af623673b0 [0,2,0,0,0,0|2,0,0]=4 6997 B12R0.277 CCCC(=O)NCCCSC(C)C 85f371fa37a3cc4b41a944250493f1d6 [0,2,0,0,0,0|1,0,0]=3 6998 B12R0.277 CCCC(=O)OCCOCC(=O)N c474b6eee5b5952a20b9222f9dba0507 [0,2,0,0,0,0|1,0,1]=4 6999 B12R0.277 CCCC(=O)OCCOCC(=O)O 89933d1110b8ce948602a9794348091c [0,2,0,0,0,0|1,0,1]=4 7000 B12R0.277 CCCC(=O)OCCOCC(C)C 0d6c23e4e2c081651a9e8ed36175fa54 [0,2,0,0,0,0|0,0,0]=2 7001 B12R0.277 CCCC(=O)OCCOCC(F)F 1caa82f8d0ed1abd173f33246a405d3f [0,2,0,0,0,0|1,0,0]=3 7002 B12R0.277 CCCC(=O)OCCOCN(C)C 027b2bfe613a9d2ec218fb7953e92d44 [0,2,0,0,0,0|1,0,0]=3 7003 B12R0.277 CCCC(=O)OCCOC[N+](=O)[O-] ac98ac548858c3c42d7cabad78781839 [0,2,0,0,0,0|2,0,0]=4 7004 B12R0.277 CCCC(=O)OCNCC=C(C)C b112877f73d041d55e57c042c580e903 [0,2,0,0,0,0|0,0,2]=4 7005 B12R0.277 CCCC(=O)OCNCCC(=O)N 3d11c637d10108d765759ffb9431555f [0,2,0,0,0,0|1,0,1]=4 7006 B12R0.277 CCCC(=O)OCNCCC(=O)O 97fec4354faadaaf08fb19f425c27587 [0,2,0,0,0,0|1,0,1]=4 7007 B12R0.277 CCCC(=O)OCNCCC(=S)N b734898188ae6054474fda8bbdfbe1c2 [0,2,0,0,0,0|1,0,1]=4 7008 B12R0.277 CCCC(=O)OCNCCC(C)C 3965b5f710098be8254116ed16eb6bd2 [0,2,0,0,0,0|0,0,0]=2 7009 B12R0.277 CCCC(=O)OCNCCC(C)O 850e8804b12e9cd489ab622800f4ee35 [0,2,0,0,0,0|0,0,0]=2 7010 B12R0.277 CCCC(=O)OCNCCC(F)F ca2146e7818c5ca6da1d645c0422ed3c [0,2,0,0,0,0|1,0,0]=3 7011 B12R0.277 CCCC(=O)OCNCCN(C)C 080c392b40d7582f1077e90c935a8a25 [0,2,0,0,0,0|1,0,0]=3 7012 B12R0.277 CCCC(=O)OCNCCS(=O)C dc2a7a2c1ee143246bad16387828f477 [0,2,0,0,0,0|1,0,0]=3 7013 B12R0.277 CCCC(=O)OCNCCS(=O)O 6cc732e49baca539a6222a77fcc97d26 [0,2,0,0,0,0|2,0,0]=4 7014 B12R0.277 CCCC(=O)OCNCC[C@@H](C)O cb4e9dadadc81a8e9356bc9ea2288ae0 [0,2,0,0,0,0|0,0,0]=2 7015 B12R0.277 CCCC(=O)OCNCC[C@H](C)O 23dd082ae5f991062ed03dac0cee15c4 [0,2,0,0,0,0|0,0,0]=2 7016 B12R0.277 CCCC(=O)OCOC/C=C(/C)\Cl 3ae90d4a983d00c6fd13f100686286bf [0,2,0,0,0,0|0,0,2]=4 7017 B12R0.277 CCCC(=O)OCOC/C=C(/C)\I 5e13c77e14d519b86a39064f2ebbe0dd [0,2,0,0,0,0|0,0,2]=4 7018 B12R0.277 CCCC(=O)OCOCC=C(C)C e1898a86800b705380c4ef0ee89e0c48 [0,2,0,0,0,0|0,0,2]=4 7019 B12R0.277 CCCC(=O)OCOCC=C(C)I b64d7b4966827a68d708110b6dc7f332 [0,2,0,0,0,0|0,0,2]=4 7020 B12R0.277 CCCC(=O)OCOCCC(=O)C bb4b9eb1eb38071e94a026175dfc08dd [0,2,0,0,0,0|0,0,1]=3 7021 B12R0.277 CCCC(=O)OCOCCC(=O)N c08ba1a9afe697745a6303f333444bbb [0,2,0,0,0,0|1,0,1]=4 7022 B12R0.277 CCCC(=O)OCOCCC(=O)O c56a4b85a15880f8b5907394159ffc2a [0,2,0,0,0,0|1,0,1]=4 7023 B12R0.277 CCCC(=O)OCOCCC(C)C e62877fa3856a6a73a06deeca331957a [0,2,0,0,0,0|0,0,0]=2 7024 B12R0.277 CCCC(=O)OCOCCC(F)F a2041d77db6335b0700c39d642b79ca3 [0,2,0,0,0,0|1,0,0]=3 7025 B12R0.277 CCCC(=O)OCOCCN(C)C 0e2366aff4a3161a7f9834838f6be9a3 [0,2,0,0,0,0|1,0,0]=3 7026 B12R0.277 CCCC(=O)OCOCCS(=O)C 2672d65c32e91aa2e381b7e14655f9c1 [0,2,0,0,0,0|1,0,0]=3 7027 B12R0.277 CCCC(=O)OCOCC[N+](=O)[O-] 982e9c538f020dbc530036c1a470f02a [0,2,0,0,0,0|2,0,0]=4 7028 B12R0.277 CCCC(=O)OCOCNC(=O)C 9aa76d62919081d9433e291ec61d7e09 [0,2,0,0,0,0|1,0,1]=4 7029 B12R0.277 CCCC(=S)OCCCCC(=O)C a2e82c96d735074b4c0a092227d3252c [0,2,0,0,0,0|0,1,0]=3 7030 B12R0.277 CCCC(=S)OCCCCC(=O)N 800bf5053b8558c386b96f0525fbd8b5 [0,2,0,0,0,0|0,1,1]=4 7031 B12R0.277 CCCC(=S)OCCCCC(=O)O 6070e263c9934b8f3ce4ebb547e550c1 [0,2,0,0,0,0|0,1,1]=4 7032 B12R0.277 CCCC(=S)OCCCCC(C)C f4a18bc73988d6655c431a725b3b188c [0,2,0,0,0,0|0,1,0]=3 7033 B12R0.277 CCCC(=S)OCCCCN(C)C d2debb01878c9285baee020a60c892f1 [0,2,0,0,0,0|0,1,0]=3 7034 B12R0.277 CCCC(=S)OCCCNC(=O)C efad9d73bec3dc1fc8f9d731bcd780b2 [0,2,0,0,0,0|0,1,1]=4 7035 B12R0.277 CCCC(=S)OCCCOC(=O)C 9c8f2b39e565f97aa8f192172b23d14d [0,2,0,0,0,0|0,1,1]=4 7036 B12R0.277 CCCC(=S)OCCCOC(=S)C c10a3e328666320fc7aafb846ae44e73 [0,2,0,0,0,0|0,1,1]=4 7037 B12R0.277 CCCC(=S)OCCCSC(=O)C 2cf0c460925cbd211ea959bbe9eda027 [0,2,0,0,0,0|0,1,1]=4 7038 B12R0.277 CCCC(=S)OCCOCC(C)C 0b3dcec2de2387c3c681a7dff96718b9 [0,2,0,0,0,0|0,1,0]=3 7039 B12R0.277 CCCC(=S)OCCOCC(F)F ccbc9febe843812b74c90a5670ae8277 [0,2,0,0,0,0|1,1,0]=4 7040 B12R0.277 CCCC(C)COCCCC(C)C 0f0b1d43da07d56128e45b7efa4e1227 [0,2,0,0,0,0|1,0,1]=4 7041 B12R0.277 CCCC(C)OCCCCC(=O)C 9dbd5df0d94253a9bce24f8736363f9a [0,2,0,0,0,0|1,0,1]=4 7042 B12R0.277 CCCC(C)OCCCCC(C)C 78d3712ca26412aee34799bb98d1f532 [0,2,0,0,0,0|1,0,1]=4 7043 B12R0.277 CCCC(C)OCCCCN(C)C b27d10c4307554b0b76c04d7e64c02ce [0,2,0,0,0,0|1,0,1]=4 7044 B12R0.277 CCCC(C)OCCCOC(C)C 3bce41277ad645dd6168acaaf2bf49bc [0,2,0,0,0,0|1,0,1]=4 7045 B12R0.277 CCCC(C)OCCCSC(C)C 1576a083c1e7ae9d52b6ffe0042f0108 [0,2,0,0,0,0|1,0,1]=4 7046 B12R0.277 CCCC(C)OCCOCC(C)C 710b673b99e4a963f4cb00348a264b6d [0,2,0,0,0,0|1,0,1]=4 7047 B12R0.277 CCCC(C)OCCSCC(C)C c60b57ab36ea118e35c55f6ba44bbfda [0,2,0,0,0,0|1,0,1]=4 7048 B12R0.277 CCC[C@@H](C)OCCCCC(=O)C 7248a6fb31744d0b559a9ff3aaf92f41 [0,2,0,0,0,0|1,0,1]=4 7049 B12R0.277 CCC[C@@H](C)OCCCCC(C)C ba703a8dbc150d293dd063086b33a27d [0,2,0,0,0,0|1,0,1]=4 7050 B12R0.277 CCC[C@@H](C)OCCCCN(C)C 6a121b1d08033a1657888355f0890bb5 [0,2,0,0,0,0|1,0,1]=4 7051 B12R0.277 CCC[C@@H](C)OCCOCC(C)C c298896749fae127bb9d62141dfbdcf9 [0,2,0,0,0,0|1,0,1]=4 7052 B12R0.277 CCC[C@H](C)OCCCCC(=O)C ac1027ae345aef78f745b2c44295b221 [0,2,0,0,0,0|1,0,1]=4 7053 B12R0.277 CCC[C@H](C)OCCCCC(C)C ab1f946a7b6a9f6e01e7458e8b303e53 [0,2,0,0,0,0|1,0,1]=4 7054 B12R0.277 CCC[C@H](C)OCCCCN(C)C bcef5bf14f5163308a6a0868f59c1b6f [0,2,0,0,0,0|1,0,1]=4 7055 B12R0.277 CCC[C@H](C)OCCOCC(C)C 2f0b7337b13ee9572ef847599ab8baab [0,2,0,0,0,0|1,0,1]=4 7056 B12R0.277 CCNC(=O)CCNCCC(C)C 0c1ff574b56eb1349559660fff5635da [0,2,0,0,0,0|2,0,0]=4 7057 B12R0.277 CCNC(=O)CCNCCC(C)O bcdeb67ab908eee44ca848a407f3ab75 [0,2,0,0,0,0|2,0,0]=4 7058 B12R0.277 CCNC(=O)CCNCC[C@@H](C)O ec0ab9d2c8c6918d6a1fa6425555f5d0 [0,2,0,0,0,0|2,0,0]=4 7059 B12R0.277 CCNC(=O)CCNCC[C@H](C)O 3e9ef350420b5fdb373d88c2d5b9968e [0,2,0,0,0,0|2,0,0]=4 7060 B12R0.277 CCNC(=O)CCOCCC(C)C ad0d4297976c009ca2f0904c79866338 [0,2,0,0,0,0|2,0,0]=4 7061 B12R0.277 CCNC(=O)CNCCCC(C)C 796833fb5f98772806b7f56bfd91a86a [0,2,0,0,0,0|2,0,0]=4 7062 B12R0.277 CCNC(=O)CNCCCC(C)O e783a7c58886e23e2fb89c4e95dbfc2d [0,2,0,0,0,0|2,0,0]=4 7063 B12R0.277 CCNC(=O)COCCCC(=O)C 70314c02966a0b739e176abe8dbe40f8 [0,2,0,0,0,0|1,0,1]=4 7064 B12R0.277 CCNC(=O)COCCCC(C)C a86274b222a3444b55da3f452ef4a38a [0,2,0,0,0,0|1,0,0]=3 7065 B12R0.277 CCNC(=O)COCCCN(C)C 2645d1cd5b32ccc8b7e41caff68a39df [0,2,0,0,0,0|2,0,0]=4 7066 B12R0.277 CCNC(=O)COCCOC(C)C 348f9b97d2506d5fa72be86e7ecee36b [0,2,0,0,0,0|2,0,0]=4 7067 B12R0.277 CCNC(=O)COCCSC(C)C 89538df9ff8670985f2441a828c40e80 [0,2,0,0,0,0|2,0,0]=4 7068 B12R0.277 CCOC(=O)CCCCOC(C)C f3f61d767de38b4c202188e052cd53f4 [0,2,0,0,0,0|2,0,0]=4 7069 B12R0.277 CCOC(=O)CCCNCC(C)C 37577ea8273c37fa0f024c5a801b3c8a [0,2,0,0,0,0|2,0,0]=4 7070 B12R0.277 CCOC(=O)CCCNCC(C)O 2bb980d483073a5e1e64291d4c5a40af [0,2,0,0,0,0|2,0,0]=4 7071 B12R0.277 CCOC(=O)CCCNC[C@@H](C)O 9aa0a14ad291c6708b69afdfdd195db0 [0,2,0,0,0,0|2,0,0]=4 7072 B12R0.277 CCOC(=O)CCCNC[C@H](C)O d98fae9006d8a436fc0a00ba0cd457b6 [0,2,0,0,0,0|2,0,0]=4 7073 B12R0.277 CCOC(=O)CCCOCC(C)C 923f88dd2cb088ddfc5e4c57922038c7 [0,2,0,0,0,0|2,0,0]=4 7074 B12R0.277 CCOC(=O)CCCOCC(C)F 0c46fe8228c71600963b43a1d1a8c5ae [0,2,0,0,0,0|2,0,0]=4 7075 B12R0.277 CCOC(=O)CCCOC[C@@H](C)F 027fe5b59de7c5690382b9a3b05567c1 [0,2,0,0,0,0|2,0,0]=4 7076 B12R0.277 CCOC(=O)CCCOC[C@H](C)F 1a721946a4f67f90bbe07126b1541ade [0,2,0,0,0,0|2,0,0]=4 7077 B12R0.277 CCOC(=O)CCNCCC(C)C b62b055ffc8a45dbac9b37d6fa24df83 [0,2,0,0,0,0|2,0,0]=4 7078 B12R0.277 CCOC(=O)CCNCCC(C)O 252a56285d599d0215b45d68cc06812e [0,2,0,0,0,0|2,0,0]=4 7079 B12R0.277 CCOC(=O)CCNCC[C@@H](C)O 7cc7e4d38b41c44cc413bcb91741ee10 [0,2,0,0,0,0|2,0,0]=4 7080 B12R0.277 CCOC(=O)CCNCC[C@H](C)O a950f3606ed5f3183a59c098fa5fe67a [0,2,0,0,0,0|2,0,0]=4 7081 B12R0.277 CCOC(=O)CCOCCC(C)C afb058a10dc409ef9cc2cfb3331a0d25 [0,2,0,0,0,0|2,0,0]=4 7082 B12R0.277 CCOC(=O)CNCCCC(C)C 6966206b057a4188d55e7cd5454b5769 [0,2,0,0,0,0|2,0,0]=4 7083 B12R0.277 CCOC(=O)CNCCCC(C)O d228d62bbcbbbb914689e8a6d3958f86 [0,2,0,0,0,0|2,0,0]=4 7084 B12R0.277 CCOC(=O)COCCCC(=O)C fc928505d6065271a63f1efd4a2706c3 [0,2,0,0,0,0|1,0,1]=4 7085 B12R0.277 CCOC(=O)COCCCC(C)C a952fed1079630c5887f4b737aece31a [0,2,0,0,0,0|1,0,0]=3 7086 B12R0.277 CCOC(=O)COCCCN(C)C a64935eafdd67acefab76f7120a89498 [0,2,0,0,0,0|2,0,0]=4 7087 B12R0.277 CCOC(=O)COCCOC(C)C f57416c66a94e8a0ea1935be4077c93a [0,2,0,0,0,0|2,0,0]=4 7088 B12R0.277 CCOC(=O)COCCSC(C)C db0b2a9ef6a32217b7975794ac4635d6 [0,2,0,0,0,0|2,0,0]=4 7089 B12R0.277 CCOC(=O)OCNCCC(C)C 4408a20985ab60683a765288a1c912ba [0,2,0,0,0,0|1,0,0]=3 7090 B12R0.277 CCOC(=O)OCNCCC(C)O 005e84eaf1121e82bf0acfbb002425d8 [0,2,0,0,0,0|1,0,0]=3 7091 B12R0.277 CCOC(=O)OCNCCC(F)F 4b592d81c35d14c23a059b5e7267fd0b [0,2,0,0,0,0|2,0,0]=4 7092 B12R0.277 CCOC(=O)OCNCCN(C)C 8535aa7807e39c969c153fecd85beb45 [0,2,0,0,0,0|2,0,0]=4 7093 B12R0.277 CCOC(=O)OCNCCS(=O)C 8df5b056b7653572a9f24d5a5c3f6a4b [0,2,0,0,0,0|2,0,0]=4 7094 B12R0.277 CCOC(=O)OCNCC[C@@H](C)O 00ad70a09f2676422485fefb42d4285a [0,2,0,0,0,0|1,0,0]=3 7095 B12R0.277 CCOC(=O)OCNCC[C@H](C)O 84eb2180f2db34e9785c07fad8219812 [0,2,0,0,0,0|1,0,0]=3 7096 B12R0.277 CCOC(=O)OCOCCC(=O)C 65638ad0c47302a6796784afb047cfcf [0,2,0,0,0,0|1,0,1]=4 7097 B12R0.277 CCOC(=O)OCOCCC(C)C c69b290c3812ad755d70a52f37fe512d [0,2,0,0,0,0|1,0,0]=3 7098 B12R0.277 CCOC(=O)OCOCCC(F)F 471ea2afd3d4e10a22278518fcf14be6 [0,2,0,0,0,0|2,0,0]=4 7099 B12R0.277 CCOC(=O)OCOCCN(C)C cd68da3aec1baec9e267c17358c39180 [0,2,0,0,0,0|2,0,0]=4 7100 B12R0.277 CCOC(=O)OCOCCS(=O)C 20cc10da0376cccd7cea658230195054 [0,2,0,0,0,0|2,0,0]=4 7101 B12R0.277 CCSC(=O)OCNCCC(C)C 36c4cb5ddf8ec5b567dd9b2ee668e81a [0,2,0,0,0,0|1,0,0]=3 7102 B12R0.277 CCSC(=O)OCNCCC(C)O ad531fb727a7cae866ec3c238dab803d [0,2,0,0,0,0|1,0,0]=3 7103 B12R0.277 CCSC(=O)OCNCCC(F)F 7df40983a97326c77fc47390645393bd [0,2,0,0,0,0|2,0,0]=4 7104 B12R0.277 CCSC(=O)OCNCCN(C)C 4fae9b313fbdd9f45a859dc17c084d7e [0,2,0,0,0,0|2,0,0]=4 7105 B12R0.277 CCSC(=O)OCNCCS(=O)C b86d9914223a2709fc67f2c5b6107837 [0,2,0,0,0,0|2,0,0]=4 7106 B12R0.277 CCSC(=O)OCNCC[C@@H](C)O 7e04741be40ae98c62bed7acbd68a3a1 [0,2,0,0,0,0|1,0,0]=3 7107 B12R0.277 CCSC(=O)OCNCC[C@H](C)O 62229ed0c9d5c607a62524a3f3b227e0 [0,2,0,0,0,0|1,0,0]=3 7108 B12R0.277 CCSC(=O)OCOCCC(=O)C eb58d1c9aeb4310646286f0c4fd7624b [0,2,0,0,0,0|1,0,1]=4 7109 B12R0.277 CCSC(=O)OCOCCC(C)C e5f92dfc7dc8e16e2fb5cdfc77cf47a1 [0,2,0,0,0,0|1,0,0]=3 7110 B12R0.277 CCSC(=O)OCOCCC(F)F e6f93fd1a6694dbc5cfdb8b6a1af3924 [0,2,0,0,0,0|2,0,0]=4 7111 B12R0.277 CCSC(=O)OCOCCN(C)C 4dbf894587ed0616673c00f670a2965a [0,2,0,0,0,0|2,0,0]=4 7112 B12R0.277 CCSC(=O)OCOCCS(=O)C c4ae4934edf9588131742a195e18ffb0 [0,2,0,0,0,0|2,0,0]=4 7113 B12R0.277 CN(C)CCCCNC(=O)CCF 15490845b0328d3ed54cba7dac03e6c7 [0,2,0,0,0,0|2,0,0]=4 7114 B12R0.277 CN(C)CCCCNC(=O)CCO 553701e42e79d7d9006038247014a292 [0,2,0,0,0,0|2,0,0]=4 7115 B12R0.277 CN(C)CCCCNC(=O)CCS f08e75094acfc257675a2c43a74f3b2a [0,2,0,0,0,0|2,0,0]=4 7116 B12R0.277 COCC(=O)CNCCCC(C)C 4002959bd1fa17d486c729911f052eab [0,2,0,0,0,0|2,0,0]=4 7117 B12R0.277 COCC(=O)COCCCC(C)C e758f8db5e61f47d3d9ebd5e89557a0a [0,2,0,0,0,0|1,0,0]=3 7118 B12R0.277 COCC(=O)COCCCN(C)C d2ebf67bc70eb3abd69ce10fbf72cbaf [0,2,0,0,0,0|2,0,0]=4 7119 B12R0.277 COCC(=O)COCCOC(C)C 7baad87267dacf530b6f039155437fef [0,2,0,0,0,0|2,0,0]=4 7120 B12R0.277 COCC(=O)COCCSC(C)C f4bac410efff14b812e690079347fc8a [0,2,0,0,0,0|2,0,0]=4 7121 B12R0.277 COCC(=O)NCCCCC(F)F 23ce2b6d47b40a26004ebc19b02afabb [0,2,0,0,0,0|2,0,0]=4 7122 B12R0.277 COCC(=O)NCCCCN(C)C 198eef1bad46d0f9db44a5ae97317a57 [0,2,0,0,0,0|2,0,0]=4 7123 B12R0.277 COCC(=O)NCCCOC(C)C 2beafedcd31a9deb2531d991a299bd25 [0,2,0,0,0,0|2,0,0]=4 7124 B12R0.277 COCC(=O)NCCCSC(C)C b93b2e4e77f0b6e0730a6beff38bbc40 [0,2,0,0,0,0|2,0,0]=4 7125 B12R0.277 CSCC(=O)NCCCCC(F)F 7084e8d18245e69aa9e9f8e94f2a5a44 [0,2,0,0,0,0|2,0,0]=4 7126 B12R0.277 CSCC(=O)NCCCCN(C)C 2d3419ee9bc4663644bb087da89cb756 [0,2,0,0,0,0|2,0,0]=4 7127 B12R0.277 CSCC(=O)NCCCOC(C)C 343ab8e4ff88541d7390279ff6840e60 [0,2,0,0,0,0|2,0,0]=4 7128 B12R0.277 CSCC(=O)NCCCSC(C)C e9d937c34d77650646e1b70577ac628a [0,2,0,0,0,0|2,0,0]=4 7129 B12R0.277 O=C(CCF)NCCCCC(F)F fb829b6cd60e0b818f872bdadff7b4a9 [0,2,0,0,0,0|2,0,0]=4 7130 B12R0.277 O=C(CCO)NCCCCC(F)F 743a7911f24ecfab84a3e30a36b8385d [0,2,0,0,0,0|2,0,0]=4 7131 B12R0.277 O=C(CCS)NCCCCC(F)F 0c213862cd37290ea880563a98635992 [0,2,0,0,0,0|2,0,0]=4 7132 B12R0.285 C/C=C/C(C)OCOC(=O)CCC 65e8d9fafb152faf34c2e158cb8f1c7e [0,2,0,0,0,0|0,0,2]=4 7133 B12R0.285 C=CCC(C)COCC(=O)CCC cb39b42108156fc21e494b28253406b0 [0,2,0,0,0,0|0,0,2]=4 7134 B12R0.285 C=CCC(C)OCOC(=O)CCC bc6f8607f6a4ed0aca82cfe902334297 [0,2,0,0,0,0|0,0,2]=4 7135 B12R0.285 C=CC[C@@H](C)OCOC(=O)CCC a4b3428dde6153fa7ef76d3ab1ffc384 [0,2,0,0,0,0|0,0,2]=4 7136 B12R0.285 C=CC[C@H](C)OCOC(=O)CCC 0061e65e8c4607aeb66752adea377e37 [0,2,0,0,0,0|0,0,2]=4 7137 B12R0.285 CC#CC(C)OCOC(=O)CCC 34577271a283b0ba8c7f66b1e7b0b4cf [0,2,0,0,0,0|0,0,2]=4 7138 B12R0.285 CC=CC(C)OCOC(=O)CCC 2728a9e5723b74dea6488092779e1a21 [0,2,0,0,0,0|0,0,2]=4 7139 B12R0.285 CCCC(=O)CNCC(C)CCO 3987a6ac1b3eeca638cd8e6f0f30e0c3 [0,2,0,0,0,0|2,0,0]=4 7140 B12R0.285 CCCC(=O)CNCC(C)OCC 81d5b48e13645fbdc149f2398885dbb7 [0,2,0,0,0,0|2,0,0]=4 7141 B12R0.285 CCCC(=O)CNCC(O)CCC 9242533c31717a053f6c057f14f22d54 [0,2,0,0,0,0|1,0,0]=3 7142 B12R0.285 CCCC(=O)CNCC(O)COC c46835d4613d32cd7fe1b51355df7aac [0,2,0,0,0,0|2,0,0]=4 7143 B12R0.285 CCCC(=O)CNC[C@H](O)COC 786a15c77a287263adaf93ab6eb8fe45 [0,2,0,0,0,0|2,0,0]=4 7144 B12R0.285 CCCC(=O)COCC(=O)NCC 9a0a615b1fcc645e4218f557b1ef35e8 [0,2,0,0,0,0|1,0,1]=4 7145 B12R0.285 CCCC(=O)COCC(=O)OCC cfebe1bb4f0b1a45ba0eabc2a4ae09be [0,2,0,0,0,0|1,0,1]=4 7146 B12R0.285 CCCC(=O)COCC(C)CCC 237b4c5c2de3179e1709d47b26f3f0c3 [0,2,0,0,0,0|0,0,0]=2 7147 B12R0.285 CCCC(=O)COCC(C)COC d6c902045f1ccb7f3351f81ea6abca12 [0,2,0,0,0,0|1,0,0]=3 7148 B12R0.285 CCCC(=O)COCC(C)OCC 4531bde7c4c6c0bc52bf39f1be549fe1 [0,2,0,0,0,0|1,0,0]=3 7149 B12R0.285 CCCC(=O)COC[C@@H](C)COC fb5904437517365856a576c424daa4a3 [0,2,0,0,0,0|1,0,0]=3 7150 B12R0.285 CCCC(=O)NCCC(=O)OCC 2a4c82757e413b6c1114d6f6ab2b9be3 [0,2,0,0,0,0|1,0,1]=4 7151 B12R0.285 CCCC(=O)NCCN(C)CCO 8c8ccb5787e70d06a0b3f4a73b4c85a4 [0,2,0,0,0,0|2,0,0]=4 7152 B12R0.285 CCCC(=O)OCOC(=S)CCC 0e6ee6171da93b78fad3e9d87d90c2b1 [0,2,0,0,0,0|0,0,1]=3 7153 B12R0.285 CCCC(=O)OCOC(C)CSC a14fad0daa47b75d9d58b8d905685a4c [0,2,0,0,0,0|1,0,0]=3 7154 B12R0.285 CCCC(=S)OCCC(=O)NCC 29b960f61b430bd7cf3234ded29a671e [0,2,0,0,0,0|0,1,1]=4 7155 B12R0.285 CCCC(=S)OCCC(=O)OCC 4f9217f816851d2da20ce05ae421a9b7 [0,2,0,0,0,0|0,1,1]=4 7156 B12R0.285 CCCC(=S)OCOC(=O)OCC ddea40c9d95a67ce40598b358c4c6e19 [0,2,0,0,0,0|1,0,1]=4 7157 B12R0.285 CCCC(=S)OCOC(=O)SCC 301a24041aecdf412dc421a84df724e7 [0,2,0,0,0,0|1,0,1]=4 7158 B12R0.285 CCCC(C)CCOC(C)CCC 3f8e8b3d54af4d23f9067cc7d344de7d [0,2,0,0,0,0|1,0,1]=4 7159 B12R0.285 CCCC(C)CNCC(=O)NCC 094e55289bed57d1d6343030d18c8731 [0,2,0,0,0,0|2,0,0]=4 7160 B12R0.285 CCCC(C)CNCC(=O)OCC 0acb7508dab6cff99976a361cc5f0b72 [0,2,0,0,0,0|2,0,0]=4 7161 B12R0.285 CCCC(C)COCC(=O)COC dffaa7cb2e4e3f959e15c47ae6003f06 [0,2,0,0,0,0|1,0,0]=3 7162 B12R0.285 CCCC(C)COCC(=O)NCC 01fb802052c78003d894a2f0474ccf1e [0,2,0,0,0,0|1,0,0]=3 7163 B12R0.285 CCCC(C)COCC(=O)OCC af5a8a2d1700e944ec24f9382d7f8039 [0,2,0,0,0,0|1,0,0]=3 7164 B12R0.285 CCCC(C)COCC(C)CCC aa442794747f608ec62eb3c366a37942 [0,2,0,0,0,0|1,0,1]=4 7165 B12R0.285 CCCC(C)NCCC(=O)NCC 10bb3229e9219859330657b3fae3c445 [0,2,0,0,0,0|2,0,0]=4 7166 B12R0.285 CCCC(C)NCCC(=O)OCC d740ab8bebd5a3d67a7aa1b26f9a5af5 [0,2,0,0,0,0|2,0,0]=4 7167 B12R0.285 CCCC(C)NCOC(=O)OCC b72eea28cf13a6e6d23b20ee6c3f7cd9 [0,2,0,0,0,0|1,0,0]=3 7168 B12R0.285 CCCC(C)NCOC(=O)SCC 4b02bee3f88ebb3d513895f191548f2e [0,2,0,0,0,0|1,0,0]=3 7169 B12R0.285 CCCC(C)OCCC(=O)NCC 219ee2132711417eb19f5bdf0630b3b8 [0,2,0,0,0,0|2,0,0]=4 7170 B12R0.285 CCCC(C)OCCC(=O)OCC f52795c3ba21a61d9a5059769aaaa2d4 [0,2,0,0,0,0|2,0,0]=4 7171 B12R0.285 CCCC(C)OCOC(=O)SCC 750e958548e470b69e0eb272d56e6e17 [0,2,0,0,0,0|1,0,0]=3 7172 B12R0.285 CCCC(O)CNCC(=O)COC cc05e6740c48f6e4f9b334e7ebc10765 [0,2,0,0,0,0|2,0,0]=4 7173 B12R0.285 CCCC(O)CNCC(=O)NCC 956ee55505398f4bd2a7a51a451e2fe6 [0,2,0,0,0,0|2,0,0]=4 7174 B12R0.285 CCCC(O)CNCC(=O)OCC a44d5b369a53a03374adb57620c5d32c [0,2,0,0,0,0|2,0,0]=4 7175 B12R0.285 CCCC(S)CCOC(C)CCC 20533a464a59555ee63fed97c0e8deb8 [0,2,0,0,0,0|1,0,1]=4 7176 B12R0.285 CCCN(C)CCCC(=O)OCC a417deae33e74bf3b32cd7c1877e42ee [0,2,0,0,0,0|2,0,0]=4 7177 B12R0.285 CCC[C@@H](C)OCCC(=O)NCC 4eb7c9e4592967f892219ba0bc23e01f [0,2,0,0,0,0|2,0,0]=4 7178 B12R0.285 CCC[C@@H](C)OCCC(=O)OCC 845dbeed2a7367c3d713dc5fade4094e [0,2,0,0,0,0|2,0,0]=4 7179 B12R0.285 CCC[C@@H](C)OCOC(=O)SCC 998326df5e7c2ac2268817708e6d27ac [0,2,0,0,0,0|1,0,0]=3 7180 B12R0.285 CCC[C@H](C)NCCC(=O)NCC ff7e359c6ab95f6360aa8dbe5a2a2910 [0,2,0,0,0,0|2,0,0]=4 7181 B12R0.285 CCC[C@H](C)NCCC(=O)OCC ac34575d57cba3edf2cf71071b3095a9 [0,2,0,0,0,0|2,0,0]=4 7182 B12R0.285 CCC[C@H](C)NCOC(=O)OCC cb4603adaa36440d45ff80ade2cb3f58 [0,2,0,0,0,0|1,0,0]=3 7183 B12R0.285 CCC[C@H](C)NCOC(=O)SCC 59e7c4ecc4c6645a479c55c9040526dd [0,2,0,0,0,0|1,0,0]=3 7184 B12R0.285 CCC[C@H](C)OCCC(=O)NCC 468c14a36d6714c7029d996a345f0c8d [0,2,0,0,0,0|2,0,0]=4 7185 B12R0.285 CCC[C@H](C)OCCC(=O)OCC 21fccf0af59fae58f73d557abd6c2b9e [0,2,0,0,0,0|2,0,0]=4 7186 B12R0.285 CCC[C@H](C)OCOC(=O)SCC c7edebe00fc799b6528828770f5fd5f8 [0,2,0,0,0,0|1,0,0]=3 7187 B12R0.285 CCNC(=O)COCC(C)COC c308912a71edf7a3f7fc4253152694d9 [0,2,0,0,0,0|2,0,0]=4 7188 B12R0.285 CCNC(=O)COCC(C)OCC 2e292918b9028f3725b0589698c9158d [0,2,0,0,0,0|2,0,0]=4 7189 B12R0.285 CCNC(=O)COC[C@@H](C)COC 88e7b74e4cb87e1642643a50ff542c62 [0,2,0,0,0,0|2,0,0]=4 7190 B12R0.285 CCNC(=O)COC[C@@H](O)CCO ec3d202af28249407fcfc75aef17789e [0,2,0,0,0,0|2,0,0]=4 7191 B12R0.285 CCOC(=O)COCC(C)COC 57cd18b4ebc772f344388307365b5355 [0,2,0,0,0,0|2,0,0]=4 7192 B12R0.285 CCOC(=O)COCC(C)OCC 23bfbc80af564ec4d4ea701f0e93f079 [0,2,0,0,0,0|2,0,0]=4 7193 B12R0.285 CCOC(=O)COC[C@@H](C)COC 691d3f0e9ca155f5bdc54c5098da11d5 [0,2,0,0,0,0|2,0,0]=4 7194 B12R0.285 CCOC(=O)COC[C@@H](O)CCO da4228ec33edc153b798f2c7f32b342d [0,2,0,0,0,0|2,0,0]=4 7195 B12R0.285 CCOC(=O)OCNC(C)CCO 3a76041e551c5e7f6ae974efb677dfa7 [0,2,0,0,0,0|2,0,0]=4 7196 B12R0.285 CCOC(=O)OCNC(C)COC d7e0cc747fc9f515bddd8ee37fb3e72c [0,2,0,0,0,0|2,0,0]=4 7197 B12R0.285 CCOC(=O)OCN[C@@H](C)CCO 152fa9de6c72831623f7ad2c440fb907 [0,2,0,0,0,0|2,0,0]=4 7198 B12R0.285 CCOC(=O)OCN[C@@H](C)COC cbf50c16c0ed30eac46095edac5e3e88 [0,2,0,0,0,0|2,0,0]=4 7199 B12R0.285 CCOC(=O)OCN[C@H](C)CCO d8229f30d5b363655f1412c7ecfc6613 [0,2,0,0,0,0|2,0,0]=4 7200 B12R0.285 CCOC(=O)OCN[C@H](C)COC fd0986513f3b902784f033d8f5cf0b55 [0,2,0,0,0,0|2,0,0]=4 7201 B12R0.285 CCOC(C)COCC(=O)COC d07d824c125da6ddd98f1fad03ed7c22 [0,2,0,0,0,0|2,0,0]=4 7202 B12R0.285 CCSC(=O)OCNC(C)CCO 76600b6d6f0a93925f63535589691119 [0,2,0,0,0,0|2,0,0]=4 7203 B12R0.285 CCSC(=O)OCNC(C)COC b783530511aff6cfe099a0d51d089ede [0,2,0,0,0,0|2,0,0]=4 7204 B12R0.285 CCSC(=O)OCN[C@@H](C)CCO daa4afe42cc4432216c305c71dbe9483 [0,2,0,0,0,0|2,0,0]=4 7205 B12R0.285 CCSC(=O)OCN[C@@H](C)COC 6cc916837c4d1af7edb842d505fc00da [0,2,0,0,0,0|2,0,0]=4 7206 B12R0.285 CCSC(=O)OCN[C@H](C)CCO c88c08d163dcc33f1fb9a1d240ba4f0b [0,2,0,0,0,0|2,0,0]=4 7207 B12R0.285 CCSC(=O)OCN[C@H](C)COC 825c6ac300fbbaef037b0aa2ef3c20b4 [0,2,0,0,0,0|2,0,0]=4 7208 B12R0.285 CCSC(=O)OCOC(C)COC 2c55a56ba71994a237b4332b25664143 [0,2,0,0,0,0|2,0,0]=4 7209 B12R0.285 CCSC(=O)OCOC(C)CSC fa9779495af71415de8daa589a6ce164 [0,2,0,0,0,0|2,0,0]=4 7210 B12R0.285 CCSC(=O)OCO[C@@H](C)COC 0442640a04b81b14472e03344b3d0be4 [0,2,0,0,0,0|2,0,0]=4 7211 B12R0.285 CCSC(=O)OCO[C@H](C)COC 80d811131b16087c1e4bf1864c96ed57 [0,2,0,0,0,0|2,0,0]=4 7212 B12R0.434 CCCS(=O)(=O)CCCCNCC 640ea25f563f701b00742f3e49f02797 [0,2,0,0,0,0|2,0,0]=4 7213 B12R0.68 CCC(C)CC(C)NC(=O)CCF 9e0766f0dddecdafc7a2319e5b1eb99f [0,2,0,0,0,0|2,0,0]=4 7214 B12R0.68 CCC(C)CC(C)NC(=O)CCO 8e5de00241251110bcbdf873f13eca12 [0,2,0,0,0,0|2,0,0]=4 7215 B12R0.68 CCC(C)CC(C)NC(=O)CCS 5f8287ff5d4caebbd814c6612473b05a [0,2,0,0,0,0|2,0,0]=4 7216 B12R0.68 CCC(C)CC(C)NC(=O)COC 5fcd9355b9565b310e375d1b3fb86ab8 [0,2,0,0,0,0|2,0,0]=4 7217 B12R0.68 CCC(C)CC(C)NC(=O)CSC 6742ebdcfdbec7ba3f22860f44b8e8d8 [0,2,0,0,0,0|2,0,0]=4 7218 B12R0.68 CCCC(=O)CN(C)CC(O)CC ba6ef21ec42c2f0a4eff34bfbf18ae8f [0,2,0,0,0,0|2,0,0]=4 7219 B12R0.68 CCCC(=O)NC(C)CC(C)CC 28f6462213302a6e4c608c11714efcf6 [0,2,0,0,0,0|1,0,0]=3 7220 B12R0.68 CCOC(=O)OC(C)NC(C)CC 629ef9fb5550a6ad715218d0b1272dc8 [0,2,0,0,0,0|2,0,0]=4 7221 B12R0.68 CCOC(=O)OC(C)N[C@@H](C)CC 0dbc871d83e2cda4ce91740d9b392fb4 [0,2,0,0,0,0|2,0,0]=4 7222 B12R0.68 CCOC(=O)OC(C)N[C@H](C)CC a6b6d0abb9255bee74f1fbbbd536194c [0,2,0,0,0,0|2,0,0]=4 7223 B12R0.68 CCOC(=O)OC(C)OC(C)CC 98c3a27ebf2b43a8575c2fdc32f235f3 [0,2,0,0,0,0|2,0,0]=4 7224 B12R0.68 CCOC(=O)OC(C)O[C@@H](C)CC e4fc105602d87ed9f951f9e0dbed35bf [0,2,0,0,0,0|2,0,0]=4 7225 B12R0.68 CCOC(=O)OC(C)O[C@H](C)CC 260c918cb963b05a58f13fe03ae886dd [0,2,0,0,0,0|2,0,0]=4 7226 B12R0.69 CCCC(=O)C(=O)NC(C)CCC 4f86c1c45a9d281e5d9c2208d03c22ac [0,2,0,0,0,0|2,0,0]=4 7227 B12R0.69 CCCC(=O)C(=O)N[C@@H](C)CCC 2cfd2cc29620b0e379a47a78dec9aaa0 [0,2,0,0,0,0|2,0,0]=4 7228 B12R0.69 CCCC(=O)N(C)CC(C)OCC 19b9e6326cb7650ad46741311b52627d [0,2,0,0,0,0|2,0,0]=4 7229 B12R0.69 CCCC(=O)N(C)CC(O)COC 49dd156171d4e84fb89c72afade7d4f6 [0,2,0,0,0,0|2,0,0]=4 7230 B12R0.69 CCCN(C)C(C)OC(=O)OCC e7fc72561f1581346b4f6034b10b433f [0,2,0,0,0,0|2,0,0]=4 7231 B12R0.103 C#CCCC(=O)NC(C)CCCC 05646785bf412402887f8de0aefaf675 [0,2,0,0,0,0|1,0,1]=4 7232 B12R0.103 C#CCCC(=O)N[C@H](C)CCCC a8159228cc92777af6a59d67e9f071e9 [0,2,0,0,0,0|1,0,1]=4 7233 B12R0.103 C/C=C/CC(=O)NC(C)CCCC e57b8316a34c8c1b8231505c4c562acb [0,2,0,0,0,0|1,0,1]=4 7234 B12R0.103 C/C=C/CC(=O)N[C@H](C)CCCC b686ee90c8646dc7973ab41936e347ea [0,2,0,0,0,0|1,0,1]=4 7235 B12R0.103 C=CCCC(=O)NC(C)CCCC fc5f1180fdb94ef0a54dfeb95ad1d99c [0,2,0,0,0,0|1,0,1]=4 7236 B12R0.103 C=CCCC(=O)N[C@H](C)CCCC ccd4d509aec37cad66f737d298e8834d [0,2,0,0,0,0|1,0,1]=4 7237 B12R0.103 CC#CCC(=O)NC(C)CCCC 1f5e580f026df7930f814f0df7f33196 [0,2,0,0,0,0|1,0,1]=4 7238 B12R0.103 CC#CCC(=O)N[C@H](C)CCCC 62e2f5e52e7ac876557c0f2710e69e6f [0,2,0,0,0,0|1,0,1]=4 7239 B12R0.103 CC(CCCO)NC(=O)CCCF 1cf2e4bc740acbf4e0acbe9ab38ddcbd [0,2,0,0,0,0|2,0,0]=4 7240 B12R0.103 CC(CCCO)NC(=O)CCCS d4a0b3d54bc5f8d19996a007927cf074 [0,2,0,0,0,0|2,0,0]=4 7241 B12R0.103 CC/C=C/C(=O)NC(C)CCCC 0ba316ccbdc5ed75afa50009dffd73a5 [0,2,0,0,0,0|1,0,1]=4 7242 B12R0.103 CC/C=C/C(=O)N[C@H](C)CCCC fa5ed3e7749592fdb4288140637b3501 [0,2,0,0,0,0|1,0,1]=4 7243 B12R0.103 CC/C=C\C(=O)NC(C)CCCC a3cf3dce28b5212b6f345f1cda66914e [0,2,0,0,0,0|1,0,1]=4 7244 B12R0.103 CC/C=C\C(=O)N[C@H](C)CCCC 7c47bd1212b955a328288fa36ecc697d [0,2,0,0,0,0|1,0,1]=4 7245 B12R0.103 CCC#CC(=O)NC(C)CCCC 69603891ead2acaf29c48dec15ea3779 [0,2,0,0,0,0|1,0,1]=4 7246 B12R0.103 CCC#CC(=O)N[C@H](C)CCCC 01062fd0ff212b834891aa6777d5893a [0,2,0,0,0,0|1,0,1]=4 7247 B12R0.103 CCC=CC(=O)NC(C)CCCC b78d38865b6d2262dd2c33d5e43c17dd [0,2,0,0,0,0|1,0,1]=4 7248 B12R0.103 CCC=CC(=O)N[C@H](C)CCCC 128b8ee5b0f0a7528499144244bf66fa [0,2,0,0,0,0|1,0,1]=4 7249 B12R0.103 CCCCC(=O)NC(C)CCCC 53fcf1ea0760468784741571f64c5305 [0,2,0,0,0,0|1,0,0]=3 7250 B12R0.103 CCCCC(=O)NC(C)CCCO 20364f1fe18bc3ea67df53e18fb29213 [0,2,0,0,0,0|2,0,0]=4 7251 B12R0.103 CCCCC(=O)N[C@H](C)CCCC 5c605c84e87a34425b647c9c1f530254 [0,2,0,0,0,0|1,0,0]=3 7252 B12R0.103 CCCCC(=O)N[C@H](C)CCCO bfa80ff483c72aea4d14f7088678421a [0,2,0,0,0,0|2,0,0]=4 7253 B12R0.103 CCCCC(C)CC(=O)NCCBr 414de351c6780cdd01ff75434b88dc2a [0,2,0,0,0,0|2,0,0]=4 7254 B12R0.103 CCCCC(C)CC(=O)NCCC 25e4d4c07cd918a8386f738401ff4adf [0,2,0,0,0,0|1,0,0]=3 7255 B12R0.103 CCCCC(C)CC(=O)NCCF 2e0b6d119fe6fda531136d009be04f2c [0,2,0,0,0,0|2,0,0]=4 7256 B12R0.103 CCCCC(C)CC(=O)NCCI 854175e829d6db77217f1d09b78cdac3 [0,2,0,0,0,0|2,0,0]=4 7257 B12R0.103 CCCCC(C)CC(=O)NCCO 13c5c8072755768e3b5dc9bf5d1f89d9 [0,2,0,0,0,0|2,0,0]=4 7258 B12R0.103 CCCCC(C)CC(=O)NCCS a0f5d0b4a7595bbfa9aa2a86ec29b88b [0,2,0,0,0,0|2,0,0]=4 7259 B12R0.103 CCCCC(C)NC(=O)CCC#N 4f083e9c4d868b9f19df6825c9b6ff72 [0,2,0,0,0,0|1,0,1]=4 7260 B12R0.103 CCCCC(C)NC(=O)CCC=O fda13130ce24398d9f2228c943027e5b [0,2,0,0,0,0|1,0,1]=4 7261 B12R0.103 CCCCC(C)NC(=O)CCCF f0c4f53b57599151e8a7de255ebb27f4 [0,2,0,0,0,0|1,0,0]=3 7262 B12R0.103 CCCCC(C)NC(=O)CCCS d9cbb312dea3eb6a4aff56ebefc0aaf5 [0,2,0,0,0,0|1,0,0]=3 7263 B12R0.103 CCCCC(C)NC(=O)CCOC 222201af1c0579ec57513c1a23bc0555 [0,2,0,0,0,0|1,0,0]=3 7264 B12R0.103 CCCCC(C)NC(=O)CCSC 378d031e14f679c34dd51c89563f96bc [0,2,0,0,0,0|1,0,0]=3 7265 B12R0.103 CCCCC(C)NC(=O)COCC 8d6a04c6a1d61e580bba71638819a2a4 [0,2,0,0,0,0|1,0,0]=3 7266 B12R0.103 CCCCC(C)NC(=O)CSCC 93fdf458e13e6b6ee75196133f5a22fb [0,2,0,0,0,0|1,0,0]=3 7267 B12R0.103 CCCCC(C)NC(=O)CSSC efe51959b02e68d45f90bfe87e3e8f83 [0,2,0,0,0,0|2,0,0]=4 7268 B12R0.103 CCCCC(C)NC(=O)NCCC 4390a57f8e189ec0fc147873b7f3fb91 [0,2,0,0,0,0|1,0,0]=3 7269 B12R0.103 CCCCC(C)NC(=O)NCCF 74954e392a9943dfbf7fdb4a95ff60a3 [0,2,0,0,0,0|2,0,0]=4 7270 B12R0.103 CCCCC(C)NC(=O)NCCN 98f9dbd0df9d282b90a15da044655339 [0,2,0,0,0,0|2,0,0]=4 7271 B12R0.103 CCCCC(C)NC(=O)NCCO 084ec5f87ebce5b9d30234914e5be1d5 [0,2,0,0,0,0|2,0,0]=4 7272 B12R0.103 CCCCC(C)NC(=O)NCCS f7560bfebf74b2aabb28563b1800f3f9 [0,2,0,0,0,0|2,0,0]=4 7273 B12R0.103 CCCCC(C)NC(=S)NCCC 6769f84644158118b7abb78ff9343db4 [0,2,0,0,0,0|1,1,0]=4 7274 B12R0.103 CCCCC(C)OC(C)CCCC bc81d0fe0379632f5247610f11456c01 [0,2,0,0,0,0|1,0,1]=4 7275 B12R0.103 CCCCC(C)OC(C)CCOC 7cc3befb7070efef59b2e5a74e548aec [0,2,0,0,0,0|1,0,1]=4 7276 B12R0.103 CCCCC(C)OC(C)COCC 58919303903f96eb1e3bf6c3c95f01dd [0,2,0,0,0,0|1,0,1]=4 7277 B12R0.103 CCCCC(C)O[C@@H](C)CCCC 95127dac1104c8d5c5a0ebf1123da7d5 [0,2,0,0,0,0|1,0,1]=4 7278 B12R0.103 CCCCC(C)O[C@H](C)CCCC 5c59c854c671584970f21990c2434890 [0,2,0,0,0,0|1,0,1]=4 7279 B12R0.103 CCCCC(O)CC(=O)NCCBr e8c258a99e2dc615628b9cfc8b457af5 [0,2,0,0,0,0|2,0,0]=4 7280 B12R0.103 CCCCC(O)CC(=O)NCCC d0863715b5f61ba0b1418c513f92fd1a [0,2,0,0,0,0|1,0,0]=3 7281 B12R0.103 CCCCC(O)CC(=O)NCCF d04ee494b1e8184f34d7dbc967ef4d27 [0,2,0,0,0,0|2,0,0]=4 7282 B12R0.103 CCCCC(O)CC(=O)NCCI 8b32d9d2010832731690b6ba76e07b11 [0,2,0,0,0,0|2,0,0]=4 7283 B12R0.103 CCCCC(O)CC(=O)NCCO c2fa675c277bb86cbf9eb21351f0c72b [0,2,0,0,0,0|2,0,0]=4 7284 B12R0.103 CCCCC(O)CC(=O)NCCS 0bd29af23d6a0abc5be7b0f5a37c20c3 [0,2,0,0,0,0|2,0,0]=4 7285 B12R0.103 CCCCN(C)CC(=O)CCSC a50519ab51ca893899d05bfff69cff15 [0,2,0,0,0,0|2,0,0]=4 7286 B12R0.103 CCCCN(C)CC(=O)NCCC 8c2bad0e786c031445615fdb64055906 [0,2,0,0,0,0|2,0,0]=4 7287 B12R0.103 CCCCN(C)CC(=O)OCCC d0da8728310c46cdfa2d69fd2f4c442f [0,2,0,0,0,0|2,0,0]=4 7288 B12R0.103 CCCC[C@@H](C)CC(=O)NCCBr f8038951522347565782ac411c94c553 [0,2,0,0,0,0|2,0,0]=4 7289 B12R0.103 CCCC[C@@H](C)CC(=O)NCCC 25421a357e45bf06e66255cbce313759 [0,2,0,0,0,0|1,0,0]=3 7290 B12R0.103 CCCC[C@@H](C)CC(=O)NCCF 5832c355ae87b273fd25e0347b862ac9 [0,2,0,0,0,0|2,0,0]=4 7291 B12R0.103 CCCC[C@@H](C)CC(=O)NCCI d86704efe4c77f457b1bac303018462f [0,2,0,0,0,0|2,0,0]=4 7292 B12R0.103 CCCC[C@@H](C)CC(=O)NCCO 3a6c14a322227a91715eb7ab5967032f [0,2,0,0,0,0|2,0,0]=4 7293 B12R0.103 CCCC[C@@H](C)CC(=O)NCCS 4836e7826ae779e4b9974c33edb12352 [0,2,0,0,0,0|2,0,0]=4 7294 B12R0.103 CCCC[C@@H](C)NC(=O)CCC#N dcd42884f84eb41ec0b2e4fa5ef633d6 [0,2,0,0,0,0|1,0,1]=4 7295 B12R0.103 CCCC[C@@H](C)NC(=O)CCC=O d1daf8da6a47545caafc8f37b157ae23 [0,2,0,0,0,0|1,0,1]=4 7296 B12R0.103 CCCC[C@@H](C)NC(=O)CCCF e529056a278fd9748d5276d317ded0a7 [0,2,0,0,0,0|1,0,0]=3 7297 B12R0.103 CCCC[C@@H](C)NC(=O)CCCS 8bfeaf28dc7440bd8e6fdc2bcfd1e846 [0,2,0,0,0,0|1,0,0]=3 7298 B12R0.103 CCCC[C@@H](C)NC(=O)CCOC 86e0969bd904ab193036f59a295fc706 [0,2,0,0,0,0|1,0,0]=3 7299 B12R0.103 CCCC[C@@H](C)NC(=O)CCSC ea4bc1ac2f1d99dec95f40840ccae706 [0,2,0,0,0,0|1,0,0]=3 7300 B12R0.103 CCCC[C@@H](C)NC(=O)COCC 57063707a0a71f5658b0a7ea4d9d1623 [0,2,0,0,0,0|1,0,0]=3 7301 B12R0.103 CCCC[C@@H](C)NC(=O)CSCC 5ca11b359c68a8bcc433954d439dd6dc [0,2,0,0,0,0|1,0,0]=3 7302 B12R0.103 CCCC[C@@H](C)NC(=O)CSSC 80ef0d52cb6c754408e0dee0bbe37e8e [0,2,0,0,0,0|2,0,0]=4 7303 B12R0.103 CCCC[C@@H](C)NC(=O)NCCC 6bf786bfa15a7754210008168b2d0d8e [0,2,0,0,0,0|1,0,0]=3 7304 B12R0.103 CCCC[C@@H](C)NC(=O)NCCF 4a265e30736b38e7cc2caf56ab8bc1fc [0,2,0,0,0,0|2,0,0]=4 7305 B12R0.103 CCCC[C@@H](C)NC(=O)NCCN 8ace3526b942c194a8c1ab388cf42d56 [0,2,0,0,0,0|2,0,0]=4 7306 B12R0.103 CCCC[C@@H](C)NC(=O)NCCO fd5c432717da49891a7de51a5a60e852 [0,2,0,0,0,0|2,0,0]=4 7307 B12R0.103 CCCC[C@@H](C)NC(=O)NCCS 7eb4229caf227c762b52ffc27811f3d8 [0,2,0,0,0,0|2,0,0]=4 7308 B12R0.103 CCCC[C@@H](C)NC(=S)NCCC 9a759a3e97cdb21001842744d326991f [0,2,0,0,0,0|1,1,0]=4 7309 B12R0.103 CCCC[C@H](C)CC(=O)NCCBr 19bd1e9cc08c4f7d37abe90597dad0ec [0,2,0,0,0,0|2,0,0]=4 7310 B12R0.103 CCCC[C@H](C)CC(=O)NCCC bd9b6b0af6620502b5af4f6f7ee09fd7 [0,2,0,0,0,0|1,0,0]=3 7311 B12R0.103 CCCC[C@H](C)CC(=O)NCCF b1cfa1c2b2dc711969f45622ca41984d [0,2,0,0,0,0|2,0,0]=4 7312 B12R0.103 CCCC[C@H](C)CC(=O)NCCI 5968c58967b5536607ec38eb4e78be79 [0,2,0,0,0,0|2,0,0]=4 7313 B12R0.103 CCCC[C@H](C)CC(=O)NCCO cfa1c525f88fa7cdff85088808c9d2e9 [0,2,0,0,0,0|2,0,0]=4 7314 B12R0.103 CCCC[C@H](C)CC(=O)NCCS 07f7a4a4c6dcd7cc04ef6733e7b00330 [0,2,0,0,0,0|2,0,0]=4 7315 B12R0.103 CCCNC(=O)NC(C)CCCO d2099aa265b300b106a85fe601fc8be9 [0,2,0,0,0,0|2,0,0]=4 7316 B12R0.103 CCCNC(=O)N[C@H](C)CCCO 99b53638822095991240c7f64ab2b41b [0,2,0,0,0,0|2,0,0]=4 7317 B12R0.103 CCOCC(=O)NC(C)CCCO 028ef4ea712a108dddd0725f60e09029 [0,2,0,0,0,0|2,0,0]=4 7318 B12R0.103 CCOCC(=O)N[C@H](C)CCCO da79cae26f3dfb48e89b62cf0a0e2fe4 [0,2,0,0,0,0|2,0,0]=4 7319 B12R0.103 CCSCC(=O)NC(C)CCCO 9173a350f01b0e39da171c2f2492a2e8 [0,2,0,0,0,0|2,0,0]=4 7320 B12R0.103 CCSCC(=O)N[C@H](C)CCCO 43980302f284c11b4e16cf79a14c66c8 [0,2,0,0,0,0|2,0,0]=4 7321 B12R0.103 COCCC(=O)NC(C)CCCO b1bb74e046726b238791c597a9a334cc [0,2,0,0,0,0|2,0,0]=4 7322 B12R0.103 COCCC(=O)N[C@H](C)CCCO 127c18ee95a2f6c54973f53b2ce425da [0,2,0,0,0,0|2,0,0]=4 7323 B12R0.103 CSCCC(=O)NC(C)CCCO b024cabba075efbc4f318fdf302d0441 [0,2,0,0,0,0|2,0,0]=4 7324 B12R0.103 CSCCC(=O)N[C@H](C)CCCO 7f499c015b3243f49de6460745fbc6a2 [0,2,0,0,0,0|2,0,0]=4 7325 B12R0.103 C[C@H](CCCO)NC(=O)CCCF f980037c800172a8982c0ae0daed84e0 [0,2,0,0,0,0|2,0,0]=4 7326 B12R0.103 C[C@H](CCCO)NC(=O)CCCS f34b88983065e81a0faba4a89d619e37 [0,2,0,0,0,0|2,0,0]=4 7327 B12R0.132 C#CC(CCC)OC(C)CCCC 4b3df5c7d3c5868f592b12fb51cd4807 [0,2,0,0,0,0|1,0,1]=4 7328 B12R0.132 C=CC(CCC)OC(C)CCCC 9b118c0dbb65b326bafdf15f1cfa1073 [0,2,0,0,0,0|1,0,1]=4 7329 B12R0.132 CCCCC(C)OC(C#N)CCC 341d49593dd5cfbb9f3f44a0959bddb0 [0,2,0,0,0,0|1,0,1]=4 7330 B12R0.132 CCCCC(C)OC(CC)CCC 0cd8274c81f99fa6efc6abe59baa78d6 [0,2,0,0,0,0|1,0,1]=4 7331 B12R0.132 CCCCC(C)O[C@H](CC)CCC b4db3a17d5dd220848bb91459a7aa1a0 [0,2,0,0,0,0|1,0,1]=4 7332 B12R0.132 CCCC[C@@H](C)OC(CC)CCC 01ae4b14ede4ba007fd26e1edc8c9d9b [0,2,0,0,0,0|1,0,1]=4 7333 B12R0.132 CCCC[C@H](C)OC(CC)CCC be0872275e1f277bc63514e1e1f99d88 [0,2,0,0,0,0|1,0,1]=4 7334 B12R0.134 C=C(CC)C(=O)NC(C)CCCC d16dceed58973b11fc5e23cc8dea455c [0,2,0,0,0,0|1,0,1]=4 7335 B12R0.134 C=C(CC)C(=O)N[C@H](C)CCCC cc4b58f0e18e7384996c81a177068de9 [0,2,0,0,0,0|1,0,1]=4 7336 B12R0.134 CCC(O)C(=O)NC(C)CCCO 1248da64e998b1949f3064fdfb35029c [0,2,0,0,0,0|2,0,0]=4 7337 B12R0.134 CCC(O)C(=O)N[C@H](C)CCCO 107386c48ae03cda226e38e30781be94 [0,2,0,0,0,0|2,0,0]=4 7338 B12R0.134 CCCCC(C)CC(=O)N(C)CC 6a8da90de5fbdef77e8eeb1a547a6eec [0,2,0,0,0,0|2,0,0]=4 7339 B12R0.134 CCCCC(C)NC(=O)C(=O)CC 2d78a12c24be1c056cdd3a3d95820113 [0,2,0,0,0,0|1,0,1]=4 7340 B12R0.134 CCCCC(C)NC(=O)C(C)OC 8f11722edd429ef3333f13379f415e66 [0,2,0,0,0,0|2,0,0]=4 7341 B12R0.134 CCCCC(C)NC(=O)C(C)SC 9be08a8eb83efba126b2f4dd7ec30fa5 [0,2,0,0,0,0|2,0,0]=4 7342 B12R0.134 CCCCC(C)NC(=O)C(O)CC 4ca06abd07bd0364b973b537ee4331e8 [0,2,0,0,0,0|1,0,0]=3 7343 B12R0.134 CCCCC(C)NC(=O)C(O)CO 54df34d67f959e08a4502377b113d720 [0,2,0,0,0,0|2,0,0]=4 7344 B12R0.134 CCCCC(C)NC(=O)N(C)CC 2cef3410b1582a9cb04a3aed0d6bfc84 [0,2,0,0,0,0|2,0,0]=4 7345 B12R0.134 CCCCC(C)NC(=O)[C@@H](C)OC 66e57adc1075386d2004ddd15e324d73 [0,2,0,0,0,0|2,0,0]=4 7346 B12R0.134 CCCCC(C)NC(=O)[C@@H](O)CC 81653ee904a89e7cb0952248dade63f5 [0,2,0,0,0,0|1,0,0]=3 7347 B12R0.134 CCCCC(C)NC(=O)[C@@H](O)CO 3318cc6241803a5185bcc35f0a9862a1 [0,2,0,0,0,0|2,0,0]=4 7348 B12R0.134 CCCCC(C)NC(=O)[C@@H](S)CC dcc550869024c46c538cc59f661378bc [0,2,0,0,0,0|1,0,0]=3 7349 B12R0.134 CCCCC(C)NC(=O)[C@H](C)OC 898cc12424f6693c7cffffb20c780981 [0,2,0,0,0,0|2,0,0]=4 7350 B12R0.134 CCCCC(C)NC(=O)[C@H](O)CC 9b364158b758bfddd230fa6150f43368 [0,2,0,0,0,0|1,0,0]=3 7351 B12R0.134 CCCCC(C)NC(=O)[C@H](O)CF 6e90ba8e11b06d8fcd4d41432bd2541c [0,2,0,0,0,0|2,0,0]=4 7352 B12R0.134 CCCCC(C)OC(C)C(C)CC b24bf68d78b95485803dd491b2f12e33 [0,2,0,0,0,0|1,0,1]=4 7353 B12R0.134 CCCCC(O)CC(=O)N(C)CC 682cb9b1688495d0271220e24b40b987 [0,2,0,0,0,0|2,0,0]=4 7354 B12R0.134 CCCCN(C)CC(=O)C(C)CC f80c6b8b5af06e7902319900a3761147 [0,2,0,0,0,0|2,0,0]=4 7355 B12R0.134 CCCC[C@@H](C)CC(=O)N(C)CC f025fc4e81fe62cd16300f2d33e6cd00 [0,2,0,0,0,0|2,0,0]=4 7356 B12R0.134 CCCC[C@@H](C)NC(=O)C(=O)CC f6a18320b8718a03d1d2cfc51df19738 [0,2,0,0,0,0|1,0,1]=4 7357 B12R0.134 CCCC[C@@H](C)NC(=O)C(C)OC b497402a8e405a73f808eecbe9cc0447 [0,2,0,0,0,0|2,0,0]=4 7358 B12R0.134 CCCC[C@@H](C)NC(=O)C(C)SC 145c939d882aed991c021849d8d89307 [0,2,0,0,0,0|2,0,0]=4 7359 B12R0.134 CCCC[C@@H](C)NC(=O)C(O)CC 848a44d9974ef26d62bc8ca75f60a18e [0,2,0,0,0,0|1,0,0]=3 7360 B12R0.134 CCCC[C@@H](C)NC(=O)C(O)CO 16f5e9500ea27a76fe3df50321861db7 [0,2,0,0,0,0|2,0,0]=4 7361 B12R0.134 CCCC[C@@H](C)NC(=O)N(C)CC 8ecd041d281a9b5c1f7c4ee9fec35f37 [0,2,0,0,0,0|2,0,0]=4 7362 B12R0.134 CCCC[C@@H](C)NC(=O)[C@@H](C)OC 02f1fa8e27b60b055ca1bc66ee8f3848 [0,2,0,0,0,0|2,0,0]=4 7363 B12R0.134 CCCC[C@@H](C)NC(=O)[C@@H](O)CC 383a08237916fab60f000d31e5af5aae [0,2,0,0,0,0|1,0,0]=3 7364 B12R0.134 CCCC[C@@H](C)NC(=O)[C@@H](O)CO ce64d7137017e131d7bb1e9772018294 [0,2,0,0,0,0|2,0,0]=4 7365 B12R0.134 CCCC[C@@H](C)NC(=O)[C@@H](S)CC ed4aea5ace9be17d22c5f519a184b444 [0,2,0,0,0,0|1,0,0]=3 7366 B12R0.134 CCCC[C@@H](C)NC(=O)[C@H](C)OC 19eb83c468d95b3072c052509b0464fa [0,2,0,0,0,0|2,0,0]=4 7367 B12R0.134 CCCC[C@@H](C)NC(=O)[C@H](O)CC fab7df8774d1e4519a068c101912bba4 [0,2,0,0,0,0|1,0,0]=3 7368 B12R0.134 CCCC[C@@H](C)NC(=O)[C@H](O)CF 34113ebe468649e28683756b9e53cfcd [0,2,0,0,0,0|2,0,0]=4 7369 B12R0.134 CCCC[C@H](C)CC(=O)N(C)CC 01d2a4412e851762abb02883d218aae4 [0,2,0,0,0,0|2,0,0]=4 7370 B12R0.134 CC[C@@H](O)C(=O)NC(C)CCCO c19c372791f463ca26848e8b94ecbc55 [0,2,0,0,0,0|2,0,0]=4 7371 B12R0.134 CC[C@@H](O)C(=O)N[C@H](C)CCCO 2e2221a978e88de463328489a625c6f1 [0,2,0,0,0,0|2,0,0]=4 7372 B12R0.134 CC[C@H](O)C(=O)NC(C)CCCO 2e70614631faa4f86465b7ec638f1c4a [0,2,0,0,0,0|2,0,0]=4 7373 B12R0.134 CC[C@H](O)C(=O)N[C@H](C)CCCO 59126d8174215fd97b87c57da57e6b1e [0,2,0,0,0,0|2,0,0]=4 7374 B12R0.134 CC[C@H](S)C(=O)NC(C)CCCO 6174dbaed98c51c469a1df0c1a4b1c33 [0,2,0,0,0,0|2,0,0]=4 7375 B12R0.134 CC[C@H](S)C(=O)N[C@H](C)CCCO 0bdd86a277c20c7b5b79573e9182b0bc [0,2,0,0,0,0|2,0,0]=4 7376 B12R0.283 CC(C)CCC(C)NC(=O)CCF 8059d89493cc1a4751429c05339a84eb [0,2,0,0,0,0|2,0,0]=4 7377 B12R0.283 CC(C)CCC(C)NC(=O)CCO e22ccc14667cc9bbe0a2b996ff0fd75a [0,2,0,0,0,0|2,0,0]=4 7378 B12R0.283 CC(C)CCC(C)NC(=O)CCS 7ac6b5ee13168afa47b9a988314202f4 [0,2,0,0,0,0|2,0,0]=4 7379 B12R0.283 CCCC(=O)CN(C)CCC(C)C 240119eb287f8a50a572acfcd6d89eb1 [0,2,0,0,0,0|2,0,0]=4 7380 B12R0.283 CCCC(=O)CN(C)CCC(C)O 3c9850533d248e52cbba3c2b92fe3333 [0,2,0,0,0,0|2,0,0]=4 7381 B12R0.283 CCCC(=O)NC(C)CCC(C)C c4787f98fb703edfe798b311201a5efa [0,2,0,0,0,0|1,0,0]=3 7382 B12R0.283 CCCC(=O)NC(C)CCN(C)C e83fbfdfb9cebb3889d2220bbb363c19 [0,2,0,0,0,0|2,0,0]=4 7383 B12R0.283 CCCC(=O)N[C@@H](C)CCN(C)C c72cdff309901933ffd6d1b909f92dd8 [0,2,0,0,0,0|2,0,0]=4 7384 B12R0.283 CCCC(=O)N[C@H](C)CCN(C)C c55c33213bd52d5645d7b7fdd99a2dc1 [0,2,0,0,0,0|2,0,0]=4 7385 B12R0.283 CCCC(=S)OC(C)CCC(C)C ee3691871b962623d0b183dc740d32a1 [0,2,0,0,0,0|0,1,0]=3 7386 B12R0.283 CCCC(C)OC(C)CCC(C)C 67aed6449a66109f932d230db5da03dd [0,2,0,0,0,0|1,0,1]=4 7387 B12R0.283 CCC[C@@H](C)OC(C)CCC(C)C 4493d29e72caf7df896125b08b0011c7 [0,2,0,0,0,0|1,0,1]=4 7388 B12R0.283 CCC[C@H](C)OC(C)CCC(C)C b2fb4a984683d600581787412c203b10 [0,2,0,0,0,0|1,0,1]=4 7389 B12R0.283 CCOC(=O)OC(C)NCC(C)C 6241bd1bdd603cacb1d0c9b32b4bae7a [0,2,0,0,0,0|2,0,0]=4 7390 B12R0.283 CCOC(=O)OC(C)NCC(C)O ad88d09e730efdc0fa873ff0213c0e13 [0,2,0,0,0,0|2,0,0]=4 7391 B12R0.283 CCOC(=O)OC(C)NC[C@@H](C)O 55a7db3ca03753083b987fa597ce6f14 [0,2,0,0,0,0|2,0,0]=4 7392 B12R0.283 CCOC(=O)OC(C)NC[C@H](C)O f4db08e9bcad02dab52e6f2a477ecbf7 [0,2,0,0,0,0|2,0,0]=4 7393 B12R0.283 CCOC(=O)OC(C)OCC(C)C e57d6da70a03464a872db2156ddafbd7 [0,2,0,0,0,0|2,0,0]=4 7394 B12R0.283 CCOC(=O)OC(C)OCC(C)F 63092f4b63cedcf146ae4c60d068635b [0,2,0,0,0,0|2,0,0]=4 7395 B12R0.283 CCOC(=O)OC(C)OCC(C)S fc7adf71a1f0764f2b573cea17c47afc [0,2,0,0,0,0|2,0,0]=4 7396 B12R0.283 CCOC(=O)OC(C)OC[C@@H](C)F cbd4eb1530cb16d098ad068037264f02 [0,2,0,0,0,0|2,0,0]=4 7397 B12R0.283 CCOC(=O)OC(C)OC[C@H](C)F 80ce6cbb426df8f04638c932d383def2 [0,2,0,0,0,0|2,0,0]=4 7398 B12R0.283 COCC(=O)NC(C)CCC(C)C 773fac0d111deb87d3ead007f7dbf069 [0,2,0,0,0,0|2,0,0]=4 7399 B12R0.283 CSCC(=O)NC(C)CCC(C)C 49f9f56e9bb0d3e06a81a1d4f1459bdf [0,2,0,0,0,0|2,0,0]=4 7400 B12R0.353 CCCCN(C)C(=O)C(=O)CCC 4eb55af941005f7290202cb77b157d94 [0,2,0,0,0,0|2,0,0]=4 7401 B12R0.607 C#CC(CCCC)OC(C)CCC 2229c3ad4721f6343c5a68d4aa497b99 [0,2,0,0,0,0|1,0,1]=4 7402 B12R0.607 C=CC(CCCC)OC(C)CCC a0dbffa8ff005d0c21c54d2271d304dd [0,2,0,0,0,0|1,0,1]=4 7403 B12R0.607 CCCC(=O)NC(CO)CCCO 171d9e9d3dcb20ad7eaa6b15579a2b62 [0,2,0,0,0,0|2,0,0]=4 7404 B12R0.607 CCCC(=O)NC(CO)CCSC 7c84465dce9371628d54ee197421c678 [0,2,0,0,0,0|2,0,0]=4 7405 B12R0.607 CCCC(=O)N[C@@H](CO)CCSC 55ef5a1fa1fd7c75fdcc8287588b1543 [0,2,0,0,0,0|2,0,0]=4 7406 B12R0.607 CCCC(=O)N[C@H](CO)CCSC f331679a38d4131900e96dc15ec771a9 [0,2,0,0,0,0|2,0,0]=4 7407 B12R0.607 CCCCC(CC)OC(=S)CCC 2a7284d543a0946667af6a094fc6b215 [0,2,0,0,0,0|0,1,0]=3 7408 B12R0.607 CCCCC(CC)OC(C)CCC b5b061d90c62b09464599744e4fde082 [0,2,0,0,0,0|1,0,1]=4 7409 B12R0.607 CCCCC(CC)O[C@@H](C)CCC 9be82abb77f213b7ccf3536e1199215a [0,2,0,0,0,0|1,0,1]=4 7410 B12R0.607 CCCCC(CC)O[C@H](C)CCC a4acbd8c3eb2ff8526846063a636a7ce [0,2,0,0,0,0|1,0,1]=4 7411 B12R0.607 CCCCC(CO)NC(=O)CCC 4f5d7e36be004acef1b526a33ebdbae3 [0,2,0,0,0,0|1,0,0]=3 7412 B12R0.607 CCCCC(CO)NC(=O)CCF 3fc8282d12ae0516eb15cef17f0cdd48 [0,2,0,0,0,0|2,0,0]=4 7413 B12R0.607 CCCCC(CO)NC(=O)CCO 87adac494e652bdffa391263597206b5 [0,2,0,0,0,0|2,0,0]=4 7414 B12R0.607 CCCCC(CO)NC(=O)CCS a62d075d5375b273c5350503a46c2238 [0,2,0,0,0,0|2,0,0]=4 7415 B12R0.607 CCCCC(CO)NC(=O)COC d52154b59b1c18cf89dbc066971dccbd [0,2,0,0,0,0|2,0,0]=4 7416 B12R0.607 CCCCC(CO)NC(=O)CSC 1af0c83a75f8a9cf3d8ffe8af7ee5f42 [0,2,0,0,0,0|2,0,0]=4 7417 B12R0.607 CCCCN(CC)CC(=O)CCC bda2c7050a1baba12b3197f0a2fa84b2 [0,2,0,0,0,0|2,0,0]=4 7418 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC a2f3e6d648d41b6ee98d61faba6d2211 [0,2,0,0,0,0|1,0,0]=3 7419 B12R0.607 CCCC[C@@H](CO)NC(=O)CCF 0cdd2b7f86ae6266669301524643cb60 [0,2,0,0,0,0|2,0,0]=4 7420 B12R0.607 CCCC[C@@H](CO)NC(=O)CCO 22f25662fee7b071f623a80f1a521adb [0,2,0,0,0,0|2,0,0]=4 7421 B12R0.607 CCCC[C@@H](CO)NC(=O)CCS 3f23f7d7ba0af0900b79ac7cdc43cef8 [0,2,0,0,0,0|2,0,0]=4 7422 B12R0.607 CCCC[C@@H](CO)NC(=O)COC d6184a9c3dedc12f9ff1d0e2e7936678 [0,2,0,0,0,0|2,0,0]=4 7423 B12R0.607 CCCC[C@@H](CO)NC(=O)CSC cdc73cfa126dee9d21ad88b85fe5ccb3 [0,2,0,0,0,0|2,0,0]=4 7424 B12R0.607 CCCC[C@H](CO)NC(=O)CCC ad0a967deffe77377bb3fd581eb9384a [0,2,0,0,0,0|1,0,0]=3 7425 B12R0.607 CCCC[C@H](CO)NC(=O)CCF 660a774b3604b0b768c71050be64eafe [0,2,0,0,0,0|2,0,0]=4 7426 B12R0.607 CCCC[C@H](CO)NC(=O)CCO b1aede72f41b102e621ea45432072c4a [0,2,0,0,0,0|2,0,0]=4 7427 B12R0.607 CCCC[C@H](CO)NC(=O)CCS ce810b6d1d050ca82e720470f3f5eb87 [0,2,0,0,0,0|2,0,0]=4 7428 B12R0.607 CCCC[C@H](CO)NC(=O)COC e789090170ef3c108aaa87f2774c5fa4 [0,2,0,0,0,0|2,0,0]=4 7429 B12R0.607 CCCC[C@H](CO)NC(=O)CSC 38233a83aaa62899f4acced9299af7a5 [0,2,0,0,0,0|2,0,0]=4 7430 B12R0.661 CCCC(=O)NC(C)(C)CCCO 65fe6ec09115760666ea0a15a2ab1fa9 [0,2,0,0,0,0|2,0,0]=4 7431 B12R0.661 CCCC(=O)NC(C)(C)CCSC 224736b3b7c58e611d97d7c154cc6a59 [0,2,0,0,0,0|2,0,0]=4 7432 B12R0.661 CCCC(=O)NC(C)(C)COCC a8722ec7b04c056621535c2aed0d3b0d [0,2,0,0,0,0|2,0,0]=4 7433 B12R0.661 CCCC(=O)NC(C)(C)CSCC c212342a21dd7e0f9a07fe22727fa9b5 [0,2,0,0,0,0|2,0,0]=4 7434 B12R0.74 C#CC(CCC)OCC(=O)CCC 08f2402a869f38d6ca44b26291b84df1 [0,2,0,0,0,0|2,0,0]=4 7435 B12R0.74 C#CC(CCC)OCC(C)CCC ba26c7c08921acc4c3b38f7a3d02dd50 [0,2,0,0,0,0|1,0,1]=4 7436 B12R0.74 C=CC(CCC)OCC(=O)CCC 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6bc355a0cbb54d827cc09bd148282dc5 [0,2,0,0,0,0|2,0,0]=4 7470 B12R0.79 CCCC(O)CNC(=O)C(O)CC 8afef975651bb412f181a00015d1ef50 [0,2,0,0,0,0|1,0,0]=3 7471 B12R0.79 CCCC(O)CNC(=O)C(O)CO a5d757b5ff0f1984ff585f05d85f5b9b [0,2,0,0,0,0|2,0,0]=4 7472 B12R0.79 CCCC(O)CNC(=O)N(C)CC 1243d21735268231f47553d8a5040888 [0,2,0,0,0,0|2,0,0]=4 7473 B12R0.79 CCCC(O)CNC(=O)[C@@H](C)OC 9adccce87667de5c8886c6ccecca6158 [0,2,0,0,0,0|2,0,0]=4 7474 B12R0.79 CCCC(O)CNC(=O)[C@@H](O)CC b518d40b97b128eaf1e9d63a447b23d1 [0,2,0,0,0,0|1,0,0]=3 7475 B12R0.79 CCCC(O)CNC(=O)[C@@H](O)CO 0cce5654da0be216073d4e419b26317c [0,2,0,0,0,0|2,0,0]=4 7476 B12R0.79 CCCC(O)CNC(=O)[C@@H](S)CC a22e44e4939f11c256bc67b35d03e576 [0,2,0,0,0,0|1,0,0]=3 7477 B12R0.79 CCCC(O)CNC(=O)[C@H](C)OC 7715f0c0004ce09b142af9cb4eb4ec1c [0,2,0,0,0,0|2,0,0]=4 7478 B12R0.79 CCCC(O)CNC(=O)[C@H](O)CC 249cc76cde0af04934be1189af5ea30e [0,2,0,0,0,0|1,0,0]=3 7479 B12R0.79 CCCC(O)CNC(=O)[C@H](O)CF 6bf0a4de02721c932a5cd04a31fe0597 [0,2,0,0,0,0|2,0,0]=4 7480 B12R0.79 CCC[C@@H](C)CCC(=O)N(C)CC ac1be7c35bd60dcf9e818a90881b0371 [0,2,0,0,0,0|2,0,0]=4 7481 B12R0.79 CCC[C@@H](C)OCC(=O)C(C)CC ab4aa2a98acf4aa3e6943511e31c50dc [0,2,0,0,0,0|2,0,0]=4 7482 B12R0.79 CCC[C@H](C)NCC(=O)C(C)CC b082dc33bde0b204f0345bd766378b48 [0,2,0,0,0,0|2,0,0]=4 7483 B12R0.79 CCC[C@H](C)OCC(=O)C(C)CC 316380b5ccc0c6ee3ada0b73cb09bf0c [0,2,0,0,0,0|2,0,0]=4 7484 B12R0.79 CCOC(=O)OCN(C)C(C)CC 3457ba114810fdf6e61a53e662bd7f3f [0,2,0,0,0,0|2,0,0]=4 7485 B12R0.79 CCOC(C)CNC(=O)C(O)CC 86266de444c3ec3bdded006401333344 [0,2,0,0,0,0|2,0,0]=4 7486 B12R0.79 CCOC(C)CNC(=O)[C@@H](O)CC 71d63280fb189de199ef258d86c65203 [0,2,0,0,0,0|2,0,0]=4 7487 B12R0.79 CCOC(C)CNC(=O)[C@@H](S)CC 8f74a2065387ced013b07c28a39c5294 [0,2,0,0,0,0|2,0,0]=4 7488 B12R0.79 CCOC(C)CNC(=O)[C@H](O)CC 07150537ba854b392c00c99ad9844163 [0,2,0,0,0,0|2,0,0]=4 7489 B12R0.79 CCSC(=O)OCN(C)C(C)CC 67ed160c535016e071ceb606806bf985 [0,2,0,0,0,0|2,0,0]=4 7490 B12R0.79 CC[C@@H](O)C(=O)NCC(C)CCO 6dbd1653476070df249ec372009231d4 [0,2,0,0,0,0|2,0,0]=4 7491 B12R0.79 CC[C@@H](O)C(=O)NCC(O)COC abd1f4582bdcb8009530f169f530d97c [0,2,0,0,0,0|2,0,0]=4 7492 B12R0.79 CC[C@@H](O)C(=O)NC[C@H](O)COC 7f71d1148539d390bfb7ef86e7f6f514 [0,2,0,0,0,0|2,0,0]=4 7493 B12R0.79 CC[C@H](O)C(=O)NCC(C)CCO 40b6a461c519ab949ac911b2902884c5 [0,2,0,0,0,0|2,0,0]=4 7494 B12R0.79 CC[C@H](O)C(=O)NCC(O)COC dac82d23304de98eb2539368c775e4aa [0,2,0,0,0,0|2,0,0]=4 7495 B12R0.79 CC[C@H](O)C(=O)NC[C@H](O)COC efa27ee2294bc549ffcfbc191d2664e7 [0,2,0,0,0,0|2,0,0]=4 7496 B12R0.79 CC[C@H](S)C(=O)NCC(C)CCO 83d4535f241802d2ade8b5949ab9dae5 [0,2,0,0,0,0|2,0,0]=4 7497 B12R0.79 CC[C@H](S)C(=O)NCC(O)COC b3c59861fa4cfb933cb63296c1a3094a [0,2,0,0,0,0|2,0,0]=4 7498 B12R0.79 CC[C@H](S)C(=O)NC[C@H](O)COC 7ffe2adb8d7b9ee60b39bfbbd4dbe590 [0,2,0,0,0,0|2,0,0]=4 7499 B12R0.445 CCCC(=O)NCC(C)(O)CCC 94a5ff430cf46e4b9ff87f22b08bcc6c [0,2,0,0,0,0|1,0,0]=3 7500 B12R0.445 CCCC(=O)NCC(C)(O)COC 14f2dff646306b7b44a0c10982dff7f9 [0,2,0,0,0,0|2,0,0]=4 7501 B12R0.445 CCCC(C)(O)CNC(=O)CCF ec3b40b804750f4684383de8ac02d1fa [0,2,0,0,0,0|2,0,0]=4 7502 B12R0.445 CCCC(C)(O)CNC(=O)CCO 3142a22b85aebf9324d84c90118d0caf [0,2,0,0,0,0|2,0,0]=4 7503 B12R0.445 CCCC(C)(O)CNC(=O)CCS 7f4bc0c4bc18537fa113125eed3e61dc [0,2,0,0,0,0|2,0,0]=4 7504 B12R0.445 CCCC(C)(O)CNC(=O)COC 600a00633bf64abbe1be5325e8e952d5 [0,2,0,0,0,0|2,0,0]=4 7505 B12R0.445 CCCC(C)(O)CNC(=O)CSC b7acce6d4f204cf82a90b5557ff9180d [0,2,0,0,0,0|2,0,0]=4 7506 B12R0.47 C#CCCCC(=O)NCCCCC 08e0dd6d6b88e465519bbaa1758fea68 [0,2,0,0,0,0|1,0,0]=3 7507 B12R0.47 C#CCCCC(=O)NCCCCCl 6ea03568420156c17078ba2f2a92ca81 [0,2,0,0,0,0|2,0,0]=4 7508 B12R0.47 C#CCCCC(=O)NCCCCO c51848f49220fbfddbb31d40071ce153 [0,2,0,0,0,0|2,0,0]=4 7509 B12R0.47 C#CCCCC(=O)NCCCCS dea1e27719c2fd8085335b55b6c83091 [0,2,0,0,0,0|2,0,0]=4 7510 B12R0.47 C#CCCCC(=O)NCCCOC b6e5d85a628097feffd3f2dddf8ae748 [0,2,0,0,0,0|2,0,0]=4 7511 B12R0.47 C#CCCCC(=O)NCCCSC f5f41901ddd76301b3f6053e8ce89ec4 [0,2,0,0,0,0|2,0,0]=4 7512 B12R0.47 C#CCCCC(=O)NCCOCC 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[0,2,0,0,0,0|2,0,0]=4 7524 B12R0.47 C=CCCCC(=O)NCCCOC 84bb1a949728b6052b45d787be78054c [0,2,0,0,0,0|2,0,0]=4 7525 B12R0.47 C=CCCCC(=O)NCCCSC e60f812d7972e95ecec2dcfb03b59bbe [0,2,0,0,0,0|2,0,0]=4 7526 B12R0.47 C=CCCCC(=O)NCCOCC 135229c1ee8ebdd448001cce13c5fd25 [0,2,0,0,0,0|2,0,0]=4 7527 B12R0.47 C=CCCCC(=O)NCCSCC d1819b3dba2072c73e2982061342c1c6 [0,2,0,0,0,0|2,0,0]=4 7528 B12R0.47 C=CCCC[C@H](C)OCCCCC b224997862a4a160d8dd76142bbc6f41 [0,2,0,0,0,0|1,0,1]=4 7529 B12R0.47 C=CCCNC(=O)CCCCCC c330d4c5ae68fa976499c1601e8ba2fa [0,2,0,0,0,0|1,0,1]=4 7530 B12R0.47 C=CCCNC(=O)NCCCCC c0cfef3dd37f161d4a1e8548504a9613 [0,2,0,0,0,0|1,0,1]=4 7531 B12R0.47 C=CCOCC(=O)NCCCCC 9a0459c63f8525b2025a8268e820c0f0 [0,2,0,0,0,0|1,0,1]=4 7532 B12R0.47 C=CCSCC(=O)NCCCCC 6a21d1b536aa843d2e03601ece6a0a26 [0,2,0,0,0,0|1,0,1]=4 7533 B12R0.47 CC#CCCC(=O)NCCCCC b7a1665da6cbad6e4c9005283d08bae4 [0,2,0,0,0,0|1,0,0]=3 7534 B12R0.47 CC#CCCC(=O)NCCCCCl 0ccf8b25756b33ffa459ac9d13752172 [0,2,0,0,0,0|2,0,0]=4 7535 B12R0.47 CC#CCCC(=O)NCCCCO 2f98dca7d7d37ff34a46a84d4d522ba1 [0,2,0,0,0,0|2,0,0]=4 7536 B12R0.47 CC#CCCC(=O)NCCCCS 90c2bbdde8210186740a6a78cda8a1c0 [0,2,0,0,0,0|2,0,0]=4 7537 B12R0.47 CC#CCCC(=O)NCCCOC 0b136e02cc6be67eb95db6cb94ed1c3d [0,2,0,0,0,0|2,0,0]=4 7538 B12R0.47 CC#CCCC(=O)NCCCSC d0ee16ac8ef8e665e1b11130b3fc4929 [0,2,0,0,0,0|2,0,0]=4 7539 B12R0.47 CC#CCCC(=O)NCCOCC 3c9998538df6f1fb6ee728f1abc6a4ad [0,2,0,0,0,0|2,0,0]=4 7540 B12R0.47 CC#CCCC(=O)NCCSCC d2df748c67e0a08559e993db9b27766b [0,2,0,0,0,0|2,0,0]=4 7541 B12R0.47 CC#CCNC(=O)CCCCCC 180d6967215ad621444e7fd2416f2229 [0,2,0,0,0,0|1,0,1]=4 7542 B12R0.47 CC#CCNC(=O)NCCCCC 87f3e44f93a14e93e18010976ffe97cf [0,2,0,0,0,0|1,0,1]=4 7543 B12R0.47 CC/C=C/CC(=O)NCCCCC 940f00cc07c5e329d645b46275494768 [0,2,0,0,0,0|1,0,0]=3 7544 B12R0.47 CC/C=C/CC(=O)NCCCCCl 2c3c83cb2fb2a6e4cb7129bd7edb6838 [0,2,0,0,0,0|2,0,0]=4 7545 B12R0.47 CC/C=C/CC(=O)NCCCCO 1d2d397dfb5cadfc37ff793a48ff92bd [0,2,0,0,0,0|2,0,0]=4 7546 B12R0.47 CC/C=C/CC(=O)NCCCCS a5957955fb45a576ebcfd11efaea5698 [0,2,0,0,0,0|2,0,0]=4 7547 B12R0.47 CC/C=C/CC(=O)NCCCOC c9a57731bfdeda0c25d2ee1702142569 [0,2,0,0,0,0|2,0,0]=4 7548 B12R0.47 CC/C=C/CC(=O)NCCCSC 5c2ef53f3ec3edc598710473a430cc7d [0,2,0,0,0,0|2,0,0]=4 7549 B12R0.47 CC/C=C/CC(=O)NCCOCC abfb6ca7fe8bb37ece817d790d0e9197 [0,2,0,0,0,0|2,0,0]=4 7550 B12R0.47 CC/C=C/CC(=O)NCCSCC b63ec0ab9bc382ec89fa3085c11acaf7 [0,2,0,0,0,0|2,0,0]=4 7551 B12R0.47 CC/C=C\CC(=O)NCCCCC ffa7f4f086207d8f8ec7583d6ff6101f [0,2,0,0,0,0|1,0,0]=3 7552 B12R0.47 CC/C=C\CC(=O)NCCCCCl 4c5d48c85973e561994a7002314a0c7e [0,2,0,0,0,0|2,0,0]=4 7553 B12R0.47 CC/C=C\CC(=O)NCCCCO e371eb32dda8e2251a51b06b8fef4685 [0,2,0,0,0,0|2,0,0]=4 7554 B12R0.47 CC/C=C\CC(=O)NCCCCS dd7a7515601534df8d42d3551aeb05b2 [0,2,0,0,0,0|2,0,0]=4 7555 B12R0.47 CC/C=C\CC(=O)NCCCOC e17b776d34f45983595ee4b466c26c14 [0,2,0,0,0,0|2,0,0]=4 7556 B12R0.47 CC/C=C\CC(=O)NCCCSC 4a3f02980bbc9fd9f25d9e1497e2f3cb [0,2,0,0,0,0|2,0,0]=4 7557 B12R0.47 CC/C=C\CC(=O)NCCOCC d81a67bae3ab75e131c4b1c1aaf7a835 [0,2,0,0,0,0|2,0,0]=4 7558 B12R0.47 CC/C=C\CC(=O)NCCSCC 63b4a3258adb797ae79369e1feb8cc1f [0,2,0,0,0,0|2,0,0]=4 7559 B12R0.47 CC=CCCC(=O)NCCCCC 33d88b32e41bd210f1d49cf481725af0 [0,2,0,0,0,0|1,0,0]=3 7560 B12R0.47 CC=CCCC(=O)NCCCCCl 8740597159ecc7d4c6da682ab3bd6959 [0,2,0,0,0,0|2,0,0]=4 7561 B12R0.47 CC=CCCC(=O)NCCCCO 9e1a1aefa754b98c993c2eb71d7bfc8c [0,2,0,0,0,0|2,0,0]=4 7562 B12R0.47 CC=CCCC(=O)NCCCCS 82f588f252c08c7a202b94273cd2acbc [0,2,0,0,0,0|2,0,0]=4 7563 B12R0.47 CC=CCCC(=O)NCCCOC 39f4e3cbd133d5e3f93d6542122903cd [0,2,0,0,0,0|2,0,0]=4 7564 B12R0.47 CC=CCCC(=O)NCCCSC 99b0c056e10a3e719246c8b92fb1f0ec [0,2,0,0,0,0|2,0,0]=4 7565 B12R0.47 CC=CCCC(=O)NCCOCC be63fce1158b13958940301e3d2f137a [0,2,0,0,0,0|2,0,0]=4 7566 B12R0.47 CC=CCCC(=O)NCCSCC 31238b658e6724a5d7ddb8d3abaf77f7 [0,2,0,0,0,0|2,0,0]=4 7567 B12R0.47 CC=CCNC(=O)CCCCCC 3e83eef6c2da34221bc78731aa393438 [0,2,0,0,0,0|1,0,1]=4 7568 B12R0.47 CC=CCNC(=O)NCCCCC 7a1aec1b76552c50c77015175403e34b [0,2,0,0,0,0|1,0,1]=4 7569 B12R0.47 CCC#CCC(C)OCCCCC 98e7f0f59d6fa3b34ba6da4308342dea [0,2,0,0,0,0|1,0,1]=4 7570 B12R0.47 CCC/C=C/C(=O)NCCCCC ea643cb8790244b284ad37e1d5b63974 [0,2,0,0,0,0|1,0,0]=3 7571 B12R0.47 CCC/C=C/C(=O)NCCCCCl 7f2fb6e0e2980c78c095a53eeabe5e22 [0,2,0,0,0,0|2,0,0]=4 7572 B12R0.47 CCC/C=C/C(=O)NCCCCO b5468e0b69addca19fd254429ee670a6 [0,2,0,0,0,0|2,0,0]=4 7573 B12R0.47 CCC/C=C/C(=O)NCCCCS 13bdc9654f0f4775716c5d80527f7e49 [0,2,0,0,0,0|2,0,0]=4 7574 B12R0.47 CCC/C=C/C(=O)NCCCOC ec52c0532735efb6258af2659edd1ce6 [0,2,0,0,0,0|2,0,0]=4 7575 B12R0.47 CCC/C=C/C(=O)NCCCSC b17758f9cc1abccc3da9316217fefb19 [0,2,0,0,0,0|2,0,0]=4 7576 B12R0.47 CCC/C=C/C(=O)NCCOCC 81bf850c86addc2cd0b7cfa2e924a81b [0,2,0,0,0,0|2,0,0]=4 7577 B12R0.47 CCC/C=C/C(=O)NCCSCC 6893c2aacde230c98c295718292fee24 [0,2,0,0,0,0|2,0,0]=4 7578 B12R0.47 CCC=CCC(=O)NCCCCC 5e686aa7b1901d151515114dc104c375 [0,2,0,0,0,0|1,0,0]=3 7579 B12R0.47 CCC=CCC(=O)NCCCCCl bc49ee6ebfa2e70186f48eec2304e8e5 [0,2,0,0,0,0|2,0,0]=4 7580 B12R0.47 CCC=CCC(=O)NCCCCO 9c0e0d59559b8a59adaa17bb45febf6e [0,2,0,0,0,0|2,0,0]=4 7581 B12R0.47 CCC=CCC(=O)NCCCCS a434f9475f8107a383d9d780aba3f1f3 [0,2,0,0,0,0|2,0,0]=4 7582 B12R0.47 CCC=CCC(=O)NCCCOC d74df9500bc63609c3e0c74b192a46bb [0,2,0,0,0,0|2,0,0]=4 7583 B12R0.47 CCC=CCC(=O)NCCCSC 4da8b4ca8fca8a97a5178711dc517de9 [0,2,0,0,0,0|2,0,0]=4 7584 B12R0.47 CCC=CCC(=O)NCCOCC 380fb4a6b605505c31331f2d70424f7b [0,2,0,0,0,0|2,0,0]=4 7585 B12R0.47 CCC=CCC(=O)NCCSCC 79f7b69981cf7cccb3c4693818d0b447 [0,2,0,0,0,0|2,0,0]=4 7586 B12R0.47 CCCC#CC(=O)NCCCCC 4240d90a986990cfb89bcc75ae37b050 [0,2,0,0,0,0|1,0,0]=3 7587 B12R0.47 CCCC#CC(=O)NCCCCCl c9c178f976b2da77738ac2424b206abf [0,2,0,0,0,0|2,0,0]=4 7588 B12R0.47 CCCC#CC(=O)NCCCCO 22f63ff1da11bf536ce4c873bf20ee50 [0,2,0,0,0,0|2,0,0]=4 7589 B12R0.47 CCCC#CC(=O)NCCCCS b1294cb0052605149e616a3e9ca2c7b3 [0,2,0,0,0,0|2,0,0]=4 7590 B12R0.47 CCCC#CC(=O)NCCCOC d609caeb8d668dc0563a2deff6a1bfbb [0,2,0,0,0,0|2,0,0]=4 7591 B12R0.47 CCCC#CC(=O)NCCCSC ce607ea5d7173f22bb77700c3aca9c80 [0,2,0,0,0,0|2,0,0]=4 7592 B12R0.47 CCCC#CC(=O)NCCOCC f0d625babe0e065d044387bf0f052389 [0,2,0,0,0,0|2,0,0]=4 7593 B12R0.47 CCCC#CC(=O)NCCSCC 2cad7b71fc5cd7c436bb5cc74822afb5 [0,2,0,0,0,0|2,0,0]=4 7594 B12R0.47 CCCC/C=C/C(=O)NCCCC fc18913fe6c43f51a23391bf0570de5a [0,2,0,0,0,0|1,0,1]=4 7595 B12R0.47 CCCC/C=C/C(=O)NCCCCl 6a79d86a3d82af2dd359e5a20b25d49d [0,2,0,0,0,0|1,0,1]=4 7596 B12R0.47 CCCC/C=C/C(=O)NCCCO 2483b9d6265cdedffd09b40fc096f4ab [0,2,0,0,0,0|1,0,1]=4 7597 B12R0.47 CCCC/C=C/C(=O)NCCOC 836e9bdcb5c25d29672a1bf221e222d0 [0,2,0,0,0,0|1,0,1]=4 7598 B12R0.47 CCCC/C=C/C(=O)NCCSC 833c53ee1fe66b69771f2a08f9266357 [0,2,0,0,0,0|1,0,1]=4 7599 B12R0.47 CCCC=CC(=O)NCCCCC e0ffa972a54ceb76b200c86463cb940c [0,2,0,0,0,0|1,0,0]=3 7600 B12R0.47 CCCC=CC(=O)NCCCCCl 375dd82e32ea8f2f4a4ec78d45a7a10f [0,2,0,0,0,0|2,0,0]=4 7601 B12R0.47 CCCC=CC(=O)NCCCCO 978c03b606677bab7ec84038ad366b21 [0,2,0,0,0,0|2,0,0]=4 7602 B12R0.47 CCCC=CC(=O)NCCCCS e54e547e6145625b89266669f1f39c75 [0,2,0,0,0,0|2,0,0]=4 7603 B12R0.47 CCCC=CC(=O)NCCCOC 3961dee8e1c9efbe0703da7dcb79d160 [0,2,0,0,0,0|2,0,0]=4 7604 B12R0.47 CCCC=CC(=O)NCCCSC 5f9a3f3ea8f48f4477edf3a5f1361ee0 [0,2,0,0,0,0|2,0,0]=4 7605 B12R0.47 CCCC=CC(=O)NCCOCC ee7c5c17bbae83882b47961be1d119de [0,2,0,0,0,0|2,0,0]=4 7606 B12R0.47 CCCC=CC(=O)NCCSCC c1283ea277a22d96205bb71adf7c4897 [0,2,0,0,0,0|2,0,0]=4 7607 B12R0.47 CCCCC#CC(=O)NCCCC 2a89c0375ac1fb5fc88b7bfa55bdfb13 [0,2,0,0,0,0|1,0,1]=4 7608 B12R0.47 CCCCC#CC(=O)NCCCCl dc42b878447fd0ad41b36e52969f770a [0,2,0,0,0,0|1,0,1]=4 7609 B12R0.47 CCCCC#CC(=O)NCCCO 8501fbc3e5d44dc29a4646b2d79e1594 [0,2,0,0,0,0|1,0,1]=4 7610 B12R0.47 CCCCC#CC(=O)NCCOC 6015465ea0e94536b312cfee494a06d5 [0,2,0,0,0,0|1,0,1]=4 7611 B12R0.47 CCCCC#CC(=O)NCCSC 85570b31101c24068e1e1cb34e0cf0f6 [0,2,0,0,0,0|1,0,1]=4 7612 B12R0.47 CCCCC=CC(=O)NCCCC af1f565c2422d5c4cc467057db7aeb3d [0,2,0,0,0,0|1,0,1]=4 7613 B12R0.47 CCCCC=CC(=O)NCCCCl 1e89b04024dc10e5144e6cc208b3438b [0,2,0,0,0,0|1,0,1]=4 7614 B12R0.47 CCCCC=CC(=O)NCCCO e1f72be2a23cc6497679b95b69f08949 [0,2,0,0,0,0|1,0,1]=4 7615 B12R0.47 CCCCC=CC(=O)NCCOC 3a4698610640372d98165a0d9dd97e36 [0,2,0,0,0,0|1,0,1]=4 7616 B12R0.47 CCCCC=CC(=O)NCCSC 9d3ee9fd07556c1c523ca9327050f754 [0,2,0,0,0,0|1,0,1]=4 7617 B12R0.47 CCCCCC(=O)CNCCCC c300affc40eee1711d5b85e7ad74bc0e [0,2,0,0,0,0|2,0,0]=4 7618 B12R0.47 CCCCCC(=O)COCCCC 574e5f1248d45032bf11a404f8956b48 [0,2,0,0,0,0|2,0,0]=4 7619 B12R0.47 CCCCCC(=O)NCCCCCl accf787a7fc15151222ada8cbe596efa [0,2,0,0,0,0|2,0,0]=4 7620 B12R0.47 CCCCCC(=O)NCCCCO 950c96f7adf5e1c718e10c6389a568ae [0,2,0,0,0,0|2,0,0]=4 7621 B12R0.47 CCCCCC(=O)NCCCCS 7ec78a20ffd9184b910af69a0fd50b57 [0,2,0,0,0,0|2,0,0]=4 7622 B12R0.47 CCCCCC(=O)NCCCOC b007441d7f742a3ec7af2d80a3a016f5 [0,2,0,0,0,0|2,0,0]=4 7623 B12R0.47 CCCCCC(=O)NCCCSC 0f8ca69922003eb4c7f5c056650f3903 [0,2,0,0,0,0|2,0,0]=4 7624 B12R0.47 CCCCCC(=O)NCCOCC 28cc0675146910d21fd237b7979809e0 [0,2,0,0,0,0|2,0,0]=4 7625 B12R0.47 CCCCCC(=O)NCCSCC caa899ffb54dbd4ab116d740a0a13ce4 [0,2,0,0,0,0|2,0,0]=4 7626 B12R0.47 CCCCCC(=O)OCNCCC b53aca10ef5419ef2deccb920e0dc3bd [0,2,0,0,0,0|1,0,0]=3 7627 B12R0.47 CCCCCC(=O)OCNCCF ab88f637eb975ab2644d07530eca542f [0,2,0,0,0,0|2,0,0]=4 7628 B12R0.47 CCCCCC(=O)OCNCCI 2442df03f35be67bfed4c5fa3cf80835 [0,2,0,0,0,0|2,0,0]=4 7629 B12R0.47 CCCCCC(=O)OCNCCO ac41b18d360578d3f5b94a89fd362448 [0,2,0,0,0,0|2,0,0]=4 7630 B12R0.47 CCCCCC(=O)OCNCCS ae0907df5d96cb5566748e5b71dc0aed [0,2,0,0,0,0|2,0,0]=4 7631 B12R0.47 CCCCCC(=O)OCOCCC a6f3b4272717dc6f7c45519834b075d7 [0,2,0,0,0,0|1,0,0]=3 7632 B12R0.47 CCCCCC(=O)OCOCCS a273217f9f69a94ffb79cdc8d5408f20 [0,2,0,0,0,0|2,0,0]=4 7633 B12R0.47 CCCCCC(=O)OCOCOC 6a225f0740add87ef9c2e6ed3587fbfa [0,2,0,0,0,0|2,0,0]=4 7634 B12R0.47 CCCCCCC(=O)NCCC#N 98cd2c3e54ccf23bdb791b3eebf5befb [0,2,0,0,0,0|1,0,1]=4 7635 B12R0.47 CCCCCCC(=O)NCCCC 950215fe406f48df6ea21c4bbcd323ee [0,2,0,0,0,0|1,0,0]=3 7636 B12R0.47 CCCCCCC(=O)NCCCCl f16a48c6be5b61c90800b5593eaed8e6 [0,2,0,0,0,0|1,0,0]=3 7637 B12R0.47 CCCCCCC(=O)NCCCO 6759e157de9d1c72bc88d2ef60bf8325 [0,2,0,0,0,0|1,0,0]=3 7638 B12R0.47 CCCCCCC(=O)NCCOC 4518ab08a03508ab64ca0bd9cde44d77 [0,2,0,0,0,0|1,0,0]=3 7639 B12R0.47 CCCCCCC(=O)NCCON e4809f22a5580e69bb105128b92f3f69 [0,2,0,0,0,0|2,0,0]=4 7640 B12R0.47 CCCCCCC(=O)NCCSC 1f716e995779a8d5cbc0c42739af4a81 [0,2,0,0,0,0|1,0,0]=3 7641 B12R0.47 CCCCCNC(=O)/C=C/COC e365aa86ad4deee4f4beddc198217dba [0,2,0,0,0,0|1,0,1]=4 7642 B12R0.47 CCCCCNC(=O)/C=C/OCC f9712b12c9119b072924bd137cd7d2eb [0,2,0,0,0,0|1,0,1]=4 7643 B12R0.47 CCCCCNC(=O)C#CCCO 7f76a1c7d46b30a643ccfb8b224a8d4d [0,2,0,0,0,0|1,0,1]=4 7644 B12R0.47 CCCCCNC(=O)C#CCOC 9978ffe71e04ef0ebd793bc7969500c9 [0,2,0,0,0,0|1,0,1]=4 7645 B12R0.47 CCCCCNC(=O)C=CCOC 098abef862bdf513d5b4a7a49eff7b5f [0,2,0,0,0,0|1,0,1]=4 7646 B12R0.47 CCCCCNC(=O)C=COCC 2fbacfc2f3defb5ef07f3d78340995d2 [0,2,0,0,0,0|1,0,1]=4 7647 B12R0.47 CCCCCNC(=O)CCCC#N a5f74611dc1b307a75df2ab894a40206 [0,2,0,0,0,0|1,0,0]=3 7648 B12R0.47 CCCCCNC(=O)CCCC=O b09ad783296d346931cf98a6dd1ae856 [0,2,0,0,0,0|1,0,0]=3 7649 B12R0.47 CCCCCNC(=O)CCCCC b5fe642543dcb5e20a67f916a9dcc468 [0,2,0,0,0,0|1,0,0]=3 7650 B12R0.47 CCCCCNC(=O)CCCCF d7d479200460399b62b9318dfc89379f [0,2,0,0,0,0|1,0,0]=3 7651 B12R0.47 CCCCCNC(=O)CCCCO c1212cbafc3a233aca40a5c966281589 [0,2,0,0,0,0|1,0,0]=3 7652 B12R0.47 CCCCCNC(=O)CCCCS 974a6ffc937bf1506409188a7705deb2 [0,2,0,0,0,0|1,0,0]=3 7653 B12R0.47 CCCCCNC(=O)CCCOC c2906328fee3052816cd637263b1222e [0,2,0,0,0,0|1,0,0]=3 7654 B12R0.47 CCCCCNC(=O)CCCSC bd5fb2b8eff18d6db3902ac33e8b45a4 [0,2,0,0,0,0|1,0,0]=3 7655 B12R0.47 CCCCCNC(=O)CCOCC cdfb470aab8a9345824c0f92b9abe48a [0,2,0,0,0,0|1,0,0]=3 7656 B12R0.47 CCCCCNC(=O)CCSCC 8f07a2091df72753d74d1e8db3695c39 [0,2,0,0,0,0|1,0,0]=3 7657 B12R0.47 CCCCCNC(=O)CCSSC 330b94fc213faef96d1bd8bd9b9654cf [0,2,0,0,0,0|1,0,0]=3 7658 B12R0.47 CCCCCNC(=O)CNCC#N 2620f37a7569cc8766f214ce3e911f96 [0,2,0,0,0,0|1,0,1]=4 7659 B12R0.47 CCCCCNC(=O)CNCCBr 3e5bc2436a9a44cc6c868a505d20ad4d [0,2,0,0,0,0|1,0,0]=3 7660 B12R0.47 CCCCCNC(=O)CNCCC 22592a6e4195a9c61bbaf28c46ee764e [0,2,0,0,0,0|1,0,0]=3 7661 B12R0.47 CCCCCNC(=O)CNCCF 83e0ee665111b3d12d40adc8db7a3571 [0,2,0,0,0,0|1,0,0]=3 7662 B12R0.47 CCCCCNC(=O)CNCCI 3993e084f543c26a034bac8a69b9f8ee [0,2,0,0,0,0|1,0,0]=3 7663 B12R0.47 CCCCCNC(=O)CNCCO cdfb4ee3ac405e4961f2936c4a32288c [0,2,0,0,0,0|1,0,0]=3 7664 B12R0.47 CCCCCNC(=O)CNCCS 0e840fb531c3f99166c6467bfb91693a [0,2,0,0,0,0|1,0,0]=3 7665 B12R0.47 CCCCCNC(=O)COCC#N bb4fd9c30606a616764a9eea640b0b8e [0,2,0,0,0,0|1,0,1]=4 7666 B12R0.47 CCCCCNC(=O)COCCC 747800b86160b7cb84a42839beab95d1 [0,2,0,0,0,0|1,0,0]=3 7667 B12R0.47 CCCCCNC(=O)COCCF 026c86b7b6653160d0a0282ce6f69011 [0,2,0,0,0,0|1,0,0]=3 7668 B12R0.47 CCCCCNC(=O)COCCO 1004e709a2d0826a7a20995063de8765 [0,2,0,0,0,0|1,0,0]=3 7669 B12R0.47 CCCCCNC(=O)COCCS e4266792d963d82994051ca526726fc4 [0,2,0,0,0,0|1,0,0]=3 7670 B12R0.47 CCCCCNC(=O)COCOC b0ff591ee563253dbd330daf468b94e0 [0,2,0,0,0,0|1,0,0]=3 7671 B12R0.47 CCCCCNC(=O)CSCC#N e11e3505e73bcc476cc1c3b0db4cb47f [0,2,0,0,0,0|1,0,1]=4 7672 B12R0.47 CCCCCNC(=O)CSCCC 3f18399479ae3f58f822f80722554d8c [0,2,0,0,0,0|1,0,0]=3 7673 B12R0.47 CCCCCNC(=O)NCCC#N 66644c75e6b56946a928f33f46f6a4f9 [0,2,0,0,0,0|1,0,1]=4 7674 B12R0.47 CCCCCNC(=O)NCCCC 6be9e272633a1eb6f56b2d0608a5a7ae [0,2,0,0,0,0|1,0,0]=3 7675 B12R0.47 CCCCCNC(=O)NCCCN b04e4d5b7c2260d01a7f5367f5f06bce [0,2,0,0,0,0|1,0,0]=3 7676 B12R0.47 CCCCCNC(=O)NCCCO f5ee728d425f4b5d73071383e404f28c [0,2,0,0,0,0|1,0,0]=3 7677 B12R0.47 CCCCCNC(=O)NCCOC 7a40fd3265cd7bef22dd86f95afc26ee [0,2,0,0,0,0|1,0,0]=3 7678 B12R0.47 CCCCCNC(=O)NCCON 22d8f92cc036753440f3c2c82a195045 [0,2,0,0,0,0|2,0,0]=4 7679 B12R0.47 CCCCCNC(=O)NCCSC 3eed7de4e6aabcce5d785a2c6d22ae72 [0,2,0,0,0,0|1,0,0]=3 7680 B12R0.47 CCCCCNC(=S)NCCCC a97c5744f058d9ff2daf622cba58216c [0,2,0,0,0,0|1,1,0]=4 7681 B12R0.47 CCCCCNC(=S)NCCCN 729a2ddd0a042cb0380d190450e7a29e [0,2,0,0,0,0|1,1,0]=4 7682 B12R0.47 CCCCCNC(=S)NCCCO 3f0b6f92136aa3add0ecfecf4a9706d2 [0,2,0,0,0,0|1,1,0]=4 7683 B12R0.47 CCCCCNC(=S)NCCOC 8c1ae860abef2fdb572cfc893efbe32c [0,2,0,0,0,0|1,1,0]=4 7684 B12R0.47 CCCCCNC(=S)NCCSC 7f2ca4639d0c71eaf34931e847f70d66 [0,2,0,0,0,0|1,1,0]=4 7685 B12R0.47 CCCCCOC(C)CCCCC 7443a84e40d2932ee1d5a472c2231e17 [0,2,0,0,0,0|1,0,1]=4 7686 B12R0.47 CCCCCOC(C)COCCC 258736fdf5058f983f2e3e25a3da1659 [0,2,0,0,0,0|1,0,1]=4 7687 B12R0.47 CCCCCO[C@@H](C)CCCCC 5b2337bab3407ac539351ae21058fba3 [0,2,0,0,0,0|1,0,1]=4 7688 B12R0.47 CCCCCO[C@H](C)CCCCC 341c46d1c539437246e8853668633897 [0,2,0,0,0,0|1,0,1]=4 7689 B12R0.47 CCCCNC(=O)CCCCCF 2d2ace780ba2ba4cd1b15057005fa5cc [0,2,0,0,0,0|2,0,0]=4 7690 B12R0.47 CCCCNC(=O)CCCCCO d48cb3643aa594621d14c8897847d40c [0,2,0,0,0,0|2,0,0]=4 7691 B12R0.47 CCCCNC(=O)CCCCCS be9a3a920d54b6e82a40a20194e4c1b1 [0,2,0,0,0,0|2,0,0]=4 7692 B12R0.47 CCCCNC(=O)CCOCCC d0e2a9e04e899c5c1a5e3ed9f368e4df [0,2,0,0,0,0|2,0,0]=4 7693 B12R0.47 CCCCNC(=O)COCCCC 40ca8b8d38d2249a1a63f53a5e2ed5e3 [0,2,0,0,0,0|2,0,0]=4 7694 B12R0.47 CCCCNC(=O)CSCCCC a2f8d26d207f56e96cc1240c72fea9aa [0,2,0,0,0,0|2,0,0]=4 7695 B12R0.47 CCCCNC(=O)NCCCCN 732915f33de9e5dc03c61a61c2426dd8 [0,2,0,0,0,0|2,0,0]=4 7696 B12R0.47 CCCCNC(=O)NCCCCO 66faf07cb3bd94c7af8d1c83cfb49d16 [0,2,0,0,0,0|2,0,0]=4 7697 B12R0.47 CCCCNC(=O)NCCCCS 38c0dff629b0d50785068041d2a078fa [0,2,0,0,0,0|2,0,0]=4 7698 B12R0.47 CCCCNC(=O)NCCCOC 8082f0038f0a1fb9d04a8491ae55be24 [0,2,0,0,0,0|2,0,0]=4 7699 B12R0.47 CCCCNC(=O)NCCCSC cf25447c99527e6e280dcb4ddba175ec [0,2,0,0,0,0|2,0,0]=4 7700 B12R0.47 CCCCNC(=O)NCCOCC 41f9ee57cc6753202e7053a67b6e25ed [0,2,0,0,0,0|2,0,0]=4 7701 B12R0.47 CCCCNC(=O)NCCSCC f3286dde26ab2165ae9470c5ee117e83 [0,2,0,0,0,0|2,0,0]=4 7702 B12R0.47 CCCCNCC(=O)NCCCC a409d1a8bd6f9d37045735bb5b772384 [0,2,0,0,0,0|2,0,0]=4 7703 B12R0.47 CCCCNCC(=O)NCCOC daac41d263013022a696e72b483e34bc [0,2,0,0,0,0|2,0,0]=4 7704 B12R0.47 CCCCNCC(=O)OCCCC 8cf36cfe80d146e028be9b047eb4b88c [0,2,0,0,0,0|2,0,0]=4 7705 B12R0.47 CCCCNCC(=O)OCCOC 069ddb12c169e4b2c894bdf9cd5698fb [0,2,0,0,0,0|2,0,0]=4 7706 B12R0.47 CCCCOC(=O)CCCOCC 0a6013eb1423d39275d7f3a4a0490909 [0,2,0,0,0,0|2,0,0]=4 7707 B12R0.47 CCCCOC(=O)OCNCCBr e5cc5e8b86f5531c33384198a73d88ce [0,2,0,0,0,0|2,0,0]=4 7708 B12R0.47 CCCCOC(=O)OCNCCC ce3e29aaf03e4dc0deced2dce2975a25 [0,2,0,0,0,0|1,0,0]=3 7709 B12R0.47 CCCCOC(=O)OCNCCF 55f55797454695296216536be7ca0994 [0,2,0,0,0,0|2,0,0]=4 7710 B12R0.47 CCCCOC(=O)OCNCCI e9f7a4c5f6740cf3a0a35910efbe0fd9 [0,2,0,0,0,0|2,0,0]=4 7711 B12R0.47 CCCCOC(=O)OCNCCO ce5030ba9cef868e700abd0934c9c387 [0,2,0,0,0,0|2,0,0]=4 7712 B12R0.47 CCCCOC(=O)OCNCCS 61bb1ee95705e4020200b10124c1b8fb [0,2,0,0,0,0|2,0,0]=4 7713 B12R0.47 CCCCOC(=O)OCOCCC 0b7e31575fe79e55e910c65c27aca9bc [0,2,0,0,0,0|1,0,0]=3 7714 B12R0.47 CCCCOC(=O)OCOCCF 80985ff96adf15e912b0be73a4f8870d [0,2,0,0,0,0|2,0,0]=4 7715 B12R0.47 CCCCOC(=O)OCOCCS 7aa94607db4117a0d319892a8ce6d2d9 [0,2,0,0,0,0|2,0,0]=4 7716 B12R0.47 CCCCOC(=O)OCOCOC 6cfeff46e4cabf6f542f2f795d12662a [0,2,0,0,0,0|2,0,0]=4 7717 B12R0.47 CCCCOCC(=O)NCCCCl 5df0871f050ae494734d0277243e8c82 [0,2,0,0,0,0|2,0,0]=4 7718 B12R0.47 CCCCOCC(=O)NCCCO e8d83686e66909aa7db541d8544ed325 [0,2,0,0,0,0|2,0,0]=4 7719 B12R0.47 CCCCOCC(=O)NCCOC 34d104f4d6daa0f2cb228b269b5183f1 [0,2,0,0,0,0|2,0,0]=4 7720 B12R0.47 CCCCOCC(=O)NCCSC 0abb1275428c4b79c7314e0c7d0049d6 [0,2,0,0,0,0|2,0,0]=4 7721 B12R0.47 CCCCOCC(=O)OCCCC ccfbb6321c0687b52bcffe6aebfb7b82 [0,2,0,0,0,0|2,0,0]=4 7722 B12R0.47 CCCCOCC(=O)OCCOC 03a6b96b7e42c407dba7c09a13aecb33 [0,2,0,0,0,0|2,0,0]=4 7723 B12R0.47 CCCCSCC(=O)NCCCCl 0ffa47edd6d692f4bc4fc4b6733f0c90 [0,2,0,0,0,0|2,0,0]=4 7724 B12R0.47 CCCCSCC(=O)NCCCO 6832fc3d6092154539432cb00c3cf41f [0,2,0,0,0,0|2,0,0]=4 7725 B12R0.47 CCCCSCC(=O)NCCOC c30787cab975537d5660734f405800a4 [0,2,0,0,0,0|2,0,0]=4 7726 B12R0.47 CCCCSCC(=O)NCCSC a211f590f879ef2319ff01d912df2317 [0,2,0,0,0,0|2,0,0]=4 7727 B12R0.47 CCCNCC(=O)NCCOCC f7d0c896b060058411e91dc4761f247d [0,2,0,0,0,0|2,0,0]=4 7728 B12R0.47 CCCNCC(=O)OCCOCC 05ea51f226d1004901f7e416f22e7390 [0,2,0,0,0,0|1,0,0]=3 7729 B12R0.47 CCCOCC(=O)NCCCCCl cdbbdaeadcb3deaaa4c48508ddaa5515 [0,2,0,0,0,0|2,0,0]=4 7730 B12R0.47 CCCOCC(=O)NCCCCO bdaa51d13edfa29a45cf15fdb7e2bd10 [0,2,0,0,0,0|2,0,0]=4 7731 B12R0.47 CCCOCC(=O)NCCCCS 818b5dd4c5e39861682881a9a7de95f2 [0,2,0,0,0,0|2,0,0]=4 7732 B12R0.47 CCCOCC(=O)NCCCOC a0e2646720167fda978a544dd347ed63 [0,2,0,0,0,0|2,0,0]=4 7733 B12R0.47 CCCOCC(=O)NCCCSC 0783f9be49d03c68e8f784b1d03cd695 [0,2,0,0,0,0|2,0,0]=4 7734 B12R0.47 CCCOCC(=O)NCCOCC 050d7334078f086c263cc29fdce7b976 [0,2,0,0,0,0|2,0,0]=4 7735 B12R0.47 CCCOCC(=O)NCCSCC a606c5c4494de65255e42816935e4b64 [0,2,0,0,0,0|2,0,0]=4 7736 B12R0.47 CCCOCC(=O)OCCOCC 808c13b53d8a9dbfebd44fc14370a72d [0,2,0,0,0,0|1,0,0]=3 7737 B12R0.47 CCCOCCC(=O)NCCCCl 333a18b8cf73c0f1a4819c7a5f32a44d [0,2,0,0,0,0|2,0,0]=4 7738 B12R0.47 CCCOCCC(=O)NCCCO 2d27b683f37bfb7b6e3757c9d51021a7 [0,2,0,0,0,0|2,0,0]=4 7739 B12R0.47 CCCOCCC(=O)NCCOC a39c60042c874ab2e5561717beaf6476 [0,2,0,0,0,0|2,0,0]=4 7740 B12R0.47 CCCOCCC(=O)NCCSC a2405d22a7ef3ade6d2da5252e5168d5 [0,2,0,0,0,0|2,0,0]=4 7741 B12R0.47 CCCSCC(=O)NCCCCCl a2117c863453c609050f94fd70b0337f [0,2,0,0,0,0|2,0,0]=4 7742 B12R0.47 CCCSCC(=O)NCCCCO 682875cdc8f98070d205e21f71626540 [0,2,0,0,0,0|2,0,0]=4 7743 B12R0.47 CCCSCC(=O)NCCCCS 49f1325f6a5a8102395a6b7b2a96d79c [0,2,0,0,0,0|2,0,0]=4 7744 B12R0.47 CCCSCC(=O)NCCCOC e7d7996cf140084e5dd3f28c96888ccc [0,2,0,0,0,0|2,0,0]=4 7745 B12R0.47 CCCSCC(=O)NCCCSC 20ee2f93fd60fb93bb016437cfd7e1b5 [0,2,0,0,0,0|2,0,0]=4 7746 B12R0.47 CCCSCC(=O)NCCOCC f41afa6a9a8a2652c3b4ccb592d6ca28 [0,2,0,0,0,0|2,0,0]=4 7747 B12R0.47 CCCSCC(=O)NCCSCC b8e0b345abefbc171f1cd226bf812fa1 [0,2,0,0,0,0|2,0,0]=4 7748 B12R0.47 CCOCCC(=O)NCCCCCl f730159477ec6aa4526af117e062873e [0,2,0,0,0,0|2,0,0]=4 7749 B12R0.47 CCOCCC(=O)NCCCCO 18600941f9841444db1c391f619e9201 [0,2,0,0,0,0|2,0,0]=4 7750 B12R0.47 CCOCCC(=O)NCCCCS e110b16d7d7b76d0847606747890017d [0,2,0,0,0,0|2,0,0]=4 7751 B12R0.47 CCOCCC(=O)NCCCOC 4da9180f8a26bd52a872960bb54c4e3f [0,2,0,0,0,0|2,0,0]=4 7752 B12R0.47 CCOCCC(=O)NCCCSC 7d97a20dcc046ff7c11196f10172e730 [0,2,0,0,0,0|2,0,0]=4 7753 B12R0.47 CCOCCC(=O)NCCSCC 143d8950408b077b51b88a546763575d [0,2,0,0,0,0|2,0,0]=4 7754 B12R0.47 CCOCCNC(=O)CCCC#N 165321a77a9995eabe9e2a7e992a976e [0,2,0,0,0,0|2,0,0]=4 7755 B12R0.47 CCOCCNC(=O)CCCC=O d02d3094471de6e5cf1d1bec8fc9aae1 [0,2,0,0,0,0|2,0,0]=4 7756 B12R0.47 CCOCCNC(=O)CCCCF 942ae8927750639c877efcca29658fdc [0,2,0,0,0,0|2,0,0]=4 7757 B12R0.47 CCOCCNC(=O)CCCCO 279ebc38131b8d9ded00a21fa2a1bd1e [0,2,0,0,0,0|2,0,0]=4 7758 B12R0.47 CCOCCNC(=O)CCCCS 208b709a954e18ffdffb3b02c292aba3 [0,2,0,0,0,0|2,0,0]=4 7759 B12R0.47 CCOCCNC(=O)CCCOC 47eb81594740634d79dfa20026c8abfc [0,2,0,0,0,0|2,0,0]=4 7760 B12R0.47 CCOCCNC(=O)CCCSC a558b63bb51116e10c38170263722671 [0,2,0,0,0,0|2,0,0]=4 7761 B12R0.47 CCOCCNC(=O)CCOCC 95b4cbba92255b65fe657e0f95240dff [0,2,0,0,0,0|2,0,0]=4 7762 B12R0.47 CCOCCNC(=O)CCSCC c03e83e7c11fafba53a5f4e1f11ed4d0 [0,2,0,0,0,0|2,0,0]=4 7763 B12R0.47 CCOCCNC(=O)CCSSC 9976e9739a6d59556f3231c0fe017ef2 [0,2,0,0,0,0|2,0,0]=4 7764 B12R0.47 CCOCCNC(=O)CNCCBr da6b3765cb965dbfcf1b5aadec23facd [0,2,0,0,0,0|2,0,0]=4 7765 B12R0.47 CCOCCNC(=O)CNCCF c7bf305f85cc1999d3f474b377a2508b [0,2,0,0,0,0|2,0,0]=4 7766 B12R0.47 CCOCCNC(=O)CNCCI f58efea901ced414d59961418bcb8f2f [0,2,0,0,0,0|2,0,0]=4 7767 B12R0.47 CCOCCNC(=O)CNCCO f79d9a8fe29d8bf5622f2bb37fe2a660 [0,2,0,0,0,0|2,0,0]=4 7768 B12R0.47 CCOCCNC(=O)CNCCS 89f71113f5669fbd018ea0a1d3e09d0e [0,2,0,0,0,0|2,0,0]=4 7769 B12R0.47 CCOCCNC(=O)COCCF e7f8095a70227460579623b202cfda85 [0,2,0,0,0,0|2,0,0]=4 7770 B12R0.47 CCOCCNC(=O)COCCO 89ecfe68143f58978d9de0b8b84f9e56 [0,2,0,0,0,0|2,0,0]=4 7771 B12R0.47 CCOCCNC(=O)COCCS 2ef0c25584e12432ba58c9c6e1d2d24d [0,2,0,0,0,0|2,0,0]=4 7772 B12R0.47 CCOCCNC(=O)COCOC d005fc368477dcf276f3479d2392bb9b [0,2,0,0,0,0|2,0,0]=4 7773 B12R0.47 CCOCCNC(=O)NCCCN fb7c5c20b6323f546395617158ff71a0 [0,2,0,0,0,0|2,0,0]=4 7774 B12R0.47 CCOCCNC(=O)NCCCO d8d39c374fd0162e76558887f8740379 [0,2,0,0,0,0|2,0,0]=4 7775 B12R0.47 CCOCCNC(=O)NCCOC 1bea08d2499a0c8217b1d921206d4d9a [0,2,0,0,0,0|2,0,0]=4 7776 B12R0.47 CCOCCNC(=O)NCCSC 5e248b1cc23dcab4a40623b310592b68 [0,2,0,0,0,0|2,0,0]=4 7777 B12R0.47 CCOCCOC(=O)CNCC#N f6f8abb5460e0734b8b8eb40f99e5103 [0,2,0,0,0,0|1,0,1]=4 7778 B12R0.47 CCOCCOC(=O)CNCCBr 4de2f12111458464ec2bd4b500ba3960 [0,2,0,0,0,0|1,0,0]=3 7779 B12R0.47 CCOCCOC(=O)CNCCF b1ca95997938e6be2f5b4873f613a023 [0,2,0,0,0,0|1,0,0]=3 7780 B12R0.47 CCOCCOC(=O)CNCCI 05a4d129aeb516845ec24683cefd758b [0,2,0,0,0,0|1,0,0]=3 7781 B12R0.47 CCOCCOC(=O)CNCCO ba2fa857981d68fd777faa3463dc4d43 [0,2,0,0,0,0|1,0,0]=3 7782 B12R0.47 CCOCCOC(=O)CNCCS c6bc828269e3b1cb752424183ba3c344 [0,2,0,0,0,0|1,0,0]=3 7783 B12R0.47 CCOCCOC(=O)COCC#N 1857c8e7a196c9acee8de3b9c7741e3f [0,2,0,0,0,0|1,0,1]=4 7784 B12R0.47 CCOCCOC(=O)COCCF 9cbf9e6037ef96c1437537188d29c49b [0,2,0,0,0,0|1,0,0]=3 7785 B12R0.47 CCOCCOC(=O)COCCS 0accb185e5de5e498838aa25fe3843de [0,2,0,0,0,0|1,0,0]=3 7786 B12R0.47 CCOCCOC(=O)COCOC 213d3d891471aa2831e64aa26e79a978 [0,2,0,0,0,0|1,0,0]=3 7787 B12R0.47 CCSCCC(=O)NCCCCCl 7622eb52e5dcd823bad60a896e68797e [0,2,0,0,0,0|2,0,0]=4 7788 B12R0.47 CCSCCC(=O)NCCCCO 99bf65960c4a88963cf7063c5e1bb8d6 [0,2,0,0,0,0|2,0,0]=4 7789 B12R0.47 CCSCCC(=O)NCCCCS b809ea20bb52b8ad78b13607d35e66c2 [0,2,0,0,0,0|2,0,0]=4 7790 B12R0.47 CCSCCC(=O)NCCCOC a2d083ecc1e9791705fce0baa693e4c6 [0,2,0,0,0,0|2,0,0]=4 7791 B12R0.47 CCSCCC(=O)NCCCSC 67ede9f798510c912b72f6de26c26f02 [0,2,0,0,0,0|2,0,0]=4 7792 B12R0.47 CCSCCNC(=O)CCCC#N a42341e8f626d18764ffb9d6c72c7ae3 [0,2,0,0,0,0|2,0,0]=4 7793 B12R0.47 CCSCCNC(=O)CCCC=O a8101c5578e2b30d2648943c524a360d [0,2,0,0,0,0|2,0,0]=4 7794 B12R0.47 CCSCCNC(=O)CCCCF 32c83c0d6184d12abc73fc4ad1e611e0 [0,2,0,0,0,0|2,0,0]=4 7795 B12R0.47 CCSCCNC(=O)CCCCO 11c6eaae63aa7ed15eda9bf72ab00955 [0,2,0,0,0,0|2,0,0]=4 7796 B12R0.47 CCSCCNC(=O)CCCCS d97a31eae3b472261542fa6523e270bf [0,2,0,0,0,0|2,0,0]=4 7797 B12R0.47 CCSCCNC(=O)CCCOC 25ae2ebddb57413236485c652812c179 [0,2,0,0,0,0|2,0,0]=4 7798 B12R0.47 CCSCCNC(=O)CCCSC 2fdbf4774e7d50ae8af8f22669f53efa [0,2,0,0,0,0|2,0,0]=4 7799 B12R0.47 CCSCCNC(=O)CCSCC 0d7aab15e47319bf4a13f3a06c874ca1 [0,2,0,0,0,0|2,0,0]=4 7800 B12R0.47 CCSCCNC(=O)CCSSC 4c199b9309a016577de585275b210b78 [0,2,0,0,0,0|2,0,0]=4 7801 B12R0.47 CCSCCNC(=O)COCCO df9830f328c99437f1094add19d9c1c0 [0,2,0,0,0,0|2,0,0]=4 7802 B12R0.47 CCSCCNC(=O)COCCS c835610ebd6d0f0493f5a64e3c7a04e5 [0,2,0,0,0,0|2,0,0]=4 7803 B12R0.47 CCSCCNC(=O)NCCCN 71c8e0d82e8c17a62d96b5bf11bf2243 [0,2,0,0,0,0|2,0,0]=4 7804 B12R0.47 CCSCCNC(=O)NCCCO 6b73eb7e07581e66bb3a125822605434 [0,2,0,0,0,0|2,0,0]=4 7805 B12R0.47 CCSCCNC(=O)NCCOC 6be46b9d0401bb16e371dbab56a977de [0,2,0,0,0,0|2,0,0]=4 7806 B12R0.47 CCSCCNC(=O)NCCSC a7e214c8ce7bbb5c96d471f5f8eee3b5 [0,2,0,0,0,0|2,0,0]=4 7807 B12R0.47 COCCCC(=O)NCCCCCl 2812340047a4821ee5a0bf89a01325a0 [0,2,0,0,0,0|2,0,0]=4 7808 B12R0.47 COCCCC(=O)NCCCCO 31534a4ea1620b1237eb047084a0be2f [0,2,0,0,0,0|2,0,0]=4 7809 B12R0.47 COCCCC(=O)NCCCCS c4e83ba19f68cc2de5944dc508181d5b [0,2,0,0,0,0|2,0,0]=4 7810 B12R0.47 COCCCC(=O)NCCCSC 9e517666128423e31a0300cc39be475d [0,2,0,0,0,0|2,0,0]=4 7811 B12R0.47 COCCCNC(=O)CCCC#N 2d9f3710fb0ff4db87e54ed7f4c36baf [0,2,0,0,0,0|2,0,0]=4 7812 B12R0.47 COCCCNC(=O)CCCC=O 72c2c59cc6725eaa7852baedee4cdac4 [0,2,0,0,0,0|2,0,0]=4 7813 B12R0.47 COCCCNC(=O)CCCCF cf6ecc544211453e50895013ba7a24f3 [0,2,0,0,0,0|2,0,0]=4 7814 B12R0.47 COCCCNC(=O)CCCCO a91186f506302bf4bc1ce468a8d829b9 [0,2,0,0,0,0|2,0,0]=4 7815 B12R0.47 COCCCNC(=O)CCCCS e3aacda0d278b2d6a9dd2f1085856a5f [0,2,0,0,0,0|2,0,0]=4 7816 B12R0.47 COCCCNC(=O)CCCOC 456041e4f15be2c6f45a98ccf1177ff3 [0,2,0,0,0,0|2,0,0]=4 7817 B12R0.47 COCCCNC(=O)CCCSC b26bf6ff0136629622f9fe2a08d6b649 [0,2,0,0,0,0|2,0,0]=4 7818 B12R0.47 COCCCNC(=O)CCSSC 28b123ad6c2d283b3f799fa61c330f49 [0,2,0,0,0,0|2,0,0]=4 7819 B12R0.47 COCCCNC(=O)COCCO 65d60fe9de229a386335838bdd823d85 [0,2,0,0,0,0|2,0,0]=4 7820 B12R0.47 COCCCNC(=O)COCCS ef040f6802a642509061680dd951c0da [0,2,0,0,0,0|2,0,0]=4 7821 B12R0.47 COCCCNC(=O)NCCCN 6a9b7f761954499fac14e44aeb10139b [0,2,0,0,0,0|2,0,0]=4 7822 B12R0.47 COCCCNC(=O)NCCCO ce683c850c225c10a3bce75848a550fb [0,2,0,0,0,0|2,0,0]=4 7823 B12R0.47 COCCCNC(=O)NCCOC 45fa2fc53e3ea10f483ef3a6b121304a [0,2,0,0,0,0|2,0,0]=4 7824 B12R0.47 COCCCNC(=O)NCCSC 522a30a6f54fd3dbb6fbf9f9e30fd090 [0,2,0,0,0,0|2,0,0]=4 7825 B12R0.47 COCCNC(=O)CCCCCF 5ba8d48836703643efdf3dc90d017f84 [0,2,0,0,0,0|2,0,0]=4 7826 B12R0.47 COCCNC(=O)CCCCCO 203e307ef494eb9126905f7e2bd0d5da [0,2,0,0,0,0|2,0,0]=4 7827 B12R0.47 COCCNC(=O)CCCCCS e3f51094703d205071942a256b71e66f [0,2,0,0,0,0|2,0,0]=4 7828 B12R0.47 COCCNC(=O)NCCCCN 13aeb0734db584cf1ac5fd6728b8a85d [0,2,0,0,0,0|2,0,0]=4 7829 B12R0.47 COCCNC(=O)NCCCCO 253c6a8d4bb92d84ca1b7a4794179cc2 [0,2,0,0,0,0|2,0,0]=4 7830 B12R0.47 COCCNC(=O)NCCCCS 8a33aa7e1f989ab8a6fc469924df278c [0,2,0,0,0,0|2,0,0]=4 7831 B12R0.47 COCCNC(=O)NCCCSC b1f8133731217b01ad7eba3933f68723 [0,2,0,0,0,0|2,0,0]=4 7832 B12R0.47 CSCCCC(=O)NCCCCCl 4b35a02309973a34ccae95e0dbf6730e [0,2,0,0,0,0|2,0,0]=4 7833 B12R0.47 CSCCCC(=O)NCCCCO a97f056bf5a43d506419371701642639 [0,2,0,0,0,0|2,0,0]=4 7834 B12R0.47 CSCCCC(=O)NCCCCS 8094f21c43bf609ba6fbde1bcbaaaba0 [0,2,0,0,0,0|2,0,0]=4 7835 B12R0.47 CSCCCNC(=O)CCCC#N 2ded284a2916cddfb6bab782190815f1 [0,2,0,0,0,0|2,0,0]=4 7836 B12R0.47 CSCCCNC(=O)CCCC=O 9e6b08c321ef5e46ce40368d49969435 [0,2,0,0,0,0|2,0,0]=4 7837 B12R0.47 CSCCCNC(=O)CCCCF 7fe062f89b2b0b236a3fdacbce4fa19e [0,2,0,0,0,0|2,0,0]=4 7838 B12R0.47 CSCCCNC(=O)CCCCO 714e7b7c139c0d0a1e6dd4e5b237fe99 [0,2,0,0,0,0|2,0,0]=4 7839 B12R0.47 CSCCCNC(=O)CCCCS 43b022be2cb1ef0c68146430a2386cb1 [0,2,0,0,0,0|2,0,0]=4 7840 B12R0.47 CSCCCNC(=O)CCCSC e5f0e6b5ca2523d680c09396a97e9709 [0,2,0,0,0,0|2,0,0]=4 7841 B12R0.47 CSCCCNC(=O)CCSSC a3dc290b7d9abfa4c04fef36fcc91e43 [0,2,0,0,0,0|2,0,0]=4 7842 B12R0.47 CSCCCNC(=O)COCCO 18203c6579507364383d4a4992afefd4 [0,2,0,0,0,0|2,0,0]=4 7843 B12R0.47 CSCCCNC(=O)COCCS f9616c417112cab4c1c4c21b084a4137 [0,2,0,0,0,0|2,0,0]=4 7844 B12R0.47 CSCCCNC(=O)NCCCN 1cc4cf2bdcd9fd73e25d715f298834f9 [0,2,0,0,0,0|2,0,0]=4 7845 B12R0.47 CSCCCNC(=O)NCCCO 4bf0142ed806dd8985108ed0826dfffc [0,2,0,0,0,0|2,0,0]=4 7846 B12R0.47 CSCCCNC(=O)NCCSC f964e432128d9e4201dc5902be73824e [0,2,0,0,0,0|2,0,0]=4 7847 B12R0.47 CSCCNC(=O)CCCCCF f0b5ed40377d7970d4758c97e7ddf887 [0,2,0,0,0,0|2,0,0]=4 7848 B12R0.47 CSCCNC(=O)CCCCCO 8ff79ee576670f9a78470d8da47dc930 [0,2,0,0,0,0|2,0,0]=4 7849 B12R0.47 CSCCNC(=O)CCCCCS 87ab24b279c74b6a306f289d9d1fac5e [0,2,0,0,0,0|2,0,0]=4 7850 B12R0.47 CSCCNC(=O)NCCCCN a574550a3fe7cd9077e1e7510734485e [0,2,0,0,0,0|2,0,0]=4 7851 B12R0.47 CSCCNC(=O)NCCCCO db80dda8794814e1967450e23d21fcb5 [0,2,0,0,0,0|2,0,0]=4 7852 B12R0.47 CSCCNC(=O)NCCCCS 54aeb3ab2604db51b6d2a5c34126180a [0,2,0,0,0,0|2,0,0]=4 7853 B12R0.47 CSSCCC(=O)NCCCCCl b9cdaba59930a94f03a32f28085017b4 [0,2,0,0,0,0|2,0,0]=4 7854 B12R0.47 CSSCCC(=O)NCCCCO aad6a0dfeed1762ce22322293654f239 [0,2,0,0,0,0|2,0,0]=4 7855 B12R0.47 CSSCCC(=O)NCCCCS c92b3798381f2e40eae2a992d8842f94 [0,2,0,0,0,0|2,0,0]=4 7856 B12R0.47 N#CCCCC(=O)NCCCCCl 98cfce9814f3a1ae46140ba4b3deeae8 [0,2,0,0,0,0|2,0,0]=4 7857 B12R0.47 N#CCCCC(=O)NCCCCO 64835a37f5000da9c124cd52392402ee [0,2,0,0,0,0|2,0,0]=4 7858 B12R0.47 N#CCCCC(=O)NCCCCS 1241dcebc5d1556e2ebffbc6f307c2cc [0,2,0,0,0,0|2,0,0]=4 7859 B12R0.47 NCCCCNC(=O)NCCCN c72a2583169272cb7b66e26823101742 [0,2,0,0,0,0|2,0,0]=4 7860 B12R0.47 NCCCCNC(=O)NCCCO 2c1b73fd7440471b0c9f8a2edf5fc13b [0,2,0,0,0,0|2,0,0]=4 7861 B12R0.47 NCCCNC(=O)NCCCCO d02bf775d8c14a1fa5a9b314b03a859c [0,2,0,0,0,0|2,0,0]=4 7862 B12R0.47 NCCCNC(=O)NCCCCS 12593f7530645a413828da34ffd95b97 [0,2,0,0,0,0|2,0,0]=4 7863 B12R0.47 O=C(CCCCCF)NCCCCl 7bc933fe6c42e0ec07ea5ebf788b7403 [0,2,0,0,0,0|2,0,0]=4 7864 B12R0.47 O=C(CCCCCF)NCCCO 21bcd7776dd5a3550806debe124a7671 [0,2,0,0,0,0|2,0,0]=4 7865 B12R0.47 O=C(CCCCCO)NCCCCl 5060431376b9213703cd129faf6dc841 [0,2,0,0,0,0|2,0,0]=4 7866 B12R0.47 O=C(CCCCCO)NCCCO 58fbda4522589346b1696fe1620d2c73 [0,2,0,0,0,0|2,0,0]=4 7867 B12R0.47 O=C(CCCCCS)NCCCCl fb1fb711c429dee83ab9389c6eddcbd6 [0,2,0,0,0,0|2,0,0]=4 7868 B12R0.47 O=C(CCCCCS)NCCCO 042ff2247efcfaf396e4490a80c6c8da [0,2,0,0,0,0|2,0,0]=4 7869 B12R0.47 O=C(CCCCF)NCCCCCl 00f2c46ab87a0f133ef7caedf6f94145 [0,2,0,0,0,0|2,0,0]=4 7870 B12R0.47 O=C(CCCCF)NCCCCO c32fe7089cf09bc614c7bd0cc01b4881 [0,2,0,0,0,0|2,0,0]=4 7871 B12R0.47 O=C(CCCCF)NCCCCS 2b521eb7d4f1eabca16d8585f1650cc6 [0,2,0,0,0,0|2,0,0]=4 7872 B12R0.47 O=C(CCCCO)NCCCCCl 2623ef8679f8feb386e8c0c9a49943ca [0,2,0,0,0,0|2,0,0]=4 7873 B12R0.47 O=C(CCCCO)NCCCCO a585272ad0aee499a666c9e693fb4eae [0,2,0,0,0,0|2,0,0]=4 7874 B12R0.47 O=C(CCCCO)NCCCCS b2071d76bef3f4eb64942b3b1f474f94 [0,2,0,0,0,0|2,0,0]=4 7875 B12R0.47 O=C(CCCCS)NCCCCCl 72d350174439732b16f9922bddb41375 [0,2,0,0,0,0|2,0,0]=4 7876 B12R0.47 O=C(CCCCS)NCCCCO 040cd317dc15cc1b75aa40bc956cda5e [0,2,0,0,0,0|2,0,0]=4 7877 B12R0.47 O=C(CCCCS)NCCCCS d25d1de634fdc838c8a574721d6680ae [0,2,0,0,0,0|2,0,0]=4 7878 B12R0.47 O=C(COCCO)NCCCCCl df67d0be4ea32e754f802fc28b6d5e3d [0,2,0,0,0,0|2,0,0]=4 7879 B12R0.47 O=C(COCCO)NCCCCO 7038715475f899dcdd10ec4033504e74 [0,2,0,0,0,0|2,0,0]=4 7880 B12R0.47 O=C(COCCO)NCCCCS 16e828fc769a3e5f2fd6bae7ef3bdaf1 [0,2,0,0,0,0|2,0,0]=4 7881 B12R0.47 O=C(COCCS)NCCCCCl cd37abbb1fdd303d01ee895765c6adb3 [0,2,0,0,0,0|2,0,0]=4 7882 B12R0.47 O=C(COCCS)NCCCCO 8d488bc48240b45fabb87b8d81b13b7e [0,2,0,0,0,0|2,0,0]=4 7883 B12R0.47 O=C(COCCS)NCCCCS 0a93f96d1607e88def28efdb792c61a0 [0,2,0,0,0,0|2,0,0]=4 7884 B12R0.47 O=C(NCCCO)NCCCCO a311830fcb7bb320da834cbf139d35e2 [0,2,0,0,0,0|2,0,0]=4 7885 B12R0.47 O=C(NCCCO)NCCCCS 5ffb2c99c918ea0cd79aa98e6a980851 [0,2,0,0,0,0|2,0,0]=4 7886 B12R0.47 O=CCCCC(=O)NCCCCCl 6fa08fd8a805319105f838bbfdcd787a [0,2,0,0,0,0|2,0,0]=4 7887 B12R0.47 O=CCCCC(=O)NCCCCO 777c2cf5e5982d64777fef6be3827c71 [0,2,0,0,0,0|2,0,0]=4 7888 B12R0.47 O=CCCCC(=O)NCCCCS 125cac02876a537ec3b85071abe9cd37 [0,2,0,0,0,0|2,0,0]=4 7889 B12R0.95 C#CCCC(=O)NCCCC(C)C a54390a3afb106dd81c63d3269bdbb30 [0,2,0,0,0,0|1,0,1]=4 7890 B12R0.95 C/C=C/CC(=O)NCCCC(C)C 432695d4528b415d8fab52d720c7325a [0,2,0,0,0,0|1,0,1]=4 7891 B12R0.95 C=C(C)CNCOC(=O)CCCC 415cda3b3e26c7cc69b781ce5d4507c5 [0,2,0,0,0,0|1,0,1]=4 7892 B12R0.95 C=C(C)CNCOC(=O)OCCC 921a4a660c5c7dce5e9fe052be480cd8 [0,2,0,0,0,0|1,0,1]=4 7893 B12R0.95 C=C(C)COCOC(=O)CCCC fb1a9bf240c0417ca05159952c7bdae9 [0,2,0,0,0,0|1,0,1]=4 7894 B12R0.95 C=C(C)COCOC(=O)OCCC f5f7d23f64d3572328ba0fcb045a706a [0,2,0,0,0,0|1,0,1]=4 7895 B12R0.95 C=CCCC(=O)NCCCC(C)C 689b81b32b8f7d420ec3402d0dca2b62 [0,2,0,0,0,0|1,0,1]=4 7896 B12R0.95 CC#CCC(=O)NCCCC(C)C 5e149aab48b098fbd889fa60ae0e141a [0,2,0,0,0,0|1,0,1]=4 7897 B12R0.95 CC(C)CCCCC(=O)NCCBr f8bf5c4aee30e18c138849a9589130ad [0,2,0,0,0,0|2,0,0]=4 7898 B12R0.95 CC(C)CCCCC(=O)NCCF cbf249a019f3ddd6cdcf4dfb91b8da64 [0,2,0,0,0,0|2,0,0]=4 7899 B12R0.95 CC(C)CCCCC(=O)NCCI f05299986aa6cdf24bda00b2655c1c52 [0,2,0,0,0,0|2,0,0]=4 7900 B12R0.95 CC(C)CCCCC(=O)NCCO 9a5c8e6c15524d7fb8fe5c88b77eb99e [0,2,0,0,0,0|2,0,0]=4 7901 B12R0.95 CC(C)CCCCC(=O)NCCS 32a75eb9b58b17b0ed886e34a88807e5 [0,2,0,0,0,0|2,0,0]=4 7902 B12R0.95 CC(C)CCCNC(=O)CCC#N eef7566b87e59413f03b73eb2ff9c4fa [0,2,0,0,0,0|1,0,1]=4 7903 B12R0.95 CC(C)CCCNC(=O)CCC=O 701cafe88ed505879e33b436909ef129 [0,2,0,0,0,0|1,0,1]=4 7904 B12R0.95 CC(C)CCCNC(=O)CCCF b1cc9b254e3f963b95e8a832d6cf1b7c [0,2,0,0,0,0|1,0,0]=3 7905 B12R0.95 CC(C)CCCNC(=O)CCCS f6da542094d1e1704ea418dccf825300 [0,2,0,0,0,0|1,0,0]=3 7906 B12R0.95 CC(C)CCCNC(=O)NCCF 827158e51c8db7ddcf73e112b36c24d5 [0,2,0,0,0,0|2,0,0]=4 7907 B12R0.95 CC(C)CCCNC(=O)NCCN 8bde9a8ed2044939c532a98ac5718fad [0,2,0,0,0,0|2,0,0]=4 7908 B12R0.95 CC(C)CCCNC(=O)NCCO 2c5c203a1bff98ad3d13063ae2021149 [0,2,0,0,0,0|2,0,0]=4 7909 B12R0.95 CC(C)CCCNC(=O)NCCS e0329481866afea0142ce88fd980861d [0,2,0,0,0,0|2,0,0]=4 7910 B12R0.95 CC(C)OCCNC(=O)CCCF c8df9ca8eb27ad6f3b1006501a299376 [0,2,0,0,0,0|2,0,0]=4 7911 B12R0.95 CC(C)OCCNC(=O)CCCS 645e49c12a1c76c4977771f736ba9c59 [0,2,0,0,0,0|2,0,0]=4 7912 B12R0.95 CC/C=C/C(=O)NCCCC(C)C 3ebe3c580f0665574c2dd500d3cb2bfa [0,2,0,0,0,0|1,0,1]=4 7913 B12R0.95 CC/C=C\C(=O)NCCCC(C)C 8f91eb5b5c26d03d9c94b91d7b1ae27f [0,2,0,0,0,0|1,0,1]=4 7914 B12R0.95 CCC#CC(=O)NCCCC(C)C 04e030695e2ce6d0350e8b1bddea49b9 [0,2,0,0,0,0|1,0,1]=4 7915 B12R0.95 CCC=CC(=O)NCCCC(C)C 8005c5a41188fb3f84b12403b1093cf0 [0,2,0,0,0,0|1,0,1]=4 7916 B12R0.95 CCCCC(=O)NCCCC(C)C 4cfbd8cd4787b68f67725c2f6395b859 [0,2,0,0,0,0|1,0,0]=3 7917 B12R0.95 CCCCC(=O)NCCCN(C)C c9aac6fc3f3134bdb9f9101491a3ee41 [0,2,0,0,0,0|2,0,0]=4 7918 B12R0.95 CCCCC(=O)NCCCS(=O)C f634605a58baa86b20003ff0071b7212 [0,2,0,0,0,0|2,0,0]=4 7919 B12R0.95 CCCCC(=O)NCCOC(C)C 6fdc7d7ca2aabe1a6cdd81d4c3e9f3e6 [0,2,0,0,0,0|2,0,0]=4 7920 B12R0.95 CCCCC(=O)OCNCC(=O)C cac5cc43bee8bcbb528738f26d00aba6 [0,2,0,0,0,0|1,0,1]=4 7921 B12R0.95 CCCCC(=O)OCNCC(C)C 398b5c2dd73854504a11d47800dfa85c [0,2,0,0,0,0|1,0,0]=3 7922 B12R0.95 CCCCC(=O)OCNCC(C)O 44153623ecf39cc3939ac933198b5245 [0,2,0,0,0,0|1,0,0]=3 7923 B12R0.95 CCCCC(=O)OCNCC(F)F 5f3a7eb8967735c6cb883f3c0c962364 [0,2,0,0,0,0|2,0,0]=4 7924 B12R0.95 CCCCC(=O)OCNC[C@@H](C)O 154d85b5e31ba6f85d6cd62d8271e631 [0,2,0,0,0,0|1,0,0]=3 7925 B12R0.95 CCCCC(=O)OCNC[C@H](C)O e3492d206ed25d7c1e0ea2b05bf1e2bd [0,2,0,0,0,0|1,0,0]=3 7926 B12R0.95 CCCCC(=O)OCOCC(=O)C b946cb4e564cb1d85364c86401444267 [0,2,0,0,0,0|1,0,1]=4 7927 B12R0.95 CCCCC(=O)OCOCC(C)C d415ef9bdea7f5aca14fd71c6f1d7e8e [0,2,0,0,0,0|1,0,0]=3 7928 B12R0.95 CCCCC(=O)OCOCC(C)F 40d933d076752a93a273432d476a671f [0,2,0,0,0,0|1,0,0]=3 7929 B12R0.95 CCCCC(=O)OCOCC(C)S cc9e25e72674342f1ff946950434f5e5 [0,2,0,0,0,0|1,0,0]=3 7930 B12R0.95 CCCCC(=O)OCOCC(F)F e75e93ff07ace0a3f2dd0fc1340a538f [0,2,0,0,0,0|2,0,0]=4 7931 B12R0.95 CCCCC(=O)OCOC[C@@H](C)F a391fe0f327a4a5711323c423e71c560 [0,2,0,0,0,0|1,0,0]=3 7932 B12R0.95 CCCCC(=O)OCOC[C@H](C)F da7ea854b57a8ef4e443cccb85659192 [0,2,0,0,0,0|1,0,0]=3 7933 B12R0.95 CCCCC(C)OCCCC(C)C 6eb82a262fc3c9f93db19d4d8511d1fb [0,2,0,0,0,0|1,0,1]=4 7934 B12R0.95 CCCC[C@@H](C)OCCCC(C)C 19fb73957c0527d6e0e0c50e5ddba220 [0,2,0,0,0,0|1,0,1]=4 7935 B12R0.95 CCCC[C@H](C)OCCCC(C)C 8ca55e3b1a997d66401f601e823ac590 [0,2,0,0,0,0|1,0,1]=4 7936 B12R0.95 CCCNC(=O)CCCCC(=O)C 63bbf587efef0fe76ac27cee2a045295 [0,2,0,0,0,0|1,0,1]=4 7937 B12R0.95 CCCNC(=O)CCCCC(C)C df71677e2f93f09f4955ba2e6046b4ae [0,2,0,0,0,0|1,0,0]=3 7938 B12R0.95 CCCNC(=O)CCCCC(F)F 92a63354bd517711f45501b0f89e57dc [0,2,0,0,0,0|2,0,0]=4 7939 B12R0.95 CCCNC(=O)CCCCN(C)C 48164338f3f788a9e9adefe4f0b203ff [0,2,0,0,0,0|2,0,0]=4 7940 B12R0.95 CCCNC(=O)CCCOC(C)C 6619ef7fa7ad414c01db075aa0bcbeae [0,2,0,0,0,0|2,0,0]=4 7941 B12R0.95 CCCNC(=O)CCCSC(C)C 33f210d0bf587bc303a0e7e3713bd406 [0,2,0,0,0,0|2,0,0]=4 7942 B12R0.95 CCCNC(=O)CNCCC(C)C bcc3a0e80af9747011f089d13b7b27f1 [0,2,0,0,0,0|2,0,0]=4 7943 B12R0.95 CCCNC(=O)CNCCC(C)O 7b52e17ee86d5a2c7b090ba4c1b70491 [0,2,0,0,0,0|2,0,0]=4 7944 B12R0.95 CCCNC(=O)CNCC[C@@H](C)O 6b1c7f1e8c60a4e619e4fea5e48331ae [0,2,0,0,0,0|2,0,0]=4 7945 B12R0.95 CCCNC(=O)CNCC[C@H](C)O 3f22f1a13aa7a440aef7f4569b2e26c0 [0,2,0,0,0,0|2,0,0]=4 7946 B12R0.95 CCCNC(=O)COCCC(C)C 0106111ffd98343174db62b7bd4737c2 [0,2,0,0,0,0|2,0,0]=4 7947 B12R0.95 CCCNC(=O)NCCCC(C)C 5ff58622df6f6304e760f5ebf6f1c6e7 [0,2,0,0,0,0|1,0,0]=3 7948 B12R0.95 CCCNC(=O)NCCCN(C)C ad782b311d2c09eb0cdd8ca62ce15b52 [0,2,0,0,0,0|2,0,0]=4 7949 B12R0.95 CCCNC(=O)NCCCS(=O)C 5a28dcaacd87e036a386131fc03c26a1 [0,2,0,0,0,0|2,0,0]=4 7950 B12R0.95 CCCNC(=O)NCCOC(C)C 44ee4d686aba83ef294389f4fc8b329d [0,2,0,0,0,0|2,0,0]=4 7951 B12R0.95 CCCNC(=S)NCCCC(C)C 1d5e85810e10e7acdd60107309599612 [0,2,0,0,0,0|1,1,0]=4 7952 B12R0.95 CCCOC(=O)CCOCC(C)C 325bd84036096b35d689a2aeacebb45a [0,2,0,0,0,0|2,0,0]=4 7953 B12R0.95 CCCOC(=O)CNCCC(C)C 74b2549c7197ab3eb9a019d32e1efe79 [0,2,0,0,0,0|2,0,0]=4 7954 B12R0.95 CCCOC(=O)CNCCC(C)O c366f7c3e376a8b7e4758f4cbb892ff7 [0,2,0,0,0,0|2,0,0]=4 7955 B12R0.95 CCCOC(=O)CNCC[C@@H](C)O a9bcf3a7044bef31157516e087e5742d [0,2,0,0,0,0|2,0,0]=4 7956 B12R0.95 CCCOC(=O)CNCC[C@H](C)O 720e7d2cac2a4b47d1e391b4ee911556 [0,2,0,0,0,0|2,0,0]=4 7957 B12R0.95 CCCOC(=O)COCCC(C)C 704338dc796d61c02b256ccaf9246466 [0,2,0,0,0,0|2,0,0]=4 7958 B12R0.95 CCCOC(=O)OCNCC(=O)C 5f7f5e4112b9ec96621d303097daf913 [0,2,0,0,0,0|1,0,1]=4 7959 B12R0.95 CCCOC(=O)OCNCC(C)C 8d599ea8b6caaf060699dcf00967f7a2 [0,2,0,0,0,0|1,0,0]=3 7960 B12R0.95 CCCOC(=O)OCNCC(C)O e4bc2fc2ac6b2503af04e76bfafac06e [0,2,0,0,0,0|1,0,0]=3 7961 B12R0.95 CCCOC(=O)OCNCC(F)F 4c81803f650d6fdb8a617b6ffb404967 [0,2,0,0,0,0|2,0,0]=4 7962 B12R0.95 CCCOC(=O)OCNC[C@@H](C)O 90b5184da8659c866ac6c109eec45287 [0,2,0,0,0,0|1,0,0]=3 7963 B12R0.95 CCCOC(=O)OCNC[C@H](C)O 37966f1752165176ba6af5cbea0ef508 [0,2,0,0,0,0|1,0,0]=3 7964 B12R0.95 CCCOC(=O)OCOCC(=O)C 870b62ee833da611d1cf12ab4d6112a9 [0,2,0,0,0,0|1,0,1]=4 7965 B12R0.95 CCCOC(=O)OCOCC(C)C 58f5c456bfe26d581a8fcd3b6568ec0c [0,2,0,0,0,0|1,0,0]=3 7966 B12R0.95 CCCOC(=O)OCOCC(C)F f5da25d3dd07a459db094fef5b336307 [0,2,0,0,0,0|1,0,0]=3 7967 B12R0.95 CCCOC(=O)OCOCC(C)S be45b1edc190f03b77fff069ccd6cd3a [0,2,0,0,0,0|1,0,0]=3 7968 B12R0.95 CCCOC(=O)OCOCC(F)F f075d23f305f7ab8102759c3be16edda [0,2,0,0,0,0|2,0,0]=4 7969 B12R0.95 CCCOC(=O)OCOC[C@@H](C)F 6f8ef3305bd8903aba91036b57d220b0 [0,2,0,0,0,0|1,0,0]=3 7970 B12R0.95 CCCOC(=O)OCOC[C@H](C)F 57df96ac24d4f8bd9147a6c22f3c8334 [0,2,0,0,0,0|1,0,0]=3 7971 B12R0.95 CCOCC(=O)NCCCC(C)C 328089ac347b1bd5125ac943dccc78a3 [0,2,0,0,0,0|1,0,0]=3 7972 B12R0.95 CCOCC(=O)NCCCN(C)C ea14ff27c262bb99f7235730e267d55a [0,2,0,0,0,0|2,0,0]=4 7973 B12R0.95 CCOCC(=O)NCCCS(=O)C 411adbaaf955b0bcd97f2085983ae77e [0,2,0,0,0,0|2,0,0]=4 7974 B12R0.95 CCOCC(=O)NCCOC(C)C 789da822b68dd064ba6b55276660bcee [0,2,0,0,0,0|2,0,0]=4 7975 B12R0.95 CCOCC(C)OCCCC(C)C 425f8f5eb9159a7af129b3ff253aa33d [0,2,0,0,0,0|1,0,1]=4 7976 B12R0.95 CCSCC(=O)NCCCC(C)C 8997e9db122ddb08389490255ae88ac2 [0,2,0,0,0,0|1,0,0]=3 7977 B12R0.95 CCSCC(=O)NCCCN(C)C 94c714084a53d8b9276a36a77de4a9c3 [0,2,0,0,0,0|2,0,0]=4 7978 B12R0.95 CCSCC(=O)NCCCS(=O)C 090395d826474b7240b38890288f0958 [0,2,0,0,0,0|2,0,0]=4 7979 B12R0.95 CCSCC(=O)NCCOC(C)C c06d355e6e451c9108068b8d98fa07d8 [0,2,0,0,0,0|2,0,0]=4 7980 B12R0.95 CN(C)CCCNC(=O)CCCF f5b0e033a80014c1233a4c11cbfacb34 [0,2,0,0,0,0|2,0,0]=4 7981 B12R0.95 CN(C)CCCNC(=O)CCCS 5b25a7a6946c248750fffcb2e21cbfdb [0,2,0,0,0,0|2,0,0]=4 7982 B12R0.95 COCCC(=O)NCCCC(C)C 44c3bb2306e35aae764faa470f8d793e [0,2,0,0,0,0|1,0,0]=3 7983 B12R0.95 COCCC(=O)NCCCN(C)C 62270e0d495f3b691076bff91e7c2bfd [0,2,0,0,0,0|2,0,0]=4 7984 B12R0.95 COCCC(=O)NCCCS(=O)C a721eacc0a9b35c238a2a7d924c72cb5 [0,2,0,0,0,0|2,0,0]=4 7985 B12R0.95 COCCC(=O)NCCOC(C)C 39395696b1ed9462064480b5559da363 [0,2,0,0,0,0|2,0,0]=4 7986 B12R0.95 COCCC(C)OCCCC(C)C 0520e9be3c1f3ebc5126e872453d63ab [0,2,0,0,0,0|1,0,1]=4 7987 B12R0.95 CS(=O)CCCNC(=O)CCCF 91b07f1d50b0cf693ce33cc58e78ff79 [0,2,0,0,0,0|2,0,0]=4 7988 B12R0.95 CS(=O)CCCNC(=O)CCCS 4130790be48c345ae3d714230d30e19b [0,2,0,0,0,0|2,0,0]=4 7989 B12R0.95 CSCCC(=O)CNCCC(C)C 33b7e66c24185d101d2d4384ec8aab3e [0,2,0,0,0,0|2,0,0]=4 7990 B12R0.95 CSCCC(=O)CNCCC(C)O d724ab708646770f61c82f1808fff2c7 [0,2,0,0,0,0|2,0,0]=4 7991 B12R0.95 CSCCC(=O)CNCC[C@@H](C)O 534ba15a1ac9507ae5c81ac270c767ca [0,2,0,0,0,0|2,0,0]=4 7992 B12R0.95 CSCCC(=O)CNCC[C@H](C)O 92750f6f24508a0b910919aa15228561 [0,2,0,0,0,0|2,0,0]=4 7993 B12R0.95 CSCCC(=O)COCCC(C)C dc1b1a3c2c3e37b0f082196ae87fd8ea [0,2,0,0,0,0|2,0,0]=4 7994 B12R0.95 CSCCC(=O)NCCCC(C)C fe065b4e3051b1be70442927276cd6e9 [0,2,0,0,0,0|1,0,0]=3 7995 B12R0.95 CSCCC(=O)NCCCN(C)C 03c95eac0cd9af5046b9fe1d7d536374 [0,2,0,0,0,0|2,0,0]=4 7996 B12R0.95 CSCCC(=O)NCCCS(=O)C 1be31caa8918832c6f8035ffb85cd3c1 [0,2,0,0,0,0|2,0,0]=4 7997 B12R0.95 CSCCC(=O)NCCOC(C)C 3137f3210891a4e7e49d602c3b921e73 [0,2,0,0,0,0|2,0,0]=4 7998 B12R0.95 CSCCC(C)OCCCC(C)C 7e55d32832fd215d3847550c131aad87 [0,2,0,0,0,0|1,0,1]=4 7999 B12R0.95 CSSCC(=O)NCCCC(C)C ce2c206ac8cf425c1a39f2a66faa5149 [0,2,0,0,0,0|2,0,0]=4 8000 B12R0.102 C#CCCC(=O)NCCC(C)CC 425b1576e785f599070689df7fd16692 [0,2,0,0,0,0|1,0,1]=4 8001 B12R0.102 C/C=C/CC(=O)NCCC(C)CC 9b8b143b1969ac92aa2847eac4dcce3a [0,2,0,0,0,0|1,0,1]=4 8002 B12R0.102 C=CCCC(=O)NCCC(C)CC 6eada0756c2663cfacb47b5f3bc0af6c [0,2,0,0,0,0|1,0,1]=4 8003 B12R0.102 CC#CCC(=O)NCCC(C)CC 5b26d916e3508017b6b08a1a90f0cd03 [0,2,0,0,0,0|1,0,1]=4 8004 B12R0.102 CC(CO)CCNC(=O)CCCF 484fa11ef887279770b8bc3d08c9cbb1 [0,2,0,0,0,0|2,0,0]=4 8005 B12R0.102 CC(CO)CCNC(=O)CCCS 6f1b814570cdb2d2262d6ad7e13f928a [0,2,0,0,0,0|2,0,0]=4 8006 B12R0.102 CC/C=C/C(=O)NCCC(C)CC 9cb74c9c55c4b0038cb442a0db896f54 [0,2,0,0,0,0|1,0,1]=4 8007 B12R0.102 CC/C=C\C(=O)NCCC(C)CC 2a2bdb41d5016490d51c55527e451f75 [0,2,0,0,0,0|1,0,1]=4 8008 B12R0.102 CCC#CC(=O)NCCC(C)CC 828cb2accd13887f594e49ad452eded9 [0,2,0,0,0,0|1,0,1]=4 8009 B12R0.102 CCC(C)CCCC(=O)NCCBr 095a1cff7185270e0838885293e7d521 [0,2,0,0,0,0|2,0,0]=4 8010 B12R0.102 CCC(C)CCCC(=O)NCCF 47846ade57715c14591e16ac69af9dea [0,2,0,0,0,0|2,0,0]=4 8011 B12R0.102 CCC(C)CCCC(=O)NCCI dd3ab5b3f64526ff1f14989c08f7b55c [0,2,0,0,0,0|2,0,0]=4 8012 B12R0.102 CCC(C)CCCC(=O)NCCO 0b4f42a8a2cf5341f8036296e8ebc3cd [0,2,0,0,0,0|2,0,0]=4 8013 B12R0.102 CCC(C)CCCC(=O)NCCS 0a52fff91e0587ad6f9074c05b667950 [0,2,0,0,0,0|2,0,0]=4 8014 B12R0.102 CCC(C)CCNC(=O)CCC#N 8be1ea2858a60bd0e83fd1e0ec2d3739 [0,2,0,0,0,0|1,0,1]=4 8015 B12R0.102 CCC(C)CCNC(=O)CCC=O f4605a8137dd858875c65df9749a1746 [0,2,0,0,0,0|1,0,1]=4 8016 B12R0.102 CCC(C)CCNC(=O)CCCF 9a17f1f931f2104e39a8e613c133be64 [0,2,0,0,0,0|1,0,0]=3 8017 B12R0.102 CCC(C)CCNC(=O)CCCS 40dff8918d538d24ee069214a3af73d7 [0,2,0,0,0,0|1,0,0]=3 8018 B12R0.102 CCC(C)CCNC(=O)CCOC a44de6d4a8d32122a33bd453bf85ae19 [0,2,0,0,0,0|1,0,0]=3 8019 B12R0.102 CCC(C)CCNC(=O)CCSC 6edf7b18823512935d0930adcefee25d [0,2,0,0,0,0|1,0,0]=3 8020 B12R0.102 CCC(C)CCNC(=O)CSSC 3d812d8b27b15e9f92cb2b98a5009aa2 [0,2,0,0,0,0|2,0,0]=4 8021 B12R0.102 CCC(C)CCNC(=O)NCCF 8aab774176ff6245eb29af8093fc1448 [0,2,0,0,0,0|2,0,0]=4 8022 B12R0.102 CCC(C)CCNC(=O)NCCN 1ddaca81f4e614145fd0938cd377fbdc [0,2,0,0,0,0|2,0,0]=4 8023 B12R0.102 CCC(C)CCNC(=O)NCCO d13fe0789c0f96794244e0f6472d5c3e [0,2,0,0,0,0|2,0,0]=4 8024 B12R0.102 CCC(C)CCNC(=O)NCCS 49db7a35e5f28ba15f2bda451fae571e [0,2,0,0,0,0|2,0,0]=4 8025 B12R0.102 CCC(C)CCOC(C)CCOC ebd0726a24bd08e68307ced1d14f18f0 [0,2,0,0,0,0|1,0,1]=4 8026 B12R0.102 CCC(C)CCOC(C)CCSC 57daf5f1fe1f4954aef11a2c95b1ee31 [0,2,0,0,0,0|1,0,1]=4 8027 B12R0.102 CCC(C)CNCC(=O)CCSC aba84d3b33646c7d8408dff8248c608b [0,2,0,0,0,0|2,0,0]=4 8028 B12R0.102 CCC(C)COCC(=O)CCSC 5a3ce4035bca6de49f2e8d3c04b098f5 [0,2,0,0,0,0|2,0,0]=4 8029 B12R0.102 CCC(O)CNCC(=O)CCSC c3d14cce469886d435340c614e6b9a73 [0,2,0,0,0,0|2,0,0]=4 8030 B12R0.102 CCC=CC(=O)NCCC(C)CC 5ec3d8c8a2a52df802f6dcbf8e865c54 [0,2,0,0,0,0|1,0,1]=4 8031 B12R0.102 CCCCC(=O)NCCC(C)CC 4f52569bb623d7f775801ee22b5dd215 [0,2,0,0,0,0|1,0,0]=3 8032 B12R0.102 CCCCC(=O)NCCC(C)CO 5e2035af1b9cf5b3ad3e9bb748d9d252 [0,2,0,0,0,0|2,0,0]=4 8033 B12R0.102 CCCCC(=O)NCCC(O)CO 24690e6bb904f590614a7a8240da0ced [0,2,0,0,0,0|2,0,0]=4 8034 B12R0.102 CCCCC(=O)NCC[C@@H](C)CO d3bcb3d3997876d0eaa24754af811d20 [0,2,0,0,0,0|2,0,0]=4 8035 B12R0.102 CCCCC(=O)OCNC(C)CO df4181a8205fbed91e8ba492e8778d11 [0,2,0,0,0,0|2,0,0]=4 8036 B12R0.102 CCCCC(=O)OCN[C@@H](C)CO 021910a6ce9670f8089c92ee2a0208dc [0,2,0,0,0,0|2,0,0]=4 8037 B12R0.102 CCCCC(=O)OCN[C@H](C)CO f47320c8d63a9d6a2f6345ac8e7fe79e [0,2,0,0,0,0|2,0,0]=4 8038 B12R0.102 CCCCC(=O)OCOC(C)CC 0457cc5379377c62c69654ef906d7882 [0,2,0,0,0,0|1,0,0]=3 8039 B12R0.102 CCCCC(=O)OCOC(C)CF b9d3c5352679d53a49947383a070e018 [0,2,0,0,0,0|2,0,0]=4 8040 B12R0.102 CCCCC(=O)OCO[C@@H](C)CC 941a8a6f02825443379a92f0d33b4e68 [0,2,0,0,0,0|1,0,0]=3 8041 B12R0.102 CCCCC(=O)OCO[C@H](C)CC fa459134ab25a7d5a1e347714e81ffec [0,2,0,0,0,0|1,0,0]=3 8042 B12R0.102 CCCCC(C)OCCC(C)CC a61d0a1377f7e4c233edb9e02e4f8572 [0,2,0,0,0,0|1,0,1]=4 8043 B12R0.102 CCCCC(C)OCCC(S)CC 499fe56e3a856858cdcd9c1402080444 [0,2,0,0,0,0|1,0,1]=4 8044 B12R0.102 CCCCC(C)OCC[C@@H](C)CC a3e95d6edccd3f5dbc29e29abf7d8aee [0,2,0,0,0,0|1,0,1]=4 8045 B12R0.102 CCCC[C@@H](C)OCCC(C)CC b26e718bcd971548d977b1cb4f5a9638 [0,2,0,0,0,0|1,0,1]=4 8046 B12R0.102 CCCC[C@H](C)OCCC(C)CC 470f663349389678df0157bed5df6136 [0,2,0,0,0,0|1,0,1]=4 8047 B12R0.102 CCCNC(=O)CCCC(=O)CC 1961ac9f040acfc591cd5015cf471778 [0,2,0,0,0,0|1,0,1]=4 8048 B12R0.102 CCCNC(=O)CCCC(C)CC 5f07022bdfedacfc51c3a7f7a1097226 [0,2,0,0,0,0|1,0,0]=3 8049 B12R0.102 CCCNC(=O)CCCC(O)CO 114599b45222067e007a1434bf966552 [0,2,0,0,0,0|2,0,0]=4 8050 B12R0.102 CCCNC(=O)CCCN(C)CC 499e2d2c74349cfae6461b3c3be04711 [0,2,0,0,0,0|2,0,0]=4 8051 B12R0.102 CCCNC(=O)CNCC(C)CC c7d050cefd9773b43d811e9fe45bc962 [0,2,0,0,0,0|2,0,0]=4 8052 B12R0.102 CCCNC(=O)CNCC(O)CC 5013a969c04d211ffedc44566b8e9542 [0,2,0,0,0,0|2,0,0]=4 8053 B12R0.102 CCCNC(=O)CNC[C@@H](C)CC 743f3429fe5160d519918a358a1ab12a [0,2,0,0,0,0|2,0,0]=4 8054 B12R0.102 CCCNC(=O)CNC[C@H](C)CC 0987f0241775c56d413ef3d311cdd088 [0,2,0,0,0,0|2,0,0]=4 8055 B12R0.102 CCCNC(=O)CNC[C@H](O)CC ecd252d9e743c19529340831cf8f65fa [0,2,0,0,0,0|2,0,0]=4 8056 B12R0.102 CCCNC(=O)COCC(C)CC 2a1e9bdd100448a42cf961013e371f63 [0,2,0,0,0,0|2,0,0]=4 8057 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 746a0ccbc80b2f03cea15e7437a2ab65 [0,2,0,0,0,0|2,0,0]=4 8058 B12R0.102 CCCNC(=O)COC[C@H](C)CC ed60da0041bc873bcc24c6ff59958c62 [0,2,0,0,0,0|2,0,0]=4 8059 B12R0.102 CCCNC(=O)NCCC(C)CC b35acf027356ff7995ff8b1d372ec683 [0,2,0,0,0,0|1,0,0]=3 8060 B12R0.102 CCCNC(=O)NCCC(C)CO 14dadc5359e5a798f7e66c9eef32ab6d [0,2,0,0,0,0|2,0,0]=4 8061 B12R0.102 CCCNC(=O)NCCC(O)CO 251fe261339115adbc199f24f026434c [0,2,0,0,0,0|2,0,0]=4 8062 B12R0.102 CCCNC(=O)NCC[C@@H](C)CO 5135aea1aebbc236175bff804d4a893e [0,2,0,0,0,0|2,0,0]=4 8063 B12R0.102 CCCNC(=S)NCCC(C)CC 2489fac057f261725238d765e4e0f508 [0,2,0,0,0,0|1,1,0]=4 8064 B12R0.102 CCCOC(=O)CCOC(C)CC 19e0038b42890ca21ea46c8192401969 [0,2,0,0,0,0|2,0,0]=4 8065 B12R0.102 CCCOC(=O)CNCC(C)CC 1132b7f89ad758024981f29495d4d279 [0,2,0,0,0,0|2,0,0]=4 8066 B12R0.102 CCCOC(=O)CNCC(O)CC 20d518a90b8ef2ce518441cf22669142 [0,2,0,0,0,0|2,0,0]=4 8067 B12R0.102 CCCOC(=O)CNC[C@@H](C)CC 96a55438ede02281d7b7e05fcf0b8b2e [0,2,0,0,0,0|2,0,0]=4 8068 B12R0.102 CCCOC(=O)CNC[C@H](O)CC 379004329bd17066496d6a36f2d4ca0f [0,2,0,0,0,0|2,0,0]=4 8069 B12R0.102 CCCOC(=O)COCC(C)CC 627027b241f3196bd7925a25b615e010 [0,2,0,0,0,0|2,0,0]=4 8070 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 58c93d1c7873f31ad88efb43266d594b [0,2,0,0,0,0|2,0,0]=4 8071 B12R0.102 CCCOC(=O)COC[C@H](C)CC e36ca0e50b404bc3448d25ae6bb9dc7e [0,2,0,0,0,0|2,0,0]=4 8072 B12R0.102 CCCOC(=O)OCNC(C)CC 4183f2f365a416b889b1574932ad9c2c [0,2,0,0,0,0|1,0,0]=3 8073 B12R0.102 CCCOC(=O)OCNC(C)CO bd3c641981777d60b0689e5fd535ff4d [0,2,0,0,0,0|2,0,0]=4 8074 B12R0.102 CCCOC(=O)OCN[C@@H](C)CC 1a35b2cf6c652fb0c72e456b117fb72a [0,2,0,0,0,0|1,0,0]=3 8075 B12R0.102 CCCOC(=O)OCN[C@@H](C)CO a71c7e7f7f1b1e2d3b388e1d524190a9 [0,2,0,0,0,0|2,0,0]=4 8076 B12R0.102 CCCOC(=O)OCN[C@H](C)CC f178b81e79b7fc175a19e64247140878 [0,2,0,0,0,0|1,0,0]=3 8077 B12R0.102 CCCOC(=O)OCN[C@H](C)CO 1f334dc9a9a200186ab7f2631f0d3ece [0,2,0,0,0,0|2,0,0]=4 8078 B12R0.102 CCOCC(=O)NCCC(C)CC dcfe821ec39561aa68ead1e2b701b71f [0,2,0,0,0,0|1,0,0]=3 8079 B12R0.102 CCOCC(=O)NCCC(C)CO 71c1cb302f6ff143131e179721e8bf60 [0,2,0,0,0,0|2,0,0]=4 8080 B12R0.102 CCOCC(=O)NCCC(O)CO 9b0f7027c8abbbae06a7ed8857e281fe [0,2,0,0,0,0|2,0,0]=4 8081 B12R0.102 CCOCC(=O)NCC[C@@H](C)CO 6b98797fa44538a53bc2e825fd59c599 [0,2,0,0,0,0|2,0,0]=4 8082 B12R0.102 CCOCC(C)OCCC(C)CC d2888ae88d7d031d9018f7c0d18bd547 [0,2,0,0,0,0|1,0,1]=4 8083 B12R0.102 CCSCC(=O)NCCC(C)CC 034027570cb4f6dd4b5618e2cab5d942 [0,2,0,0,0,0|1,0,0]=3 8084 B12R0.102 CCSCC(=O)NCCC(C)CO 4498b6af5f783125b5149c38be2cedce [0,2,0,0,0,0|2,0,0]=4 8085 B12R0.102 CCSCC(=O)NCCC(O)CO 2d7da3d0d749619e9a7b7e063886ae86 [0,2,0,0,0,0|2,0,0]=4 8086 B12R0.102 CCSCC(=O)NCC[C@@H](C)CO aa9bf3be0d6d53ffef6de8c77a322f8c [0,2,0,0,0,0|2,0,0]=4 8087 B12R0.102 CC[C@@H](C)COCC(=O)CCSC 7069f155f551688645d4d196cb61ed0a [0,2,0,0,0,0|2,0,0]=4 8088 B12R0.102 CC[C@@H](O)CNCC(=O)CCSC 4853067d3e9ac8aa3181c543f82ad79e [0,2,0,0,0,0|2,0,0]=4 8089 B12R0.102 CC[C@H](C)CNCC(=O)CCSC b68c2e0fbb9f59329bbc3075d49a6be9 [0,2,0,0,0,0|2,0,0]=4 8090 B12R0.102 CC[C@H](C)COCC(=O)CCSC 161be4a5926f8dd849ae20c01661d418 [0,2,0,0,0,0|2,0,0]=4 8091 B12R0.102 COCCC(=O)NCCC(C)CO 2b163ece13a60e8bb9c200035df59227 [0,2,0,0,0,0|2,0,0]=4 8092 B12R0.102 COCCC(=O)NCCC(O)CO db4c36bffc57408c4196730cc476feb2 [0,2,0,0,0,0|2,0,0]=4 8093 B12R0.102 COCCC(=O)NCC[C@@H](C)CO 777047ee56ec6a2ae417fb2dfb997155 [0,2,0,0,0,0|2,0,0]=4 8094 B12R0.102 CSCCC(=O)NCCC(C)CO 7068ef3d96faf4ec99004847d5f13dfa [0,2,0,0,0,0|2,0,0]=4 8095 B12R0.102 CSCCC(=O)NCCC(O)CO f6ee66bb949ceb2a9ee25eaa15dda5ac [0,2,0,0,0,0|2,0,0]=4 8096 B12R0.102 CSCCC(=O)NCC[C@@H](C)CO ff01be9340257b7e7f99730101281529 [0,2,0,0,0,0|2,0,0]=4 8097 B12R0.102 C[C@@H](CO)CCNC(=O)CCCF 1a9ac6766aefc487621d62f862a11871 [0,2,0,0,0,0|2,0,0]=4 8098 B12R0.102 C[C@@H](CO)CCNC(=O)CCCS c20f3084b8487cb2279d4ef3795b6477 [0,2,0,0,0,0|2,0,0]=4 8099 B12R0.102 O=C(CCCF)NCCC(O)CO a988a7f08974bff96a863127c45876d3 [0,2,0,0,0,0|2,0,0]=4 8100 B12R0.102 O=C(CCCS)NCCC(O)CO 22246dee3cf91c05e745bbfd8aeaddd2 [0,2,0,0,0,0|2,0,0]=4 8101 B12R0.111 C#CC(CCCC)OCCCCC ed39780bbf11aab37cab4ea2bc3ecfc4 [0,2,0,0,0,0|1,0,1]=4 8102 B12R0.111 C=CC(CCCC)OCCCCC 37e3d4d2cc0a06a2ae9e5ed1a5738073 [0,2,0,0,0,0|1,0,1]=4 8103 B12R0.111 CCCCCCN(C=O)CCCC a9de1010a63ea7527524d261ee197eb3 [0,2,0,0,0,0|2,0,0]=4 8104 B12R0.111 CCCCCOC(CC)CCCC 175b403322b8667096c8439555919a63 [0,2,0,0,0,0|1,0,1]=4 8105 B12R0.255 C=C(C)CCC(=O)NCCCCC 8beba77f73ae32595fee3681e6f3c6e2 [0,2,0,0,0,0|1,0,0]=3 8106 B12R0.255 C=C(C)CCC(=O)NCCCCCl de4b21f447b3d103e55189d48a889fc5 [0,2,0,0,0,0|2,0,0]=4 8107 B12R0.255 C=C(C)CCC(=O)NCCCCO eb41e2f5952140ca49e6365791af64ff [0,2,0,0,0,0|2,0,0]=4 8108 B12R0.255 C=C(C)CCC(=O)NCCCCS 8ce405856bd3ff59c98c385f117af4f5 [0,2,0,0,0,0|2,0,0]=4 8109 B12R0.255 C=C(C)CCC(=O)NCCCOC 03c41943e1ba9d267176cd7f63e954ba [0,2,0,0,0,0|2,0,0]=4 8110 B12R0.255 C=C(C)CCC(=O)NCCCSC 5858fe21e8779e852e3feb567caded9e [0,2,0,0,0,0|2,0,0]=4 8111 B12R0.255 C=C(C)CCC(=O)NCCOCC 1eb94cca7bb74e9cce09c906a30222c1 [0,2,0,0,0,0|2,0,0]=4 8112 B12R0.255 C=C(C)CCC(=O)NCCSCC 7113661a98e54de589a35f8c968171f4 [0,2,0,0,0,0|2,0,0]=4 8113 B12R0.255 C=C(C)CNC(=O)CCCCCC 5b4749c3394edf46636a663916cd1472 [0,2,0,0,0,0|1,0,1]=4 8114 B12R0.255 C=C(C)CNC(=O)NCCCCC 9e0c6b7725f1fc15a144447c2c3df236 [0,2,0,0,0,0|1,0,1]=4 8115 B12R0.255 CC(=O)CCC(=O)NCCCCCl 02fc7013090a3fe21560bfee4fd48ce8 [0,2,0,0,0,0|2,0,0]=4 8116 B12R0.255 CC(=O)CCC(=O)NCCCCO b57c3eaa490dfbd3086f279be7fc7bff [0,2,0,0,0,0|2,0,0]=4 8117 B12R0.255 CC(=O)CCC(=O)NCCCCS 69f979d83752bc97db6b86624f859695 [0,2,0,0,0,0|2,0,0]=4 8118 B12R0.255 CC(C)CCC(=O)NCCCCCl ab163adaf31a3ce4325b512743d16f7a [0,2,0,0,0,0|2,0,0]=4 8119 B12R0.255 CC(C)CCC(=O)NCCCCO a660b2cba3784fc6140f86c48c916e7b [0,2,0,0,0,0|2,0,0]=4 8120 B12R0.255 CC(C)CCC(=O)NCCCCS 9618e897ed8bbdd363dbd71d3896a8fe [0,2,0,0,0,0|2,0,0]=4 8121 B12R0.255 CC(C)CNC(=O)CCCCCF 2f0deaf2405dfbe27781c3dcff895d9e [0,2,0,0,0,0|2,0,0]=4 8122 B12R0.255 CC(C)CNC(=O)CCCCCO cdad81bee4a3b00c2034c80070845a2d [0,2,0,0,0,0|2,0,0]=4 8123 B12R0.255 CC(C)CNC(=O)CCCCCS 2312f9528001e8bef0a25e587c84f5ae [0,2,0,0,0,0|2,0,0]=4 8124 B12R0.255 CC(C)CNC(=O)NCCCCN 4a18456239f2009b828c9da149dfaa8c [0,2,0,0,0,0|2,0,0]=4 8125 B12R0.255 CC(C)CNC(=O)NCCCCO 716a06a29ef0eb455691c039d1bd3631 [0,2,0,0,0,0|2,0,0]=4 8126 B12R0.255 CC(C)CNC(=O)NCCCCS 3bab63199318795974c7034240e391b2 [0,2,0,0,0,0|2,0,0]=4 8127 B12R0.255 CC(C)OCC(=O)NCCCCCl 8fb1860554ce00a1738610673476ea26 [0,2,0,0,0,0|2,0,0]=4 8128 B12R0.255 CC(C)OCC(=O)NCCCCO 0fdac12abe3cfba81ba77b61c95e21bf [0,2,0,0,0,0|2,0,0]=4 8129 B12R0.255 CC(C)OCC(=O)NCCCCS 451448e06d510169674e177247cc9568 [0,2,0,0,0,0|2,0,0]=4 8130 B12R0.255 CC(C)SCC(=O)NCCCCCl dd4da805622e6abfbef844afddec88ac [0,2,0,0,0,0|2,0,0]=4 8131 B12R0.255 CC(C)SCC(=O)NCCCCO 8e5a3ab3ada4f4b5bcfe6f4342563226 [0,2,0,0,0,0|2,0,0]=4 8132 B12R0.255 CC(C)SCC(=O)NCCCCS d06eeb9861c2ee3161e406b55320d600 [0,2,0,0,0,0|2,0,0]=4 8133 B12R0.255 CC(O)CCC(=O)NCCCCCl e020d36936433fff6a900587aae22e8a [0,2,0,0,0,0|2,0,0]=4 8134 B12R0.255 CC(O)CCC(=O)NCCCCO 7a3c343d68de114d2db2414cc1aa3619 [0,2,0,0,0,0|2,0,0]=4 8135 B12R0.255 CC(O)CCC(=O)NCCCCS 554b766283302868c5371f68379e9d06 [0,2,0,0,0,0|2,0,0]=4 8136 B12R0.255 CC(O)CNC(=O)CCCCCF aad3a1aa167270a752a7d15c513c0bc0 [0,2,0,0,0,0|2,0,0]=4 8137 B12R0.255 CC(O)CNC(=O)CCCCCO 247b82f9e45bd3ddf30cd75e3ff5abec [0,2,0,0,0,0|2,0,0]=4 8138 B12R0.255 CC(O)CNC(=O)CCCCCS deb7e73b9e43ba2fdcf2f35b11b1bfb6 [0,2,0,0,0,0|2,0,0]=4 8139 B12R0.255 CC(O)CNC(=O)NCCCCN 59f5313d303dedcdb688e9ece62cdd86 [0,2,0,0,0,0|2,0,0]=4 8140 B12R0.255 CC(O)CNC(=O)NCCCCO ba1c4ee42b20537fd29e26c3de6531ba [0,2,0,0,0,0|2,0,0]=4 8141 B12R0.255 CC(O)CNC(=O)NCCCCS 057e2c0b6e3e2e97f0d9f9797c6b3176 [0,2,0,0,0,0|2,0,0]=4 8142 B12R0.255 CC(S)CCC(=O)NCCCCCl 237515b32d31c27fada374d12fe3e156 [0,2,0,0,0,0|2,0,0]=4 8143 B12R0.255 CC(S)CCC(=O)NCCCCO 3f6fd95a9b17ff3b7fa90717d4793e97 [0,2,0,0,0,0|2,0,0]=4 8144 B12R0.255 CC(S)CCC(=O)NCCCCS 64f69b7655363b47268c6f2d83c7dab6 [0,2,0,0,0,0|2,0,0]=4 8145 B12R0.255 CCCC/C=C/C(=O)NCC(C)C b5ddd274b67fb04a42d0d2d349061cf6 [0,2,0,0,0,0|1,0,1]=4 8146 B12R0.255 CCCC/C=C/C(=O)NCC(C)O d183129fcffea1515acd5132bb625b81 [0,2,0,0,0,0|1,0,1]=4 8147 B12R0.255 CCCC/C=C/C(=O)NC[C@@H](C)O 77db832f969822ac8860d852f72e2cf0 [0,2,0,0,0,0|1,0,1]=4 8148 B12R0.255 CCCC/C=C/C(=O)NC[C@H](C)O 97a81b6d06b63a410232c4396c72c3ff [0,2,0,0,0,0|1,0,1]=4 8149 B12R0.255 CCCCC#CC(=O)NCC(C)C d2014795c4b2864a3fb5cbdfa2975cbd [0,2,0,0,0,0|1,0,1]=4 8150 B12R0.255 CCCCC#CC(=O)NCC(C)O 4380d540bac24ee77a24ec3d75b6303c [0,2,0,0,0,0|1,0,1]=4 8151 B12R0.255 CCCCC#CC(=O)NC[C@@H](C)O a4ad070ea8126bd2f98c9ae87d10c182 [0,2,0,0,0,0|1,0,1]=4 8152 B12R0.255 CCCCC#CC(=O)NC[C@H](C)O e1b862163a099d9facf8fab47abdb428 [0,2,0,0,0,0|1,0,1]=4 8153 B12R0.255 CCCCC=CC(=O)NCC(C)C cdd25b87366fd7954d25a8021b8a0f4e [0,2,0,0,0,0|1,0,1]=4 8154 B12R0.255 CCCCC=CC(=O)NCC(C)O 54092cb23c07b951607c46aaf386bc4a [0,2,0,0,0,0|1,0,1]=4 8155 B12R0.255 CCCCC=CC(=O)NC[C@@H](C)O eb679e7aac5d1cb7200411ed06e76187 [0,2,0,0,0,0|1,0,1]=4 8156 B12R0.255 CCCCC=CC(=O)NC[C@H](C)O 441ecd271f5fac6504ee781891da1fe7 [0,2,0,0,0,0|1,0,1]=4 8157 B12R0.255 CCCCCCC(=O)NCC(=O)C 66b5691a9bf4e73254f9c1ed646b5502 [0,2,0,0,0,0|1,0,1]=4 8158 B12R0.255 CCCCCCC(=O)NCC(C)C 0c5152eb0e826684d1d413b677c75710 [0,2,0,0,0,0|1,0,0]=3 8159 B12R0.255 CCCCCCC(=O)NCC(C)O c1979e8648c94a347dab72d9885f0875 [0,2,0,0,0,0|1,0,0]=3 8160 B12R0.255 CCCCCCC(=O)NCC(F)F 07757e75cec1ab96bb876760a2faac06 [0,2,0,0,0,0|2,0,0]=4 8161 B12R0.255 CCCCCCC(=O)NC[C@@H](C)O 4e14730ab63dec4b35220e51bd599649 [0,2,0,0,0,0|1,0,0]=3 8162 B12R0.255 CCCCCCC(=O)NC[C@H](C)O b6fabc3eb769298d953797ac157bdffe [0,2,0,0,0,0|1,0,0]=3 8163 B12R0.255 CCCCCNC(=O)/C=C/C(C)C dbf0eac1fd56a72e3ad8e72f2cf44312 [0,2,0,0,0,0|1,0,1]=4 8164 B12R0.255 CCCCCNC(=O)CC=C(C)C 06e0662762aaec0269de3a58fa833ad3 [0,2,0,0,0,0|1,0,1]=4 8165 B12R0.255 CCCCCNC(=O)CCC(=O)C ae21b9b863047306be7a4865d5b704f2 [0,2,0,0,0,0|1,0,0]=3 8166 B12R0.255 CCCCCNC(=O)CCC(=O)N 43037e3ccc24b5037aeea792600b9be3 [0,2,0,0,0,0|1,0,1]=4 8167 B12R0.255 CCCCCNC(=O)CCC(C)C 4509dfaa9996ad412b21022ad1197a9e [0,2,0,0,0,0|1,0,0]=3 8168 B12R0.255 CCCCCNC(=O)CCC(C)O 9ae4d2e8fa18dd30b74dc56d421339a8 [0,2,0,0,0,0|1,0,0]=3 8169 B12R0.255 CCCCCNC(=O)CCC(C)S 8fcca9b47bf869f2b2b12ba6d6ba9a1a [0,2,0,0,0,0|1,0,0]=3 8170 B12R0.255 CCCCCNC(=O)CCC(F)F e26089d3f485e2a318af08a5c0991324 [0,2,0,0,0,0|1,0,0]=3 8171 B12R0.255 CCCCCNC(=O)CCN(C)C 6c60026480da06afc0c07a920b4d8851 [0,2,0,0,0,0|1,0,0]=3 8172 B12R0.255 CCCCCNC(=O)CCS(=O)C 4f504edfc3a29428bab8f93ac2936763 [0,2,0,0,0,0|1,0,0]=3 8173 B12R0.255 CCCCCNC(=O)CC[C@H](C)S 32f20faa1501cb075be47f0761d88337 [0,2,0,0,0,0|1,0,0]=3 8174 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 85b5f0f4864322278ba605dedafc3e56 [0,2,0,0,0,0|2,0,0]=4 8175 B12R0.255 CCCCCNC(=O)CNC(=O)C 515289387fb0aca8c8da77f5b8defe2c [0,2,0,0,0,0|1,0,1]=4 8176 B12R0.255 CCCCCNC(=O)CNC(=S)C e179b4786c451425da0e92354388a1d7 [0,2,0,0,0,0|1,0,1]=4 8177 B12R0.255 CCCCCNC(=O)COC(=O)C 988846a49bdbd94dab582b728787f2ff [0,2,0,0,0,0|1,0,1]=4 8178 B12R0.255 CCCCCNC(=O)COC(C)C 15dfb3726075f7b34aa2c16aad83efd3 [0,2,0,0,0,0|1,0,0]=3 8179 B12R0.255 CCCCCNC(=O)COC(F)F 1a0abe30972458502078b6974c6b2696 [0,2,0,0,0,0|2,0,0]=4 8180 B12R0.255 CCCCCNC(=O)CSC(=O)C 41ba5cc47f73c294d5dcb31c7eb5b72b [0,2,0,0,0,0|1,0,1]=4 8181 B12R0.255 CCCCCNC(=O)CSC(C)C 4eec2f8514798219a761874ff6422331 [0,2,0,0,0,0|1,0,0]=3 8182 B12R0.255 CCCCCNC(=O)CSC(F)F 93b616fb05e971aca1c854da90c0ec31 [0,2,0,0,0,0|2,0,0]=4 8183 B12R0.255 CCCCCNC(=O)NCC(=O)C 303ff37dd0ea906b436989f0d8af4cbb [0,2,0,0,0,0|1,0,1]=4 8184 B12R0.255 CCCCCNC(=O)NCC(C)C 08158b0ccb8481cebd7636491af38d12 [0,2,0,0,0,0|1,0,0]=3 8185 B12R0.255 CCCCCNC(=O)NCC(C)O 5ec8930cc3f2ba2beae2843a0139b8e2 [0,2,0,0,0,0|1,0,0]=3 8186 B12R0.255 CCCCCNC(=O)NCC(F)F b09ef5f4408eec967cc3f2d21d5c2799 [0,2,0,0,0,0|2,0,0]=4 8187 B12R0.255 CCCCCNC(=O)NC[C@@H](C)O 595779b34a71cf136763fd5118013fde [0,2,0,0,0,0|1,0,0]=3 8188 B12R0.255 CCCCCNC(=O)NC[C@H](C)O 561f576252e9d6732de03a0f3ded132b [0,2,0,0,0,0|1,0,0]=3 8189 B12R0.255 CCCCCNC(=S)NCC(C)C c1ecae1e8832c2c18e741c1203154d37 [0,2,0,0,0,0|1,1,0]=4 8190 B12R0.255 CCCCCNC(=S)NCC(C)O 85d9ffd4ccae8d88bfa2588dafefbfbb [0,2,0,0,0,0|1,1,0]=4 8191 B12R0.255 CCCCCNC(=S)NC[C@@H](C)O 6bac4fcfcfb93c2af6007831165c4147 [0,2,0,0,0,0|1,1,0]=4 8192 B12R0.255 CCCCCNC(=S)NC[C@H](C)O bf3f7c92f9626828e2c5c65218e2efbe [0,2,0,0,0,0|1,1,0]=4 8193 B12R0.255 CCCCCOC(C)CCC(C)C f3083416dbfd4c775573ce6ee5eba6d4 [0,2,0,0,0,0|1,0,1]=4 8194 B12R0.255 CCCCCOC(C)CCN(C)C 9bff8374c42b4ab864945a82b348d51b [0,2,0,0,0,0|1,0,1]=4 8195 B12R0.255 CCCCCOC(C)COC(C)C b6e991577221aef15bb5c63a08cdd279 [0,2,0,0,0,0|1,0,1]=4 8196 B12R0.255 CCCCCO[C@@H](C)COC(C)C ae1e1540c460ed255a67891ea2702383 [0,2,0,0,0,0|1,0,1]=4 8197 B12R0.255 CCCCNCC(=O)NCC(C)C 307fb8d9a6543e81eb58cf97b088bf16 [0,2,0,0,0,0|2,0,0]=4 8198 B12R0.255 CCCCOCC(=O)NCC(C)C 188bb7d9fce98ecc105acfa0d846202b [0,2,0,0,0,0|2,0,0]=4 8199 B12R0.255 CCCCOCC(=O)NCC(C)O 10db8463f7dda08f13f3bf23d0fd905c [0,2,0,0,0,0|2,0,0]=4 8200 B12R0.255 CCCCOCC(=O)NC[C@@H](C)O 6da09ed3f23f277cddc4dcabb43e1550 [0,2,0,0,0,0|2,0,0]=4 8201 B12R0.255 CCCCOCC(=O)NC[C@H](C)O 4b5f37c86f3d617dbe0c1476a1a6b487 [0,2,0,0,0,0|2,0,0]=4 8202 B12R0.255 CCCCSCC(=O)NCC(C)C 14acc6f96ce19b6a5aa4ef41d3719e61 [0,2,0,0,0,0|2,0,0]=4 8203 B12R0.255 CCCCSCC(=O)NCC(C)O 133f8c5dd6f6a5fa8092e2b958671201 [0,2,0,0,0,0|2,0,0]=4 8204 B12R0.255 CCCCSCC(=O)NC[C@@H](C)O 9c3ebb36766a809ac7cb8973c6c2458f [0,2,0,0,0,0|2,0,0]=4 8205 B12R0.255 CCCCSCC(=O)NC[C@H](C)O 3a03dcbb269a34e26ed2a3838e89b9f2 [0,2,0,0,0,0|2,0,0]=4 8206 B12R0.255 CCCOCCC(=O)NCC(C)C ec7fcc5f82013c4c0a0b5375357b5634 [0,2,0,0,0,0|2,0,0]=4 8207 B12R0.255 CCCOCCC(=O)NCC(C)O 017d96992e314732f7d78d4b99d7019a [0,2,0,0,0,0|2,0,0]=4 8208 B12R0.255 CCCOCCC(=O)NC[C@@H](C)O 4aa45b06aecef650d0dca86f505ca263 [0,2,0,0,0,0|2,0,0]=4 8209 B12R0.255 CCCOCCC(=O)NC[C@H](C)O 05acf0f5bbcbea6e781d8a4377f94c34 [0,2,0,0,0,0|2,0,0]=4 8210 B12R0.255 CCOCCNC(=O)CCC(=O)C fd2ef8fa098d9b801725da18ef1ad57a [0,2,0,0,0,0|2,0,0]=4 8211 B12R0.255 CCOCCNC(=O)CCC(C)C 1b467f1e3de55b675df3751a1ce524ee [0,2,0,0,0,0|2,0,0]=4 8212 B12R0.255 CCOCCNC(=O)CCC(C)O 7a25dc3ee917c3693b505f95f6452db7 [0,2,0,0,0,0|2,0,0]=4 8213 B12R0.255 CCOCCNC(=O)CCC(C)S ca1e6e1a8a161da46fb784651bf23bd9 [0,2,0,0,0,0|2,0,0]=4 8214 B12R0.255 CCOCCNC(=O)CCC(F)F 7d90d5264cdb9af5e5737d5c00f967d8 [0,2,0,0,0,0|2,0,0]=4 8215 B12R0.255 CCOCCNC(=O)CCN(C)C 0d5635d41e4f70d924393abeee3f5c5f [0,2,0,0,0,0|2,0,0]=4 8216 B12R0.255 CCOCCNC(=O)CCS(=O)C 36fa91a37fd686924bc4c3932de779d1 [0,2,0,0,0,0|2,0,0]=4 8217 B12R0.255 CCOCCNC(=O)CC[C@H](C)S fdc6bbfcb342f851f333391f1fbf4d7c [0,2,0,0,0,0|2,0,0]=4 8218 B12R0.255 CCOCCNC(=O)COC(C)C 8973ac6a207288e5d4e0945028d586df [0,2,0,0,0,0|2,0,0]=4 8219 B12R0.255 CCOCCNC(=O)CSC(C)C 75693f0f126d2a9af89bc6a171a9e2d2 [0,2,0,0,0,0|2,0,0]=4 8220 B12R0.255 CCOCCNC(=O)NCC(C)C 0a832740816dcb4ade4b5122bd02678f [0,2,0,0,0,0|2,0,0]=4 8221 B12R0.255 CCOCCNC(=O)NCC(C)O 680043ce23fc7a58b1bec157cef4e3ce [0,2,0,0,0,0|2,0,0]=4 8222 B12R0.255 CCOCCNC(=O)NC[C@@H](C)O dd9bddb9f80fed88ca1d822ab7487407 [0,2,0,0,0,0|2,0,0]=4 8223 B12R0.255 CCOCCNC(=O)NC[C@H](C)O fa222c4ed6467c0079297b18be31c4bc [0,2,0,0,0,0|2,0,0]=4 8224 B12R0.255 CCOCCOC(=O)COC(C)C c3240d10e7a1edfa9ae26512c8fe6bd2 [0,2,0,0,0,0|1,0,0]=3 8225 B12R0.255 CCSCCNC(=O)CCC(=O)C 7782f962bfc1415bbf51d011b5608d77 [0,2,0,0,0,0|2,0,0]=4 8226 B12R0.255 CCSCCNC(=O)CCC(C)C d8bc032baf473b196f6e889922c90bec [0,2,0,0,0,0|2,0,0]=4 8227 B12R0.255 CCSCCNC(=O)CCC(C)O de8ae67b27ff4b882ec4cdd27e2285df [0,2,0,0,0,0|2,0,0]=4 8228 B12R0.255 CCSCCNC(=O)CCC(C)S 18eed4ca1cf7c47507981583b87425dc [0,2,0,0,0,0|2,0,0]=4 8229 B12R0.255 CCSCCNC(=O)CCC(F)F 9fa2f503ad116eee9fde46b4eb2ac818 [0,2,0,0,0,0|2,0,0]=4 8230 B12R0.255 CCSCCNC(=O)CCN(C)C 918f788e2cb727f4f4b8607eeaee30b6 [0,2,0,0,0,0|2,0,0]=4 8231 B12R0.255 CCSCCNC(=O)CCS(=O)C 2591362ef318e63c05a2214f5bfa918f [0,2,0,0,0,0|2,0,0]=4 8232 B12R0.255 CCSCCNC(=O)CC[C@H](C)S 71ce032c33c0e5c29af6a5fa3104f0a7 [0,2,0,0,0,0|2,0,0]=4 8233 B12R0.255 CCSCCNC(=O)COC(C)C dfae93d4d69ca6f1b33a5b887bd35a11 [0,2,0,0,0,0|2,0,0]=4 8234 B12R0.255 CCSCCNC(=O)CSC(C)C 378d70c85259230df43bdd12d138cd61 [0,2,0,0,0,0|2,0,0]=4 8235 B12R0.255 CCSCCNC(=O)NCC(C)C 538b8dca7c01e59c4d4356308ae773ac [0,2,0,0,0,0|2,0,0]=4 8236 B12R0.255 CCSCCNC(=O)NCC(C)O 5542dc7d2e0eb98919ea3f7a9428b05e [0,2,0,0,0,0|2,0,0]=4 8237 B12R0.255 CCSCCNC(=O)NC[C@@H](C)O af65454915d4d3320b273b898b216fdb [0,2,0,0,0,0|2,0,0]=4 8238 B12R0.255 CCSCCNC(=O)NC[C@H](C)O 8ab8ab001f26eb298caebe68ef50c07e [0,2,0,0,0,0|2,0,0]=4 8239 B12R0.255 CN(C)CCC(=O)NCCCCCl 3d16c469db4005ea09666cf8c8f006c4 [0,2,0,0,0,0|2,0,0]=4 8240 B12R0.255 CN(C)CCC(=O)NCCCCO 89cd0db5a18533b68b713bb7b4a54ee7 [0,2,0,0,0,0|2,0,0]=4 8241 B12R0.255 CN(C)CCC(=O)NCCCCS ac13c50ad7c2bb462a92c6e23566c370 [0,2,0,0,0,0|2,0,0]=4 8242 B12R0.255 COCCCNC(=O)CCC(=O)C 88e36f177c77b4854f80a85c01f38e33 [0,2,0,0,0,0|2,0,0]=4 8243 B12R0.255 COCCCNC(=O)CCC(C)C 475517b4a02dc28b170aab38fd7c9b12 [0,2,0,0,0,0|2,0,0]=4 8244 B12R0.255 COCCCNC(=O)CCC(C)O b8996dc3a09a721c81bb6b41c4181816 [0,2,0,0,0,0|2,0,0]=4 8245 B12R0.255 COCCCNC(=O)CCC(C)S a5a3a9ce465cb57e239a6e377ebd7804 [0,2,0,0,0,0|2,0,0]=4 8246 B12R0.255 COCCCNC(=O)CCC(F)F b1e4f992e1d321f2513163fa2c1c0fcc [0,2,0,0,0,0|2,0,0]=4 8247 B12R0.255 COCCCNC(=O)CCN(C)C ec7eb705e1c2d1dc967fbbf278b4c129 [0,2,0,0,0,0|2,0,0]=4 8248 B12R0.255 COCCCNC(=O)CCS(=O)C cf6532cec05199e273fad9580504d3f3 [0,2,0,0,0,0|2,0,0]=4 8249 B12R0.255 COCCCNC(=O)CC[C@H](C)S caa6c46ab60017eaca0d2327b4c5e941 [0,2,0,0,0,0|2,0,0]=4 8250 B12R0.255 COCCCNC(=O)COC(C)C 514b8b8bc5d257e37cc10b4df6325500 [0,2,0,0,0,0|2,0,0]=4 8251 B12R0.255 COCCCNC(=O)CSC(C)C a083af4fd30a85af6ee18a9f68017992 [0,2,0,0,0,0|2,0,0]=4 8252 B12R0.255 COCCCNC(=O)NCC(C)C 52877f03e921d96fc55dbc3e449ee5a6 [0,2,0,0,0,0|2,0,0]=4 8253 B12R0.255 COCCCNC(=O)NCC(C)O 28298311aa6fa95dd6a74712f9f99708 [0,2,0,0,0,0|2,0,0]=4 8254 B12R0.255 COCCCNC(=O)NC[C@@H](C)O 8cb908ed57435d59d7c1e718c1ef2aed [0,2,0,0,0,0|2,0,0]=4 8255 B12R0.255 COCCCNC(=O)NC[C@H](C)O 361ddedf51ae9c562f2eebd5f7ebf070 [0,2,0,0,0,0|2,0,0]=4 8256 B12R0.255 CS(=O)CCC(=O)NCCCCCl 437f4c2e48f665c76d9caf38a89d308a [0,2,0,0,0,0|2,0,0]=4 8257 B12R0.255 CS(=O)CCC(=O)NCCCCO 2c70d7e3988df63e525d35672869853e [0,2,0,0,0,0|2,0,0]=4 8258 B12R0.255 CS(=O)CCC(=O)NCCCCS 81a4e9dd2a311316882b2db32ef8a796 [0,2,0,0,0,0|2,0,0]=4 8259 B12R0.255 CSCCCNC(=O)CCC(=O)C a841e073f63cce31868ffd8792664c11 [0,2,0,0,0,0|2,0,0]=4 8260 B12R0.255 CSCCCNC(=O)CCC(C)C 5d1fa2cccac8729f548f333a9f1fd1fc [0,2,0,0,0,0|2,0,0]=4 8261 B12R0.255 CSCCCNC(=O)CCC(C)O 3cb826010195a30173aedbcb7cb69ead [0,2,0,0,0,0|2,0,0]=4 8262 B12R0.255 CSCCCNC(=O)CCC(C)S 43019e3c572cf28454e8de05e983ec3b [0,2,0,0,0,0|2,0,0]=4 8263 B12R0.255 CSCCCNC(=O)CCC(F)F 4151fd719f04739d15f00719a22aba42 [0,2,0,0,0,0|2,0,0]=4 8264 B12R0.255 CSCCCNC(=O)CCN(C)C 75ac2091305fa0652f9e0800b64a230b [0,2,0,0,0,0|2,0,0]=4 8265 B12R0.255 CSCCCNC(=O)CCS(=O)C 2f4dbd4004413540152618f093a30982 [0,2,0,0,0,0|2,0,0]=4 8266 B12R0.255 CSCCCNC(=O)CC[C@H](C)S 162afa4c8dbf99e968c8d9ea138031fc [0,2,0,0,0,0|2,0,0]=4 8267 B12R0.255 CSCCCNC(=O)COC(C)C 42455388500e95ef54685cf3e3ebae83 [0,2,0,0,0,0|2,0,0]=4 8268 B12R0.255 CSCCCNC(=O)CSC(C)C 598a87b192ab883427d5788bf2201b84 [0,2,0,0,0,0|2,0,0]=4 8269 B12R0.255 CSCCCNC(=O)NCC(C)C 75945b8ae75e432c1c93906e34aea199 [0,2,0,0,0,0|2,0,0]=4 8270 B12R0.255 CSCCCNC(=O)NCC(C)O 27c1ee0ca274430912d419c6e44bee5f [0,2,0,0,0,0|2,0,0]=4 8271 B12R0.255 CSCCCNC(=O)NC[C@@H](C)O cc207c61f533326613ced49d8f20c418 [0,2,0,0,0,0|2,0,0]=4 8272 B12R0.255 CSCCCNC(=O)NC[C@H](C)O f0e043bdf7d7252cec54280cec535dec [0,2,0,0,0,0|2,0,0]=4 8273 B12R0.255 C[C@@H](O)CNC(=O)CCCCCF 1b4b7e32bd4af3eaa854f38575cd58cf [0,2,0,0,0,0|2,0,0]=4 8274 B12R0.255 C[C@@H](O)CNC(=O)CCCCCO 459efdbb64cdfa9eb9b34d612f8dd01b [0,2,0,0,0,0|2,0,0]=4 8275 B12R0.255 C[C@@H](O)CNC(=O)CCCCCS aa41a283462a3516c6c6c25829f4363c [0,2,0,0,0,0|2,0,0]=4 8276 B12R0.255 C[C@@H](O)CNC(=O)NCCCCN bfe75acacda947489c2fcb5a9cdfa3de [0,2,0,0,0,0|2,0,0]=4 8277 B12R0.255 C[C@@H](O)CNC(=O)NCCCCO b36e03ae3e0603a8dc32bf56171bdaa5 [0,2,0,0,0,0|2,0,0]=4 8278 B12R0.255 C[C@@H](O)CNC(=O)NCCCCS cef41eb96e8725cbec4db0279f90ef00 [0,2,0,0,0,0|2,0,0]=4 8279 B12R0.255 C[C@H](O)CNC(=O)CCCCCF 48a802559132d81a4a423a08efa684af [0,2,0,0,0,0|2,0,0]=4 8280 B12R0.255 C[C@H](O)CNC(=O)CCCCCO e62869498fe2d44ae6b256232d96f8b3 [0,2,0,0,0,0|2,0,0]=4 8281 B12R0.255 C[C@H](O)CNC(=O)CCCCCS b815bd50b32f50d5c16c26777ea61ba6 [0,2,0,0,0,0|2,0,0]=4 8282 B12R0.255 C[C@H](O)CNC(=O)NCCCCN 41829cefee067b2d3f559a6ec8921728 [0,2,0,0,0,0|2,0,0]=4 8283 B12R0.255 C[C@H](O)CNC(=O)NCCCCO e460c0c43b89f3bd3c8769570a0c0f89 [0,2,0,0,0,0|2,0,0]=4 8284 B12R0.255 C[C@H](O)CNC(=O)NCCCCS e8d3898bc96c082f9e4e237a11493289 [0,2,0,0,0,0|2,0,0]=4 8285 B12R0.255 C[C@H](S)CCC(=O)NCCCCCl bde931ebaf7acf7695c9202539adeb4c [0,2,0,0,0,0|2,0,0]=4 8286 B12R0.255 C[C@H](S)CCC(=O)NCCCCO cb5e62473e6879f17a70fa0022531fbb [0,2,0,0,0,0|2,0,0]=4 8287 B12R0.255 C[C@H](S)CCC(=O)NCCCCS 789ad9251459a441c445fb4616d301f0 [0,2,0,0,0,0|2,0,0]=4 8288 B12R0.255 O=C(CCC(F)F)NCCCCCl 4e7a408328bab2a3f8502cbf0facd439 [0,2,0,0,0,0|2,0,0]=4 8289 B12R0.255 O=C(CCC(F)F)NCCCCO cb8311d9e0552bce6db544c1cf0f8724 [0,2,0,0,0,0|2,0,0]=4 8290 B12R0.255 O=C(CCC(F)F)NCCCCS 3c25c5afa153ee9e691a37afa42cdf8b [0,2,0,0,0,0|2,0,0]=4 8291 B12R0.648 C#CCCC(=O)N(C)CCCCC 5962ec206d5d678f163d218bc376db60 [0,2,0,0,0,0|1,0,1]=4 8292 B12R0.648 C/C=C/CC(=O)N(C)CCCCC d54dc5ba850b1b62c2ee8222a59a61d8 [0,2,0,0,0,0|1,0,1]=4 8293 B12R0.648 C=CCCC(=O)N(C)CCCCC 520775221fd296bddfa1041b0344faaf [0,2,0,0,0,0|1,0,1]=4 8294 B12R0.648 CC#CCC(=O)N(C)CCCCC 4bd4f91f89b706200ca3575ec1308330 [0,2,0,0,0,0|1,0,1]=4 8295 B12R0.648 CC/C=C/C(=O)N(C)CCCCC 7ea4363cb6f7cad5869e914f0db932e7 [0,2,0,0,0,0|1,0,1]=4 8296 B12R0.648 CC/C=C\C(=O)N(C)CCCCC 10b001fe1bca2eff556760a4acb1a931 [0,2,0,0,0,0|1,0,1]=4 8297 B12R0.648 CCC#CC(=O)N(C)CCCCC dd8594c83c10aa971d7e4eda82ec92cb [0,2,0,0,0,0|1,0,1]=4 8298 B12R0.648 CCC=CC(=O)N(C)CCCCC a56b538b1a64e9734974b3abd9f6a29b [0,2,0,0,0,0|1,0,1]=4 8299 B12R0.648 CCCCC(=O)N(C)CCCCO 775def692b1f8331939554df9d8e8bd0 [0,2,0,0,0,0|2,0,0]=4 8300 B12R0.648 CCCCC(=O)N(C)CCCOC 0664706663ef3d92252f5ea0cf56acf6 [0,2,0,0,0,0|2,0,0]=4 8301 B12R0.648 CCCCC(=O)N(C)CCOCC ad81704c443b8ff8cc53d7e1cb504d41 [0,2,0,0,0,0|2,0,0]=4 8302 B12R0.648 CCCCCC(=O)C(=O)NCCBr 24a371681b14c0e648e3ffd0c0e14c69 [0,2,0,0,0,0|2,0,0]=4 8303 B12R0.648 CCCCCC(=O)C(=O)NCCC fb51708cecf5dd6a3040f4e7e4e30451 [0,2,0,0,0,0|1,0,0]=3 8304 B12R0.648 CCCCCC(=O)C(=O)NCCF 9983bf1b28b2a4bd55aac50ba844e8ad [0,2,0,0,0,0|2,0,0]=4 8305 B12R0.648 CCCCCC(=O)C(=O)NCCI 134b1ecacf3e8f953fb7386c4b9127e0 [0,2,0,0,0,0|2,0,0]=4 8306 B12R0.648 CCCCCC(=O)C(=O)NCCO ae1f17c269cc64f961462091d365c3ff [0,2,0,0,0,0|2,0,0]=4 8307 B12R0.648 CCCCCC(=O)C(=O)NCCS 1bb392fbf636a173d902893203462001 [0,2,0,0,0,0|2,0,0]=4 8308 B12R0.648 CCCCCC(O)C(=O)NCCBr 3a634e891d46dc26e064d4738422f68f [0,2,0,0,0,0|2,0,0]=4 8309 B12R0.648 CCCCCC(O)C(=O)NCCC 2fd994a0f1156eb7baae1c2719d13c11 [0,2,0,0,0,0|1,0,0]=3 8310 B12R0.648 CCCCCC(O)C(=O)NCCF fd79112c59cbd4470b58c29f5f2e1663 [0,2,0,0,0,0|2,0,0]=4 8311 B12R0.648 CCCCCC(O)C(=O)NCCI f1ae2b13cbc1ebf9ec58104470d94a44 [0,2,0,0,0,0|2,0,0]=4 8312 B12R0.648 CCCCCC(O)C(=O)NCCO f00c7bf0ff8cca8995bba730431253e0 [0,2,0,0,0,0|2,0,0]=4 8313 B12R0.648 CCCCCC(O)C(=O)NCCS 080cb00524ed452ca6402d2c707e0aa2 [0,2,0,0,0,0|2,0,0]=4 8314 B12R0.648 CCCCCN(C)C(=O)CCC#N 1e12cb32ebf95d89faed87965f6630a0 [0,2,0,0,0,0|1,0,1]=4 8315 B12R0.648 CCCCCN(C)C(=O)CCC=O e320858ba8b477c1d01486a4e3c34ac8 [0,2,0,0,0,0|1,0,1]=4 8316 B12R0.648 CCCCCN(C)C(=O)CCCC b8e48fd07fbf020f91bdded241b261bc [0,2,0,0,0,0|1,0,0]=3 8317 B12R0.648 CCCCCN(C)C(=O)CCCF 8aff02d42d31bf4389df4d91e1d6b2fd [0,2,0,0,0,0|1,0,0]=3 8318 B12R0.648 CCCCCN(C)C(=O)CCCS 22e567b7248abacfeb41cb59054172c1 [0,2,0,0,0,0|1,0,0]=3 8319 B12R0.648 CCCCCN(C)C(=O)CCOC ba7e8aab5d17c7ee5bdb30601b21f080 [0,2,0,0,0,0|1,0,0]=3 8320 B12R0.648 CCCCCN(C)C(=O)CCSC 24a30220ed10c20fcdfe1df1bae7a461 [0,2,0,0,0,0|1,0,0]=3 8321 B12R0.648 CCCCCN(C)C(=O)COCC ffeeaacf47bbd227678dba268d8c7037 [0,2,0,0,0,0|1,0,0]=3 8322 B12R0.648 CCCCCN(C)C(=O)CSCC 75ac2d0aa1507a3c9291c2474fa376db [0,2,0,0,0,0|1,0,0]=3 8323 B12R0.648 CCCCCN(C)C(=O)CSSC 322550913a5fdf277403ccb2bbc79d8a [0,2,0,0,0,0|2,0,0]=4 8324 B12R0.648 CCCCCN(C)C(=O)NCCC 619c29b8c6aff279fe9860202d7945c8 [0,2,0,0,0,0|1,0,0]=3 8325 B12R0.648 CCCCCN(C)C(=O)NCCF ee5e856b038d8bd53cd62c56282e0687 [0,2,0,0,0,0|2,0,0]=4 8326 B12R0.648 CCCCCN(C)C(=O)NCCN c546589a4792631ec3aca9eab2b14d4b [0,2,0,0,0,0|2,0,0]=4 8327 B12R0.648 CCCCCN(C)C(=O)NCCO 16758958a7086c0f26a782878e33c3f3 [0,2,0,0,0,0|2,0,0]=4 8328 B12R0.648 CCCCCN(C)C(=O)NCCS 0b270c2db4ba96497e52c414ebf16529 [0,2,0,0,0,0|2,0,0]=4 8329 B12R0.648 CCCCCN(C)C(=S)NCCC d1e351e9fceaabb69c0f3a1226fefb2a [0,2,0,0,0,0|1,1,0]=4 8330 B12R0.648 CCCCNC(=O)C(=O)CCCC 27da2b22f97f57580f57206af7a88f2e [0,2,0,0,0,0|2,0,0]=4 8331 B12R0.648 CCCCNC(C)C(=O)NCCC b23d68510eca035fd70283300fd1675d [0,2,0,0,0,0|2,0,0]=4 8332 B12R0.648 CCCCNC(C)C(=O)OCCC 72e5ecde69f1c450cf1966dcec87c642 [0,2,0,0,0,0|2,0,0]=4 8333 B12R0.648 CCCCN[C@@H](C)C(=O)OCCC 65ea24b695138ad698027545e262ca43 [0,2,0,0,0,0|2,0,0]=4 8334 B12R0.648 CCCCOC(C)C(=O)NCCC ad7a68da42884ea4c7983bb9c889f86f [0,2,0,0,0,0|2,0,0]=4 8335 B12R0.648 CCCCOC(C)C(=O)OCCC a469c0b62bfab3caa83a1ab0b7ae6134 [0,2,0,0,0,0|2,0,0]=4 8336 B12R0.648 CCCCO[C@@H](C)C(=O)OCCC 565040bfb203ee4ec6ce02ae317071f6 [0,2,0,0,0,0|2,0,0]=4 8337 B12R0.648 CCCCSC(C)C(=O)NCCC 74d2d766182f45db4c5a60a873fc8261 [0,2,0,0,0,0|2,0,0]=4 8338 B12R0.648 CCCNC(=O)N(C)CCCCO e6d8cca78a818dd1ab1d02e23a6f5689 [0,2,0,0,0,0|2,0,0]=4 8339 B12R0.648 CCCNC(=O)N(C)CCCNC a91b3103a42139ba214065e5f8b08156 [0,2,0,0,0,0|2,0,0]=4 8340 B12R0.648 CCCNC(=O)N(C)CCCOC 47bd82f300fedf4905efc71308c8c5da [0,2,0,0,0,0|2,0,0]=4 8341 B12R0.648 CCCNC(=O)N(C)CCOCC b78ef594ad8715b42060636fff2c74bc [0,2,0,0,0,0|2,0,0]=4 8342 B12R0.648 CCOCC(=O)N(C)CCCCO c5c5e0adac8ca21d7b5a56c6278fd912 [0,2,0,0,0,0|2,0,0]=4 8343 B12R0.648 CCOCC(=O)N(C)CCCOC b132e85a68fa1b47cfb32a271519d8a4 [0,2,0,0,0,0|2,0,0]=4 8344 B12R0.648 CCOCCN(C)C(=O)CCCF 26b4e0ab04a94496754c116bf5996bf7 [0,2,0,0,0,0|2,0,0]=4 8345 B12R0.648 CCOCCN(C)C(=O)CCCS 1673d9e785b6cf7ccdaaaa95c39c8382 [0,2,0,0,0,0|2,0,0]=4 8346 B12R0.648 CCOCCN(C)C(=O)CCOC 0679cc3d88858c527e40ec95f6aa922c [0,2,0,0,0,0|2,0,0]=4 8347 B12R0.648 CCOCCN(C)C(=O)CCSC 244cfbbab4400bd88efed82a4b3e10ff [0,2,0,0,0,0|2,0,0]=4 8348 B12R0.648 CCOCCN(C)C(=O)COCC 356fd9416a6a161ccb574cbb4729e2da [0,2,0,0,0,0|2,0,0]=4 8349 B12R0.648 CCOCCN(C)C(=O)CSCC eb60260180254d95460f14b750e09fb5 [0,2,0,0,0,0|2,0,0]=4 8350 B12R0.648 CCSCC(=O)N(C)CCCCO d81d58f244644f16a9bb1b601b591be2 [0,2,0,0,0,0|2,0,0]=4 8351 B12R0.648 CCSCC(=O)N(C)CCCOC 9e81c21cd202b1aa1ea4b37e5b5e6742 [0,2,0,0,0,0|2,0,0]=4 8352 B12R0.648 CN(CCCCO)C(=O)CCCF 23b731565f9dbd1e8537a316b754cc5f [0,2,0,0,0,0|2,0,0]=4 8353 B12R0.648 CN(CCCCO)C(=O)CCCS a8f7c7249138ad93a121cb4c479eb816 [0,2,0,0,0,0|2,0,0]=4 8354 B12R0.648 COCCC(=O)N(C)CCCCO 75348db5d4c2f866bc3dd541e93a3c15 [0,2,0,0,0,0|2,0,0]=4 8355 B12R0.648 COCCCN(C)C(=O)CCCF 5233755632766897d18d7885a948cffc [0,2,0,0,0,0|2,0,0]=4 8356 B12R0.648 COCCCN(C)C(=O)CCCS 995649f8e8d925bce39256dc17d1656f [0,2,0,0,0,0|2,0,0]=4 8357 B12R0.648 COCCCN(C)C(=O)CCOC 71f8ff69b7e84db075fea67ea76d3954 [0,2,0,0,0,0|2,0,0]=4 8358 B12R0.648 COCCCN(C)C(=O)CCSC ada74137f1d77c8ae96618e97f689356 [0,2,0,0,0,0|2,0,0]=4 8359 B12R0.648 CSCCC(=O)N(C)CCCCO 514a093a6d431417fd90ed2a7f203fa5 [0,2,0,0,0,0|2,0,0]=4 8360 B12R0.86 C=C(CC)C(=O)NCCCC(C)C f2387eebfce9dc50ffe8e9ca5e444bf2 [0,2,0,0,0,0|1,0,1]=4 8361 B12R0.86 CC(C)CCCNC(=O)C(O)CO 85fa3e9ff69ccc8fc205c0026bff3672 [0,2,0,0,0,0|2,0,0]=4 8362 B12R0.86 CC(C)CCCNC(=O)[C@@H](O)CO 61c0844692bac3d7e39c6dbe6e1005f0 [0,2,0,0,0,0|2,0,0]=4 8363 B12R0.86 CC(C)CCCNC(=O)[C@H](O)CF 06e32f9967443a403f0f3e0986a2fed1 [0,2,0,0,0,0|2,0,0]=4 8364 B12R0.86 CCC(=O)C(=O)NCCCC(C)C 1b6b8e0166d1efe315fc7d55faad3649 [0,2,0,0,0,0|1,0,1]=4 8365 B12R0.86 CCC(C)C(=O)CNCCC(C)C 78237bf015db47136fab8cc45753d2c2 [0,2,0,0,0,0|2,0,0]=4 8366 B12R0.86 CCC(C)C(=O)CNCCC(C)O 3c9431fe5ace956d836b989a9d407a22 [0,2,0,0,0,0|2,0,0]=4 8367 B12R0.86 CCC(C)C(=O)CNCC[C@@H](C)O faf454a3b4fdfa3e796c1825f75a429e [0,2,0,0,0,0|2,0,0]=4 8368 B12R0.86 CCC(C)C(=O)CNCC[C@H](C)O 284ca295c1c9b94df5bf28e725e55b79 [0,2,0,0,0,0|2,0,0]=4 8369 B12R0.86 CCC(C)C(=O)COCCC(C)C b5ee9505a5ee36cfde60ffe433ae76b6 [0,2,0,0,0,0|2,0,0]=4 8370 B12R0.86 CCC(C)C(C)OCCCC(C)C a2463d57311614267dc32edce0b8e4d4 [0,2,0,0,0,0|1,0,1]=4 8371 B12R0.86 CCC(O)C(=O)NCCCC(C)C a81eb22130c4bff949cb7e1c5bbe372d [0,2,0,0,0,0|1,0,0]=3 8372 B12R0.86 CCC(O)C(=O)NCCCN(C)C 72fef3b111bef658ed1a8ff830e406c7 [0,2,0,0,0,0|2,0,0]=4 8373 B12R0.86 CCC(O)C(=O)NCCCS(=O)C 5f0caa9624428f02b818670462a43de0 [0,2,0,0,0,0|2,0,0]=4 8374 B12R0.86 CCC(O)C(=O)NCCOC(C)C 2e740ec42b7408a43c32b9de1ee5e682 [0,2,0,0,0,0|2,0,0]=4 8375 B12R0.86 CCN(C)C(=O)CCCCC(C)C 939bdefc8ae6318f842507d7304ab221 [0,2,0,0,0,0|2,0,0]=4 8376 B12R0.86 CCN(C)C(=O)NCCCC(C)C 1dad33f49f01c3e8125b596060ec79ca [0,2,0,0,0,0|2,0,0]=4 8377 B12R0.86 CC[C@@H](O)C(=O)NCCCC(C)C 4d8b2675d05553e9aa191ffa5ce56160 [0,2,0,0,0,0|1,0,0]=3 8378 B12R0.86 CC[C@@H](O)C(=O)NCCCN(C)C c84a89b54cb40b616217f8622e7b7788 [0,2,0,0,0,0|2,0,0]=4 8379 B12R0.86 CC[C@@H](O)C(=O)NCCCS(=O)C 586c286d9a42d70e1338a835ae1327a5 [0,2,0,0,0,0|2,0,0]=4 8380 B12R0.86 CC[C@@H](O)C(=O)NCCOC(C)C e8f25a89bb5015d4b9c28237c333f7f4 [0,2,0,0,0,0|2,0,0]=4 8381 B12R0.86 CC[C@H](O)C(=O)NCCCC(C)C 4d1d091a7e81a3c13988b9ad318db410 [0,2,0,0,0,0|1,0,0]=3 8382 B12R0.86 CC[C@H](O)C(=O)NCCCN(C)C 9e307a79791db16328e2a98cfc0666b5 [0,2,0,0,0,0|2,0,0]=4 8383 B12R0.86 CC[C@H](O)C(=O)NCCCS(=O)C b9ad757439929f4f25e508db0f3df99f [0,2,0,0,0,0|2,0,0]=4 8384 B12R0.86 CC[C@H](O)C(=O)NCCOC(C)C 3fb0335476a4c64cbfca7354742a38e7 [0,2,0,0,0,0|2,0,0]=4 8385 B12R0.86 CC[C@H](S)C(=O)NCCCC(C)C 7253153cfce1a188df64e2ce86e41c6c [0,2,0,0,0,0|1,0,0]=3 8386 B12R0.86 CC[C@H](S)C(=O)NCCCN(C)C b527deaf5112ba89c32df2250cb8700d [0,2,0,0,0,0|2,0,0]=4 8387 B12R0.86 CC[C@H](S)C(=O)NCCCS(=O)C 671633dd3acd14336c71757dcd600fd5 [0,2,0,0,0,0|2,0,0]=4 8388 B12R0.86 CC[C@H](S)C(=O)NCCOC(C)C 4291e9b8dd548ebeed987e714f61694b [0,2,0,0,0,0|2,0,0]=4 8389 B12R0.86 COC(C)C(=O)NCCCC(C)C ca3cf46f2da024bae55ef3b5d0aa13c4 [0,2,0,0,0,0|2,0,0]=4 8390 B12R0.86 CO[C@@H](C)C(=O)NCCCC(C)C 5611ab04f8ae8fd7bfa0743398d9c0d1 [0,2,0,0,0,0|2,0,0]=4 8391 B12R0.86 CO[C@H](C)C(=O)NCCCC(C)C b263b52dcbb1f15e5f708dc9821fcf0e [0,2,0,0,0,0|2,0,0]=4 8392 B12R0.86 CSC(C)C(=O)NCCCC(C)C 561536787bf9b63ead6add5e247f8971 [0,2,0,0,0,0|2,0,0]=4 8393 B12R0.110 C=C(CC)C(=O)N(C)CCCCC 02013f2fe104071354630e4139b9e610 [0,2,0,0,0,0|1,0,1]=4 8394 B12R0.110 CCC(O)C(=O)N(C)CCCCO d8678d0f45d79fbe3c81c7c84c60c763 [0,2,0,0,0,0|2,0,0]=4 8395 B12R0.110 CCC(O)C(=O)N(C)CCCOC e63154bee587b13995314628274aafc7 [0,2,0,0,0,0|2,0,0]=4 8396 B12R0.110 CCCCCC(=O)C(=O)N(C)CC 7cd74ccf1e5b3ac4d46644a24d9f55b2 [0,2,0,0,0,0|2,0,0]=4 8397 B12R0.110 CCCCCC(O)C(=O)N(C)CC bcf94a6111d62a9de3b7c5d31f57cf2b [0,2,0,0,0,0|2,0,0]=4 8398 B12R0.110 CCCCCN(C)C(=O)C(=O)CC 30b4cab41c51a5d43198d987fefb1e3b [0,2,0,0,0,0|1,0,1]=4 8399 B12R0.110 CCCCCN(C)C(=O)C(C)OC 2e52af482024b248854801bfbd638c5a [0,2,0,0,0,0|2,0,0]=4 8400 B12R0.110 CCCCCN(C)C(=O)C(C)SC 36fa02765640247021b720c18c837b4c [0,2,0,0,0,0|2,0,0]=4 8401 B12R0.110 CCCCCN(C)C(=O)C(O)CC ef806910f8ed928e71fea9b9246b1884 [0,2,0,0,0,0|1,0,0]=3 8402 B12R0.110 CCCCCN(C)C(=O)C(O)CO 9fa613f5f60be7f922f0fe95376d787b [0,2,0,0,0,0|2,0,0]=4 8403 B12R0.110 CCCCCN(C)C(=O)[C@@H](C)OC e90017e06fe1afbbb6c817d2e8f55ecf [0,2,0,0,0,0|2,0,0]=4 8404 B12R0.110 CCCCCN(C)C(=O)[C@@H](O)CC de4de5ec60655b1d81a173b0aa274982 [0,2,0,0,0,0|1,0,0]=3 8405 B12R0.110 CCCCCN(C)C(=O)[C@@H](O)CO 90bc830579bf2b590fc34c60b2a23eff [0,2,0,0,0,0|2,0,0]=4 8406 B12R0.110 CCCCCN(C)C(=O)[C@@H](S)CC aafe83530d00de8c8384cd5a220e1a53 [0,2,0,0,0,0|1,0,0]=3 8407 B12R0.110 CCCCCN(C)C(=O)[C@H](C)OC 726a8861240d8fee0e32d2895b8ec6d7 [0,2,0,0,0,0|2,0,0]=4 8408 B12R0.110 CCCCCN(C)C(=O)[C@H](O)CC dcad753147566527b7a4962551924a2f [0,2,0,0,0,0|1,0,0]=3 8409 B12R0.110 CCCCCN(C)C(=O)[C@H](O)CF eb168109219fa953e063f46db57bab9c [0,2,0,0,0,0|2,0,0]=4 8410 B12R0.110 CCCCNC(=O)C(=O)C(C)CC 02b08cd96d8a43ecdb7a4c574c677265 [0,2,0,0,0,0|2,0,0]=4 8411 B12R0.110 CCOCCN(C)C(=O)C(O)CC 50e837d8bf5366f2b02627198c02feea [0,2,0,0,0,0|2,0,0]=4 8412 B12R0.110 CCOCCN(C)C(=O)[C@@H](O)CC 8795a1fd1c6a69b94d8cb39daedca30c [0,2,0,0,0,0|2,0,0]=4 8413 B12R0.110 CCOCCN(C)C(=O)[C@@H](S)CC 11a3447b9a4e1715d0e8348d4590f2c3 [0,2,0,0,0,0|2,0,0]=4 8414 B12R0.110 CCOCCN(C)C(=O)[C@H](O)CC 90fb9aa97ff69551ec0c86e30a65fcbc [0,2,0,0,0,0|2,0,0]=4 8415 B12R0.110 CC[C@@H](O)C(=O)N(C)CCCCO dbc3e9a96e583e84be71b2b84b1785a5 [0,2,0,0,0,0|2,0,0]=4 8416 B12R0.110 CC[C@@H](O)C(=O)N(C)CCCOC e450a56bffe0c55ff0c68de320df6044 [0,2,0,0,0,0|2,0,0]=4 8417 B12R0.110 CC[C@H](O)C(=O)N(C)CCCCO d2b80d38ad3ca889eeb8a8bdb7a8b146 [0,2,0,0,0,0|2,0,0]=4 8418 B12R0.110 CC[C@H](O)C(=O)N(C)CCCOC dc71a76f792c77d9611bcce7c604135d [0,2,0,0,0,0|2,0,0]=4 8419 B12R0.110 CC[C@H](S)C(=O)N(C)CCCCO f8e288d59950e9a4f6fc10998cdaa3a5 [0,2,0,0,0,0|2,0,0]=4 8420 B12R0.110 CC[C@H](S)C(=O)N(C)CCCOC 294b2777fb07373f0b7abfcd65a2fd36 [0,2,0,0,0,0|2,0,0]=4 8421 B12R0.116 C/C=C(/CC)\C(=O)NCCCCC c0dc86a0ac42a7e850f498a9bd7204a0 [0,2,0,0,0,0|1,0,1]=4 8422 B12R0.116 C/C=C(\CC)/C(=O)NCCCCC 34a4dbb60d9f8c24a761cff09bf040d4 [0,2,0,0,0,0|1,0,1]=4 8423 B12R0.116 CC=C(CC)C(=O)NCCCCC 5f5dc25acabd46e971eda54aa83f739b [0,2,0,0,0,0|1,0,1]=4 8424 B12R0.116 CCC(CC)C(=O)OCNCCBr 079ca4b4c8382ed3205635c97bb1e0ac [0,2,0,0,0,0|2,0,0]=4 8425 B12R0.116 CCC(CC)C(=O)OCNCCF 6bfee5a628330c6163aa828fc0e27e11 [0,2,0,0,0,0|2,0,0]=4 8426 B12R0.116 CCC(CC)C(=O)OCNCCI 18757051599f5d1e071414fd44d0e576 [0,2,0,0,0,0|2,0,0]=4 8427 B12R0.116 CCC(CC)C(=O)OCNCCO fdff3df26fdaa925869594ca9e046c28 [0,2,0,0,0,0|2,0,0]=4 8428 B12R0.116 CCC(CC)C(=O)OCNCCS 4297164ea8eb45624978c9462e8b0283 [0,2,0,0,0,0|2,0,0]=4 8429 B12R0.116 CCC(CC)C(=O)OCOCCF b3beda2310b98f0984ed0d0437674fe1 [0,2,0,0,0,0|2,0,0]=4 8430 B12R0.116 CCC(CC)C(=O)OCOCCS 950b76ad9e9687366457b98cdcb6be57 [0,2,0,0,0,0|2,0,0]=4 8431 B12R0.116 CCC(CC)C(=O)OCOCOC 071a541820808447e522093a36c40fe8 [0,2,0,0,0,0|2,0,0]=4 8432 B12R0.116 CCC(OC)C(=O)NCCCCCl 4656e09f2803e684b829161de843234c [0,2,0,0,0,0|2,0,0]=4 8433 B12R0.116 CCC(OC)C(=O)NCCCCO a05c78cfb9c1787108042c43155abd62 [0,2,0,0,0,0|2,0,0]=4 8434 B12R0.116 CCC(OC)C(=O)NCCCCS 0e17b69af38f5bf8a337e1ca8a44a577 [0,2,0,0,0,0|2,0,0]=4 8435 B12R0.116 CCC(OC)C(=O)NCCCOC 4e0fde2821c561adc5a5afb96d0742b3 [0,2,0,0,0,0|2,0,0]=4 8436 B12R0.116 CCC(OC)C(=O)NCCCSC ba10fc4628cf258b2a3f5d304accac6b [0,2,0,0,0,0|2,0,0]=4 8437 B12R0.116 CCCCCNC(=O)C(CC)OC 090883fbc2b0afdf4f09fc93882d1587 [0,2,0,0,0,0|1,0,0]=3 8438 B12R0.116 CCCCCNC(=O)C(OC)OC a958d1290b08b69660ec680d371230ab [0,2,0,0,0,0|2,0,0]=4 8439 B12R0.116 CCCCCOC(C)C(CC)CC 2be2fe1b6f7592fe53b025db70cf2795 [0,2,0,0,0,0|1,0,1]=4 8440 B12R0.116 CCCNCOC(=O)C(CC)CC 08fe441321dd155e48282fab9d53ccd6 [0,2,0,0,0,0|1,0,0]=3 8441 B12R0.116 CCCOCOC(=O)C(CC)CC edd9fc75036fa1c25886a93ed76bd8ab [0,2,0,0,0,0|1,0,0]=3 8442 B12R0.116 CCOCCNC(=O)C(CC)OC 3c51be4ff065b09df416f916fc986ccb [0,2,0,0,0,0|2,0,0]=4 8443 B12R0.116 CCSCCNC(=O)C(CC)OC e9cfe7c8367568b0cd2f18cff3b52a66 [0,2,0,0,0,0|2,0,0]=4 8444 B12R0.156 C=C(CC)C(=O)NCCC(C)CC 595ef3d2da0b36ee09d97f06fb66377c [0,2,0,0,0,0|1,0,1]=4 8445 B12R0.156 CCC(=O)C(=O)NCCC(C)CC dcc431fda44ef0a065a751f8a15c32bf [0,2,0,0,0,0|1,0,1]=4 8446 B12R0.156 CCC(C)C(=O)CNC[C@@H](C)CC 9cfd7dadf8ff6d4c536f79a43f9f28ad [0,2,0,0,0,0|2,0,0]=4 8447 B12R0.156 CCC(C)C(=O)CNC[C@H](O)CC 4a457dce3c491e7616c826f878933c68 [0,2,0,0,0,0|2,0,0]=4 8448 B12R0.156 CCC(C)C(=O)COC[C@@H](C)CC 46d5788922deb94032451dae33c86a47 [0,2,0,0,0,0|2,0,0]=4 8449 B12R0.156 CCC(C)C(=O)COC[C@H](C)CC 574d7708120230d670b4b100edae6e6a [0,2,0,0,0,0|2,0,0]=4 8450 B12R0.156 CCC(C)CCCC(=O)N(C)CC f672790353be7d90a8128033b032bf9a [0,2,0,0,0,0|2,0,0]=4 8451 B12R0.156 CCC(C)CCNC(=O)C(C)OC 41c002f8f1945d412f673479ef4ca373 [0,2,0,0,0,0|2,0,0]=4 8452 B12R0.156 CCC(C)CCNC(=O)C(C)SC b361dc4dd31c9dd991b4023c3f32258b [0,2,0,0,0,0|2,0,0]=4 8453 B12R0.156 CCC(C)CCNC(=O)C(O)CC b5841b36482cff0327de9f70b0963a27 [0,2,0,0,0,0|1,0,0]=3 8454 B12R0.156 CCC(C)CCNC(=O)C(O)CO 9818c2392ab208235e4eb3a7f4abcc4f [0,2,0,0,0,0|2,0,0]=4 8455 B12R0.156 CCC(C)CCNC(=O)N(C)CC f1b02b5a4c93f898ae96e91d20eb9f38 [0,2,0,0,0,0|2,0,0]=4 8456 B12R0.156 CCC(C)CCNC(=O)[C@@H](C)OC 23946a0cd0f2f9a8f9bdd819f8e6a4d0 [0,2,0,0,0,0|2,0,0]=4 8457 B12R0.156 CCC(C)CCNC(=O)[C@@H](O)CC debe5bc3ad480fa79add4d3413a33ef2 [0,2,0,0,0,0|1,0,0]=3 8458 B12R0.156 CCC(C)CCNC(=O)[C@@H](O)CO 53527b3da1e247c7b3c726d113e2e3d1 [0,2,0,0,0,0|2,0,0]=4 8459 B12R0.156 CCC(C)CCNC(=O)[C@@H](S)CC 53d1892fb2c795673eb7bc814f73efb0 [0,2,0,0,0,0|1,0,0]=3 8460 B12R0.156 CCC(C)CCNC(=O)[C@H](C)OC 58891b5b67d024a864b17f1b8e165cff [0,2,0,0,0,0|2,0,0]=4 8461 B12R0.156 CCC(C)CCNC(=O)[C@H](O)CC c26da02056e57b491cba2eb18c199078 [0,2,0,0,0,0|1,0,0]=3 8462 B12R0.156 CCC(C)CCNC(=O)[C@H](O)CF 5406be9456b3adb73cd19e5fbe38e809 [0,2,0,0,0,0|2,0,0]=4 8463 B12R0.156 CCC(C)CCOC(C)C(C)CC fa33ade54b1b7915f649baaa718481a8 [0,2,0,0,0,0|1,0,1]=4 8464 B12R0.156 CCC(C)CNCC(=O)C(C)CC bee7a1169b6b7d5642358c88a0af2d3a [0,2,0,0,0,0|2,0,0]=4 8465 B12R0.156 CCC(C)COCC(=O)C(C)CC a9769fed76ddf593fd62ec83bc4370ba [0,2,0,0,0,0|2,0,0]=4 8466 B12R0.156 CCC(O)C(=O)NCCC(C)CO 08a6484610384a3451831e8072c69c0e [0,2,0,0,0,0|2,0,0]=4 8467 B12R0.156 CCC(O)C(=O)NCCC(O)CO 8a090fee9c29af5e2f44da96ba773227 [0,2,0,0,0,0|2,0,0]=4 8468 B12R0.156 CCC(O)C(=O)NCC[C@@H](C)CO 324ce113c05cc8bd1b1cbe51dd11cee4 [0,2,0,0,0,0|2,0,0]=4 8469 B12R0.156 CCC(O)CNCC(=O)C(C)CC 2bda23bf781f5d6653cb936fb5bfb67a [0,2,0,0,0,0|2,0,0]=4 8470 B12R0.156 CC[C@@H](O)C(=O)NCCC(C)CO f360da054b52904958d64dc977ef6239 [0,2,0,0,0,0|2,0,0]=4 8471 B12R0.156 CC[C@@H](O)C(=O)NCCC(O)CO 2f2e04f2aa4ff536c84a1b09d28c7252 [0,2,0,0,0,0|2,0,0]=4 8472 B12R0.156 CC[C@@H](O)C(=O)NCC[C@@H](C)CO ddbe6ff28319197be17f71c0dc86309b [0,2,0,0,0,0|2,0,0]=4 8473 B12R0.156 CC[C@H](O)C(=O)NCCC(C)CO 8685698ad1ab17c691c5c7e53cb7fb19 [0,2,0,0,0,0|2,0,0]=4 8474 B12R0.156 CC[C@H](O)C(=O)NCCC(O)CO accb2eb07e5fb9bf9fcb31c89129e8ea [0,2,0,0,0,0|2,0,0]=4 8475 B12R0.156 CC[C@H](O)C(=O)NCC[C@@H](C)CO 0ba67cf438cef62adb19717dc90f41e3 [0,2,0,0,0,0|2,0,0]=4 8476 B12R0.156 CC[C@H](S)C(=O)NCCC(C)CO dc58432cf62d69d235c770ab4a4f3f64 [0,2,0,0,0,0|2,0,0]=4 8477 B12R0.156 CC[C@H](S)C(=O)NCCC(O)CO 147cc32e30138ba1f56c2a0719004d7a [0,2,0,0,0,0|2,0,0]=4 8478 B12R0.156 CC[C@H](S)C(=O)NCC[C@@H](C)CO a7d70c4be12c0fe4b3cefe93497b36ea [0,2,0,0,0,0|2,0,0]=4 8479 B12R0.324 CCC(C)(C)C(=O)OCCOCF b4959a1d8c32d90e32613b69def4e474 [0,2,0,0,0,0|2,0,0]=4 8480 B12R0.324 CCC(F)(F)C(=O)NCCCCCl 18cc121863ffcf852072c3b97f35b1ec [0,2,0,0,0,0|2,0,0]=4 8481 B12R0.324 CCC(F)(F)C(=O)NCCCCO 3a08b6a8a9b00767a940ee5d7f84698f [0,2,0,0,0,0|2,0,0]=4 8482 B12R0.324 CCC(F)(F)C(=O)NCCCCS 2804c6c25b47616648ccb2c7f8610621 [0,2,0,0,0,0|2,0,0]=4 8483 B12R0.324 CCC(F)(F)C(=O)NCCCOC 248cb8fc9beca2107588c6e94ecb1f00 [0,2,0,0,0,0|2,0,0]=4 8484 B12R0.324 CCC(F)(F)C(=O)NCCCSC e58f7fcf4fff089fc4a0887bd053f8d3 [0,2,0,0,0,0|2,0,0]=4 8485 B12R0.324 CCCCCNC(=O)C(F)(F)CC 339d40ed89d904634c386fe28030624f [0,2,0,0,0,0|1,0,0]=3 8486 B12R0.324 CCCCCOC(C)C(C)(C)CC b522c544b9d58096f2c409c31d72bd4c [0,2,0,0,0,0|1,0,1]=4 8487 B12R0.324 CCOCCNC(=O)C(F)(F)CC 8b8f3e6b8f2fee76b9312123703f5936 [0,2,0,0,0,0|2,0,0]=4 8488 B12R0.324 CCOCCOC(=O)C(C)(C)CC d16a37e6e0d5275997d0282e188ba0e4 [0,2,0,0,0,0|1,0,0]=3 8489 B12R0.324 CCSCCNC(=O)C(F)(F)CC 11cc6f878250bef14add0a15d0e85020 [0,2,0,0,0,0|2,0,0]=4 8490 B12R0.54 CCCC(=O)C(=O)NCCC(C)C 80c117f31127e42888087206a3f6ae55 [0,2,0,0,0,0|2,0,0]=4 8491 B12R0.54 CCCC(=O)C(=O)NCCC(C)O 322acc277823e80a025934f322d5a776 [0,2,0,0,0,0|2,0,0]=4 8492 B12R0.54 CCCC(=O)C(=O)NCC[C@@H](C)O 59793354d079ffec2c6c471c19d46857 [0,2,0,0,0,0|2,0,0]=4 8493 B12R0.54 CCCC(=O)C(=O)NCC[C@H](C)O bbef738340f5e10d3ade96583fef06a3 [0,2,0,0,0,0|2,0,0]=4 8494 B12R0.54 CCCC(=O)N(C)CCCN(C)C f15e3615b672f1609eb01434f3b4ee16 [0,2,0,0,0,0|2,0,0]=4 8495 B12R0.54 CCCC(=O)N(C)CCOC(C)C 75ad5931a8f27bd2a77a249273c3b7d9 [0,2,0,0,0,0|2,0,0]=4 8496 B12R0.193 CCCC(=O)C(=O)NCC(C)CC d5ea47a58681836b302c58509fab755f [0,2,0,0,0,0|2,0,0]=4 8497 B12R0.193 CCCC(=O)C(=O)NCC(O)CC fc5be6cb8007805ee4bde7e043828f78 [0,2,0,0,0,0|2,0,0]=4 8498 B12R0.193 CCCC(=O)C(=O)NC[C@@H](C)CC 3ecc388c8511c652b6eb2cc4c75d02f7 [0,2,0,0,0,0|2,0,0]=4 8499 B12R0.193 CCCC(=O)C(=O)NC[C@H](O)CC 25e597260f585a6feeccfc4563442a11 [0,2,0,0,0,0|2,0,0]=4 8500 B12R0.193 CCCC(=O)N(C)CCN(C)CC e48c7c75a17ffeb5787c2075499e48f0 [0,2,0,0,0,0|2,0,0]=4 8501 B12R0.363 CCCC(=O)N(CC)CCCCO 0f457157d074c578de2e1bbf821b15c4 [0,2,0,0,0,0|2,0,0]=4 8502 B12R0.363 CCCC(=O)N(CC)CCCOC eeef169cff0cba1d79d6aed85446648e [0,2,0,0,0,0|2,0,0]=4 8503 B12R0.363 CCCC(=O)N(CC)CCOCC 9d9aa1db099246d8dfb8fbee9e353cfa [0,2,0,0,0,0|2,0,0]=4 8504 B12R0.363 CCCCNC(CC)C(=O)CCC 35f8a26e0b0c1bf18a3712b2f149bcf4 [0,2,0,0,0,0|2,0,0]=4 8505 B12R0.363 CCCCOC(CC)C(=O)CCC 328e61b52f73fdce2e95b3ed35ccda0d [0,2,0,0,0,0|2,0,0]=4 8506 B12R0.203 CCCC(OCCCCF)C(=O)C 89378da8eb385321ab2845da1e3e545d [0,2,0,0,0,0|1,0,1]=4 8507 B12R0.203 CCCC(OCCCCF)C(=O)N f4d6c1490b60320f59bbfe0d60001f4b [0,2,0,0,0,0|1,0,1]=4 8508 B12R0.203 CCCC(OCCCCF)C(=O)O 446d2e2cf52947a86605e11c04d7da51 [0,2,0,0,0,0|1,0,1]=4 8509 B12R0.203 CCCC(OCCCCS)C(=O)C a85e9e15f4cbc3885e321f2285dd9ff6 [0,2,0,0,0,0|1,0,1]=4 8510 B12R0.203 CCCC(OCCCOC)C(=O)C 51cc8dd7ec6df46df80879ca2dc20096 [0,2,0,0,0,0|1,0,1]=4 8511 B12R0.203 CCCC(OCCCOC)C(=O)N 4da6f9b8c2118f7e97b3fcaa5ef93826 [0,2,0,0,0,0|1,0,1]=4 8512 B12R0.203 CCCC(OCCCOC)C(=O)O eb875708aa06eb1dcda9c00e17f46a0a [0,2,0,0,0,0|1,0,1]=4 8513 B12R0.203 CCCC(OCCCSC)C(=O)C c878bc40de6422516192e78593ec7270 [0,2,0,0,0,0|1,0,1]=4 8514 B12R0.203 CCCC(OCCCSC)C(=O)N e4bca79efa31964ea85a4d8cf5a27bb0 [0,2,0,0,0,0|1,0,1]=4 8515 B12R0.203 CCCC(OCCCSC)C(=O)O d42b3aab6a81ca3ad3dbba64ddd48372 [0,2,0,0,0,0|1,0,1]=4 8516 B12R0.203 CCCC(OCCOCC)C(=O)C eb00795df548fb327cfd9a69f6d098ad [0,2,0,0,0,0|1,0,1]=4 8517 B12R0.203 CCCC(OCCOCC)C(=O)N de5a8d9004207f6fd19056aba0bbc84d [0,2,0,0,0,0|1,0,1]=4 8518 B12R0.203 CCCC(OCCOCC)C(=O)O 870865329ef7365f76501a871219e9cd [0,2,0,0,0,0|1,0,1]=4 8519 B12R0.203 CCCC(OCCSCC)C(=O)C fb18907a98efab6d7fce565f9701b830 [0,2,0,0,0,0|1,0,1]=4 8520 B12R0.203 CCCC(OCCSCC)C(=O)N 312c669194e2cc5925fb4e5b32723d4c [0,2,0,0,0,0|1,0,1]=4 8521 B12R0.203 CCCCCNC(CCC)C(=O)C 797dbdd838689235e73772c0b77102fc [0,2,0,0,0,0|1,0,1]=4 8522 B12R0.203 CCCCCNC(CCC)C(=O)O 23a942353acc03ba2dd0bdb4c046a900 [0,2,0,0,0,0|1,0,1]=4 8523 B12R0.203 CCCCCN[C@@H](CCC)C(=O)O eb3cf783b9aa2732ea0c318a375fb449 [0,2,0,0,0,0|1,0,1]=4 8524 B12R0.203 CCCCCN[C@H](CCC)C(=O)O 810f4ab41e4c55f2f6f972343ee521c9 [0,2,0,0,0,0|1,0,1]=4 8525 B12R0.203 CCCCCOC(CCC)C(=O)C 657f67993cf1d1847ec5fc6835f752d7 [0,2,0,0,0,0|0,0,1]=3 8526 B12R0.203 CCCCCOC(CCC)C(=O)N 2f4d9c362dd2281e5e412689da486058 [0,2,0,0,0,0|0,0,1]=3 8527 B12R0.203 CCCCCOC(CCC)C(=O)O 5def778d7344dc68857d2e3499d2966a [0,2,0,0,0,0|0,0,1]=3 8528 B12R0.203 CCCCCOC(CCC)C(C)C ddcbb6d700c72337ed29f07d07aba9f8 [0,2,0,0,0,0|1,0,1]=4 8529 B12R0.203 CCCCCOC(COC)C(=O)O 22b378d8973a493e8c3ede51d1fa6f0a [0,2,0,0,0,0|1,0,1]=4 8530 B12R0.203 CCCCCOC(CSC)C(=O)O 90e586502bd3dc1ef875ce1033c4d9c5 [0,2,0,0,0,0|1,0,1]=4 8531 B12R0.203 CCCCCO[C@@H](CCC)C(=O)O a74a9ea1abb094c54ab25fe059fce2c8 [0,2,0,0,0,0|0,0,1]=3 8532 B12R0.203 CCCCCO[C@H](CCC)C(=O)O 0100c6ef5ad32e0d1559b968ab15f313 [0,2,0,0,0,0|0,0,1]=3 8533 B12R0.203 CCC[C@@H](OCCCCF)C(=O)O a06dd777b43901bf4cd96b501f6f868c [0,2,0,0,0,0|1,0,1]=4 8534 B12R0.203 CCC[C@@H](OCCCOC)C(=O)O dfa830a900d499d976e02f3341b2e1d2 [0,2,0,0,0,0|1,0,1]=4 8535 B12R0.203 CCC[C@@H](OCCCSC)C(=O)O f7dd4138bad21dad683fde6088ffce0f [0,2,0,0,0,0|1,0,1]=4 8536 B12R0.203 CCC[C@@H](OCCOCC)C(=O)O 68aa1f5e2fdf58aa56b514f7dc2ddc57 [0,2,0,0,0,0|1,0,1]=4 8537 B12R0.203 CCC[C@H](OCCCCF)C(=O)O e3c59b525293defc331136afcabb7b82 [0,2,0,0,0,0|1,0,1]=4 8538 B12R0.203 CCC[C@H](OCCCOC)C(=O)O a33d4536b24ac425f807095ec44eebcf [0,2,0,0,0,0|1,0,1]=4 8539 B12R0.203 CCC[C@H](OCCCSC)C(=O)O e7095925093047eb39b7afb6d8178125 [0,2,0,0,0,0|1,0,1]=4 8540 B12R0.203 CCC[C@H](OCCOCC)C(=O)O a3783cc62c58d88739202c81c723b34d [0,2,0,0,0,0|1,0,1]=4 8541 B12R0.205 CCCCCOC(CCC)CCC 58a77c4e6eb8bb5d5fd7e00573c0d674 [0,2,0,0,0,0|1,0,1]=4 8542 B12R0.224 C#CC(CCC)OCCCC(C)C 09b571b7118a40ff9d65dc180e734528 [0,2,0,0,0,0|1,0,1]=4 8543 B12R0.224 C=CC(CCC)OCCCC(C)C da648f9a19301d7a357e018a6e8a76da [0,2,0,0,0,0|1,0,1]=4 8544 B12R0.224 CCCC(C#N)OCCCC(C)C 4934cf9e3f6b3bbb380b0f984df8decd [0,2,0,0,0,0|1,0,1]=4 8545 B12R0.224 CCCC(CC)OCCCC(C)C 0f6b72460dbd7af276527a9fece8e093 [0,2,0,0,0,0|1,0,1]=4 8546 B12R0.224 CCC[C@@H](CC)OCCCC(C)C 220b29316d00a6b550d0395d8e7229bc [0,2,0,0,0,0|1,0,1]=4 8547 B12R0.229 C#CC(CCC)OCCC(C)CC 60ca4b958e1f2e537030d310ddcb380e [0,2,0,0,0,0|1,0,1]=4 8548 B12R0.229 C=CC(CCC)OCCC(C)CC 1982bf6a0f224ef130a3abf77834269e [0,2,0,0,0,0|1,0,1]=4 8549 B12R0.229 CCCC(C#N)OCCC(C)CC 0bb64d51ea06d4cfe3161c734ec13e5a [0,2,0,0,0,0|1,0,1]=4 8550 B12R0.229 CCCC(CC)OCCC(C)CC 5c4696c9062aa19f6bbc0f15706a78d8 [0,2,0,0,0,0|1,0,1]=4 8551 B12R0.229 CCCC(CC)OCCC(S)CC 089d3e87e395becccab12547ce62f5f8 [0,2,0,0,0,0|1,0,1]=4 8552 B12R0.229 CCCC(CC)OCC[C@@H](C)CC 80c7905944403b76892289a2a401a053 [0,2,0,0,0,0|1,0,1]=4 8553 B12R0.229 CCC[C@@H](CC)OCCC(C)CC 072360ce420b1deab6457474090d3d79 [0,2,0,0,0,0|1,0,1]=4 8554 B12R0.265 C#CC(CC)OCOC(=O)CCC 6b379529c21b8d10162ec8645eeb2f6e [0,2,0,0,0,0|1,0,0]=3 8555 B12R0.265 C#CC(CC)OCOC(=O)OCC 17cf758b3de182d163b3e0fb99eb0f64 [0,2,0,0,0,0|2,0,0]=4 8556 B12R0.265 C#CC(CC)OCOC(=O)SCC 3a07ab07302558729434ef5328583286 [0,2,0,0,0,0|2,0,0]=4 8557 B12R0.265 C=CC(CC)OCOC(=O)CCC de790f2eb8c32865688086bf503dea89 [0,2,0,0,0,0|1,0,0]=3 8558 B12R0.265 C=CC(CC)OCOC(=O)OCC fa0aa8b7cffb068f14ea1fcf75a949d0 [0,2,0,0,0,0|2,0,0]=4 8559 B12R0.265 C=CC(CC)OCOC(=O)SCC 6f2017000a25d6d54d0f138aceb7a1bd [0,2,0,0,0,0|2,0,0]=4 8560 B12R0.265 C=C[C@@H](CO)NCOC(=O)CCC 7fb12e6a856d6531acb62d694879bc5e [0,2,0,0,0,0|2,0,0]=4 8561 B12R0.265 CCC(CC)CCNC(=O)CCF 160db127152754e46b3991a2a6ddd9c9 [0,2,0,0,0,0|2,0,0]=4 8562 B12R0.265 CCC(CC)CCNC(=O)CCO 01bc0b21a910894dbd7f41bb8c317e41 [0,2,0,0,0,0|2,0,0]=4 8563 B12R0.265 CCC(CC)CCNC(=O)CCS 9089a5ac3d1e633fcfd005d1a7c34b1b [0,2,0,0,0,0|2,0,0]=4 8564 B12R0.265 CCC(CC)CCNC(=O)COC 61b7fe17ba21b4575046c60e1def9af4 [0,2,0,0,0,0|2,0,0]=4 8565 B12R0.265 CCC(CC)CCNC(=O)CSC 365cbf3d3cfeeaa9a07e59fbe3bfad56 [0,2,0,0,0,0|2,0,0]=4 8566 B12R0.265 CCCC(=O)CNCC(CC)CC e371b9bcb9745b36c6f44c7ab735c648 [0,2,0,0,0,0|2,0,0]=4 8567 B12R0.265 CCCC(=O)CNCC(CC)CO 64bd11a2e8bcdfb2320d6447b0738a5e [0,2,0,0,0,0|2,0,0]=4 8568 B12R0.265 CCCC(=O)COCC(CC)CC e89c7bb385eb9d1a9d7a8e762e12df91 [0,2,0,0,0,0|2,0,0]=4 8569 B12R0.265 CCCC(=O)COCC(CC)OC 6e233643b7b43c653d9f428480e2c6c4 [0,2,0,0,0,0|2,0,0]=4 8570 B12R0.265 CCCC(=O)NCCC(CC)CC 6a60f9c889aa096eb5242ef716e00e9b [0,2,0,0,0,0|1,0,0]=3 8571 B12R0.265 CCCC(=O)NCCC(CO)CO dcc6dfb076e827f8ed05b48e4e074650 [0,2,0,0,0,0|2,0,0]=4 8572 B12R0.265 CCCC(=O)NCCC(OC)OC dc28ea97fd229118fd2e3ee35776e90b [0,2,0,0,0,0|2,0,0]=4 8573 B12R0.265 CCCC(=O)NCCN(CC)CC 63508abde2d8a8d698a26c073e701b29 [0,2,0,0,0,0|2,0,0]=4 8574 B12R0.265 CCCC(=O)OCNC(CC)CC 6143bef6f4db6b3e7d5a18d06ab79ef2 [0,2,0,0,0,0|1,0,0]=3 8575 B12R0.265 CCCC(=O)OCNC(CC)CO a4e293d112fde9c4b82292a5bbf71933 [0,2,0,0,0,0|1,0,0]=3 8576 B12R0.265 CCCC(=O)OCNC(CO)CO d7df1e66d939d9693e85e075b4bc05fa [0,2,0,0,0,0|2,0,0]=4 8577 B12R0.265 CCCC(=O)OCN[C@@H](CC)CO 4cd80d0d22c849ea0e2e54d50049edc3 [0,2,0,0,0,0|1,0,0]=3 8578 B12R0.265 CCCC(=O)OCN[C@H](CC)CO b5ae34e73729612a1418b4e0441f0ac9 [0,2,0,0,0,0|1,0,0]=3 8579 B12R0.265 CCCC(=O)OCOC(CBr)CBr 3e939ac81bcf8cea534c5adf7c74b514 [0,2,0,0,0,0|2,0,0]=4 8580 B12R0.265 CCCC(=O)OCOC(CC)CC 7fa9cfbafc955a018301e9f53c6cb545 [0,2,0,0,0,0|1,0,0]=3 8581 B12R0.265 CCCC(=O)OCOC(CCl)CBr a65bb2951ee0754e741ae1d0128983e2 [0,2,0,0,0,0|2,0,0]=4 8582 B12R0.265 CCCC(=O)OCOC(CCl)CCl 291db14237446e7ddf5a4048f7c7710d [0,2,0,0,0,0|2,0,0]=4 8583 B12R0.265 CCCC(=O)OCOC(CF)CF 8a5749d6f7fa3ab452e53db684ebd0a4 [0,2,0,0,0,0|2,0,0]=4 8584 B12R0.265 CCCC(=O)OCO[C@@H](CCl)CI 2f48a46d9d1026c1767d7fe812e0bc98 [0,2,0,0,0,0|2,0,0]=4 8585 B12R0.265 CCCC(=O)OCO[C@H](CCl)CI 6e241dcc9d704c1f8b2390d515d68547 [0,2,0,0,0,0|2,0,0]=4 8586 B12R0.265 CCCC(=S)OCCC(OC)OC 6b4b60cceccafdc6f56214f3f64d50e7 [0,2,0,0,0,0|1,1,0]=4 8587 B12R0.265 CCOC(=O)OCNC(CC)CC fa9635ca4f0a6091f7c38392fd9f2db8 [0,2,0,0,0,0|2,0,0]=4 8588 B12R0.265 CCOC(=O)OCNC(CC)CO b40b732d37fbef15deb4be8c19c3b9f0 [0,2,0,0,0,0|2,0,0]=4 8589 B12R0.265 CCOC(=O)OCN[C@@H](CC)CO 498643e2c07ecf6b035f5dc435e5bc07 [0,2,0,0,0,0|2,0,0]=4 8590 B12R0.265 CCOC(=O)OCN[C@H](CC)CO 0a3246bcfe91c7c623a9f27fe64ebea4 [0,2,0,0,0,0|2,0,0]=4 8591 B12R0.265 CCOC(=O)OCOC(CC)CC ead9f4f9a988dbc6ae711041c62b3525 [0,2,0,0,0,0|2,0,0]=4 8592 B12R0.265 CCSC(=O)OCNC(CC)CC cd24d341695c092def9d13dbf84e22af [0,2,0,0,0,0|2,0,0]=4 8593 B12R0.265 CCSC(=O)OCNC(CC)CO bf95d730834d13563309f7d60fde4b4e [0,2,0,0,0,0|2,0,0]=4 8594 B12R0.265 CCSC(=O)OCN[C@@H](CC)CO 856ccca3ecccb55bc3a1df63aafaa28b [0,2,0,0,0,0|2,0,0]=4 8595 B12R0.265 CCSC(=O)OCN[C@H](CC)CO 40ae8a5bbc40ab4f5377c3d3423ea3f2 [0,2,0,0,0,0|2,0,0]=4 8596 B12R0.265 CCSC(=O)OCOC(CC)CC 6c294a867b32dc104da37645c30fa882 [0,2,0,0,0,0|2,0,0]=4 8597 B12R0.279 CCCC(=O)CNCC(O)C(C)C 4a056e89ca8fa2e1cf671128a602050d [0,2,0,0,0,0|2,0,0]=4 8598 B12R0.279 CCCC(=O)COCC(C)C(C)C d92b4ebcd4d7458fddd49f0b703b9fb0 [0,2,0,0,0,0|2,0,0]=4 8599 B12R0.279 CCCC(=O)NCCC(C)N(C)C 4792dd40911d9b8b5e9041b387aa1b0a [0,2,0,0,0,0|2,0,0]=4 8600 B12R0.279 CCCC(=O)NCCN(C)C(C)C bbfeb14ec214cd8d415bb75c43dd3bf7 [0,2,0,0,0,0|2,0,0]=4 8601 B12R0.279 CCCC(=O)NCC[C@@H](C)N(C)C a1f062e01def449c3dda27737083c31e [0,2,0,0,0,0|2,0,0]=4 8602 B12R0.279 CCCC(=O)NCC[C@H](C)N(C)C c8fb89d2707d874342d4059c431d130c [0,2,0,0,0,0|2,0,0]=4 8603 B12R0.279 CCCC(=O)OCNC(C)C(C)C 3b061970ce6afc68a2d56aa0abec8972 [0,2,0,0,0,0|1,0,0]=3 8604 B12R0.279 CCCC(=O)OCNC(C)C(C)O 9aabb4760393d20536f507652f5da1ee [0,2,0,0,0,0|1,0,0]=3 8605 B12R0.279 CCCC(=O)OCN[C@@H](C)C(C)C dbcebf2f7382e7fc8a70dc4a679643d9 [0,2,0,0,0,0|1,0,0]=3 8606 B12R0.279 CCCC(=O)OCN[C@@H](C)C(F)F 31964957fa83e86bb6772f7937067518 [0,2,0,0,0,0|2,0,0]=4 8607 B12R0.279 CCCC(=O)OCN[C@H](C)C(C)C 90f5d846dd8d302b7ecfe8497f4aeb2a [0,2,0,0,0,0|1,0,0]=3 8608 B12R0.279 CCCC(=O)OCN[C@H](C)C(F)F e39e06fed154f129e7bcd85c32a25708 [0,2,0,0,0,0|2,0,0]=4 8609 B12R0.279 CCCC(=O)OCOC(C)C(=O)C bf3db0eae2a2cb21c886c9d9bd743000 [0,2,0,0,0,0|1,0,1]=4 8610 B12R0.279 CCCC(=O)OCOC(C)C(C)C c2accffffba48812b19653797f4a8f98 [0,2,0,0,0,0|1,0,0]=3 8611 B12R0.279 CCCC(=O)OCOC(C)C(C)S 59996a49529b8571cbe982419462711b [0,2,0,0,0,0|1,0,0]=3 8612 B12R0.279 CCCC(=O)OCOC(C)C(F)F d528ff80bba628e3f6c00b5a1bff126c [0,2,0,0,0,0|2,0,0]=4 8613 B12R0.279 CCCC(=O)OCO[C@@H](C)C(C)C ff38d091e47a2f2852806d39870bb615 [0,2,0,0,0,0|1,0,0]=3 8614 B12R0.279 CCCC(=O)OCO[C@H](C)C(C)C a870b6cad8f81008965a685726ca8911 [0,2,0,0,0,0|1,0,0]=3 8615 B12R0.279 CCCC(C)OCCC(C)C(C)C 9cf709aeb1c15462901cfff3e2bfea71 [0,2,0,0,0,0|1,0,1]=4 8616 B12R0.279 CCOC(=O)OCNC(C)C(C)C 2a9887d255acf7621ef91505f3ce8378 [0,2,0,0,0,0|2,0,0]=4 8617 B12R0.279 CCOC(=O)OCNC(C)C(C)O 58c2210ff1bc2aee8aeeeb63de96dbf1 [0,2,0,0,0,0|2,0,0]=4 8618 B12R0.279 CCOC(=O)OCN[C@@H](C)C(C)C 27368b86a82510ed2d4f4a7ef819ee61 [0,2,0,0,0,0|2,0,0]=4 8619 B12R0.279 CCOC(=O)OCN[C@H](C)C(C)C 33ff1105ea20fb69bd3790642dee330f [0,2,0,0,0,0|2,0,0]=4 8620 B12R0.279 CCOC(=O)OCOC(C)C(C)C e003ce610ca423f70a6467a9a7c9a4e0 [0,2,0,0,0,0|2,0,0]=4 8621 B12R0.279 CCOC(=O)OCOC(C)C(C)S 08cd656907890a33421b4db7db1e1966 [0,2,0,0,0,0|2,0,0]=4 8622 B12R0.279 CCOC(=O)OCO[C@@H](C)C(C)C 5994cb46e993d19c4da8b5c4aa625342 [0,2,0,0,0,0|2,0,0]=4 8623 B12R0.279 CCOC(=O)OCO[C@H](C)C(C)C 95dd2590d72ad6a4a4f013589930ad43 [0,2,0,0,0,0|2,0,0]=4 8624 B12R0.279 CCSC(=O)OCNC(C)C(C)C ead5513332f2266c6a4934f122e2ee8b [0,2,0,0,0,0|2,0,0]=4 8625 B12R0.279 CCSC(=O)OCNC(C)C(C)O 0b63c1c2a384662d5ceaeafb8ad3a2cb [0,2,0,0,0,0|2,0,0]=4 8626 B12R0.279 CCSC(=O)OCN[C@@H](C)C(C)C 5dd92203432976c105ccaf4663d33fba [0,2,0,0,0,0|2,0,0]=4 8627 B12R0.279 CCSC(=O)OCN[C@H](C)C(C)C a34c20c026109b1faad81f3683676d53 [0,2,0,0,0,0|2,0,0]=4 8628 B12R0.279 CCSC(=O)OCOC(C)C(C)C b6a25bbafc22a27b9f88e1febd2fc979 [0,2,0,0,0,0|2,0,0]=4 8629 B12R0.279 CCSC(=O)OCOC(C)C(C)S 461f12b8eb6f803358fd35493153afcf [0,2,0,0,0,0|2,0,0]=4 8630 B12R0.279 CCSC(=O)OCO[C@@H](C)C(C)C 8430c9212b89ff039804d863ce59fa2e [0,2,0,0,0,0|2,0,0]=4 8631 B12R0.279 CCSC(=O)OCO[C@H](C)C(C)C 518a3b848159c73b04c6b0307c3aeedb [0,2,0,0,0,0|2,0,0]=4 8632 B12R0.573 CCCC(=O)CNCC(C)(C)CC 6849fe5b681f11a96bcac0da16d0c076 [0,2,0,0,0,0|2,0,0]=4 8633 B12R0.573 CCCC(=O)CNCC(C)(O)CC 4b1620e12049fd14e9e45815cd858ead [0,2,0,0,0,0|2,0,0]=4 8634 B12R0.573 CCCC(=O)COCC(F)(F)CC fa967fc86c1a1feb7d935e2435be89c2 [0,2,0,0,0,0|2,0,0]=4 8635 B12R0.573 CCCC(=O)NCCC(C)(C)OC 53345c77d3030d0591276e995e5d08fd [0,2,0,0,0,0|2,0,0]=4 8636 B12R0.573 CCCC(=O)NCCC(F)(F)CO 78dd6a36bd50a922db40d01503278657 [0,2,0,0,0,0|2,0,0]=4 8637 B12R0.573 CCCC(=O)NCCS(=O)(=O)CC 39e546d228d838f96dce26cc71ed79d4 [0,2,0,0,0,0|2,0,0]=4 8638 B12R0.573 CCCC(=O)OCNC(C)(C)CF 1b1ef5105b9db56f4990d91f2df04450 [0,2,0,0,0,0|2,0,0]=4 8639 B12R0.573 CCCC(=O)OCNC(C)(C)CO 690ff5b2e66412a7f4f47c8d7bfd7340 [0,2,0,0,0,0|2,0,0]=4 8640 B12R0.573 CCCC(=S)OCCC(C)(C)CC fd8c6e68adee792e140e3cc68665826a [0,2,0,0,0,0|0,1,0]=3 8641 B12R0.573 CCCC(=S)OCCS(=O)(=O)CC 01f8d1ab2b32225bae40732991ed7ab4 [0,2,0,0,0,0|1,1,0]=4 8642 B12R0.573 CCCC(C)OCCC(C)(C)CC 0fc57d7b29f64efc4fbe10ff324ec3dd [0,2,0,0,0,0|1,0,1]=4 8643 B12R0.573 CCC[C@@H](C)OCCC(C)(C)CC c6a06e93c21b849297cee4f7f464d3b0 [0,2,0,0,0,0|1,0,1]=4 8644 B12R0.573 CCC[C@H](C)OCCC(C)(C)CC 268ebdd2bf0d976a40de1c5938d445fb [0,2,0,0,0,0|1,0,1]=4 8645 B12R0.573 CCSC(=O)OCNC(C)(C)CC 22d714223836602f17cf4f326d885732 [0,2,0,0,0,0|2,0,0]=4 8646 B12R0.72 CC(C)(C)CCCNC(=O)CCF e9d4750133ee36c9bc8ca945bed0de72 [0,2,0,0,0,0|2,0,0]=4 8647 B12R0.72 CC(C)(C)CCCNC(=O)CCO ffbb2c67e92a51c71218d877b69eccfd [0,2,0,0,0,0|2,0,0]=4 8648 B12R0.72 CC(C)(C)CCCNC(=O)CCS fe1c7dbb0258e0ac109a5ea8234ae2d5 [0,2,0,0,0,0|2,0,0]=4 8649 B12R0.72 CC(C)(O)CCCNC(=O)CCF fd600fae38c21bc90ea1566782dd18d6 [0,2,0,0,0,0|2,0,0]=4 8650 B12R0.72 CC(C)(O)CCCNC(=O)CCO e39cce245eb42c3b27df3693b0c38022 [0,2,0,0,0,0|2,0,0]=4 8651 B12R0.72 CC(C)(O)CCCNC(=O)CCS bf7cc11d1feb247314e16699a0829f9d [0,2,0,0,0,0|2,0,0]=4 8652 B12R0.72 CCCC(=O)CNCCC(C)(C)C 6e49dce4b4120b04bc874744dbda8001 [0,2,0,0,0,0|2,0,0]=4 8653 B12R0.72 CCCC(=O)CNCCC(C)(C)F f0724971095ed0e6ae86eb77223606d2 [0,2,0,0,0,0|2,0,0]=4 8654 B12R0.72 CCCC(=O)CNCCC(C)(C)O 518816e6bb13b8a91898d06182d3e717 [0,2,0,0,0,0|2,0,0]=4 8655 B12R0.72 CCCC(=O)COCCC(C)(C)C 7bcafe54e04e7d6da17d1cfb57b85361 [0,2,0,0,0,0|2,0,0]=4 8656 B12R0.72 CCCC(=O)COCCC(C)(C)S c8d0ec0778f711f6f8dbe5d20cc38d85 [0,2,0,0,0,0|2,0,0]=4 8657 B12R0.72 CCCC(=O)COCCC(C)(F)F 2a8b94cb200eb9301b4d02f0fefdcdde [0,2,0,0,0,0|2,0,0]=4 8658 B12R0.72 CCCC(=O)NCCCC(C)(C)C 56b24197ef9b1faa1b574ef8416a9287 [0,2,0,0,0,0|1,0,0]=3 8659 B12R0.72 CCCC(=O)NCCCC(C)(C)O 333acbffe143156fd9fe509d7213535d [0,2,0,0,0,0|1,0,0]=3 8660 B12R0.72 CCCC(=O)NCCCC(F)(F)F a53979851eb337ffde1348dcb874f218 [0,2,0,0,0,0|2,0,0]=4 8661 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 3e8f3c1fe3d927e3a486a0390bf9cd6e [0,2,0,0,0,0|2,0,0]=4 8662 B12R0.72 CCCC(=O)NCCOC(C)(C)C 8fbd9f93a6ceed6bc62bb818e76f4ba5 [0,2,0,0,0,0|2,0,0]=4 8663 B12R0.72 CCCC(=O)NCCSC(C)(C)C 6f11abdb61b8f272bb384f394065295d [0,2,0,0,0,0|2,0,0]=4 8664 B12R0.72 CCCC(=O)OCNCC(C)(C)C 1bd91fd90cb10eff76b0051003f9b40e [0,2,0,0,0,0|1,0,0]=3 8665 B12R0.72 CCCC(=O)OCNCC(C)(C)O d42dc0dad2b7c2555de55bb58d24805e [0,2,0,0,0,0|1,0,0]=3 8666 B12R0.72 CCCC(=O)OCOCC(C)(C)Br 4628c8649c6dea4e22b20c9af959280f [0,2,0,0,0,0|1,0,0]=3 8667 B12R0.72 CCCC(=O)OCOCC(C)(C)C 0a04090c46f5637550ffa0e877525784 [0,2,0,0,0,0|1,0,0]=3 8668 B12R0.72 CCCC(=O)OCOCC(C)(C)S e844084d71c96f0ac723fd171e666a78 [0,2,0,0,0,0|1,0,0]=3 8669 B12R0.72 CCCC(=O)OCOCC(F)(F)Br 91cbeef2d281f9e167697348217633c5 [0,2,0,0,0,0|2,0,0]=4 8670 B12R0.72 CCCC(=S)OCCCC(C)(C)O 01361770761edace9aa7fad01aee9ba9 [0,2,0,0,0,0|0,1,0]=3 8671 B12R0.72 CCCC(=S)OCCCC(C)(F)F b7cbef6122f0628222cf84906f677d5f [0,2,0,0,0,0|0,1,0]=3 8672 B12R0.72 CCCC(=S)OCCCC(F)(F)F e7b51c5e1039d77a6f9021e1b9435aa1 [0,2,0,0,0,0|1,1,0]=4 8673 B12R0.72 CCCC(=S)OCCCS(=O)(=O)C 3142eaef6ab523e0c086454097c3e0db [0,2,0,0,0,0|1,1,0]=4 8674 B12R0.72 CCCC(=S)OCCOC(C)(C)C 28e689bb8ad1411b385f5a825015beff [0,2,0,0,0,0|1,1,0]=4 8675 B12R0.72 CCCC(=S)OCCSC(C)(C)C 45f1d959e97cea2815a8297acfb40e34 [0,2,0,0,0,0|1,1,0]=4 8676 B12R0.72 CCCC(C)OCCCC(C)(C)C 40f767be22fbb561744e7cb6397f6bbe [0,2,0,0,0,0|1,0,1]=4 8677 B12R0.72 CCCC(C)OCCCC(C)(C)O eb2d231ee06273860f24c96ddf2973d7 [0,2,0,0,0,0|1,0,1]=4 8678 B12R0.72 CCCC(C)OCCCC(C)(F)F 41f8ef6f34ff553105a36bc8276c0582 [0,2,0,0,0,0|1,0,1]=4 8679 B12R0.72 CCC[C@@H](C)OCCCC(C)(C)O b45da7ae9b988aefa88b26e31a4aaafb [0,2,0,0,0,0|1,0,1]=4 8680 B12R0.72 CCC[C@@H](C)OCCCC(C)(F)F b6625eac1c1c7c7e1a8b1f205915c4cf [0,2,0,0,0,0|1,0,1]=4 8681 B12R0.72 CCC[C@H](C)OCCCC(C)(C)O f0b630a9b39be12540340c77daec2aac [0,2,0,0,0,0|1,0,1]=4 8682 B12R0.72 CCC[C@H](C)OCCCC(C)(F)F b5fc2ee21249022356b8b2c733d3e912 [0,2,0,0,0,0|1,0,1]=4 8683 B12R0.72 CCOC(=O)OCNCC(C)(C)C 89c204084f5bcf5f8b500532480345be [0,2,0,0,0,0|2,0,0]=4 8684 B12R0.72 CCOC(=O)OCNCC(C)(C)O 9d2b6dd972ad2e0daf265473137f7410 [0,2,0,0,0,0|2,0,0]=4 8685 B12R0.72 CCOC(=O)OCOCC(C)(C)Br 3700201e67b8ea1286cc4749c6e05d95 [0,2,0,0,0,0|2,0,0]=4 8686 B12R0.72 CCOC(=O)OCOCC(C)(C)C f3162a88e0f115a64ab9e91a4cf9f273 [0,2,0,0,0,0|2,0,0]=4 8687 B12R0.72 CCOC(=O)OCOCC(C)(C)F 71f1220d73f8bf522790e976bad42cb3 [0,2,0,0,0,0|2,0,0]=4 8688 B12R0.72 CCOC(=O)OCOCC(C)(C)S 27ae208a9d1ecf93ec7bb250058f9d28 [0,2,0,0,0,0|2,0,0]=4 8689 B12R0.72 CCSC(=O)OCNCC(C)(C)C ef5090143a9f483d9381513b6b849e0a [0,2,0,0,0,0|2,0,0]=4 8690 B12R0.72 CCSC(=O)OCNCC(C)(C)O 295a1e0babca2bd1585c66a7ca7e325a [0,2,0,0,0,0|2,0,0]=4 8691 B12R0.72 CCSC(=O)OCNCC(C)(F)F b6ea0a39098cca854f098604e999ebf2 [0,2,0,0,0,0|2,0,0]=4 8692 B12R0.72 CCSC(=O)OCOCC(C)(C)Br d843687d7f24981300c57f00d74f9acc [0,2,0,0,0,0|2,0,0]=4 8693 B12R0.72 CCSC(=O)OCOCC(C)(C)C ccc4c8a279a30a0ee87561c3452d3b24 [0,2,0,0,0,0|2,0,0]=4 8694 B12R0.72 CCSC(=O)OCOCC(C)(C)F 7b8ae0b21fbb499afd3a2711a500328a [0,2,0,0,0,0|2,0,0]=4 8695 B12R0.72 CCSC(=O)OCOCC(C)(C)S 2214472df0c9827327eb6ed444684681 [0,2,0,0,0,0|2,0,0]=4 8696 B12R0.72 COCC(=O)NCCCC(C)(C)C 9c0600c8e976f944dee8d37aa312f8eb [0,2,0,0,0,0|2,0,0]=4 8697 B12R0.72 COCC(=O)NCCCC(C)(C)O 98a8fc2c72447f4fbbe1efdfa89f55e2 [0,2,0,0,0,0|2,0,0]=4 8698 B12R0.72 CSCC(=O)NCCCC(C)(C)C 8516c92330f3a927fa1f079146bda5d6 [0,2,0,0,0,0|2,0,0]=4 8699 B12R0.72 CSCC(=O)NCCCC(C)(C)O 1d08603b5248aecf8f56eefc5440ad03 [0,2,0,0,0,0|2,0,0]=4 8700 B10R1.10 CCCN1CCCC(=O)C1 7297bca07aecf137a110922d2e01ce93 [1,0,0,1,0,0|1,0,0]=3 8701 B10R1.10 CCCN1CCCC(C1)C 10722657823b505b789ed627a8c61fd8 [1,0,0,1,0,0|2,0,0]=4 8702 B10R1.10 CCCN1CCC[C@@H](C1)C 42accd0af676748aeef95475de04bd47 [1,0,0,1,0,0|2,0,0]=4 8703 B10R1.10 CCCN1CCC[C@H](C1)C 3fdfd8108804c0fcef74b387a8d79dff [1,0,0,1,0,0|2,0,0]=4 8704 B10R1.10 CCCN1CCNC(=O)C1 d8e989a714f7948a3d5167ce4cee8b3b [1,0,0,1,0,0|2,0,0]=4 8705 B10R1.10 CCCN1CCOC(=O)C1 32566a616273931864f84b8dc9e1db89 [1,0,0,1,0,0|2,0,0]=4 8706 B10R1.10 CCNC1CCNC(=O)C1 479099502481b0bb9404cd03f14296cc [1,0,0,1,0,0|2,0,0]=4 8707 B10R1.10 CCN[C@@H]1CCNC(=O)C1 9e0e4a482e7d76c713bd53a977e4018c [1,0,0,1,0,0|2,0,0]=4 8708 B10R1.10 CCN[C@H]1CCNC(=O)C1 8a31d87f498d620fd6d53bbabeec5703 [1,0,0,1,0,0|2,0,0]=4 8709 B10R1.10 CCOC1CCCC(=O)C1 7694e8ef5c808ba4dfd648fc2fdd5673 [1,0,0,1,0,0|1,0,0]=3 8710 B10R1.10 CCOC1CCNC(=O)C1 d6924d66bc2960427a5aa83c3b834b70 [1,0,0,1,0,0|2,0,0]=4 8711 B10R1.10 CCO[C@@H]1CCNC(=O)C1 2becd24c03a17e28797b47c03861b891 [1,0,0,1,0,0|2,0,0]=4 8712 B10R1.10 CCO[C@H]1CCNC(=O)C1 0c306295dc6c1bac8cf8e49e072469f8 [1,0,0,1,0,0|2,0,0]=4 8713 B10R1.10 COCN1CCCC(=O)C1 317af02d006d13a065b06a81b628f169 [1,0,0,1,0,0|2,0,0]=4 8714 B10R1.10 CSCN1CCCC(=O)C1 b21514babe8d2894f6c60bd55dd61e0c [1,0,0,1,0,0|2,0,0]=4 8715 B10R1.10 O=C1CCCC(C1)OCF 3ef4074d9d8cde512776f61233cdd122 [1,0,0,1,0,0|2,0,0]=4 8716 B10R1.10 O=C1CCCN(C1)CCF df6897b009456e691cbb1a32e848f708 [1,0,0,1,0,0|2,0,0]=4 8717 B10R1.10 O=C1CCCN(C1)CCO 6865bbc1bbed842c379aefac569dc87d [1,0,0,1,0,0|2,0,0]=4 8718 B10R1.10 O=C1CCCN(C1)CCS d9f8fccd11178e50e7151700008525ca [1,0,0,1,0,0|2,0,0]=4 8719 B10R1.11 CCCC(=O)N1CCSC1 8dfd5ac124c54a6a084f595d8f226cbf [1,0,0,1,0,0|2,0,0]=4 8720 B10R1.11 CCCN(C)C1CCCC1 0ed89591a94fd8ca3423a47f6a75fa53 [1,0,0,1,0,0|2,0,0]=4 8721 B10R1.21 CCCCOC1CCCC1 d3b2f759259425b9c2ce9a0394e69cde [1,0,0,1,0,0|1,0,1]=4 8722 B10R1.21 CCCCOC1CCCO1 0895124ff10908b56ac50a853beca9be [1,0,0,1,0,0|0,0,2]=4 8723 B10R1.24 CCCCOC1CC(C1)C 46172388f175220efff660177940dadb [1,0,0,1,0,0|1,0,1]=4 8724 B10R1.29 CCCNC1CCCC1=O 92270db65b4e768bf74c060f3ddca1d2 [1,0,0,1,0,0|1,0,0]=3 8725 B10R1.29 CCCNC1CCNC1=O 826c3328fa4dd7dd5dd8c3d568a3408e [1,0,0,1,0,0|2,0,0]=4 8726 B10R1.29 CCCNC1CCSC1=O 2f88eaf0893fc5d79036a5fe5a76847c [1,0,0,1,0,0|2,0,0]=4 8727 B10R1.29 CCCN[C@@H]1CCNC1=O 881bee3ef919f2d395ee9f82cce415b2 [1,0,0,1,0,0|2,0,0]=4 8728 B10R1.29 CCCN[C@@H]1CCOC1=O 093e5b8bf1b7aee96a6d4b18a27dd8a3 [1,0,0,1,0,0|2,0,0]=4 8729 B10R1.29 CCCN[C@H]1CCNC1=O 28513bf65ca36f558ae2e34f11c0860c [1,0,0,1,0,0|2,0,0]=4 8730 B10R1.29 CCCN[C@H]1CCOC1=O 6fb700cd323815a8f11591a44ec6a9ee [1,0,0,1,0,0|2,0,0]=4 8731 B10R1.29 CCCOC1CCCC1=O 6b93fa99d3716532fe6b9fa26488dd4e [1,0,0,1,0,0|1,0,0]=3 8732 B10R1.29 CCCOC1CCNC1=O 53dd243a9f8f1e7eacf3fc4b0133cfbe [1,0,0,1,0,0|2,0,0]=4 8733 B10R1.29 CCCOC1CCOC1=O 81b1a44df3caf13a7904e6e1637022cc [1,0,0,1,0,0|2,0,0]=4 8734 B10R1.29 CCCO[C@@H]1CCNC1=O defea96294aac13f1e3bb47afec7acb5 [1,0,0,1,0,0|2,0,0]=4 8735 B10R1.29 CCCO[C@@H]1CCOC1=O a61cf9ea463c92a0de26354c56c59a42 [1,0,0,1,0,0|2,0,0]=4 8736 B10R1.29 CCCO[C@H]1CCNC1=O 0c65acf6b283fd1270fb0902388bc278 [1,0,0,1,0,0|2,0,0]=4 8737 B10R1.29 CCCO[C@H]1CCOC1=O 0ca8453d27df7ed3deef2a5f6389b306 [1,0,0,1,0,0|2,0,0]=4 8738 B10R1.29 CCNCC1CCNC1=O cfa18f78ea048520c0930de42321c56e [1,0,0,1,0,0|2,0,0]=4 8739 B10R1.29 CCOCC1CCCC1=O 4cec2785468e0a623009b869bd6f12fe [1,0,0,1,0,0|1,0,0]=3 8740 B10R1.29 CCOCC1CCNC1=O a7897437545e0e6eb8d60f714a585f46 [1,0,0,1,0,0|2,0,0]=4 8741 B10R1.29 CCOCN1CCCC1=O f60cc8131648e9114d88fd2170c106e5 [1,0,0,1,0,0|2,0,0]=4 8742 B10R1.29 COCOC1CCCC1=O 99ae3d640fc5b5b82d50a7c2a08dc381 [1,0,0,1,0,0|2,0,0]=4 8743 B10R1.29 CSCOC1CCCC1=O 78c5762b883610ef1d622e4151d61a47 [1,0,0,1,0,0|2,0,0]=4 8744 B10R1.29 O=C1CCCC1COCF 2677f7e38192aa3f9766c71ca7874350 [1,0,0,1,0,0|2,0,0]=4 8745 B10R1.29 O=C1CCCC1NCCBr 290d3c72b0f0ece08be4b88910ed41af [1,0,0,1,0,0|2,0,0]=4 8746 B10R1.29 O=C1CCCC1NCCI bc8f7bd50f547f74fa5fcbb6da0febc5 [1,0,0,1,0,0|2,0,0]=4 8747 B10R1.29 O=C1CCCC1NCCO c0c0b931d9c69710892d72abef2c7869 [1,0,0,1,0,0|2,0,0]=4 8748 B10R1.29 O=C1CCCC1NCCS ced2dcba1c7d80e404bf89a0a611c948 [1,0,0,1,0,0|2,0,0]=4 8749 B10R1.29 O=C1CCCC1OCCF 0174d93134951fe7900bc47f43e53e9e [1,0,0,1,0,0|2,0,0]=4 8750 B10R1.29 O=C1CCCC1OCCS 8c0da7cd7435196cda6a567a58e043c9 [1,0,0,1,0,0|2,0,0]=4 8751 B10R1.85 CCCN1CCCCCC1 c31af73aa7bf6b9621d3ff0411574bf1 [1,0,0,1,0,0|2,0,0]=4 8752 B10R1.92 CCCC1CN(C1)CCC b24fc689e0e4959f4d575f8ec3c22bf3 [1,0,0,1,0,0|2,0,0]=4 8753 B10R1.96 CCCN1CCC(C1)CC 39fc165b999f2b86cbc1fa385cba5929 [1,0,0,1,0,0|2,0,0]=4 8754 B10R1.130 CC1CC(=O)OC1OCF ac6e85627809bc178a13143d54146eb8 [1,0,0,1,0,0|2,0,0]=4 8755 B10R1.130 CCOC1CC(=O)NC1C bf022fe918ca4bc92884991a9ddc28b0 [1,0,0,1,0,0|2,0,0]=4 8756 B10R1.130 CCOC1OC(=O)CC1C 22b073b912a7a81eddef47f0e7d21a3e [1,0,0,1,0,0|1,0,0]=3 8757 B10R1.130 CCO[C@H]1CC(=O)N[C@H]1C 30ce4729af0f1c4b1d21e2ec1b5c2400 [1,0,0,1,0,0|2,0,0]=4 8758 B10R1.136 CC1CC1NC(=O)CCF 8ec1a58ea62a564ecbee3d9c8cb765dc [1,0,0,1,0,0|2,0,0]=4 8759 B10R1.136 CC1CC1NC(=O)CCO 561216ba61ce477c05dfefcfcf00d2c6 [1,0,0,1,0,0|2,0,0]=4 8760 B10R1.136 CC1CC1NC(=O)CCS ae45eb11c914e93c0c158a86e41ce277 [1,0,0,1,0,0|2,0,0]=4 8761 B10R1.136 CCCC(=O)NC1CC1C ee33d40872cf1582a3c6feb3e9e8aed2 [1,0,0,1,0,0|1,0,0]=3 8762 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 095211dfac9049bf9c1e338463eb5e32 [1,0,0,1,0,0|2,0,0]=4 8763 B10R1.136 CCCC(=O)N[C@H]1C[C@@H]1F 13cd51d9078ea1a8fc31f3b62a1eb321 [1,0,0,1,0,0|2,0,0]=4 8764 B10R1.136 CCCC(=O)N[C@H]1C[C@H]1F e547aaa2b2bee2648b09bb96d0029ddc [1,0,0,1,0,0|2,0,0]=4 8765 B10R1.136 COCC(=O)NC1CC1C 92f83d5d1381830a0ab0604683cc36e1 [1,0,0,1,0,0|2,0,0]=4 8766 B10R1.136 CSCC(=O)NC1CC1C ba2cf214c967d40cac19756dcf4eef0c [1,0,0,1,0,0|2,0,0]=4 8767 B10R1.137 CCCC(=O)CN1CCC1 24fe087184be8f9be6e072c76760aca2 [1,0,0,1,0,0|1,0,0]=3 8768 B10R1.137 CCCC(=O)NC1CCC1 b7b9c515753a161abcc35b56dc974d47 [1,0,0,1,0,0|1,0,0]=3 8769 B10R1.137 CCCC(=O)NC1COC1 d9cebcf9c5a1fd910bbc66cad4c36e4f [1,0,0,1,0,0|2,0,0]=4 8770 B10R1.137 CCCC(=S)OC1CCC1 19af20377097808ca4f4afecabaf05f6 [1,0,0,1,0,0|0,1,0]=3 8771 B10R1.137 CCCC(=S)OC1COC1 60d06f8e1a261242dc99ff0636224b61 [1,0,0,1,0,0|1,1,0]=4 8772 B10R1.137 CCCC(C)OC1CCC1 49f9ed9f68fba79800ec0af7aca68f9d [1,0,0,1,0,0|1,0,1]=4 8773 B10R1.137 CCCN(C)CC1CCC1 98ae063296f87529ad57907f7d59468c [1,0,0,1,0,0|2,0,0]=4 8774 B10R1.137 CCC[C@@H](C)OC1CCC1 e403969b5729f20c9ca50aaa8f611c74 [1,0,0,1,0,0|1,0,1]=4 8775 B10R1.137 CCC[C@H](C)OC1CCC1 65784cdf0cea1a3b9c66fe7db47426a7 [1,0,0,1,0,0|1,0,1]=4 8776 B10R1.137 CCNC(=O)CN1CCC1 987ec787996776ffddf4a842a7579e35 [1,0,0,1,0,0|2,0,0]=4 8777 B10R1.137 CCOC(=O)CN1CCC1 c356c472b4a85b80a43b305b1358afd7 [1,0,0,1,0,0|2,0,0]=4 8778 B10R1.137 COCC(=O)NC1CCC1 021cc1760cef5fbbfdeea6c17d703021 [1,0,0,1,0,0|2,0,0]=4 8779 B10R1.137 CSCC(=O)NC1CCC1 7f7f08cd00dd009f2edce9608a21d002 [1,0,0,1,0,0|2,0,0]=4 8780 B10R1.137 O=C(CCF)NC1CCC1 6a895cb18deb8c45ebd3576b4b8e2b9a [1,0,0,1,0,0|2,0,0]=4 8781 B10R1.137 O=C(CCO)NC1CCC1 772bb70e8d7bbf8b62dfee48a2a3fc26 [1,0,0,1,0,0|2,0,0]=4 8782 B10R1.137 O=C(CCS)NC1CCC1 d9e451254376543d56ee834335d68a4b [1,0,0,1,0,0|2,0,0]=4 8783 B10R1.138 CCCC(=O)CNC1CC1 048d80387365d525195329babc27cce2 [1,0,0,1,0,0|1,0,0]=3 8784 B10R1.138 CCCC(=O)COC1CC1 438c7e34265a771a1084b127eefcabef [1,0,0,1,0,0|1,0,0]=3 8785 B10R1.138 CCCC(=O)NCC1CC1 69d46f73451a9cbf30af6f8f9e8feabc [1,0,0,1,0,0|1,0,0]=3 8786 B10R1.138 CCCC(=S)OCC1CC1 bbbadc8ebd81785f951589f1e9964807 [1,0,0,1,0,0|0,1,0]=3 8787 B10R1.138 CCCC(C)OCC1CC1 83106f88842b04c9c115e2cb921248bb [1,0,0,1,0,0|1,0,1]=4 8788 B10R1.138 CCCN(C)CCC1CC1 753b945c4335c9bcb246db5dd9addf66 [1,0,0,1,0,0|2,0,0]=4 8789 B10R1.138 CCC[C@@H](C)OCC1CC1 4e6dd22b0adf2dbd96835953d1b6b62c [1,0,0,1,0,0|1,0,1]=4 8790 B10R1.138 CCC[C@H](C)OCC1CC1 44d7ec6ef7a19cc6239949812f912fe4 [1,0,0,1,0,0|1,0,1]=4 8791 B10R1.138 CCNC(=O)CNC1CC1 bc8edd81f7045a2f9026adb22247a950 [1,0,0,1,0,0|2,0,0]=4 8792 B10R1.138 CCNC(=O)COC1CC1 319db39c794f5dd3740d89c7fd70cf52 [1,0,0,1,0,0|2,0,0]=4 8793 B10R1.138 CCOC(=O)CNC1CC1 f3927a7d3f33585867572e3ed85ec01b [1,0,0,1,0,0|2,0,0]=4 8794 B10R1.138 CCOC(=O)COC1CC1 27471410ec76d5e06beb747365918ac2 [1,0,0,1,0,0|2,0,0]=4 8795 B10R1.138 COCC(=O)CNC1CC1 7c852995be0fab6c6f04d5fad6817f98 [1,0,0,1,0,0|2,0,0]=4 8796 B10R1.138 COCC(=O)COC1CC1 1a0e4c36f1d154965565d207389e2045 [1,0,0,1,0,0|2,0,0]=4 8797 B10R1.138 COCC(=O)NCC1CC1 0cb863726a4cfb3f0d4077678e060c57 [1,0,0,1,0,0|2,0,0]=4 8798 B10R1.138 CSCC(=O)NCC1CC1 31c2e420572cb2c01592fbcc2f0785c6 [1,0,0,1,0,0|2,0,0]=4 8799 B10R1.138 O=C(CCF)NCC1CC1 e46f90bf74e57e315aa36dc9b5c200cc [1,0,0,1,0,0|2,0,0]=4 8800 B10R1.138 O=C(CCO)NCC1CC1 597cdf2a4a9a6bb1f280933977cf8ad5 [1,0,0,1,0,0|2,0,0]=4 8801 B10R1.138 O=C(CCS)NCC1CC1 4e5f728b0304c384365749f290226aca [1,0,0,1,0,0|2,0,0]=4 8802 B10R1.186 CCCCCN(C)C1CC1 652e3083e514a8b067154a46c321be50 [1,0,0,1,0,0|2,0,0]=4 8803 B10R1.186 CCCCOC(C)C1CC1 0edf255b71499ff21caa95b06bc6f048 [1,0,0,1,0,0|1,0,1]=4 8804 B10R1.186 CCCCO[C@@H](C)C1CC1 5714623b0775045bd8bb78334c8add2f [1,0,0,1,0,0|1,0,1]=4 8805 B10R1.186 CCCCO[C@H](C)C1CC1 06fef1180c01d8ce8e0dac9bd42ee881 [1,0,0,1,0,0|1,0,1]=4 8806 B10R1.186 CCCNCC(=O)C1CC1 58e5e8e925a365c978dc73e48d014f51 [1,0,0,1,0,0|1,0,0]=3 8807 B10R1.186 CCCOCC(=O)C1CC1 efdba3cbc9d794b929d4839adbce022d [1,0,0,1,0,0|1,0,0]=3 8808 B10R1.186 COCOCC(=O)C1CC1 57efd6a0ce6358596807f46dbc4dca83 [1,0,0,1,0,0|2,0,0]=4 8809 B10R1.186 CSCOCC(=O)C1CC1 8ded75b352070b6d2998f03d95b55a80 [1,0,0,1,0,0|2,0,0]=4 8810 B10R1.186 O=C(CNCCBr)C1CC1 f304296937bcc495c045fd206c0025d2 [1,0,0,1,0,0|2,0,0]=4 8811 B10R1.186 O=C(CNCCF)C1CC1 1cf995b18dd01b8fbaa5ded6bec662bf [1,0,0,1,0,0|2,0,0]=4 8812 B10R1.186 O=C(CNCCI)C1CC1 a2a9fb5900ad9c1b366fbc09aa2d1105 [1,0,0,1,0,0|2,0,0]=4 8813 B10R1.186 O=C(CNCCO)C1CC1 4706609f0ede4cf476847ff112e0a069 [1,0,0,1,0,0|2,0,0]=4 8814 B10R1.186 O=C(CNCCS)C1CC1 922d306a524f31788b297f4f940abbb6 [1,0,0,1,0,0|2,0,0]=4 8815 B10R1.186 O=C(COCCF)C1CC1 76a74a3cf13e1b48a36fe06a1f7d2796 [1,0,0,1,0,0|2,0,0]=4 8816 B10R1.186 O=C(COCCS)C1CC1 08ad02ce2022050c60a0a08179dcb281 [1,0,0,1,0,0|2,0,0]=4 8817 B10R1.197 CCN1CCCC(=O)CC1 43ab575eb7387d1676c90286c1ea0c74 [1,0,0,1,0,0|1,0,0]=3 8818 B10R1.197 CCN1CCNC(=O)CC1 c00fc63757fc4a565477a63f60a2605b [1,0,0,1,0,0|2,0,0]=4 8819 B10R1.197 O=C1CCCN(CC1)CF 7556829700c0b08f447855e4809ddc05 [1,0,0,1,0,0|2,0,0]=4 8820 B10R1.197 O=C1CCCN(CC1)CO 0872ce793b88f95873340dc0aee0cac1 [1,0,0,1,0,0|2,0,0]=4 8821 B10R1.4 CCCN1CCCCC1C bdc6e8422b58dd326d4151761637d82d [1,0,0,1,0,0|2,0,0]=4 8822 B10R1.4 CCCN1CCCC[C@@H]1C e674818f97cf21d2600e58825cdceba4 [1,0,0,1,0,0|2,0,0]=4 8823 B10R1.4 CCCN1CCCC[C@H]1C b5aa37ae186f5be059735f960df5a255 [1,0,0,1,0,0|2,0,0]=4 8824 B10R1.5 CCCN1CCCC1CC b4b0b71eb87b0e5c5b11c4f43e6364dd [1,0,0,1,0,0|2,0,0]=4 8825 B10R1.5 CCCN1CCC[C@H]1CC 164c574647f66fa76056c22fa9f81e14 [1,0,0,1,0,0|2,0,0]=4 8826 B10R1.12 CCCCN1CCC1CC 77c853fd321136b7c9e7a8ba4faf6b9c [1,0,0,1,0,0|1,0,1]=4 8827 B10R1.17 CCCNC1C=CCCC1 291d099b2509778f318df5426b4e0bed [1,0,0,1,0,0|2,0,0]=4 8828 B10R1.17 CCCNC1CCCCC1 116c9b71b1a196b91e387ed3e22d47e2 [1,0,0,1,0,0|2,0,0]=4 8829 B10R1.17 CCCNC1CCCCO1 d5cdd6ff4e5f99587ff93dbd645a16ce [1,0,0,1,0,0|1,0,1]=4 8830 B10R1.17 CCCOC1C=CCCC1 8a5934bb17746f6e7e093c3a84d62178 [1,0,0,1,0,0|2,0,0]=4 8831 B10R1.17 CCCOC1CCCCC1 a5977ebc84c522370a3bc5745fd0df69 [1,0,0,1,0,0|2,0,0]=4 8832 B10R1.17 CCCOC1CCCCO1 e032b365203d5e61206393eed2791d41 [1,0,0,1,0,0|1,0,1]=4 8833 B10R1.17 CCNCC1CCCCO1 4769074ed8ad458ec27c7c6c33011cb9 [1,0,0,1,0,0|1,0,1]=4 8834 B10R1.17 CCOCC1CCC=CO1 ee16d3c61c75f3ae2eed226b89bc383b [1,0,0,1,0,0|1,0,1]=4 8835 B10R1.17 CCOCC1CCCCO1 70b872ce90931f873adb4dae986b77a3 [1,0,0,1,0,0|1,0,1]=4 8836 B10R1.17 CCOC[C@@H]1CCCCO1 82c130a20690fc6ae68b7469dbf8abb1 [1,0,0,1,0,0|1,0,1]=4 8837 B10R1.17 CCOC[C@H]1CCCCO1 737be79825146caaab66eb293128d258 [1,0,0,1,0,0|1,0,1]=4 8838 B10R1.20 CCC1COCCN1CC 487ce437f5ed039694e93c3fbfcc155f [1,0,0,1,0,0|1,0,1]=4 8839 B10R1.20 CC[C@@H]1COCCN1CC 6803ef8278fe4ace5d930ddd06da6828 [1,0,0,1,0,0|1,0,1]=4 8840 B10R1.20 CC[C@H]1COCCN1CC 1d3e5bfa7fcc3fca3b7310353e9d399d [1,0,0,1,0,0|1,0,1]=4 8841 B10R1.37 CCCCN[C@@H]1CC[C@H]1C 03586e5023e37af0f65660ae51b966b4 [1,0,0,1,0,0|1,0,1]=4 8842 B10R1.37 CCCCN[C@H]1CC[C@H]1C 35fbf4a27f4eee1a45186737a97871a9 [1,0,0,1,0,0|1,0,1]=4 8843 B10R1.37 CCCCOC1COC1C 7e82e8030d5d9c938aaf11f6975d8434 [1,0,0,1,0,0|1,0,1]=4 8844 B10R1.56 CC1CC1COCCCF 64607611a92bef51919bed92743a0954 [1,0,0,1,0,0|1,0,1]=4 8845 B10R1.56 CC1CC1COCCCS 6fad5cfa4cd1e1eeeccc31d20f944b8b [1,0,0,1,0,0|1,0,1]=4 8846 B10R1.56 CCCCCNC1CC1C c5ac0064d3aa8f0cf62cda7dc95367eb [1,0,0,1,0,0|1,0,1]=4 8847 B10R1.56 CCCCOCC1CC1C 76dca24a45b0211a32b89fd0da7d3d49 [1,0,0,1,0,0|0,0,1]=3 8848 B10R1.56 CCCCOC[C@@H]1C[C@@H]1C 3d265a80cae5744f6b90eee155c1997f [1,0,0,1,0,0|0,0,1]=3 8849 B10R1.56 CCCCOC[C@@H]1C[C@@H]1F d30e3d89239f0bd84919e06256d74fe2 [1,0,0,1,0,0|1,0,1]=4 8850 B10R1.56 CCCCOC[C@@H]1C[C@H]1C b5a95c5a449f0e8559d0b59df572755a [1,0,0,1,0,0|0,0,1]=3 8851 B10R1.56 CCCCOC[C@@H]1C[C@H]1F 191b6e168d8e4dbaaf1040a0e908a372 [1,0,0,1,0,0|1,0,1]=4 8852 B10R1.56 CCCCOC[C@H]1C[C@@H]1C b5c4a716f2aeb88529724d8ef1b39cb0 [1,0,0,1,0,0|0,0,1]=3 8853 B10R1.56 CCCCOC[C@H]1C[C@@H]1F 8f817d281efff73883558cb492e35e79 [1,0,0,1,0,0|1,0,1]=4 8854 B10R1.56 CCCCOC[C@H]1C[C@H]1F 680d4b82e044e57b90b8d25359c50c36 [1,0,0,1,0,0|1,0,1]=4 8855 B10R1.56 CCOCOCC1CC1C 2977c25e2bb0d1ecc4f67f62947e30b0 [1,0,0,1,0,0|1,0,1]=4 8856 B10R1.56 CCOCOC[C@@H]1C[C@@H]1C 0cfe7cc689a92518db6e34ca4f2cf990 [1,0,0,1,0,0|1,0,1]=4 8857 B10R1.56 CCOCOC[C@@H]1C[C@H]1C 1d6d9fe03a3e94765eb457c2bd65c0f3 [1,0,0,1,0,0|1,0,1]=4 8858 B10R1.56 CCOCOC[C@H]1C[C@@H]1C baecefb1e9034f35fe8d5a39ac82825f [1,0,0,1,0,0|1,0,1]=4 8859 B10R1.56 COCCOCC1CC1C ed3be569db03409a8da41c9fbed7fd38 [1,0,0,1,0,0|1,0,1]=4 8860 B10R1.56 COCCOC[C@@H]1C[C@@H]1C f6727809291d634cd1677dba8489dbbe [1,0,0,1,0,0|1,0,1]=4 8861 B10R1.56 COCCOC[C@@H]1C[C@H]1C 7d2d3d856247d49bf71a411626363084 [1,0,0,1,0,0|1,0,1]=4 8862 B10R1.56 COCCOC[C@H]1C[C@@H]1C e1c537fecd316a06f59bfe75bcca2ab1 [1,0,0,1,0,0|1,0,1]=4 8863 B10R1.56 CSCCOCC1CC1C 831a6bcacba03e5173545ae568320e5f [1,0,0,1,0,0|1,0,1]=4 8864 B10R1.56 CSCCOC[C@@H]1C[C@@H]1C 738f7d734fad4117f60e5605c73ac13e [1,0,0,1,0,0|1,0,1]=4 8865 B10R1.56 CSCCOC[C@@H]1C[C@H]1C e54a62f240f7579a47384db39fb6b867 [1,0,0,1,0,0|1,0,1]=4 8866 B10R1.56 CSCCOC[C@H]1C[C@@H]1C ab831ea7ad350b8104f05441ee071a5d [1,0,0,1,0,0|1,0,1]=4 8867 B10R1.56 C[C@@H]1C[C@H]1COCCCF 2f5699fed17e2512a7e9ef4e3f3b8529 [1,0,0,1,0,0|1,0,1]=4 8868 B10R1.56 C[C@@H]1C[C@H]1COCCCS de73439ee68fa1f6b7a46653a7d18a61 [1,0,0,1,0,0|1,0,1]=4 8869 B10R1.56 C[C@H]1C[C@@H]1COCCCF e612ed25c32733638e74cd72e6791ec8 [1,0,0,1,0,0|1,0,1]=4 8870 B10R1.56 C[C@H]1C[C@@H]1COCCCS ad5dc82e3f89013ddab98758ee3f9c55 [1,0,0,1,0,0|1,0,1]=4 8871 B10R1.56 C[C@H]1C[C@H]1COCCCF fbe82e5336a20d4c74586c234f0dcbdd [1,0,0,1,0,0|1,0,1]=4 8872 B10R1.56 C[C@H]1C[C@H]1COCCCS f0e80629a019cfda7a3f2dba15aa75d0 [1,0,0,1,0,0|1,0,1]=4 8873 B10R1.57 CCC/C=C/CN1CCC1 5313d1bb52c3fb704ee65287dd02cef8 [1,0,0,1,0,0|2,0,0]=4 8874 B10R1.57 CCC/C=C\CN1CCC1 af2b2567868c83d06a48f3b4ddef0c6c [1,0,0,1,0,0|2,0,0]=4 8875 B10R1.57 CCCCCCN1CCC1 24f62fbe257d33928ef7858f5b1507f5 [1,0,0,1,0,0|2,0,0]=4 8876 B10R1.57 CCCCCNC1CCC1 28480527ffd8e6cfb2715857f45f5b7a [1,0,0,1,0,0|1,0,1]=4 8877 B10R1.57 CCCCCOC1CCC1 3dce260891d9b053b1d353f59c75b3f5 [1,0,0,1,0,0|0,0,1]=3 8878 B10R1.57 CCCCCOC1COC1 96c067d87e3723d95eeb52a6410f8aea [1,0,0,1,0,0|1,0,1]=4 8879 B10R1.57 CCCCCOC1CSC1 dd53ee5b18bbc75c75e5a10e1007e1b7 [1,0,0,1,0,0|1,0,1]=4 8880 B10R1.57 CCCCNCC1CCC1 ed82d5554de84453073bf2aad874c9dc [1,0,0,1,0,0|1,0,1]=4 8881 B10R1.57 CCCCOCC1CCC1 5b12e9583ebc250a12846b15aad69667 [1,0,0,1,0,0|0,0,1]=3 8882 B10R1.57 CCCCOCC1CCO1 f8cef19a2e61f852bf153a22ccacdf9c [1,0,0,1,0,0|1,0,1]=4 8883 B10R1.57 CCCCOCC1COC1 5dfc27ba5ec269619f51601e95c81778 [1,0,0,1,0,0|1,0,1]=4 8884 B10R1.57 CCCCOCC1CSC1 cd59ab857b28380daa2f5f68fe9a102a [1,0,0,1,0,0|1,0,1]=4 8885 B10R1.57 CCCCOCN1CCC1 e30042389d97f8391dc6ee5ef68f3893 [1,0,0,1,0,0|1,0,1]=4 8886 B10R1.57 CCCCOC[C@@H]1CCO1 820aa780ac9234a310f0730f68d7339a [1,0,0,1,0,0|1,0,1]=4 8887 B10R1.57 CCCCOC[C@H]1CCO1 d16c81773626e910a6cc9c64ed41fd62 [1,0,0,1,0,0|1,0,1]=4 8888 B10R1.57 CCCNCCC1CCC1 821cbc3d0f3452bcc144b54501230d23 [1,0,0,1,0,0|2,0,0]=4 8889 B10R1.57 CCCOCCC1CCC1 27d4ec58adb426de0fb4e6f9d28b96df [1,0,0,1,0,0|2,0,0]=4 8890 B10R1.57 CCOCCOC1CCC1 afdcc9e0cdc2915930bbf40e1cfa732d [1,0,0,1,0,0|1,0,1]=4 8891 B10R1.57 CCOCOCC1CCC1 13743f55b6e399e0724c3030b2f18a8a [1,0,0,1,0,0|1,0,1]=4 8892 B10R1.57 CCSCCOC1CCC1 6b91dccf96e5e0d599fb552e1f51fb34 [1,0,0,1,0,0|1,0,1]=4 8893 B10R1.57 COCCCOC1CCC1 806b2787e82e53dfffda28f417af3e10 [1,0,0,1,0,0|1,0,1]=4 8894 B10R1.57 COCCOCC1CCC1 9fc8e6124d847c629dcc2164b1082957 [1,0,0,1,0,0|1,0,1]=4 8895 B10R1.57 CSCCCOC1CCC1 81ffc53009d3cc08cdd7f0dde24686fa [1,0,0,1,0,0|1,0,1]=4 8896 B10R1.57 CSCCOCC1CCC1 68e6761ca9a5e438026b951b005fd758 [1,0,0,1,0,0|1,0,1]=4 8897 B10R1.57 FCCCCOC1CCC1 8d7c286f815e73b4147ef90f56996442 [1,0,0,1,0,0|1,0,1]=4 8898 B10R1.57 FCCCOCC1CCC1 1b4877a31322ecb28657d4394368a27b [1,0,0,1,0,0|1,0,1]=4 8899 B10R1.57 SCCCCOC1CCC1 54cc8e4dafa4f2d212a4f82ab98e96e6 [1,0,0,1,0,0|1,0,1]=4 8900 B10R1.57 SCCCOCC1CCC1 a7c8fef36c39577cfad857bd3c5a850a [1,0,0,1,0,0|1,0,1]=4 8901 B10R1.177 CCC/C=C/CNC1CC1 edb58d59572674cb67aefb973557902b [1,0,0,1,0,0|2,0,0]=4 8902 B10R1.177 CCC/C=C/COC1CC1 382f23974dd20a1518d1f00f5271a1ab [1,0,0,1,0,0|2,0,0]=4 8903 B10R1.177 CCC/C=C\CNC1CC1 c2380d1bc1589aa650cdc38b2c2b9d7a [1,0,0,1,0,0|2,0,0]=4 8904 B10R1.177 CCC/C=C\COC1CC1 1d9efd858c0dc4ab1aa7d3712bee0f52 [1,0,0,1,0,0|2,0,0]=4 8905 B10R1.177 CCCCCCNC1CC1 15262c9b6550fe6d109c4c2cb7eeb757 [1,0,0,1,0,0|2,0,0]=4 8906 B10R1.177 CCCCCCOC1CC1 b55afc5464381312d620e6cbb95bdd86 [1,0,0,1,0,0|2,0,0]=4 8907 B10R1.177 CCCCCNCC1CC1 34d61cada598947f49b9ab85a2931c34 [1,0,0,1,0,0|1,0,1]=4 8908 B10R1.177 CCCCCOCC1CC1 29148006b57e8432404409499e87f3fd [1,0,0,1,0,0|0,0,1]=3 8909 B10R1.177 CCCCNCCC1CC1 158c02666a48abc7fe9ea46078bf1036 [1,0,0,1,0,0|1,0,1]=4 8910 B10R1.177 CCCCOCCC1CC1 ec58c6ee84426d7d0244452963d49311 [1,0,0,1,0,0|0,0,1]=3 8911 B10R1.177 CCCCOCCN1CC1 093ed7f947f21cbf0dd40339577c9b40 [1,0,0,1,0,0|1,0,1]=4 8912 B10R1.177 CCCCOCNC1CC1 ec662359ae6cef349af3aec163fa6c48 [1,0,0,1,0,0|1,0,1]=4 8913 B10R1.177 CCCCOCOC1CC1 ceec6acd9a089fc281edfe61886983a1 [1,0,0,1,0,0|1,0,1]=4 8914 B10R1.177 CCCOC/C=C/C1CC1 f1a04d2684a151cba0b084c72b434f40 [1,0,0,1,0,0|2,0,0]=4 8915 B10R1.177 CCCOCCCC1CC1 e0007007b99d583354fd403d2e374709 [1,0,0,1,0,0|2,0,0]=4 8916 B10R1.177 CCOCCOCC1CC1 59f989e16597392918162b4f6cec0359 [1,0,0,1,0,0|1,0,1]=4 8917 B10R1.177 CCOCOCCC1CC1 65a53cb45bb91d38b082664ecccc2d23 [1,0,0,1,0,0|1,0,1]=4 8918 B10R1.177 CCSCCOCC1CC1 704c8bae2c68d35c7274426d40d11731 [1,0,0,1,0,0|1,0,1]=4 8919 B10R1.177 COCCCOCC1CC1 5aa4ee64de78b1942faeb030692508d8 [1,0,0,1,0,0|1,0,1]=4 8920 B10R1.177 COCCOCCC1CC1 ca1d81a50912319f0beabc602e6f3bdf [1,0,0,1,0,0|1,0,1]=4 8921 B10R1.177 CSCCCOCC1CC1 38a6e7e98a15124fbdbe34b751d7716b [1,0,0,1,0,0|1,0,1]=4 8922 B10R1.177 CSCCOCCC1CC1 ea069ac9238784ad28902bf4c2ec63e8 [1,0,0,1,0,0|1,0,1]=4 8923 B10R1.177 FCCCCOCC1CC1 6824e70c0edbe9df8e0a3538014d6877 [1,0,0,1,0,0|1,0,1]=4 8924 B10R1.177 FCCCOCCC1CC1 d5ec878639c24d78883dba584ee94035 [1,0,0,1,0,0|1,0,1]=4 8925 B10R1.177 SCCCCOCC1CC1 76f5cc22a50518b0037c53edf181dd22 [1,0,0,1,0,0|1,0,1]=4 8926 B10R1.177 SCCCOCCC1CC1 602c8aa830392eec0f4b645f316ac81f [1,0,0,1,0,0|1,0,1]=4 8927 B10R1.1 CCNC1CCC(=O)NC1 e3f14e328a85b0d8d9acfadf4252f173 [1,0,0,1,0,0|2,0,0]=4 8928 B10R1.1 CCN[C@@H]1CCC(=O)NC1 62cc5a0293c2362f08dace0840c8347c [1,0,0,1,0,0|2,0,0]=4 8929 B10R1.1 CCN[C@H]1CCC(=O)NC1 05f5c81c267626e2d5daa14fa8ca4b88 [1,0,0,1,0,0|2,0,0]=4 8930 B10R1.1 CCOC1CCC(=O)CC1 d1d3f9318a82ae97f7b95eef0a713ebb [1,0,0,1,0,0|2,0,0]=4 8931 B10R1.1 CCOC1CCC(=O)NC1 3dfc00b9b98d49ff67cc2f754b359401 [1,0,0,1,0,0|2,0,0]=4 8932 B10R1.1 CCOC1CCC(=O)OC1 e60ba9c5652dbbf54ee2fca7f59aa295 [1,0,0,1,0,0|1,0,0]=3 8933 B10R1.1 CCO[C@@H]1CCC(=O)NC1 6cec2402da889a24cc73ec51bdffdb78 [1,0,0,1,0,0|2,0,0]=4 8934 B10R1.1 CCO[C@H]1CCC(=O)NC1 c59ded9c23d8bfa6dbc41b3fef3ebf77 [1,0,0,1,0,0|2,0,0]=4 8935 B10R1.1 O=C1CCC(CO1)OCF 2ede05c50c96239faa2b18b61385a030 [1,0,0,1,0,0|2,0,0]=4 8936 B10R1.2 CCN1CCNC(=O)C1C 1949861d0793b6b8ae03ec2b2a69e898 [1,0,0,1,0,0|2,0,0]=4 8937 B10R1.2 CCN1CCNC(=O)[C@@H]1C c4a51bd1554d96874590f7d4cc1487c6 [1,0,0,1,0,0|2,0,0]=4 8938 B10R1.2 CCN1CCNC(=O)[C@H]1C bcec31f94ef37df55f250b70fe9271ce [1,0,0,1,0,0|2,0,0]=4 8939 B10R1.15 CCC(=O)N1CCCOC1 96531c558ca709f691b0e55973e88e70 [1,0,0,1,0,0|2,0,0]=4 8940 B10R1.15 CCC(=O)N1CCCSC1 10bc3dacdab4b790e4e7d1ee4538d6eb [1,0,0,1,0,0|2,0,0]=4 8941 B10R1.15 CCC(=O)N1CCOCC1 477b669b73e39a98f4d642d4d36c2fdd [1,0,0,1,0,0|2,0,0]=4 8942 B10R1.15 CCC(=O)N1CCSCC1 5d334e0a0686d85499e917a6d48e5da6 [1,0,0,1,0,0|2,0,0]=4 8943 B10R1.16 CCCOC1CCC(=O)C1 0118665d271ddbcc63e9ba5f111fa1f6 [1,0,0,1,0,0|2,0,0]=4 8944 B10R1.16 CCNCC1CCC(=O)N1 b2d4e2d5e4524f1edb7bc0ead8723922 [1,0,0,1,0,0|2,0,0]=4 8945 B10R1.16 CCNC[C@@H]1CCC(=O)N1 0c12878ef047aa579a235990ce95252d [1,0,0,1,0,0|2,0,0]=4 8946 B10R1.16 CCNC[C@H]1CCC(=O)N1 7bf56d86ba2fc8887a82e9543391075b [1,0,0,1,0,0|2,0,0]=4 8947 B10R1.16 CCOCC1CCC(=O)C1 b2309fa8aecb08cd924e47f5abc4efec [1,0,0,1,0,0|2,0,0]=4 8948 B10R1.16 CCOCC1CCC(=O)N1 284faa06f6b7af7d2360d6923bd2c548 [1,0,0,1,0,0|2,0,0]=4 8949 B10R1.16 CCOCC1CCC(=O)O1 68878c40f0d88997c0eac48c9395a889 [1,0,0,1,0,0|1,0,0]=3 8950 B10R1.16 CCOC[C@@H]1CCC(=O)C1 886f2aa7068de127dafbb03846e349d5 [1,0,0,1,0,0|2,0,0]=4 8951 B10R1.16 CCOC[C@@H]1CCC(=O)N1 8fb17a976e393d6121213afd4ad838e4 [1,0,0,1,0,0|2,0,0]=4 8952 B10R1.16 CCOC[C@@H]1CCC(=O)O1 fa116338e507c856f655864f1fa338d4 [1,0,0,1,0,0|1,0,0]=3 8953 B10R1.16 CCOC[C@H]1CCC(=O)N1 c8b2e4099128fd5dbf4dcb633abb5f4e [1,0,0,1,0,0|2,0,0]=4 8954 B10R1.16 CCOC[C@H]1CCC(=O)O1 5ea62a9b88a47b06d381abba60ed3ed7 [1,0,0,1,0,0|1,0,0]=3 8955 B10R1.16 O=C1CCC(O1)COCF 2ce7db809de6e3f2be92a0e8ec92a43d [1,0,0,1,0,0|2,0,0]=4 8956 B10R1.16 O=C1CC[C@@H](O1)COCF 0c61b9a9b2fe5d2d9f7492156617b941 [1,0,0,1,0,0|2,0,0]=4 8957 B10R1.16 O=C1CC[C@H](O1)COCF 4144576c77ad59c81af5e2139c27ef0f [1,0,0,1,0,0|2,0,0]=4 8958 B10R1.27 CCC(=O)NC1CCCC1 ad0e329a839e42fb4e68b66bf7fc6efa [1,0,0,1,0,0|1,0,0]=3 8959 B10R1.27 CCC(=O)NC1CCOC1 87d823c2977e75e2fb89114c398fc88c [1,0,0,1,0,0|2,0,0]=4 8960 B10R1.27 CCC(=O)NC1CCSC1 127f48c4e5eb5bad27859a6e7623bb0c [1,0,0,1,0,0|2,0,0]=4 8961 B10R1.27 CCC(=O)N[C@@H]1CCOC1 469148a4d98c127e4133b4bff5bab61c [1,0,0,1,0,0|2,0,0]=4 8962 B10R1.27 CCC(=O)N[C@H]1CCOC1 b0d0a712a6b535c8cf47044a81b431e0 [1,0,0,1,0,0|2,0,0]=4 8963 B10R1.27 CCC(C)OC1CCCC1 30148a90da521268d6abe312e5583276 [1,0,0,1,0,0|1,0,1]=4 8964 B10R1.27 CC[C@@H](C)OC1CCCC1 c171b6529460dbd027cee80392bb2c21 [1,0,0,1,0,0|1,0,1]=4 8965 B10R1.27 CC[C@H](C)OC1CCCC1 a67891fdf9084075b692338a2669208f [1,0,0,1,0,0|1,0,1]=4 8966 B10R1.27 O=C(CF)NC1CCCC1 7def253a7d58d7abaf0b2c052c6b4bd2 [1,0,0,1,0,0|2,0,0]=4 8967 B10R1.27 O=C(CO)NC1CCCC1 a2af8330b212ec9a8ca0312ee053bb08 [1,0,0,1,0,0|2,0,0]=4 8968 B10R1.27 O=C(CS)NC1CCCC1 e18c16444a3ea35ed584a201cdde414c [1,0,0,1,0,0|2,0,0]=4 8969 B10R1.149 CC1CCCN1C(=O)CF 6966a14ee6d324b51ca54dc1ca4c86ba [1,0,0,1,0,0|2,0,0]=4 8970 B10R1.149 CC1CCCN1C(=O)CO 3fc83f9dfd3319fc46c49bcb17d36319 [1,0,0,1,0,0|2,0,0]=4 8971 B10R1.149 CC1CCCN1C(=O)CS d026f4865dd420f505b8dac27023ec51 [1,0,0,1,0,0|2,0,0]=4 8972 B10R1.149 CCC(=O)N1CCCC1C 757c1d5264a0e589f4a5d369b569b268 [1,0,0,1,0,0|1,0,0]=3 8973 B10R1.149 CCC(=O)N1CCCC1O d52ff7f8e928acce79e830bde128119f [1,0,0,1,0,0|2,0,0]=4 8974 B10R1.149 CCC(=O)N1CCC[C@@H]1C 638b246796726f009bd41c791abf9e50 [1,0,0,1,0,0|1,0,0]=3 8975 B10R1.149 CCC(=O)N1CCC[C@H]1C 0579c89c5ac3cc2beaac34451701c493 [1,0,0,1,0,0|1,0,0]=3 8976 B10R1.149 CCC(=O)N1CCSC1C d26bd8d3c0b2f30e27ef63aae06bb046 [1,0,0,1,0,0|2,0,0]=4 8977 B10R1.149 C[C@@H]1CCCN1C(=O)CF ad0e421c6b67e1ccc23791e9f38c2a58 [1,0,0,1,0,0|2,0,0]=4 8978 B10R1.149 C[C@@H]1CCCN1C(=O)CO dc4e2b62c41392defae704e10426acc2 [1,0,0,1,0,0|2,0,0]=4 8979 B10R1.149 C[C@@H]1CCCN1C(=O)CS 1637dba6789e3ce631f06111b33252b7 [1,0,0,1,0,0|2,0,0]=4 8980 B10R1.149 C[C@H]1CCCN1C(=O)CF a1e00102480f1b47ae2c23a72c0b5112 [1,0,0,1,0,0|2,0,0]=4 8981 B10R1.149 C[C@H]1CCCN1C(=O)CO 67931ca57a2e88071d87b599f3b86e38 [1,0,0,1,0,0|2,0,0]=4 8982 B10R1.149 C[C@H]1CCCN1C(=O)CS b8561b58c06f63036eb557180b6fc2ee [1,0,0,1,0,0|2,0,0]=4 8983 B10R1.151 CCC(=O)CNC1CCC1 b8353731ffe0f4c691cfd4114f586b11 [1,0,0,1,0,0|2,0,0]=4 8984 B10R1.151 CCC(=O)COC1CCC1 797a1b47e733c60d896bb18b4fc6eb5c [1,0,0,1,0,0|2,0,0]=4 8985 B10R1.151 CCC(=O)NCC1CCC1 4b327f7481ceaf5062c90f58b0555e1b [1,0,0,1,0,0|1,0,0]=3 8986 B10R1.151 CCC(=O)NCC1CCO1 6e081790014140f46dd7c4d8bad3f382 [1,0,0,1,0,0|2,0,0]=4 8987 B10R1.151 CCC(=O)NCC1COC1 cc64a9825624f29d57f4c2acf602700b [1,0,0,1,0,0|2,0,0]=4 8988 B10R1.151 CCC(=O)NC[C@@H]1CCO1 4805f632513bbf187ce949159dc9399d [1,0,0,1,0,0|2,0,0]=4 8989 B10R1.151 CCC(=O)NC[C@H]1CCO1 57ebee47cf4796710668d66d4b495f17 [1,0,0,1,0,0|2,0,0]=4 8990 B10R1.151 CCC(=O)OCN1CCC1 fd123feae34d71647188f23a94cc8c05 [1,0,0,1,0,0|1,0,0]=3 8991 B10R1.151 CCC(C)OCC1CCC1 64478b28f17ff782fccb086026fdb3d1 [1,0,0,1,0,0|1,0,1]=4 8992 B10R1.151 CC[C@@H](C)OCC1CCC1 38ba48ce6de88737e5573ffc67f149a5 [1,0,0,1,0,0|1,0,1]=4 8993 B10R1.151 CC[C@H](C)OCC1CCC1 216475738fa1c5139bd52964b0605b90 [1,0,0,1,0,0|1,0,1]=4 8994 B10R1.151 COC(=O)OCN1CCC1 28258fa458aec354217a5f111d7d8f32 [1,0,0,1,0,0|2,0,0]=4 8995 B10R1.151 O=C(CF)NCC1CCC1 58c4549873420e199e9d9a483bb826da [1,0,0,1,0,0|2,0,0]=4 8996 B10R1.151 O=C(CO)NCC1CCC1 abc401872fc69faa8595385d5786eb98 [1,0,0,1,0,0|2,0,0]=4 8997 B10R1.151 O=C(CS)NCC1CCC1 6d37979fbbd0321af54f46e683440eeb [1,0,0,1,0,0|2,0,0]=4 8998 B10R1.153 CCC(=O)CNCC1CC1 225dd7071931edcd77c79a2aa26556ee [1,0,0,1,0,0|2,0,0]=4 8999 B10R1.153 CCC(=O)COCC1CC1 f372fe9dbfb81be46e380f625d46fa2f [1,0,0,1,0,0|2,0,0]=4 9000 B10R1.153 CCC(=O)NCCC1CC1 33e3033af4fba57487732378a5fcb4ef [1,0,0,1,0,0|1,0,0]=3 9001 B10R1.153 CCC(=O)NCCN1CC1 c31d4f1adf334324b217ef2c46bac2bb [1,0,0,1,0,0|2,0,0]=4 9002 B10R1.153 CCC(=O)OCNC1CC1 835b28a15ba2b1b22d8064550b4fe2e7 [1,0,0,1,0,0|1,0,0]=3 9003 B10R1.153 CCC(=O)OCOC1CC1 2be77a0a323225616728c544de625037 [1,0,0,1,0,0|1,0,0]=3 9004 B10R1.153 CCC(C)OCCC1CC1 2578d42f2fb2648199a124294c040837 [1,0,0,1,0,0|1,0,1]=4 9005 B10R1.153 CC[C@@H](C)OCCC1CC1 45d0df1b4330dbbcdb4b0cd0822b0970 [1,0,0,1,0,0|1,0,1]=4 9006 B10R1.153 CC[C@H](C)OCCC1CC1 9c153a701e07208b3e62024321dac3da [1,0,0,1,0,0|1,0,1]=4 9007 B10R1.153 COC(=O)OCNC1CC1 75715a0b98a8d32102994bc825d16190 [1,0,0,1,0,0|2,0,0]=4 9008 B10R1.153 COC(=O)OCOC1CC1 78a958bf7ca9667f5865d4fcd33ac5e2 [1,0,0,1,0,0|2,0,0]=4 9009 B10R1.153 O=C(CF)NCCC1CC1 5b6a53513570c70f77aa1d84ec34ffe5 [1,0,0,1,0,0|2,0,0]=4 9010 B10R1.153 O=C(CO)NCCC1CC1 71cb6be8b40da6c6238c227fde6bac04 [1,0,0,1,0,0|2,0,0]=4 9011 B10R1.153 O=C(CS)NCCC1CC1 96a4df900069bb27e565008dd8ce014d [1,0,0,1,0,0|2,0,0]=4 9012 B10R1.157 CCC(=O)N[C@@H]1C[C@@H]1OC 190dacb192d66de08672ce57b8b89165 [1,0,0,1,0,0|2,0,0]=4 9013 B10R1.157 CCC(=O)N[C@@H]1C[C@H]1CO 49a5e2f32f385a6019b0729bc436786b [1,0,0,1,0,0|2,0,0]=4 9014 B10R1.157 CCC(=O)N[C@H]1C[C@@H]1CO 6c9a0eaf888195d4333e8caa4cc9b914 [1,0,0,1,0,0|2,0,0]=4 9015 B10R1.157 CCC(=O)N[C@H]1C[C@H]1CO e96155d18d9c39f0af6aa130270f0eb5 [1,0,0,1,0,0|2,0,0]=4 9016 B10R1.175 CCC(=O)N1CCC1CC 37460969c82cdeb3cc57a064b2e9205f [1,0,0,1,0,0|1,0,0]=3 9017 B10R1.175 CCC(=O)N1CCC1CO f27469fdfb48df9e3a099f8f9f3e8243 [1,0,0,1,0,0|2,0,0]=4 9018 B10R1.175 CCC(=O)N1CC[C@@H]1CO 855562c8ecfdda47fc043df156670411 [1,0,0,1,0,0|2,0,0]=4 9019 B10R1.175 CCC(=O)N1CC[C@H]1CO 6beaef6d9e40352697591550fa000d16 [1,0,0,1,0,0|2,0,0]=4 9020 B10R1.175 CCC1CCN1C(=O)CF a382dbfc5721505a6e966bdafdc6c8be [1,0,0,1,0,0|2,0,0]=4 9021 B10R1.175 CCC1CCN1C(=O)CO 6fc8ab4b3a37760da88611b6a888cbd0 [1,0,0,1,0,0|2,0,0]=4 9022 B10R1.175 CCC1CCN1C(=O)CS f91cb3d23e48600bd265ca0de0c83619 [1,0,0,1,0,0|2,0,0]=4 9023 B10R1.206 CCC(=O)CNC1CC1C a215456e67d8a1089d8750c074cdb2ed [1,0,0,1,0,0|2,0,0]=4 9024 B10R1.206 CCC(C)OCC1CC1C 5b62d8db7f7032b57d7f88f35d77858d [1,0,0,1,0,0|1,0,1]=4 9025 B10R1.206 CCC(C)OC[C@@H]1C[C@@H]1C b7da233983cb19e3f2c56d976903273d [1,0,0,1,0,0|1,0,1]=4 9026 B10R1.206 CCC(C)OC[C@@H]1C[C@H]1C b7697466b1507918d43bfee94db7bd45 [1,0,0,1,0,0|1,0,1]=4 9027 B10R1.206 CCC(C)OC[C@H]1C[C@@H]1C 46abb4ce75360a0a016055d93ab9d9f0 [1,0,0,1,0,0|1,0,1]=4 9028 B10R1.463 CCC(=O)NC1CCC1F 3b229a578fb8fb4bb1b43885d228fb1b [1,0,0,1,0,0|2,0,0]=4 9029 B10R1.463 CCC(=O)NC1CCC1O e6f27b7afd8b926f07ccd7e59cbd22fd [1,0,0,1,0,0|2,0,0]=4 9030 B10R1.463 CCC(=O)NC1COC1C 847837d82cf68340fab34c78c2f3f4a0 [1,0,0,1,0,0|2,0,0]=4 9031 B10R1.463 CCC(=O)N[C@@H]1CC[C@@H]1O 98d191b323ef432cb6f7721665101c11 [1,0,0,1,0,0|2,0,0]=4 9032 B10R1.463 CCC(=O)N[C@@H]1CC[C@H]1C 320096b3a4bdbb175ab66dc7c2045b20 [1,0,0,1,0,0|1,0,0]=3 9033 B10R1.463 CCC(=O)N[C@@H]1CC[C@H]1O 7c76eebb74f70df9f44ca5e4819635f9 [1,0,0,1,0,0|2,0,0]=4 9034 B10R1.463 CCC(=O)N[C@H]1CC[C@@H]1O 657fb3878b0a665fa5c024cecd198fff [1,0,0,1,0,0|2,0,0]=4 9035 B10R1.463 CCC(=O)N[C@H]1CC[C@H]1C 3495bd1a586bac1c14ef9843b25e4a8c [1,0,0,1,0,0|1,0,0]=3 9036 B10R1.463 CCC(=O)N[C@H]1CC[C@H]1O d7a8043bb2d375ac0d72c6c978741460 [1,0,0,1,0,0|2,0,0]=4 9037 B10R1.463 C[C@@H]1CC[C@@H]1NC(=O)CF b3b6a80ac851e9d42adc3658284201e9 [1,0,0,1,0,0|2,0,0]=4 9038 B10R1.463 C[C@@H]1CC[C@@H]1NC(=O)CO 64f296434c3c4e35d0828c8adc4c2d1e [1,0,0,1,0,0|2,0,0]=4 9039 B10R1.463 C[C@@H]1CC[C@@H]1NC(=O)CS 41eec0a798586bc6bb89fc3378049d4b [1,0,0,1,0,0|2,0,0]=4 9040 B10R1.463 C[C@@H]1CC[C@H]1NC(=O)CF e2519cb75ec4a1912b2d9255f8546e4e [1,0,0,1,0,0|2,0,0]=4 9041 B10R1.463 C[C@@H]1CC[C@H]1NC(=O)CO 97ea91fedaa54574ecac6196d12b893b [1,0,0,1,0,0|2,0,0]=4 9042 B10R1.463 C[C@@H]1CC[C@H]1NC(=O)CS be89c8dcdefe0ea4111c047c2ae0f8a9 [1,0,0,1,0,0|2,0,0]=4 9043 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,1,0,1,0,0|1,0,1]=4 9044 B12R1.7 CCCCCOC1CCC(C1)C 4fda610aa55777b757bf7dba67c6b42d [0,1,0,1,0,0|1,0,1]=4 9045 B12R1.7 CCCCCOC1CCC(C1)F 0a872e47e30625f90f3aadc025aaf199 [0,1,0,1,0,0|1,0,1]=4 9046 B12R1.7 CCCCCOC1CCN(C1)C 433eb97dd72dc213f76dbcc9fa271faa [0,1,0,1,0,0|1,0,1]=4 9047 B12R1.7 CCCCCOC1COC(C1)C 72cf34322e8028e3a6723a10c3134a41 [0,1,0,1,0,0|0,0,2]=4 9048 B12R1.7 CCCCCO[C@@H]1CCN(C1)C a11364c00420317d79ced9dbe1596aca [0,1,0,1,0,0|1,0,1]=4 9049 B12R1.7 CCCCCO[C@H]1CCN(C1)C 9d5c7cde8b94636be356e410647e0107 [0,1,0,1,0,0|1,0,1]=4 9050 B12R1.107 CC(C)CC(=O)N1CCCOC1 d9fe7b7fbe6c2bec969fae8f5a5adeeb [0,1,0,1,0,0|2,0,0]=4 9051 B12R1.107 CC(C)CC(=O)N1CCCSC1 8f6032057b3793c069cf3a867e9b3b5c [0,1,0,1,0,0|2,0,0]=4 9052 B12R1.107 CC(C)CC(=O)N1CCOCC1 49e8f43ec6fb19ce61a940c007ea0e4b [0,1,0,1,0,0|2,0,0]=4 9053 B12R1.107 CC(O)CC(=O)N1CCCOC1 234820acdf17e468c6f2c5a3b8b65395 [0,1,0,1,0,0|2,0,0]=4 9054 B12R1.107 CC(O)CC(=O)N1CCCSC1 6e9f3c7b82ec559817605ee0ee2b204d [0,1,0,1,0,0|2,0,0]=4 9055 B12R1.107 CC(O)CC(=O)N1CCOCC1 1a0e2bb610ac86ce6475ca5c0f5e67c6 [0,1,0,1,0,0|2,0,0]=4 9056 B12R1.107 C[C@@H](O)CC(=O)N1CCCOC1 c71b4f9f02cdd412b0477c07eae1477a [0,1,0,1,0,0|2,0,0]=4 9057 B12R1.107 C[C@@H](O)CC(=O)N1CCCSC1 5df4eabc33a9bc563e92d8bc8cc5008e [0,1,0,1,0,0|2,0,0]=4 9058 B12R1.107 C[C@@H](O)CC(=O)N1CCOCC1 259019447ac09f03455e57c2b1c7b708 [0,1,0,1,0,0|2,0,0]=4 9059 B12R1.107 C[C@H](O)CC(=O)N1CCCOC1 ca779115143cdc46d30328b146f84b31 [0,1,0,1,0,0|2,0,0]=4 9060 B12R1.107 C[C@H](O)CC(=O)N1CCCSC1 fd5438c3d3b0e75a95b1122c0cb9bf42 [0,1,0,1,0,0|2,0,0]=4 9061 B12R1.107 C[C@H](O)CC(=O)N1CCOCC1 7883c4f945a23826e6143d8bc89f5735 [0,1,0,1,0,0|2,0,0]=4 9062 B12R1.115 CCOC1CCC(=O)CC1(C)C d468266c0e39aa21725b97ca95b684fb [0,1,0,1,0,0|2,0,0]=4 9063 B12R1.142 CC(C)CC(=O)CNC1CC1C 10d33f3fdc0865ccd8402fd3d6ee6b52 [0,1,0,1,0,0|2,0,0]=4 9064 B12R1.142 CC(C)CC(C)OCC1CC1C 75d12ada0c148f5fa0cfc832b76babbd [0,1,0,1,0,0|1,0,1]=4 9065 B12R1.142 CC(C)CC(C)OC[C@@H]1C[C@@H]1C 4083733be262f170be77a1b63a405973 [0,1,0,1,0,0|1,0,1]=4 9066 B12R1.142 CC(C)CC(C)OC[C@@H]1C[C@H]1C 8e76f3306b409234e806e6d740a2dc5d [0,1,0,1,0,0|1,0,1]=4 9067 B12R1.142 CC(C)CC(C)OC[C@H]1C[C@@H]1C 62fa75544c026a32a12f41645828e344 [0,1,0,1,0,0|1,0,1]=4 9068 B12R1.144 C=C(C)CC(=O)N1CCCC1C 2c1d1a1495ad5f6683b5e6146faa68cc [0,1,0,1,0,0|1,0,1]=4 9069 B12R1.144 C=C(C)CC(=O)N1CCC[C@@H]1C c4ea140a11c1e66865dbe138351e4594 [0,1,0,1,0,0|1,0,1]=4 9070 B12R1.144 C=C(C)CC(=O)N1CCC[C@H]1C e6782915125558aff6d873563ebee734 [0,1,0,1,0,0|1,0,1]=4 9071 B12R1.144 CC(=O)CC(=O)N1CCCC1C ef3e4341ff08954218b6b34df07b47a2 [0,1,0,1,0,0|1,0,1]=4 9072 B12R1.144 CC(=O)CC(=O)N1CCC[C@@H]1C 8bb66c441419f910352d65dfdab3f6b7 [0,1,0,1,0,0|1,0,1]=4 9073 B12R1.144 CC(=O)CC(=O)N1CCC[C@H]1C d823717053e55b7c285fd3e6358c82db [0,1,0,1,0,0|1,0,1]=4 9074 B12R1.144 CC(C)CC(=O)N1CCCC1C 0c2e4ab453f931c7eb4ef2fec73feb2a [0,1,0,1,0,0|1,0,0]=3 9075 B12R1.144 CC(C)CC(=O)N1CCCC1O 7aa439086066ccfd950c4f1f2f1eba7b [0,1,0,1,0,0|2,0,0]=4 9076 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 274f9b77602fe82ef29455c75e084ede [0,1,0,1,0,0|1,0,0]=3 9077 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 7a4f1145a873e7bb3076183dd6a7dd98 [0,1,0,1,0,0|1,0,0]=3 9078 B12R1.144 CC(C)CC(=O)N1CCSC1C 34b724d38fea9efc9252b3ff28c17e13 [0,1,0,1,0,0|2,0,0]=4 9079 B12R1.144 CC(O)CC(=O)N1CCCC1C ae9e0ca27af3bca20d784566a1a613c1 [0,1,0,1,0,0|1,0,0]=3 9080 B12R1.144 CC(O)CC(=O)N1CCCC1O d7024399c047d192b51328c874eb4e30 [0,1,0,1,0,0|2,0,0]=4 9081 B12R1.144 CC(O)CC(=O)N1CCC[C@@H]1C 9596bf9ec1ac0bfded0158f9785b293e [0,1,0,1,0,0|1,0,0]=3 9082 B12R1.144 CC(O)CC(=O)N1CCC[C@H]1C c0383124ac15c95da77acce589619231 [0,1,0,1,0,0|1,0,0]=3 9083 B12R1.144 CC(O)CC(=O)N1CCSC1C 4fbb53fcd2026990eff1b8b5d4865b77 [0,1,0,1,0,0|2,0,0]=4 9084 B12R1.144 CC1CCCN1C(=O)CC(F)F 9867f80d927025feef7e75043b39073f [0,1,0,1,0,0|2,0,0]=4 9085 B12R1.144 CC1CCCN1C(=O)CN(C)C 6308d3b1606546eb54512f74b9db267a [0,1,0,1,0,0|2,0,0]=4 9086 B12R1.144 CC1CCCN1C(=O)C[C@@H](C)O 882b7131769e6bcd47915db987267380 [0,1,0,1,0,0|1,0,0]=3 9087 B12R1.144 CC1CCCN1C(=O)C[C@H](C)O 007e25fde1305432f3ffc3ff276a5edf [0,1,0,1,0,0|1,0,0]=3 9088 B12R1.144 CC1SCCN1C(=O)C[C@@H](C)O 1676b5c50a49facdfed72723793aeb01 [0,1,0,1,0,0|2,0,0]=4 9089 B12R1.144 CC1SCCN1C(=O)C[C@H](C)O 096a52f6aa3139cd55f4e305dbcd03be [0,1,0,1,0,0|2,0,0]=4 9090 B12R1.144 C[C@@H](O)CC(=O)N1CCCC1O 71f575480d8b0d5d395b468c2d50492c [0,1,0,1,0,0|2,0,0]=4 9091 B12R1.144 C[C@@H](O)CC(=O)N1CCC[C@@H]1C 630a56d6a622e53ea6d0fb38ad255054 [0,1,0,1,0,0|1,0,0]=3 9092 B12R1.144 C[C@@H]1CCCN1C(=O)CC(F)F 83d123984b16fd1c73d260c440c9541f [0,1,0,1,0,0|2,0,0]=4 9093 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 36b71c608e3fd71a6da1384af43aae8c [0,1,0,1,0,0|2,0,0]=4 9094 B12R1.144 C[C@@H]1CCCN1C(=O)C[C@@H](C)O 3c0a8ee31176566ea813b1685d584561 [0,1,0,1,0,0|1,0,0]=3 9095 B12R1.144 C[C@H](O)CC(=O)N1CCCC1O eb87cef4f82f0446c1a0e063c5a3e9fd [0,1,0,1,0,0|2,0,0]=4 9096 B12R1.144 C[C@H](O)CC(=O)N1CCC[C@@H]1C 32f44b0d3ec97824ab0185518df72ae5 [0,1,0,1,0,0|1,0,0]=3 9097 B12R1.144 C[C@H](O)CC(=O)N1CCC[C@H]1C fd8ad59733f3c1b7d874cb80575a845f [0,1,0,1,0,0|1,0,0]=3 9098 B12R1.144 C[C@H]1CCCN1C(=O)CC(F)F aac8a5a7dad7f8073b06a2ec7cebc0c7 [0,1,0,1,0,0|2,0,0]=4 9099 B12R1.144 C[C@H]1CCCN1C(=O)CN(C)C ba509e8f60efb6a842c513958e027e1b [0,1,0,1,0,0|2,0,0]=4 9100 B12R1.152 C=C(C)CC(=O)N[C@@H]1CC[C@H]1C 221641d44306dc02bebece5ef7c3d323 [0,1,0,1,0,0|1,0,1]=4 9101 B12R1.152 C=C(C)CC(=O)N[C@H]1CC[C@H]1C 818cd52716cee1e53a6f4601282fc601 [0,1,0,1,0,0|1,0,1]=4 9102 B12R1.152 CC(=O)CC(=O)N[C@@H]1CC[C@H]1C 0053b44044897eea4a150ff996481c9a [0,1,0,1,0,0|1,0,1]=4 9103 B12R1.152 CC(=O)CC(=O)N[C@H]1CC[C@H]1C b4c0800b4cb934122960afaf71fb332f [0,1,0,1,0,0|1,0,1]=4 9104 B12R1.152 CC(C)CC(=O)NC1CCC1F 8fea6fe11bdf0a9bafc4b40002c61ef6 [0,1,0,1,0,0|2,0,0]=4 9105 B12R1.152 CC(C)CC(=O)NC1CCC1O f769db49b1987464649983f080211c22 [0,1,0,1,0,0|2,0,0]=4 9106 B12R1.152 CC(C)CC(=O)NC1COC1C c639071d9e030329406252928dd4489a [0,1,0,1,0,0|2,0,0]=4 9107 B12R1.152 CC(C)CC(=O)N[C@@H]1CC[C@@H]1O a04696e5916c6d2801c71099cfe7663b [0,1,0,1,0,0|2,0,0]=4 9108 B12R1.152 CC(C)CC(=O)N[C@@H]1CC[C@H]1C 384f9ef24ec7b9c5f0d2d227e0793efa [0,1,0,1,0,0|1,0,0]=3 9109 B12R1.152 CC(C)CC(=O)N[C@@H]1CC[C@H]1O 62af89bf1344f52fa5e91814671897d9 [0,1,0,1,0,0|2,0,0]=4 9110 B12R1.152 CC(C)CC(=O)N[C@H]1CC[C@@H]1O d6906981480e9e75942b8a81036a0bea [0,1,0,1,0,0|2,0,0]=4 9111 B12R1.152 CC(C)CC(=O)N[C@H]1CC[C@H]1C 7feab991e4adcb1b331563563ef60643 [0,1,0,1,0,0|1,0,0]=3 9112 B12R1.152 CC(C)CC(=O)N[C@H]1CC[C@H]1O de6d65c6d0fb3caf126f756c93d13663 [0,1,0,1,0,0|2,0,0]=4 9113 B12R1.152 CC(O)CC(=O)NC1CCC1F 106be473453a1811e40d108dbef718b9 [0,1,0,1,0,0|2,0,0]=4 9114 B12R1.152 CC(O)CC(=O)NC1CCC1O 321f73bc97f9fbbed0d8f67c58f48d89 [0,1,0,1,0,0|2,0,0]=4 9115 B12R1.152 CC(O)CC(=O)NC1COC1C 6bccdc8cb073b73b68b7030e7e852b49 [0,1,0,1,0,0|2,0,0]=4 9116 B12R1.152 CC(O)CC(=O)N[C@@H]1CC[C@@H]1O d2d7e5eeda7288cb04bfc49407771a96 [0,1,0,1,0,0|2,0,0]=4 9117 B12R1.152 CC(O)CC(=O)N[C@@H]1CC[C@H]1C c5552ab2119af019de35e5efc69356c1 [0,1,0,1,0,0|1,0,0]=3 9118 B12R1.152 CC(O)CC(=O)N[C@@H]1CC[C@H]1O b9d2f0c7b3d791db1ea6e47ee94e99a4 [0,1,0,1,0,0|2,0,0]=4 9119 B12R1.152 CC(O)CC(=O)N[C@H]1CC[C@@H]1O 7a4239a9711d09f6a61295e4eed52c16 [0,1,0,1,0,0|2,0,0]=4 9120 B12R1.152 CC(O)CC(=O)N[C@H]1CC[C@H]1C 161855d2a80599df62e7a31256c26fe1 [0,1,0,1,0,0|1,0,0]=3 9121 B12R1.152 CC(O)CC(=O)N[C@H]1CC[C@H]1O 9fac57403dc52f1df2d701555b7f7645 [0,1,0,1,0,0|2,0,0]=4 9122 B12R1.152 CC1OCC1NC(=O)C[C@@H](C)O 6e3eaa3c11d3cf32c4ceb5beda8fa091 [0,1,0,1,0,0|2,0,0]=4 9123 B12R1.152 CC1OCC1NC(=O)C[C@H](C)O 80bcb4826d914027de99ed845e5bbd71 [0,1,0,1,0,0|2,0,0]=4 9124 B12R1.152 C[C@@H](O)CC(=O)NC1CCC1F 555e0de3964863b74cf75c827d2fb823 [0,1,0,1,0,0|2,0,0]=4 9125 B12R1.152 C[C@@H](O)CC(=O)NC1CCC1O cc3e289ea29c7153157441f050abcd4a [0,1,0,1,0,0|2,0,0]=4 9126 B12R1.152 C[C@@H](O)CC(=O)N[C@@H]1CC[C@@H]1O 897197c3f97573d1e33ae861586964e0 [0,1,0,1,0,0|2,0,0]=4 9127 B12R1.152 C[C@@H](O)CC(=O)N[C@@H]1CC[C@H]1O 4b91c5d45ac163f689c7d867ba97ac49 [0,1,0,1,0,0|2,0,0]=4 9128 B12R1.152 C[C@@H](O)CC(=O)N[C@H]1CC[C@@H]1O d562aec1bac4effa1dba44f6860f2834 [0,1,0,1,0,0|2,0,0]=4 9129 B12R1.152 C[C@@H](O)CC(=O)N[C@H]1CC[C@H]1O 94520ec908343e2e78b8060a212f1286 [0,1,0,1,0,0|2,0,0]=4 9130 B12R1.152 C[C@@H]1CC[C@@H]1NC(=O)CC(F)F e8068792f39f3c759319954bf90d426a [0,1,0,1,0,0|2,0,0]=4 9131 B12R1.152 C[C@@H]1CC[C@@H]1NC(=O)CN(C)C 8b75e2fb0131b227eba275b4ce7fdf12 [0,1,0,1,0,0|2,0,0]=4 9132 B12R1.152 C[C@@H]1CC[C@@H]1NC(=O)C[C@@H](C)O 03b1585c300f9da387a1cbc42b8c1a06 [0,1,0,1,0,0|1,0,0]=3 9133 B12R1.152 C[C@@H]1CC[C@H]1NC(=O)CC(F)F f4ea8b631da40fe412d1d8b5c20e98f1 [0,1,0,1,0,0|2,0,0]=4 9134 B12R1.152 C[C@@H]1CC[C@H]1NC(=O)CN(C)C 16eaf8d904a0bfc10d10f0d3dc86ae42 [0,1,0,1,0,0|2,0,0]=4 9135 B12R1.152 C[C@@H]1CC[C@H]1NC(=O)C[C@@H](C)O 41f2515dec607a17ff8a433b19b515ef [0,1,0,1,0,0|1,0,0]=3 9136 B12R1.152 C[C@H](O)CC(=O)NC1CCC1F 3220d3a5690af0642fc63eea9a6f082c [0,1,0,1,0,0|2,0,0]=4 9137 B12R1.152 C[C@H](O)CC(=O)NC1CCC1O 081694ca2979504059e5861a75db74c1 [0,1,0,1,0,0|2,0,0]=4 9138 B12R1.152 C[C@H](O)CC(=O)N[C@@H]1CC[C@@H]1O 29b80ace1fc4a0c51367589031343342 [0,1,0,1,0,0|2,0,0]=4 9139 B12R1.152 C[C@H](O)CC(=O)N[C@@H]1CC[C@H]1C e6a5b3d070114712483ab9b9dd5837e8 [0,1,0,1,0,0|1,0,0]=3 9140 B12R1.152 C[C@H](O)CC(=O)N[C@@H]1CC[C@H]1O d711e80022b8007ce4eccb9a56058d0b [0,1,0,1,0,0|2,0,0]=4 9141 B12R1.152 C[C@H](O)CC(=O)N[C@H]1CC[C@@H]1O 9d32fe2335c3ce8d1c54cbfb8228cd66 [0,1,0,1,0,0|2,0,0]=4 9142 B12R1.152 C[C@H](O)CC(=O)N[C@H]1CC[C@H]1C 33017507ca79d7a358b3b6f00aac9379 [0,1,0,1,0,0|1,0,0]=3 9143 B12R1.152 C[C@H](O)CC(=O)N[C@H]1CC[C@H]1O 714905d08feee3f3227499435dbf1e31 [0,1,0,1,0,0|2,0,0]=4 9144 B12R1.260 C=C(C)CC(=O)NC1CCCC1 67fca44be6ed4430cc0d069e83c5e98a [0,1,0,1,0,0|1,0,1]=4 9145 B12R1.260 CC(=O)CC(=O)NC1CCCC1 e240761eda385e470d0704af3a1502b5 [0,1,0,1,0,0|1,0,1]=4 9146 B12R1.260 CC(C)CC(=O)NC1CCCC1 7dfeb12dceb93f32ac58233f7799d1e2 [0,1,0,1,0,0|1,0,0]=3 9147 B12R1.260 CC(C)CC(=O)NC1CCOC1 aee976ed56b43a63e3a69a8e6a70b166 [0,1,0,1,0,0|2,0,0]=4 9148 B12R1.260 CC(C)CC(=O)NC1CCSC1 acec560411874cc650a915d5c0c0c61a [0,1,0,1,0,0|2,0,0]=4 9149 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 c6e20fc6379758bbf265d6a643545f97 [0,1,0,1,0,0|2,0,0]=4 9150 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 09fc6158ec7f2aa74cdcc80065e38fec [0,1,0,1,0,0|2,0,0]=4 9151 B12R1.260 CC(C)CC(C)OC1CCCC1 7a611feb39a21277fc32e0d1cce784b4 [0,1,0,1,0,0|1,0,1]=4 9152 B12R1.260 CC(C)C[C@@H](C)OC1CCCC1 b751c31fef955350835d54fe3fd5280d [0,1,0,1,0,0|1,0,1]=4 9153 B12R1.260 CC(C)C[C@H](C)OC1CCCC1 7d6a96e2baea11a56b8df482ea041ae2 [0,1,0,1,0,0|1,0,1]=4 9154 B12R1.260 CC(O)CC(=O)NC1CCCC1 13a3a0fbee8c8e96eb7d6dd9511cb312 [0,1,0,1,0,0|1,0,0]=3 9155 B12R1.260 CC(O)CC(=O)NC1CCOC1 8a1af6aad220c74131d6f098c204107e [0,1,0,1,0,0|2,0,0]=4 9156 B12R1.260 CC(O)CC(=O)NC1CCSC1 62da4bdf657f7c13d791cc52d45bb471 [0,1,0,1,0,0|2,0,0]=4 9157 B12R1.260 CC(O)CC(=O)N[C@@H]1CCOC1 87a78eb9840faa2fb26088c80248989d [0,1,0,1,0,0|2,0,0]=4 9158 B12R1.260 CC(O)CC(=O)N[C@H]1CCOC1 d034ad49c3c47b68dc094663ce427963 [0,1,0,1,0,0|2,0,0]=4 9159 B12R1.260 CN(C)CC(=O)NC1CCCC1 22d25f508d44d9fdf4baa45bd41d432a [0,1,0,1,0,0|2,0,0]=4 9160 B12R1.260 C[C@@H](O)CC(=O)NC1CCCC1 d5dd46438c82119c6efc41e2883bedc6 [0,1,0,1,0,0|1,0,0]=3 9161 B12R1.260 C[C@@H](O)CC(=O)NC1CCOC1 4cdabbf028d683ff3d982f06e5fc5a3f [0,1,0,1,0,0|2,0,0]=4 9162 B12R1.260 C[C@@H](O)CC(=O)NC1CCSC1 36d982d2c0a0a121158ed66568a48cfe [0,1,0,1,0,0|2,0,0]=4 9163 B12R1.260 C[C@@H](O)CC(=O)N[C@@H]1CCOC1 380742fa67e1fa911111acc607d73fa5 [0,1,0,1,0,0|2,0,0]=4 9164 B12R1.260 C[C@@H](O)CC(=O)N[C@H]1CCOC1 b4ee61491934e861947c95813861c749 [0,1,0,1,0,0|2,0,0]=4 9165 B12R1.260 C[C@H](O)CC(=O)NC1CCCC1 96e9e1fae978ca1cb195c68758177e47 [0,1,0,1,0,0|1,0,0]=3 9166 B12R1.260 C[C@H](O)CC(=O)NC1CCOC1 978f624605689a6085d87b35402cefb1 [0,1,0,1,0,0|2,0,0]=4 9167 B12R1.260 C[C@H](O)CC(=O)NC1CCSC1 e3f92783594e0262f483025430d885ec [0,1,0,1,0,0|2,0,0]=4 9168 B12R1.260 C[C@H](O)CC(=O)N[C@@H]1CCOC1 b80d90f94fd4a820220b70d973089df4 [0,1,0,1,0,0|2,0,0]=4 9169 B12R1.260 C[C@H](O)CC(=O)N[C@H]1CCOC1 7276854c3322459ba7c8e37b9b3efb17 [0,1,0,1,0,0|2,0,0]=4 9170 B12R1.260 O=C(CC(F)F)NC1CCCC1 3c2d58bc6a32d3135bd3e1e6b8f4c0f9 [0,1,0,1,0,0|2,0,0]=4 9171 B12R1.400 C=C(C)CC(=O)N1CCC1CC d435aea77f8b0e89b8ed05cc0f589105 [0,1,0,1,0,0|1,0,1]=4 9172 B12R1.400 CC(C)CC(=O)N1CCC1CO ad596366998ec66384e2b821066eb719 [0,1,0,1,0,0|2,0,0]=4 9173 B12R1.400 CC(C)CC(=O)N1CC[C@@H]1CO a213c9359f4c0b9c646a47978f842fbf [0,1,0,1,0,0|2,0,0]=4 9174 B12R1.400 CC(C)CC(=O)N1CC[C@H]1CO 7092d789c642350335eb9a8e46354c33 [0,1,0,1,0,0|2,0,0]=4 9175 B12R1.400 CC(O)CC(=O)N1CCC1CO 8de2b29b15d11abc24af09beb5da1460 [0,1,0,1,0,0|2,0,0]=4 9176 B12R1.400 CC(O)CC(=O)N1CC[C@@H]1CO ee8374a947d6c9d8cdde6720091cfeec [0,1,0,1,0,0|2,0,0]=4 9177 B12R1.400 CC(O)CC(=O)N1CC[C@H]1CO b0e03db24d2fb350f7b2d1a44a5ef3de [0,1,0,1,0,0|2,0,0]=4 9178 B12R1.400 CCC1CCN1C(=O)CC(=O)C 2ad6158449dec1ab32fa774dfaad6ea6 [0,1,0,1,0,0|1,0,1]=4 9179 B12R1.400 CCC1CCN1C(=O)CC(C)C b1137a4ce7f5c2c4e115231642baf38b [0,1,0,1,0,0|1,0,0]=3 9180 B12R1.400 CCC1CCN1C(=O)CC(C)O 1a549eb7203efbac2f469eeae9e35b63 [0,1,0,1,0,0|1,0,0]=3 9181 B12R1.400 CCC1CCN1C(=O)CC(F)F e86e9aa69a6e8fc9ef1a35d53e338455 [0,1,0,1,0,0|2,0,0]=4 9182 B12R1.400 CCC1CCN1C(=O)CN(C)C 3a567a9067d8d68c76f6074aaf6c925d [0,1,0,1,0,0|2,0,0]=4 9183 B12R1.400 CCC1CCN1C(=O)C[C@@H](C)O 13357841e7d06a1862686bfa182d6f4e [0,1,0,1,0,0|1,0,0]=3 9184 B12R1.400 CCC1CCN1C(=O)C[C@H](C)O ddee062bb2627e06907a6e020fe2ac25 [0,1,0,1,0,0|1,0,0]=3 9185 B12R1.400 C[C@@H](O)CC(=O)N1CCC1CO 0494ee20b2daebd66369911b886630b4 [0,1,0,1,0,0|2,0,0]=4 9186 B12R1.400 C[C@@H](O)CC(=O)N1CC[C@@H]1CO 68909908f4f4a05fbf5fefb0274f63f7 [0,1,0,1,0,0|2,0,0]=4 9187 B12R1.400 C[C@@H](O)CC(=O)N1CC[C@H]1CO 55df2e07ff78e3c936d8668d0b26e211 [0,1,0,1,0,0|2,0,0]=4 9188 B12R1.400 C[C@H](O)CC(=O)N1CCC1CO 1ce94ea5e5e9d24324198106ca0e2d5a [0,1,0,1,0,0|2,0,0]=4 9189 B12R1.400 C[C@H](O)CC(=O)N1CC[C@@H]1CO 9714e8f590d397d0e77fa83427913393 [0,1,0,1,0,0|2,0,0]=4 9190 B12R1.400 C[C@H](O)CC(=O)N1CC[C@H]1CO 45d51670219566965bdd1d27e52943b5 [0,1,0,1,0,0|2,0,0]=4 9191 B12R1.418 CC(C)CC(=O)N[C@@H]1C[C@H]1CO 6406435be9f7a3fe86de2c4853b0858d [0,1,0,1,0,0|2,0,0]=4 9192 B12R1.418 CC(C)CC(=O)N[C@H]1C[C@@H]1CO f785ce3c051849b8b532089e348bb5e4 [0,1,0,1,0,0|2,0,0]=4 9193 B12R1.418 CC(C)CC(=O)N[C@H]1C[C@H]1CO 01b086e6981c5f5123139ae8adc3da5f [0,1,0,1,0,0|2,0,0]=4 9194 B12R1.418 CC(O)CC(=O)N[C@@H]1C[C@H]1CO f57cfb8fb3467b6a24aed76955de560c [0,1,0,1,0,0|2,0,0]=4 9195 B12R1.418 CC(O)CC(=O)N[C@H]1C[C@@H]1CO 99f1ef60e7cc1f68a58f6df1fc84a6c0 [0,1,0,1,0,0|2,0,0]=4 9196 B12R1.418 CC(O)CC(=O)N[C@H]1C[C@H]1CO 3558915719e3372392eaa3e5f41effab [0,1,0,1,0,0|2,0,0]=4 9197 B12R1.418 CO[C@H]1C[C@H]1NC(=O)CC(C)C 91ec1b2e39abcbd1ee3d2394cd77208b [0,1,0,1,0,0|2,0,0]=4 9198 B12R1.418 CO[C@H]1C[C@H]1NC(=O)CC(C)O b5d4e5564d22241daa83df38a45c93d1 [0,1,0,1,0,0|2,0,0]=4 9199 B12R1.418 CO[C@H]1C[C@H]1NC(=O)C[C@@H](C)O 54fce61366297ad7aaf45025785619d3 [0,1,0,1,0,0|2,0,0]=4 9200 B12R1.418 CO[C@H]1C[C@H]1NC(=O)C[C@H](C)O 00b94e415e2b3978da2322dec67773a9 [0,1,0,1,0,0|2,0,0]=4 9201 B12R1.418 C[C@@H](O)CC(=O)N[C@@H]1C[C@H]1CO a7d9e1c395a86c974ab05bb6b3acc834 [0,1,0,1,0,0|2,0,0]=4 9202 B12R1.418 C[C@@H](O)CC(=O)N[C@H]1C[C@@H]1CO 396489c75d435bca597b4da2eeb4b4b0 [0,1,0,1,0,0|2,0,0]=4 9203 B12R1.418 C[C@@H](O)CC(=O)N[C@H]1C[C@H]1CO 04f884d45525c46bdeca95467ad24f3e [0,1,0,1,0,0|2,0,0]=4 9204 B12R1.418 C[C@H](O)CC(=O)N[C@@H]1C[C@H]1CO 22bde2788998bd817a4fca6feea9f6e4 [0,1,0,1,0,0|2,0,0]=4 9205 B12R1.418 C[C@H](O)CC(=O)N[C@H]1C[C@@H]1CO 1aacc30670907f537940065ab86906e8 [0,1,0,1,0,0|2,0,0]=4 9206 B12R1.418 C[C@H](O)CC(=O)N[C@H]1C[C@H]1CO d5d738c5fc05f4204d0cd8625cec295a [0,1,0,1,0,0|2,0,0]=4 9207 B12R1.437 CCN1CCNC(=O)C1C(C)C 6cb96cee15e64619bee1dc0d468319d2 [0,1,0,1,0,0|2,0,0]=4 9208 B12R1.456 C#CCCOC1OC(=O)CC1C ece1372338875ea921eb01c918c2af9b [0,1,0,1,0,0|0,0,2]=4 9209 B12R1.456 C/C=C/COC1OC(=O)CC1C 5dce1aa8469997c304aace45f12a6142 [0,1,0,1,0,0|0,0,2]=4 9210 B12R1.456 C/C=C\COC1OC(=O)CC1C 0a83a0cff0cb4fd0c0dadcb72b1ec00b [0,1,0,1,0,0|0,0,2]=4 9211 B12R1.456 C=CCCOC1OC(=O)CC1C 92c87e3ed8af3087cbd7687275a1ecaa [0,1,0,1,0,0|0,0,2]=4 9212 B12R1.456 CC1CC(=O)OC1OCCC#N 5a6c2130bff11f14cbb95ea2f3839033 [0,1,0,1,0,0|1,0,1]=4 9213 B12R1.456 CC1CC(=O)OC1OCCC=O 0c905d1c3c81ace52ae50f8543da06e7 [0,1,0,1,0,0|1,0,1]=4 9214 B12R1.456 CC1CC(=O)OC1OCCCF ad37d03f6c4e95eb97f6b136a76001b2 [0,1,0,1,0,0|1,0,0]=3 9215 B12R1.456 CC1CC(=O)OC1OCCCS fa1dc40ffe6d534be04346e7d566cc79 [0,1,0,1,0,0|1,0,0]=3 9216 B12R1.456 CCCCOC1CC(=O)NC1C 103973547a1c1627241f3106cf8efb96 [0,1,0,1,0,0|2,0,0]=4 9217 B12R1.456 CCCCOC1OC(=O)C=C1C e4cd3463e860b05afe1f72337787418c [0,1,0,1,0,0|0,0,2]=4 9218 B12R1.456 CCCCOC1OC(=O)CC1C 06715f69c09a20e4a6e8248562d47e9f [0,1,0,1,0,0|0,0,0]=2 9219 B12R1.456 CCCCO[C@H]1CC(=O)N[C@H]1C 0a33a96107d2f2fa1cd6912bee4a9cd0 [0,1,0,1,0,0|2,0,0]=4 9220 B12R1.456 COCCOC1OC(=O)CC1C 9aa3ee4435352f263da41df7d99a9fc5 [0,1,0,1,0,0|1,0,0]=3 9221 B12R1.456 CSCCOC1OC(=O)CC1C fb44f858e49b633a9c003b4e4d06d8f8 [0,1,0,1,0,0|1,0,0]=3 9222 B12R1.563 CCCC/C=C/C(=O)NC1CC1 3bfec8956c062f16d5453e0c103329b0 [0,1,0,1,0,0|1,0,1]=4 9223 B12R1.563 CCCCC#CC(=O)NC1CC1 4b4c506f6bf832d226946725bb956485 [0,1,0,1,0,0|1,0,1]=4 9224 B12R1.563 CCCCC=CC(=O)NC1CC1 2ad01696c15feea32a540d66a5a08d96 [0,1,0,1,0,0|1,0,1]=4 9225 B12R1.563 CCCCCCC(=O)NC1CC1 8b085195dc5e62d9ee90299f8c862df8 [0,1,0,1,0,0|1,0,0]=3 9226 B12R1.563 CCCCCNC(=O)CC1CC1 f12e9579253eec36c1a8e6a252992cd3 [0,1,0,1,0,0|1,0,0]=3 9227 B12R1.563 CCCCCNC(=O)NC1CC1 aedf5c9ca0dd627855dbb88878c35908 [0,1,0,1,0,0|1,0,0]=3 9228 B12R1.563 CCCCCNC(=S)NC1CC1 c926a2f408c9d5681e590a53d906e92e [0,1,0,1,0,0|1,1,0]=4 9229 B12R1.563 CCCCCOC(C)CC1CC1 f788ae8c39e70944edc68abc7fd2ca3a [0,1,0,1,0,0|1,0,1]=4 9230 B12R1.563 CCCCNCC(=O)NC1CC1 24c2eb40ce967b8d9527a26127f96bcc [0,1,0,1,0,0|2,0,0]=4 9231 B12R1.563 CCCCOCC(=O)NC1CC1 59984acf48111c4becbfcfde27484d21 [0,1,0,1,0,0|2,0,0]=4 9232 B12R1.563 CCCCSCC(=O)NC1CC1 7b4dea0fb0d94450f2b6ffe573ebe040 [0,1,0,1,0,0|2,0,0]=4 9233 B12R1.563 CCCNCCC(=O)NC1CC1 39e5ab929fca277196ef52fd56ecc57f [0,1,0,1,0,0|2,0,0]=4 9234 B12R1.563 CCCOCCC(=O)NC1CC1 af3fc32544fdad6994d8ca5af65b0055 [0,1,0,1,0,0|2,0,0]=4 9235 B12R1.563 CCOCCCC(=O)NC1CC1 38a0a6b9058d992a51d2bbb189e43495 [0,1,0,1,0,0|2,0,0]=4 9236 B12R1.563 CCOCCNC(=O)CC1CC1 f10cff23095d64ac1d190866b3573260 [0,1,0,1,0,0|2,0,0]=4 9237 B12R1.563 CCOCCNC(=O)NC1CC1 4c76591804abe7792217aa7b462e2754 [0,1,0,1,0,0|2,0,0]=4 9238 B12R1.563 CCSCCNC(=O)CC1CC1 f5e6d1101c239ad906e3d373a656ee07 [0,1,0,1,0,0|2,0,0]=4 9239 B12R1.563 CCSCCNC(=O)NC1CC1 b0303dc3bb6e1847622cd904e22018cb [0,1,0,1,0,0|2,0,0]=4 9240 B12R1.563 COCCCNC(=O)CC1CC1 0701e527219abee9eaefe9b45391046d [0,1,0,1,0,0|2,0,0]=4 9241 B12R1.563 COCCCNC(=O)NC1CC1 f032622c91e514ac61f489b472bc5817 [0,1,0,1,0,0|2,0,0]=4 9242 B12R1.563 CSCCCNC(=O)CC1CC1 4f76abdc0a84cd35333146c0e1410587 [0,1,0,1,0,0|2,0,0]=4 9243 B12R1.563 CSCCCNC(=O)NC1CC1 dc47101a609146a67627fa77eff29fe5 [0,1,0,1,0,0|2,0,0]=4 9244 B12R1.563 NCCCCNC(=O)NC1CC1 891b74e16765993a16840bf39c12d2d8 [0,1,0,1,0,0|2,0,0]=4 9245 B12R1.563 O=C(CC1CC1)NCCCCCl 9e4846ee73f8f058282957886845a136 [0,1,0,1,0,0|2,0,0]=4 9246 B12R1.563 O=C(CC1CC1)NCCCCO e647dee4db00ce9bab1d9c5252fac1e4 [0,1,0,1,0,0|2,0,0]=4 9247 B12R1.563 O=C(CC1CC1)NCCCCS c5cd69e97adaeea809e6cda5adcea3c9 [0,1,0,1,0,0|2,0,0]=4 9248 B12R1.563 O=C(CCCCCF)NC1CC1 ac39fad15b1db43f89a58fa73e96690d [0,1,0,1,0,0|2,0,0]=4 9249 B12R1.563 O=C(CCCCCO)NC1CC1 cdfb54e916bdfc8360ac829cdf5f65dc [0,1,0,1,0,0|2,0,0]=4 9250 B12R1.563 O=C(CCCCCS)NC1CC1 b94d6aadeed0cf85c0f11f651d56aff3 [0,1,0,1,0,0|2,0,0]=4 9251 B12R1.563 O=C(NCCCCO)NC1CC1 be37f4e14c7c51fc70c8ab63f2e02e61 [0,1,0,1,0,0|2,0,0]=4 9252 B12R1.563 O=C(NCCCCS)NC1CC1 998991ae0c9f9f7578e7a0af5b59259d [0,1,0,1,0,0|2,0,0]=4 9253 B12R1.1376 C=C(C)CC(=O)NCC1CCC1 2ba6c0f81bb765a6dd79db2e58462ee5 [0,1,0,1,0,0|1,0,1]=4 9254 B12R1.1376 CC(=O)CC(=O)NCC1CCC1 3a1521a41ce5a4b13383e3e4082180c6 [0,1,0,1,0,0|1,0,1]=4 9255 B12R1.1376 CC(C)CC(=O)CNC1CCC1 137b71684236755446770f4b385b7346 [0,1,0,1,0,0|2,0,0]=4 9256 B12R1.1376 CC(C)CC(=O)COC1CCC1 1170502479a842ee1bab2698131edb3d [0,1,0,1,0,0|2,0,0]=4 9257 B12R1.1376 CC(C)CC(=O)NCC1CCC1 a0d235fffbf52513fc9273e0aa760561 [0,1,0,1,0,0|1,0,0]=3 9258 B12R1.1376 CC(C)CC(=O)NCC1CCO1 c514f2f803bb3ab585bd26be7005710e [0,1,0,1,0,0|2,0,0]=4 9259 B12R1.1376 CC(C)CC(=O)NCC1COC1 86c209f970e74eee9ff88a652593a638 [0,1,0,1,0,0|2,0,0]=4 9260 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 1ca5137b060f65c5ffa63b43b86ac1c5 [0,1,0,1,0,0|2,0,0]=4 9261 B12R1.1376 CC(C)CC(=O)NC[C@H]1CCO1 752672adf18c022aebbfa84e91ecf89a [0,1,0,1,0,0|2,0,0]=4 9262 B12R1.1376 CC(C)CC(=O)OCN1CCC1 5a24b71cb6d7e70b1c05e63e94821410 [0,1,0,1,0,0|1,0,0]=3 9263 B12R1.1376 CC(C)CC(C)OCC1CCC1 dead12f30c618603a295fd7954a83f78 [0,1,0,1,0,0|1,0,1]=4 9264 B12R1.1376 CC(C)C[C@@H](C)OCC1CCC1 21b4a8806b92caf78b07f20326a26fe2 [0,1,0,1,0,0|1,0,1]=4 9265 B12R1.1376 CC(C)C[C@H](C)OCC1CCC1 b403981a30f533aee0478b45583d81f0 [0,1,0,1,0,0|1,0,1]=4 9266 B12R1.1376 CC(C)OC(=O)OCN1CCC1 b4c203976f62f5cbcdf7c280df3901b1 [0,1,0,1,0,0|2,0,0]=4 9267 B12R1.1376 CC(O)CC(=O)NCC1CCC1 5efb159a8cc68f28379e92fc4df1cae8 [0,1,0,1,0,0|1,0,0]=3 9268 B12R1.1376 CC(O)CC(=O)NCC1CCO1 5a4e764da28c53389666b11fe676cd51 [0,1,0,1,0,0|2,0,0]=4 9269 B12R1.1376 CC(O)CC(=O)NCC1COC1 6590f54c68c2932b1ed5297220354243 [0,1,0,1,0,0|2,0,0]=4 9270 B12R1.1376 CC(O)CC(=O)NC[C@@H]1CCO1 c04a9fd4ccdb6b1fdc29c947635dc530 [0,1,0,1,0,0|2,0,0]=4 9271 B12R1.1376 CC(O)CC(=O)NC[C@H]1CCO1 7a760616752a6c02d1047ab650dc9c28 [0,1,0,1,0,0|2,0,0]=4 9272 B12R1.1376 CN(C)CC(=O)NCC1CCC1 c10ca98b568463c6a2f7152835f098a9 [0,1,0,1,0,0|2,0,0]=4 9273 B12R1.1376 C[C@@H](O)CC(=O)NCC1CCC1 f1a21af64c89c6c0dd61a4f8cd0450a0 [0,1,0,1,0,0|1,0,0]=3 9274 B12R1.1376 C[C@@H](O)CC(=O)NCC1CCO1 8276be27ac0ecd9ec7045a5165d8a529 [0,1,0,1,0,0|2,0,0]=4 9275 B12R1.1376 C[C@@H](O)CC(=O)NCC1COC1 1427ef8cd5111073e79b2e2d2f8a610f [0,1,0,1,0,0|2,0,0]=4 9276 B12R1.1376 C[C@@H](O)CC(=O)NC[C@@H]1CCO1 2db1be099ed84eb5f18316e93c6e3e45 [0,1,0,1,0,0|2,0,0]=4 9277 B12R1.1376 C[C@@H](O)CC(=O)NC[C@H]1CCO1 cbad48628bc87bf833e6744d4c42e044 [0,1,0,1,0,0|2,0,0]=4 9278 B12R1.1376 C[C@H](O)CC(=O)NCC1CCC1 c27b8d6de149083b41b2d2d59e8f11e9 [0,1,0,1,0,0|1,0,0]=3 9279 B12R1.1376 C[C@H](O)CC(=O)NCC1CCO1 da92da66628f6ad6385f446af7fefa1a [0,1,0,1,0,0|2,0,0]=4 9280 B12R1.1376 C[C@H](O)CC(=O)NCC1COC1 424cc9a174e77fcd3e7dc7db564fbe5b [0,1,0,1,0,0|2,0,0]=4 9281 B12R1.1376 C[C@H](O)CC(=O)NC[C@@H]1CCO1 8c120dbfe19e5c40a7127e9415bc62c0 [0,1,0,1,0,0|2,0,0]=4 9282 B12R1.1376 C[C@H](O)CC(=O)NC[C@H]1CCO1 0b6aa6a772d1d3290f2d73f574723511 [0,1,0,1,0,0|2,0,0]=4 9283 B12R1.1376 O=C(CC(F)F)NCC1CCC1 674989d6fd68bca7758f73ed4d39b61b [0,1,0,1,0,0|2,0,0]=4 9284 B12R1.1377 C=C(C)CC(=O)NCCC1CC1 64a28e06c0b9b656c38959299939c1ed [0,1,0,1,0,0|1,0,1]=4 9285 B12R1.1377 CC(=O)CC(=O)NCCC1CC1 190d22f3a8f615ba05e42a44f66fca8b [0,1,0,1,0,0|1,0,1]=4 9286 B12R1.1377 CC(C)CC(=O)CNCC1CC1 43b9014b58e52ab940a3bdde54efc46a [0,1,0,1,0,0|2,0,0]=4 9287 B12R1.1377 CC(C)CC(=O)COCC1CC1 b41aa3d3c2eed73110d80d7b516f3c72 [0,1,0,1,0,0|2,0,0]=4 9288 B12R1.1377 CC(C)CC(=O)NCCC1CC1 9202f44cbb4f71946e2cf19700f94765 [0,1,0,1,0,0|1,0,0]=3 9289 B12R1.1377 CC(C)CC(=O)NCCN1CC1 a23afe77674f49efabf897877c9e64f3 [0,1,0,1,0,0|2,0,0]=4 9290 B12R1.1377 CC(C)CC(=O)OCNC1CC1 4578511b6d4452d8a7905074688356ff [0,1,0,1,0,0|1,0,0]=3 9291 B12R1.1377 CC(C)CC(=O)OCOC1CC1 ab51832c39df0798694cf8e1b392228e [0,1,0,1,0,0|1,0,0]=3 9292 B12R1.1377 CC(C)CC(C)OCCC1CC1 3819c33d9545ee3f1ba53b4a2b748b5f [0,1,0,1,0,0|1,0,1]=4 9293 B12R1.1377 CC(C)C[C@@H](C)OCCC1CC1 2f49019a33ea5dba58dec77412a48a60 [0,1,0,1,0,0|1,0,1]=4 9294 B12R1.1377 CC(C)C[C@H](C)OCCC1CC1 eceaf51557e20d2b45160652c90bc9e6 [0,1,0,1,0,0|1,0,1]=4 9295 B12R1.1377 CC(C)OC(=O)OCNC1CC1 6baf15efcb7e6ba58f54361934cd86a6 [0,1,0,1,0,0|2,0,0]=4 9296 B12R1.1377 CC(C)OC(=O)OCOC1CC1 fb75a8198a2240890bf2679a82cff330 [0,1,0,1,0,0|2,0,0]=4 9297 B12R1.1377 CC(O)CC(=O)NCCC1CC1 c8657838084935423e152491e9082312 [0,1,0,1,0,0|1,0,0]=3 9298 B12R1.1377 CC(O)CC(=O)NCCN1CC1 0d9de2bc1a1c418f2fbeae8b026457d8 [0,1,0,1,0,0|2,0,0]=4 9299 B12R1.1377 CN(C)CC(=O)NCCC1CC1 f78f0bf1ba41745b0b7508dd2de1cfec [0,1,0,1,0,0|2,0,0]=4 9300 B12R1.1377 C[C@@H](O)CC(=O)NCCC1CC1 c04b3ce1eadeaca9c5726e732bf8632f [0,1,0,1,0,0|1,0,0]=3 9301 B12R1.1377 C[C@@H](O)CC(=O)NCCN1CC1 aaff34ec5e0b941ab9af552b30f0432b [0,1,0,1,0,0|2,0,0]=4 9302 B12R1.1377 C[C@H](O)CC(=O)NCCC1CC1 d33de53f866341d31f89bff9d4c26562 [0,1,0,1,0,0|1,0,0]=3 9303 B12R1.1377 C[C@H](O)CC(=O)NCCN1CC1 9b0fe22e277fe00bab3f3879017e941f [0,1,0,1,0,0|2,0,0]=4 9304 B12R1.1377 O=C(CC(F)F)NCCC1CC1 4cafc2c7aa526d500fd4a3bfbe36c746 [0,1,0,1,0,0|2,0,0]=4 9305 B12R1.1760 CCCCCOC1CC(C1)(C)C 4779a7894c28a58d231ec4b15ffaaa1b [0,1,0,1,0,0|1,0,1]=4 9306 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [0,1,0,1,0,0|1,0,0]=3 9307 B12R1.28 CCCCCN1CCNC(=O)C1 d71fc94f71f437862d025ac8c8b2734b [0,1,0,1,0,0|2,0,0]=4 9308 B12R1.28 CCCCCN1CCOC(=O)C1 7b59bebb6d79e62d43b56b265264a7f8 [0,1,0,1,0,0|2,0,0]=4 9309 B12R1.28 CCCCNC1CCCC(=O)C1 b3434e6ae01328abe266df8a438d00a0 [0,1,0,1,0,0|1,0,0]=3 9310 B12R1.28 CCCCNC1CCNC(=O)C1 6d8455654c4c5b07b0f845f3214de95f [0,1,0,1,0,0|2,0,0]=4 9311 B12R1.28 CCCCN[C@@H]1CCNC(=O)C1 843bcc771d28a4fbe91a14adad253d55 [0,1,0,1,0,0|2,0,0]=4 9312 B12R1.28 CCCCN[C@H]1CCNC(=O)C1 54d2d41788df35cfb1772d86404c7831 [0,1,0,1,0,0|2,0,0]=4 9313 B12R1.28 CCCCOC1=CC(=O)CCC1 5d56f0e7fc6d1c862492bdc6eca61010 [0,1,0,1,0,0|1,0,1]=4 9314 B12R1.28 CCCCOC1C=C(CCC1)C e2e43c0cd4f6374a9c4553e97e99e9d0 [0,1,0,1,0,0|2,0,0]=4 9315 B12R1.28 CCCCOC1CCCC(=O)C1 bf043af5b4aeac8f33e9dc0bf6cd4761 [0,1,0,1,0,0|1,0,0]=3 9316 B12R1.28 CCCCOC1CCNC(=O)C1 9132d818902ebe3882639b508c29a80b [0,1,0,1,0,0|2,0,0]=4 9317 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 74e30496240abbe2d3725fc24db5e80f [0,1,0,1,0,0|2,0,0]=4 9318 B12R1.28 CCCCO[C@H]1CCNC(=O)C1 e1142b7992ef648d1dc34aad56bcf4bb [0,1,0,1,0,0|2,0,0]=4 9319 B12R1.28 CCCNCC1CCCC(=O)N1 a9eaae5aab3cd0e87b11bb0dc817f0d5 [0,1,0,1,0,0|1,0,0]=3 9320 B12R1.28 CCCNCC1CCNC(=O)C1 66b29e23199310c144bf735f8a6747d4 [0,1,0,1,0,0|2,0,0]=4 9321 B12R1.28 CCCOCC1CCCC(=O)C1 c6e6f3ef9305507b0c23e35e7961f245 [0,1,0,1,0,0|1,0,0]=3 9322 B12R1.28 CCCOCC1CCCC(=O)N1 d5af32a49d0e7a4fa330977d8cfbd2a5 [0,1,0,1,0,0|1,0,0]=3 9323 B12R1.28 CCCOCC1CCNC(=O)C1 dec4975dfa57cd8a09d90e575f5ffb60 [0,1,0,1,0,0|2,0,0]=4 9324 B12R1.28 CCCOCC1COCC(=O)N1 62dceb8b605ac98bfcf6ffaf7b1f44cd [0,1,0,1,0,0|2,0,0]=4 9325 B12R1.28 CCCOC[C@@H]1CCCC(=O)N1 07b3982aee0fc054cb605d90e0ad4c36 [0,1,0,1,0,0|1,0,0]=3 9326 B12R1.28 CCCOC[C@@H]1COCC(=O)N1 99a1cca838f94949b2766e80bf4e5112 [0,1,0,1,0,0|2,0,0]=4 9327 B12R1.28 CCCOC[C@H]1CCCC(=O)N1 be60bf160650b163d22b518bac9c0c02 [0,1,0,1,0,0|1,0,0]=3 9328 B12R1.28 CCCOC[C@H]1COCC(=O)N1 393961166d443c9a55678617bd21bb6d [0,1,0,1,0,0|2,0,0]=4 9329 B12R1.28 CCOCCN1CCCC(=O)C1 9e02a20c17a8e8464184bf5cbff18252 [0,1,0,1,0,0|2,0,0]=4 9330 B12R1.28 CCSCCN1CCCC(=O)C1 82e1997ed04ffcd50a4f12f115b7b645 [0,1,0,1,0,0|2,0,0]=4 9331 B12R1.28 COCCCN1CCCC(=O)C1 2aa5680b08a1e6b29cc1abd6e6cc7add [0,1,0,1,0,0|2,0,0]=4 9332 B12R1.28 COCCNC1CCCC(=O)C1 a31546639f44375468bd3ffd72509015 [0,1,0,1,0,0|2,0,0]=4 9333 B12R1.28 COCCOC1CCCC(=O)C1 e67fe5bd4f655f4a6dbb6199428a92ee [0,1,0,1,0,0|2,0,0]=4 9334 B12R1.28 COCNCC1CCCC(=O)N1 60da5f2a647bfca063268c7da015ba8f [0,1,0,1,0,0|2,0,0]=4 9335 B12R1.28 COCOCC1CCCC(=O)C1 1c43ed51fe176b8fc77b2f229a8a78ce [0,1,0,1,0,0|2,0,0]=4 9336 B12R1.28 COCOCC1CCCC(=O)N1 f5ef95501f2c9654c8d6f86a92c8dd11 [0,1,0,1,0,0|2,0,0]=4 9337 B12R1.28 COCOC[C@@H]1CCCC(=O)N1 b13672b46b270811f0e273cf9cbd7c5b [0,1,0,1,0,0|2,0,0]=4 9338 B12R1.28 COCOC[C@H]1CCCC(=O)N1 98ed857c3fac0400e75845c69dca3dd2 [0,1,0,1,0,0|2,0,0]=4 9339 B12R1.28 CSCCCN1CCCC(=O)C1 986473ce38a13ddc86f46d29d4c1c81d [0,1,0,1,0,0|2,0,0]=4 9340 B12R1.28 CSCCNC1CCCC(=O)C1 8f94e334eddfadd315b06b1c7a806911 [0,1,0,1,0,0|2,0,0]=4 9341 B12R1.28 CSCCOC1CCCC(=O)C1 875ef6ea693168c97b4f53830bebc762 [0,1,0,1,0,0|2,0,0]=4 9342 B12R1.28 CSCNCC1CCCC(=O)N1 593851a7c4afab5d4549724d6c63639e [0,1,0,1,0,0|2,0,0]=4 9343 B12R1.28 CSCOCC1CCCC(=O)C1 e5e1411a8706b14ffeab16ca3dcb8758 [0,1,0,1,0,0|2,0,0]=4 9344 B12R1.28 CSCOCC1CCCC(=O)N1 cb62c6870adf4b7ccdc50bc30987477b [0,1,0,1,0,0|2,0,0]=4 9345 B12R1.28 CSCOC[C@@H]1CCCC(=O)N1 046e295c019ff8af91ac7e2c0be17a36 [0,1,0,1,0,0|2,0,0]=4 9346 B12R1.28 CSCOC[C@H]1CCCC(=O)N1 a07f80dbed35b33650e2ccd100b3cc67 [0,1,0,1,0,0|2,0,0]=4 9347 B12R1.28 O=C1CCCC(C1)COCCF 42ba2b550ad17cb360c4dcb0547ca145 [0,1,0,1,0,0|2,0,0]=4 9348 B12R1.28 O=C1CCCC(C1)COCCS e5963e94e0783e0463c974a9d03e12fa [0,1,0,1,0,0|2,0,0]=4 9349 B12R1.28 O=C1CCCC(C1)NCCCCl 21b1931cefc0f213a4ea4180fa1e914b [0,1,0,1,0,0|2,0,0]=4 9350 B12R1.28 O=C1CCCC(C1)NCCCO fcfb84412452a98820cb8a683deeb35c [0,1,0,1,0,0|2,0,0]=4 9351 B12R1.28 O=C1CCCC(C1)OCCCF 6593c92253b7cb7fb0095b40afaebc86 [0,1,0,1,0,0|2,0,0]=4 9352 B12R1.28 O=C1CCCC(C1)OCCCS 195d2ba0a4094d0dfbce91aa7894b894 [0,1,0,1,0,0|2,0,0]=4 9353 B12R1.28 O=C1CCCC(N1)CNCCF 80fc4cccfaab456a44b5a820f6e42464 [0,1,0,1,0,0|2,0,0]=4 9354 B12R1.28 O=C1CCCC(N1)CNCCO a4e5ff373fbf123fe6f998fe88cd3e62 [0,1,0,1,0,0|2,0,0]=4 9355 B12R1.28 O=C1CCCC(N1)CNCCS 74d9a8569e71148562edae8235db64fa [0,1,0,1,0,0|2,0,0]=4 9356 B12R1.28 O=C1CCCC(N1)COCCF a5c71f6f39046a9a035bf6ef6fb5a1f1 [0,1,0,1,0,0|2,0,0]=4 9357 B12R1.28 O=C1CCCC(N1)COCCS bb4de8c98797c0f21227fd2417ebb0f6 [0,1,0,1,0,0|2,0,0]=4 9358 B12R1.28 O=C1CCCN(C1)CCCCF e8b03ef912415c5f647e67fdb1af11ff [0,1,0,1,0,0|2,0,0]=4 9359 B12R1.28 O=C1CCCN(C1)CCCCO 8d9802ebfb20cc6a23de907d129887ae [0,1,0,1,0,0|2,0,0]=4 9360 B12R1.28 O=C1CCC[C@@H](N1)COCCF 82ad8fb5c89fb5366a51fde7b25dcc4b [0,1,0,1,0,0|2,0,0]=4 9361 B12R1.28 O=C1CCC[C@@H](N1)COCCS a883ae6a7ec038d9fea409897eff3f3c [0,1,0,1,0,0|2,0,0]=4 9362 B12R1.28 O=C1CCC[C@H](N1)COCCF 90c2af8ef563674471211af53991193d [0,1,0,1,0,0|2,0,0]=4 9363 B12R1.28 O=C1CCC[C@H](N1)COCCS ac300f907cd4cc9b71c9914534e79555 [0,1,0,1,0,0|2,0,0]=4 9364 B12R1.32 CCCC(=O)CN1CCCOC1 769eaba421635c6626f243dc79705477 [0,1,0,1,0,0|2,0,0]=4 9365 B12R1.32 CCCC(=O)CN1CCCSC1 29efc3778fda0b4d44ba2051f93b502a [0,1,0,1,0,0|2,0,0]=4 9366 B12R1.32 CCCC(=O)CN1CCOCC1 f5799ae5df7eb88d40e3ffbf446b112e [0,1,0,1,0,0|2,0,0]=4 9367 B12R1.32 CCCC(=O)CN1CCSCC1 c1b16b68ca3cb245bab318447b25167e [0,1,0,1,0,0|2,0,0]=4 9368 B12R1.32 CCCC(=O)NC1C=CCCC1 36c95ec18fdc016256cc30fadeb7012e [0,1,0,1,0,0|1,0,1]=4 9369 B12R1.32 CCCC(=O)NC1CCCOC1 8c81ab714233f6309bdde7ce1479873c [0,1,0,1,0,0|1,0,0]=3 9370 B12R1.32 CCCC(=O)NC1CCOCC1 6f14188852f524783821ecb37569b134 [0,1,0,1,0,0|1,0,0]=3 9371 B12R1.32 CCCC(=O)NC1CSCSC1 62d1ab3db3b793c95a9e431bb602204f [0,1,0,1,0,0|2,0,0]=4 9372 B12R1.32 CCCC(=O)N[C@@H]1CCCOC1 2f289e113c6d947829d2418a1a352ab5 [0,1,0,1,0,0|1,0,0]=3 9373 B12R1.32 CCCC(=O)N[C@H]1CCCOC1 2030bcf89c24fc3619ae216b76b0bc8d [0,1,0,1,0,0|1,0,0]=3 9374 B12R1.32 CCCC(=S)OC1C=CCCC1 45892db4442e317a429f03e56f679402 [0,1,0,1,0,0|0,1,1]=4 9375 B12R1.32 CCCC(=S)OC1CCCCC1 052dfad4b5172ffbcf806d81aaa08654 [0,1,0,1,0,0|0,1,0]=3 9376 B12R1.32 CCCC(=S)OC1CCCCO1 340a0f5428dbc093119df15d9300674d [0,1,0,1,0,0|0,1,0]=3 9377 B12R1.32 CCCC(=S)OC1CCCOC1 116116d530abcf3fbd9a017c1fa50468 [0,1,0,1,0,0|0,1,0]=3 9378 B12R1.32 CCCC(=S)OC1CCOCC1 d88820189a5e921771b39c12b75b929b [0,1,0,1,0,0|0,1,0]=3 9379 B12R1.32 CCCC(=S)OC1CCSCC1 3cb7109ba54f2189e5fe89b900282b64 [0,1,0,1,0,0|0,1,0]=3 9380 B12R1.32 CCCC(C)OC1CCCCC1 421ec06f6239802e61e95aa5c2ba8491 [0,1,0,1,0,0|1,0,1]=4 9381 B12R1.32 CCCC(C)OC1CCCCO1 7b43abb64fce02bc6b9307b7cf4f459e [0,1,0,1,0,0|1,0,1]=4 9382 B12R1.32 CCCC(C)OC1CCCOC1 cdf31c4b692c834029e87b66c6440262 [0,1,0,1,0,0|1,0,1]=4 9383 B12R1.32 CCCC(C)OC1CCCSC1 2677329b1a3638e36c235defe3685b6c [0,1,0,1,0,0|1,0,1]=4 9384 B12R1.32 CCCC(C)OC1CCOCC1 be25720403b39ecb8a59dbcb9f1f70d7 [0,1,0,1,0,0|1,0,1]=4 9385 B12R1.32 CCCC(C)OC1CCSCC1 3fa7701469f7c29780674338ab3a7f3e [0,1,0,1,0,0|1,0,1]=4 9386 B12R1.32 CCCC(C)O[C@@H]1CCCOC1 4ba6678d835830035bd4960f48bde569 [0,1,0,1,0,0|1,0,1]=4 9387 B12R1.32 CCCC(C)O[C@H]1CCCOC1 65a78fdb58054f881e0e0d8825bd74d9 [0,1,0,1,0,0|1,0,1]=4 9388 B12R1.32 CCC[C@@H](C)OC1CCCCC1 0908953637e9ad99eed05a6ba5f9fd49 [0,1,0,1,0,0|1,0,1]=4 9389 B12R1.32 CCC[C@@H](C)OC1CCCCO1 00c964e0e50416f20373a258c181f5da [0,1,0,1,0,0|1,0,1]=4 9390 B12R1.32 CCC[C@@H](C)OC1CCCOC1 b5a4cb3870440a645b13c1afbf18fcf5 [0,1,0,1,0,0|1,0,1]=4 9391 B12R1.32 CCC[C@@H](C)OC1CCOCC1 7f4f54db3bbb6a70e5a83e6126dfc2cd [0,1,0,1,0,0|1,0,1]=4 9392 B12R1.32 CCC[C@H](C)OC1CCCCC1 548925c9b78c86f3c2d2710661e0cefc [0,1,0,1,0,0|1,0,1]=4 9393 B12R1.32 CCC[C@H](C)OC1CCCCO1 a8e121ee96425e0c8b10074314ba7370 [0,1,0,1,0,0|1,0,1]=4 9394 B12R1.32 CCC[C@H](C)OC1CCCOC1 fcaba58844fb5234c7d59de39a3ba450 [0,1,0,1,0,0|1,0,1]=4 9395 B12R1.32 CCC[C@H](C)OC1CCOCC1 736cc675ace42dcd983e624e5f4cae89 [0,1,0,1,0,0|1,0,1]=4 9396 B12R1.32 COCC(=O)NC1CCCOC1 c9578f1ff232ae1898cb1cdcafc0a7ba [0,1,0,1,0,0|2,0,0]=4 9397 B12R1.32 COCC(=O)NC1CCOCC1 be32b9ad70078ff928f6a1e40c7facc5 [0,1,0,1,0,0|2,0,0]=4 9398 B12R1.32 COCC(=O)NC1CCSCC1 601c1ea486ece73d58e3acd0d5d38587 [0,1,0,1,0,0|2,0,0]=4 9399 B12R1.32 COCC(=O)N[C@@H]1CCCOC1 aa053e09286adeb82f688f7cc0b8b84f [0,1,0,1,0,0|2,0,0]=4 9400 B12R1.32 COCC(=O)N[C@H]1CCCOC1 6cccbecaa43c08727213d3f8952221cb [0,1,0,1,0,0|2,0,0]=4 9401 B12R1.32 CSCC(=O)NC1CCOCC1 4be0bddb0f1ff65761641ff3237a1a33 [0,1,0,1,0,0|2,0,0]=4 9402 B12R1.32 O=C(CCF)NC1CCCOC1 4068bb47cb9c1c218998fcdc422ebc0d [0,1,0,1,0,0|2,0,0]=4 9403 B12R1.32 O=C(CCF)NC1CCOCC1 f755fe8c999395cb65c66159b7fc08ee [0,1,0,1,0,0|2,0,0]=4 9404 B12R1.32 O=C(CCF)N[C@@H]1CCCOC1 a89b1ff51667ede61463ccb1e6703fd3 [0,1,0,1,0,0|2,0,0]=4 9405 B12R1.32 O=C(CCF)N[C@H]1CCCOC1 8d266dc8831e522f97ccdb0c8ae7479f [0,1,0,1,0,0|2,0,0]=4 9406 B12R1.32 O=C(CCO)NC1CCCOC1 7815abe65f0bc0de88afb50cfb647981 [0,1,0,1,0,0|2,0,0]=4 9407 B12R1.32 O=C(CCO)N[C@@H]1CCCOC1 c4fde646c5b29a9e63d0b96a55300ec9 [0,1,0,1,0,0|2,0,0]=4 9408 B12R1.32 O=C(CCO)N[C@H]1CCCOC1 eef40c3ca7e99ffb37279e0a7ff16844 [0,1,0,1,0,0|2,0,0]=4 9409 B12R1.32 O=C(CCS)NC1CCCOC1 ad74fbc71e5874cb255029aadc5f38ec [0,1,0,1,0,0|2,0,0]=4 9410 B12R1.32 O=C(CCS)NC1CCOCC1 97e2e26bf7970d831d97f3e306eeb168 [0,1,0,1,0,0|2,0,0]=4 9411 B12R1.32 O=C(CCS)N[C@@H]1CCCOC1 04c5b1d5b87ac8b9c3a041ec585ad0b5 [0,1,0,1,0,0|2,0,0]=4 9412 B12R1.32 O=C(CCS)N[C@H]1CCCOC1 c207270393ceeb781f3e0838b781f3ef [0,1,0,1,0,0|2,0,0]=4 9413 B12R1.37 CCCCCCOC1CCCC1 ad37668a338fb8b33c00afd23f72169f [0,1,0,1,0,0|1,0,1]=4 9414 B12R1.37 CCCCCCOC1CCCO1 a784d5baf1031429a7cb4335edc7e840 [0,1,0,1,0,0|0,0,2]=4 9415 B12R1.37 CCCCCOCC1CCCC1 e97d112a2e848a12e86b8c9fd801cfa4 [0,1,0,1,0,0|1,0,1]=4 9416 B12R1.37 CCCCCOCC1CCCO1 43d5eecb03049bb2b0418e1f8450fb4f [0,1,0,1,0,0|0,0,2]=4 9417 B12R1.37 CCCCCOCC1CCCS1 6d89800d6686c491f9af4553db7b2b4f [0,1,0,1,0,0|0,1,1]=4 9418 B12R1.37 CCCCCOCN1CCCC1 51b09504992d10338654c34ecbe1eaa0 [0,1,0,1,0,0|2,0,0]=4 9419 B12R1.37 CCCCCOC[C@@H]1CCCO1 167d70c4f06b79f05d0a5663da79cc95 [0,1,0,1,0,0|0,0,2]=4 9420 B12R1.37 CCCCCOC[C@H]1CCCO1 51a1bede5e76b985ae823936b91eb589 [0,1,0,1,0,0|0,0,2]=4 9421 B12R1.37 CCCCOCC=C1CCCC1 c286f48e9c0d0841b8001221eb2f77c9 [0,1,0,1,0,0|2,0,0]=4 9422 B12R1.37 CCCCOCOC1CCCC1 ef722b9818a52d7112d0ae8c7f4c4698 [0,1,0,1,0,0|1,0,1]=4 9423 B12R1.37 CCCCOCOC1CCCO1 fa8db85d7b968529ccfc556c9db76d88 [0,1,0,1,0,0|0,0,2]=4 9424 B12R1.37 CCCNCCOC1CCCC1 274068501a8a3efbc408a58c94630122 [0,1,0,1,0,0|1,0,1]=4 9425 B12R1.37 CCCOCCOC1CCCC1 c80e8da506d8480385814b3404fed60d [0,1,0,1,0,0|1,0,1]=4 9426 B12R1.37 CCCOCCOC1CCCO1 a8e40faedfefd54e2636ad01fc02e60e [0,1,0,1,0,0|0,0,2]=4 9427 B12R1.37 CCCSCCOC1CCCC1 2f27a6e05207d6a58079b65eccbd2f19 [0,1,0,1,0,0|1,0,1]=4 9428 B12R1.37 CCNCCCOC1CCCC1 abfd19ece55a006bc8748a311e8dcae7 [0,1,0,1,0,0|1,0,1]=4 9429 B12R1.37 CCOCCCOC1CCCC1 eb58e1f7e79c7f95c39cc57d0ee88817 [0,1,0,1,0,0|1,0,1]=4 9430 B12R1.37 CCOCCCOC1CCCO1 9849c8cf484c1ab34387c61b6aaba01a [0,1,0,1,0,0|0,0,2]=4 9431 B12R1.37 CCSCCCOC1CCCC1 bcbad6928ef847a1d78b7eddc76fdbdd [0,1,0,1,0,0|1,0,1]=4 9432 B12R1.37 CCSCCCOC1CCCO1 575d3668446e568977eecb6aa0ac5d9f [0,1,0,1,0,0|0,0,2]=4 9433 B12R1.37 COCCCCOC1CCCC1 0be30c7079179fb4b6a7ad834a97a031 [0,1,0,1,0,0|1,0,1]=4 9434 B12R1.37 COCCCCOC1CCCO1 5fdd7271538ebbf612e25a7900b9b8c5 [0,1,0,1,0,0|0,0,2]=4 9435 B12R1.37 CSCCCCOC1CCCC1 f0be1bbff803e3eebf2fe4932f42e1b5 [0,1,0,1,0,0|1,0,1]=4 9436 B12R1.37 FCCCCCOC1CCCC1 23051dc4760d0b499ed8ccdd54d8a26b [0,1,0,1,0,0|1,0,1]=4 9437 B12R1.37 FCCCCCOC1CCCO1 f20d7ca93e907a22c265e1113c51af24 [0,1,0,1,0,0|0,0,2]=4 9438 B12R1.51 CCCC(=O)CNC1CCCC1 9a4a4d9626f3134efce8838d40eda105 [0,1,0,1,0,0|1,0,0]=3 9439 B12R1.51 CCCC(=O)CNC1CCOC1 f9e6ee9fcd5be37bb4f77dce6f2da932 [0,1,0,1,0,0|2,0,0]=4 9440 B12R1.51 CCCC(=O)CNC1CCSC1 2cb8c61f9ee58230a841f169c214a86c [0,1,0,1,0,0|2,0,0]=4 9441 B12R1.51 CCCC(=O)CN[C@@H]1CCOC1 c17cf99b00e6bd3c607b3de76f333215 [0,1,0,1,0,0|2,0,0]=4 9442 B12R1.51 CCCC(=O)CN[C@H]1CCOC1 70f17281322063fdb53463276d567ac0 [0,1,0,1,0,0|2,0,0]=4 9443 B12R1.51 CCCC(=O)COC1C=CCC1 e2d01f708d19cdc3147b14c6e250c5b8 [0,1,0,1,0,0|0,0,2]=4 9444 B12R1.51 CCCC(=O)COC1CC=CC1 76d5745bc493b5208f19aa5859922f6e [0,1,0,1,0,0|0,0,2]=4 9445 B12R1.51 CCCC(=O)COC1CCCC1 4071714b381bd78a53d7cf9e1365d50f [0,1,0,1,0,0|0,0,0]=2 9446 B12R1.51 CCCC(=O)COC1CCCO1 57a2688735a65f75410539ea4e47637c [0,1,0,1,0,0|1,0,0]=3 9447 B12R1.51 CCCC(=O)COC1CCOC1 465a3d8f8145bed685a2535c60f725bf [0,1,0,1,0,0|1,0,0]=3 9448 B12R1.51 CCCC(=O)COC1CCSC1 acce18c85ef129b02cbf737e34806cba [0,1,0,1,0,0|1,0,0]=3 9449 B12R1.51 CCCC(=O)CO[C@@H]1CCOC1 04bea930988411b195803f903f1d18af [0,1,0,1,0,0|1,0,0]=3 9450 B12R1.51 CCCC(=O)CO[C@@H]1CCSC1 02b931fa3999a2b72644140dbab23e7e [0,1,0,1,0,0|1,0,0]=3 9451 B12R1.51 CCCC(=O)CO[C@H]1CCOC1 cec648ad9dd32184675609608d128867 [0,1,0,1,0,0|1,0,0]=3 9452 B12R1.51 CCCC(=O)CO[C@H]1CCSC1 5fc01749ae16840b02a1cee6e6f6721b [0,1,0,1,0,0|1,0,0]=3 9453 B12R1.51 CCCC(=O)NCC1CC=CC1 b7e9005608be16444c4d1e1a45480565 [0,1,0,1,0,0|1,0,1]=4 9454 B12R1.51 CCCC(=O)NCC1CCCC1 cfcb200415709c214a1d801f83e6a4b6 [0,1,0,1,0,0|1,0,0]=3 9455 B12R1.51 CCCC(=O)NCC1CCCO1 e4a03b1f607ff098a7b99b505f41ca9d [0,1,0,1,0,0|1,0,0]=3 9456 B12R1.51 CCCC(=O)NCC1CCOC1 0059562e061f3db7f993cab5ce4b010a [0,1,0,1,0,0|1,0,0]=3 9457 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 fa412fcaf3ac17029c350efdfa77a0ca [0,1,0,1,0,0|1,0,0]=3 9458 B12R1.51 CCCC(=O)NC[C@@H]1CCOC1 142bbab18148f83d6a881c091ad157d7 [0,1,0,1,0,0|1,0,0]=3 9459 B12R1.51 CCCC(=O)NC[C@H]1CCCO1 09ba24c92f7c743a1d210609eeb0d318 [0,1,0,1,0,0|1,0,0]=3 9460 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 90f0df9a6003c98e94f82e7235bcb390 [0,1,0,1,0,0|1,0,0]=3 9461 B12R1.51 CCCC(=O)OCN1CC=CC1 3fc29dbb67c21514fc1bff5d56ee4c98 [0,1,0,1,0,0|0,0,2]=4 9462 B12R1.51 CCCC(=O)OCN1CCSC1 9a8d222f261a1ed1c068662b128ae5a1 [0,1,0,1,0,0|1,0,0]=3 9463 B12R1.51 CCCC(=S)OCC1=CCCC1 b2f2478f9267ed016c7a562ce03e2a3c [0,1,0,1,0,0|0,1,1]=4 9464 B12R1.51 CCCC(=S)OCC1CC=CC1 34c831f54484936066bb4a1f36421cbb [0,1,0,1,0,0|0,1,1]=4 9465 B12R1.51 CCCC(=S)OCC1CCCC1 dbb56b416236bceabe144b79562a70fc [0,1,0,1,0,0|0,1,0]=3 9466 B12R1.51 CCCC(=S)OCC1CCCO1 b0b7deffb14dc9b7b714948792f41892 [0,1,0,1,0,0|0,1,0]=3 9467 B12R1.51 CCCC(=S)OCC1CCOC1 96f491f1917c321df4bf780870050342 [0,1,0,1,0,0|0,1,0]=3 9468 B12R1.51 CCCC(C)COC1CCCC1 1cb99423b3f8c2cbdac8897419e11b4d [0,1,0,1,0,0|1,0,1]=4 9469 B12R1.51 CCCC(C)COC1CCCO1 b4ced65e45eb8d70ef453cfd16166fa2 [0,1,0,1,0,0|0,0,2]=4 9470 B12R1.51 CCCC(C)OCC1CCCC1 1808933eb5de90ba7eaa5373a0c14484 [0,1,0,1,0,0|1,0,1]=4 9471 B12R1.51 CCCC(C)OCC1CCCO1 f9b187f6ca284fcc83cf9580d2a6b19a [0,1,0,1,0,0|1,0,1]=4 9472 B12R1.51 CCCC(C)OCC1CCCS1 85fb708e4034a414380440c69e9c1c21 [0,1,0,1,0,0|1,0,1]=4 9473 B12R1.51 CCCC(C)OCC1CCOC1 686ad168a67809c743ee521dc11721ed [0,1,0,1,0,0|1,0,1]=4 9474 B12R1.51 CCCC(C)OCN1CCCC1 92340d4cff1408ff8ec9e0cf124063ff [0,1,0,1,0,0|1,0,1]=4 9475 B12R1.51 CCCC(C)OC[C@@H]1CCCO1 fc073b0267cd3b0a3dc9e7d6262160f9 [0,1,0,1,0,0|1,0,1]=4 9476 B12R1.51 CCCC(C)OC[C@@H]1CCOC1 f624df10708dd34f7ae3ca69ba18c80d [0,1,0,1,0,0|1,0,1]=4 9477 B12R1.51 CCCC(C)OC[C@H]1CCCO1 429e40dcdb6d69fb6e4bdd5d7b4910ed [0,1,0,1,0,0|1,0,1]=4 9478 B12R1.51 CCCC(C)OC[C@H]1CCOC1 317058b2f77f78dc6cd12a471a6fc861 [0,1,0,1,0,0|1,0,1]=4 9479 B12R1.51 CCC[C@@H](C)OCC1CCCC1 4d8e153605cd37943335cc3be94c5e7c [0,1,0,1,0,0|1,0,1]=4 9480 B12R1.51 CCC[C@@H](C)OCC1CCCO1 c92f0295cf0b410da1ba5b9eeb1c4365 [0,1,0,1,0,0|1,0,1]=4 9481 B12R1.51 CCC[C@@H](C)OCC1CCOC1 9d4730236e439fbd1c94395ea6d37c82 [0,1,0,1,0,0|1,0,1]=4 9482 B12R1.51 CCC[C@H](C)OCC1CCCC1 b9ce31dd9a49392e934bb36b943ecb9e [0,1,0,1,0,0|1,0,1]=4 9483 B12R1.51 CCC[C@H](C)OCC1CCCO1 e671b0d46e44d9456c79af588c8e3434 [0,1,0,1,0,0|1,0,1]=4 9484 B12R1.51 CCC[C@H](C)OCC1CCOC1 c72b71bb812057371cc2770ebb57e7c2 [0,1,0,1,0,0|1,0,1]=4 9485 B12R1.51 CCNC(=O)CNC1CCCC1 65f1b988041f696ddd11740c100fca07 [0,1,0,1,0,0|2,0,0]=4 9486 B12R1.51 CCNC(=O)COC1CCCC1 a35c2466cf72cd04a0d31e930cbcfefc [0,1,0,1,0,0|1,0,0]=3 9487 B12R1.51 CCNC(=O)COC1CCCO1 384581e3172f5d40036c2d5de48039d0 [0,1,0,1,0,0|2,0,0]=4 9488 B12R1.51 CCNC(=O)COC1CCOC1 3f3118bf05b2f0a63fca6b94dc9c5286 [0,1,0,1,0,0|2,0,0]=4 9489 B12R1.51 CCNC(=O)COC1CCSC1 3e38c9efce0986fe356d1e8ed39fa1f0 [0,1,0,1,0,0|2,0,0]=4 9490 B12R1.51 CCNC(=O)CO[C@@H]1CCOC1 e76968f0df8b307e24074226f77ddc69 [0,1,0,1,0,0|2,0,0]=4 9491 B12R1.51 CCNC(=O)CO[C@@H]1CCSC1 b00ebaa349b96bee4af587cca1b37574 [0,1,0,1,0,0|2,0,0]=4 9492 B12R1.51 CCNC(=O)CO[C@H]1CCOC1 045af1905a281169ccd8893b11e04943 [0,1,0,1,0,0|2,0,0]=4 9493 B12R1.51 CCNC(=O)CO[C@H]1CCSC1 b17cbc27126969d27b3bdc59cb1eec24 [0,1,0,1,0,0|2,0,0]=4 9494 B12R1.51 CCOC(=O)CNC1CCCC1 a385a38555c8482595f001367ab698e4 [0,1,0,1,0,0|2,0,0]=4 9495 B12R1.51 CCOC(=O)COC1CCCC1 ac71fdfb9de8db34ecb53d8b4837512e [0,1,0,1,0,0|1,0,0]=3 9496 B12R1.51 CCOC(=O)COC1CCCO1 15122d4990e6299de769df253b8bae33 [0,1,0,1,0,0|2,0,0]=4 9497 B12R1.51 CCOC(=O)COC1CCOC1 e075d20b1f4b4853c7c0008af73b8651 [0,1,0,1,0,0|2,0,0]=4 9498 B12R1.51 CCOC(=O)COC1CCSC1 aa6f104934bfa7f1942f8351edda9578 [0,1,0,1,0,0|2,0,0]=4 9499 B12R1.51 CCOC(=O)CO[C@@H]1CCOC1 d9e7bc09415f3472719b11e4da4c849c [0,1,0,1,0,0|2,0,0]=4 9500 B12R1.51 CCOC(=O)CO[C@@H]1CCSC1 18ddbe86bc650c2d7ee88d44cc332a14 [0,1,0,1,0,0|2,0,0]=4 9501 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 432181344588cb91755ea96d4c582896 [0,1,0,1,0,0|2,0,0]=4 9502 B12R1.51 CCOC(=O)CO[C@H]1CCSC1 5696919801ae7814c9bce5f97c9d4230 [0,1,0,1,0,0|2,0,0]=4 9503 B12R1.51 CCOC(=O)OCN1CCSC1 fc8424ac7542eab8b6b5bd6546b67859 [0,1,0,1,0,0|2,0,0]=4 9504 B12R1.51 CCSC(=O)OCN1CCSC1 fad3853a73eb4b2c8f508e39ec9a1fa8 [0,1,0,1,0,0|2,0,0]=4 9505 B12R1.51 COCC(=O)CNC1CCCC1 3eb4736d2ac65401488d3c966c319dd4 [0,1,0,1,0,0|2,0,0]=4 9506 B12R1.51 COCC(=O)COC1CCCC1 8df1326a8ad57557cf382b6bcdf97036 [0,1,0,1,0,0|1,0,0]=3 9507 B12R1.51 COCC(=O)COC1CCCO1 3eb532a1296cad116dbd7da0df2554b0 [0,1,0,1,0,0|2,0,0]=4 9508 B12R1.51 COCC(=O)COC1CCOC1 1a24f464741830694f9c1a044b57ff52 [0,1,0,1,0,0|2,0,0]=4 9509 B12R1.51 COCC(=O)CO[C@@H]1CCOC1 d94d351722bf1fc67a3154fa08587c78 [0,1,0,1,0,0|2,0,0]=4 9510 B12R1.51 COCC(=O)CO[C@H]1CCOC1 6293fc07cd3fa497ef276651c6fd2b34 [0,1,0,1,0,0|2,0,0]=4 9511 B12R1.51 COCC(=O)NCC1CCCC1 5df29ac1f4d18d74192d82ee7a059590 [0,1,0,1,0,0|2,0,0]=4 9512 B12R1.51 COCC(=O)NCC1CCCO1 3e1d7aea831bcb4f8a3925fd197734bc [0,1,0,1,0,0|2,0,0]=4 9513 B12R1.51 COCC(=O)NCC1CCOC1 3e845f31a40ae2c396314dc9c52b730a [0,1,0,1,0,0|2,0,0]=4 9514 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 e29ebd924b7718979399596f02e1c2f5 [0,1,0,1,0,0|2,0,0]=4 9515 B12R1.51 COCC(=O)NC[C@@H]1CCOC1 663e1af38e680b06b5fc8fbf19b72c25 [0,1,0,1,0,0|2,0,0]=4 9516 B12R1.51 COCC(=O)NC[C@H]1CCCO1 ba19568ab494426171d2c741ba0d6deb [0,1,0,1,0,0|2,0,0]=4 9517 B12R1.51 COCC(=O)NC[C@H]1CCOC1 9fc7e454051a67338d5fb09dcdaf6701 [0,1,0,1,0,0|2,0,0]=4 9518 B12R1.51 CSCC(=O)NCC1CCCC1 3ec106889c89688efa216fb15eb6567a [0,1,0,1,0,0|2,0,0]=4 9519 B12R1.51 CSCC(=O)NCC1CCCO1 1a7c13392a02383c0ff9aa95c37e9d34 [0,1,0,1,0,0|2,0,0]=4 9520 B12R1.51 CSCC(=O)NCC1CCOC1 ec942e59531a329f1eb1227fadef2cd6 [0,1,0,1,0,0|2,0,0]=4 9521 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 c002d059d7699cc6b2c34d70b60941e0 [0,1,0,1,0,0|2,0,0]=4 9522 B12R1.51 CSCC(=O)NC[C@@H]1CCOC1 c43c866d879cb245d7b46e55b35e93cf [0,1,0,1,0,0|2,0,0]=4 9523 B12R1.51 CSCC(=O)NC[C@H]1CCCO1 8eecf5c799de2e76e84d950d90bf7567 [0,1,0,1,0,0|2,0,0]=4 9524 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 1ae1b775d5849ae7116c1a544e16d4a1 [0,1,0,1,0,0|2,0,0]=4 9525 B12R1.51 O=C(CCF)NCC1CCCC1 b2452aeae29ad7c9bbfc9d4a5e63bc5f [0,1,0,1,0,0|2,0,0]=4 9526 B12R1.51 O=C(CCF)NCC1CCCO1 80af6f68d9167c55911b66c422415169 [0,1,0,1,0,0|2,0,0]=4 9527 B12R1.51 O=C(CCF)NCC1CCOC1 a9898fa085228da07933206e70b1b43b [0,1,0,1,0,0|2,0,0]=4 9528 B12R1.51 O=C(CCF)NC[C@@H]1CCCO1 b8da5523535daa551e6f4695c788cb11 [0,1,0,1,0,0|2,0,0]=4 9529 B12R1.51 O=C(CCF)NC[C@@H]1CCOC1 c0284008d33072450b623d95a6e793d5 [0,1,0,1,0,0|2,0,0]=4 9530 B12R1.51 O=C(CCF)NC[C@H]1CCCO1 0a38a4102df85dd7f063628bb8182f32 [0,1,0,1,0,0|2,0,0]=4 9531 B12R1.51 O=C(CCF)NC[C@H]1CCOC1 5a59f5b26cd6c56b11d387eabe84d7aa [0,1,0,1,0,0|2,0,0]=4 9532 B12R1.51 O=C(CCO)NCC1CCCC1 0e6efe94600c3b09dba4f7d419378823 [0,1,0,1,0,0|2,0,0]=4 9533 B12R1.51 O=C(CCO)NCC1CCCO1 d20e439d1a721581ff2df4b012d978a9 [0,1,0,1,0,0|2,0,0]=4 9534 B12R1.51 O=C(CCO)NCC1CCOC1 e32827993011305de429e871e1fd66a3 [0,1,0,1,0,0|2,0,0]=4 9535 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 35d72620ecf7842f82f15f9a1e3f1c94 [0,1,0,1,0,0|2,0,0]=4 9536 B12R1.51 O=C(CCO)NC[C@@H]1CCOC1 9fa6dfb35ed7e604cfe4137c36ce7577 [0,1,0,1,0,0|2,0,0]=4 9537 B12R1.51 O=C(CCO)NC[C@H]1CCCO1 e093b56b61eb1c2f825b31975d81ec9b [0,1,0,1,0,0|2,0,0]=4 9538 B12R1.51 O=C(CCO)NC[C@H]1CCOC1 71bc53462ec6b650075e3a8e1e94e89d [0,1,0,1,0,0|2,0,0]=4 9539 B12R1.51 O=C(CCS)NCC1CCCC1 aa4b678e4a693fe89ef8a8bb4cb10536 [0,1,0,1,0,0|2,0,0]=4 9540 B12R1.51 O=C(CCS)NCC1CCCO1 88b89f89c89ac89eb9f1e2a6879b0523 [0,1,0,1,0,0|2,0,0]=4 9541 B12R1.51 O=C(CCS)NCC1CCOC1 8c2c779bdc5780bf9d92f6afe9607d7b [0,1,0,1,0,0|2,0,0]=4 9542 B12R1.51 O=C(CCS)NC[C@@H]1CCCO1 322ebbbee1d50e631ebbe19a0c27726f [0,1,0,1,0,0|2,0,0]=4 9543 B12R1.51 O=C(CCS)NC[C@@H]1CCOC1 1c4c3f3874a7aedeb27c044dbab5ebc4 [0,1,0,1,0,0|2,0,0]=4 9544 B12R1.51 O=C(CCS)NC[C@H]1CCCO1 3dc9c2241d36984c25353d1888311c50 [0,1,0,1,0,0|2,0,0]=4 9545 B12R1.51 O=C(CCS)NC[C@H]1CCOC1 37ada72e8bb021fcb5fc61f87e09184e [0,1,0,1,0,0|2,0,0]=4 9546 B12R1.62 CC1CC(C1)OCCCCCF 3959368730b2b7311c1f7de01a72bcd3 [0,1,0,1,0,0|1,0,1]=4 9547 B12R1.62 CCCCCCOC1CC(C1)C e966a836f2b197cf8ad713c9b339774b [0,1,0,1,0,0|1,0,1]=4 9548 B12R1.62 CCCCCOCC1CC(C1)C 3a6cb5d1c209f45d6f8e668c6d74dd74 [0,1,0,1,0,0|1,0,1]=4 9549 B12R1.62 CCCCCOC[C@H]1C[C@@H](C1)C 951995e3402497a979761cd93473d99d [0,1,0,1,0,0|1,0,1]=4 9550 B12R1.62 CCCCOCOC1CC(C1)C 8853c092a97ef52303488fabc3048927 [0,1,0,1,0,0|1,0,1]=4 9551 B12R1.62 CCCOCCOC1CC(C1)C 68014652fdddae818f966e40cffb81ee [0,1,0,1,0,0|1,0,1]=4 9552 B12R1.62 CCOCCCOC1CC(C1)C 0afd17c6297a61f7ce2429b0592943a8 [0,1,0,1,0,0|1,0,1]=4 9553 B12R1.62 CCSCCCOC1CC(C1)C a539028e4c250e0b12ae292edd424456 [0,1,0,1,0,0|1,0,1]=4 9554 B12R1.62 COCCCCOC1CC(C1)C e6d30c45d7e04c7fa24e8ee72dae3a75 [0,1,0,1,0,0|1,0,1]=4 9555 B12R1.69 CC1CC(=O)CCC1OCCF 04b15514f1b6b5aa1ef59c959bf5264f [0,1,0,1,0,0|2,0,0]=4 9556 B12R1.69 CC1CC(=O)CCC1OCCS da2622ca397c6f52f0dd9ee686d07edf [0,1,0,1,0,0|2,0,0]=4 9557 B12R1.69 CCCOC1CCC(=O)CC1C 89bf2ebc9c694040d723abd3742c1391 [0,1,0,1,0,0|1,0,0]=3 9558 B12R1.69 CCCOC1CCC(=O)NC1C 90e42a045e5bef164d4cf242fdfc5773 [0,1,0,1,0,0|2,0,0]=4 9559 B12R1.69 COCOC1CCC(=O)CC1C d1ccbbaf661c3f87fdb0b87a2a02e63f [0,1,0,1,0,0|2,0,0]=4 9560 B12R1.69 CSCOC1CCC(=O)CC1C b3f5250c17ca99f1e92748d3c2739a7f [0,1,0,1,0,0|2,0,0]=4 9561 B12R1.172 CCOC1CCCC(=O)CCC1 09769734fda33316df4cb84bd1d8e6bd [0,1,0,1,0,0|1,0,0]=3 9562 B12R1.172 O=C1CCCC(CCC1)OCF 4203a62c5d935487b655366ad66e0a95 [0,1,0,1,0,0|2,0,0]=4 9563 B12R1.308 CC1CCCCN1C(=O)CCF 7b8a5b460e8159c07dbad5e3c921a47c [0,1,0,1,0,0|2,0,0]=4 9564 B12R1.308 CC1CCCCN1C(=O)CCO 19c356f7216d272ff32bd4545ad884be [0,1,0,1,0,0|2,0,0]=4 9565 B12R1.308 CC1CCCCN1C(=O)CCS d2d9d594554916f20357a326c3f43458 [0,1,0,1,0,0|2,0,0]=4 9566 B12R1.308 CC1COCCN1C(=O)CCF d81d96e9a253751924755a3405f9b26f [0,1,0,1,0,0|2,0,0]=4 9567 B12R1.308 CC1COCCN1C(=O)CCO 7c801ff2dcb30c59a2494c7655449f5b [0,1,0,1,0,0|2,0,0]=4 9568 B12R1.308 CC1COCCN1C(=O)CCS 0fc27cbbbb739ab97d46ba02da0b7fd6 [0,1,0,1,0,0|2,0,0]=4 9569 B12R1.308 CCCC(=O)N1CCCCC1C 7d075d0c0acf0d9446431e41494dcc3e [0,1,0,1,0,0|1,0,0]=3 9570 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C 5e8ed4ab5c1c0bd8bb3ebc86f1d3822a [0,1,0,1,0,0|1,0,0]=3 9571 B12R1.308 CCCC(=O)N1CCCC[C@H]1C eb466f6802ecb7cb17e439645fd356fd [0,1,0,1,0,0|1,0,0]=3 9572 B12R1.308 CCCC(=O)N1CCOCC1C 67f11d72198c4e0ad84fe5a87f254c29 [0,1,0,1,0,0|1,0,0]=3 9573 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C de7974f38d7981d624657fcb83be6501 [0,1,0,1,0,0|1,0,0]=3 9574 B12R1.308 CCCC(=O)N1CCOC[C@H]1C 5ed03702f0027c4b56db85ef9735dc22 [0,1,0,1,0,0|1,0,0]=3 9575 B12R1.308 COCC(=O)N1CCCCC1C fba159af9f1c69e71f1edfe954b7830b [0,1,0,1,0,0|2,0,0]=4 9576 B12R1.308 COCC(=O)N1CCCC[C@@H]1C 61ab9f316916c39a3a7a4be95036a412 [0,1,0,1,0,0|2,0,0]=4 9577 B12R1.308 COCC(=O)N1CCCC[C@H]1C 938ef73806a1e383b6391f3fcf736dd0 [0,1,0,1,0,0|2,0,0]=4 9578 B12R1.308 COCC(=O)N1CCOCC1C af5de2d39a472245052e0fecba5eb710 [0,1,0,1,0,0|2,0,0]=4 9579 B12R1.308 COCC(=O)N1CCOC[C@@H]1C d1ab13b442697021bcb8a5babec0d0e6 [0,1,0,1,0,0|2,0,0]=4 9580 B12R1.308 COCC(=O)N1CCOC[C@H]1C 1dc755cc1097f3b819ba431e61f8881e [0,1,0,1,0,0|2,0,0]=4 9581 B12R1.308 CSCC(=O)N1CCCCC1C 14a27e8d39b6374d7abc68da3a1ce64b [0,1,0,1,0,0|2,0,0]=4 9582 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C 044ff204d2ad41dfe9fb7d4d636436ae [0,1,0,1,0,0|2,0,0]=4 9583 B12R1.308 CSCC(=O)N1CCCC[C@H]1C 2533225d2158143b6d105536f4812abb [0,1,0,1,0,0|2,0,0]=4 9584 B12R1.308 CSCC(=O)N1CCOCC1C 54380c3b6621c3f43625bcc8b6f28713 [0,1,0,1,0,0|2,0,0]=4 9585 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C e02b7c54e4917b77201a2367010a4298 [0,1,0,1,0,0|2,0,0]=4 9586 B12R1.308 CSCC(=O)N1CCOC[C@H]1C c5a54748386e22190c8ba93fc8a59ca4 [0,1,0,1,0,0|2,0,0]=4 9587 B12R1.308 C[C@@H]1CCCCN1C(=O)CCF ceb9043a0baef29cf57044ffdc517d38 [0,1,0,1,0,0|2,0,0]=4 9588 B12R1.308 C[C@@H]1CCCCN1C(=O)CCO c3f94124ef8e1ea08c8e16a10c70c853 [0,1,0,1,0,0|2,0,0]=4 9589 B12R1.308 C[C@@H]1CCCCN1C(=O)CCS ee6d5fb342fc6fba89c25f2e9f4665f1 [0,1,0,1,0,0|2,0,0]=4 9590 B12R1.308 C[C@@H]1COCCN1C(=O)CCF d3065ef6da2fea2e8765d9d2e4fedf41 [0,1,0,1,0,0|2,0,0]=4 9591 B12R1.308 C[C@@H]1COCCN1C(=O)CCO 8895bb11a8efb45f5ef7952add5db1c3 [0,1,0,1,0,0|2,0,0]=4 9592 B12R1.308 C[C@@H]1COCCN1C(=O)CCS dece6789104dc985f1f6023695decc78 [0,1,0,1,0,0|2,0,0]=4 9593 B12R1.308 C[C@H]1CCCCN1C(=O)CCF a8bdaf06cd123d1100398ebe0a19ea09 [0,1,0,1,0,0|2,0,0]=4 9594 B12R1.308 C[C@H]1CCCCN1C(=O)CCO 74eed4db8a26914875a04cd88c8a2b70 [0,1,0,1,0,0|2,0,0]=4 9595 B12R1.308 C[C@H]1CCCCN1C(=O)CCS 5b4de33745f2d384510be5481d908e39 [0,1,0,1,0,0|2,0,0]=4 9596 B12R1.308 C[C@H]1COCCN1C(=O)CCF be7eb60f4053c7ec5910261aaa0933e8 [0,1,0,1,0,0|2,0,0]=4 9597 B12R1.308 C[C@H]1COCCN1C(=O)CCO e0b29c368b546af484089fa58f7ca1bd [0,1,0,1,0,0|2,0,0]=4 9598 B12R1.308 C[C@H]1COCCN1C(=O)CCS bc9f604a1db324118e880a46a3834a78 [0,1,0,1,0,0|2,0,0]=4 9599 B12R1.309 CCCC(=O)CN[C@@H]1C[C@@H]1OC 4717ca0a8840aa6426b46275deee30f6 [0,1,0,1,0,0|2,0,0]=4 9600 B12R1.309 CCCC(=O)CN[C@@H]1C[C@H]1CO c4c7292b261f768b7016f2d527c032b8 [0,1,0,1,0,0|2,0,0]=4 9601 B12R1.309 CCCC(=O)CN[C@H]1C[C@@H]1CO 68338b47114ef65cacdf7333c3ca25ef [0,1,0,1,0,0|2,0,0]=4 9602 B12R1.309 CCCC(=O)CN[C@H]1C[C@H]1CO 647806f5ef9ca28e8e5caac3cac50d47 [0,1,0,1,0,0|2,0,0]=4 9603 B12R1.309 CCCC(=O)NCC1CC1CO e21ac12da69a5aef29f121abc9b66377 [0,1,0,1,0,0|1,0,0]=3 9604 B12R1.309 COCC(=O)NCC1CC1CO 94001698b5339731c060185e3eaa6c2c [0,1,0,1,0,0|2,0,0]=4 9605 B12R1.309 CSCC(=O)NCC1CC1CO 899e7a1dfc58904640b87be302077e27 [0,1,0,1,0,0|2,0,0]=4 9606 B12R1.309 O=C(CCF)NCC1CC1CO 2b3a9fa9ec9b648a71f8f549165f73f6 [0,1,0,1,0,0|2,0,0]=4 9607 B12R1.309 O=C(CCO)NCC1CC1CO a6f2ee7ab7868e306b9963ff524f8000 [0,1,0,1,0,0|2,0,0]=4 9608 B12R1.309 O=C(CCS)NCC1CC1CO a8f84493ef7667769981fdd1daf93c50 [0,1,0,1,0,0|2,0,0]=4 9609 B12R1.310 CCCC(=O)CNCCC1CC1 b8dac4d3972853401f1f9626ab0f926b [0,1,0,1,0,0|1,0,0]=3 9610 B12R1.310 CCCC(=O)CNCCN1CC1 d41f874c88bdfc4c1e71113647250be1 [0,1,0,1,0,0|2,0,0]=4 9611 B12R1.310 CCCC(=O)COCCC1CC1 b402d66c3a5794f8e89c82fe4622ea35 [0,1,0,1,0,0|0,0,0]=2 9612 B12R1.310 CCCC(=O)COCCN1CC1 8c6bfffa396c0206ba26b78a44405ca9 [0,1,0,1,0,0|1,0,0]=3 9613 B12R1.310 CCCC(=O)NCCOC1CC1 5eef59f7cdc291e46b19d99b5f39e8f3 [0,1,0,1,0,0|1,0,0]=3 9614 B12R1.310 CCCC(=O)OCCOC1CC1 c6355cd2c488ee5c8251c82f789bd58c [0,1,0,1,0,0|0,0,0]=2 9615 B12R1.310 CCCC(=O)OCNCC1CC1 5054915f96cb1a18ad842b1948acbcc8 [0,1,0,1,0,0|0,0,0]=2 9616 B12R1.310 CCCC(=O)OCOCC1CC1 827ee871609f5dfa9d7df47c0a9a3eef [0,1,0,1,0,0|0,0,0]=2 9617 B12R1.310 CCCC(=S)OCCOC1CC1 ed2b16a5dde6b35df010eab9e0bf1589 [0,1,0,1,0,0|0,1,0]=3 9618 B12R1.310 CCCC(C)COCCC1CC1 37278c7da780aad024b4c064a4c84757 [0,1,0,1,0,0|1,0,1]=4 9619 B12R1.310 CCCC(C)OCCCC1CC1 1ea5b09d6e8dcb94d0f8acbc09921d35 [0,1,0,1,0,0|1,0,1]=4 9620 B12R1.310 CCCC(C)OCCOC1CC1 cf04836d2bb4d35701252a0e12834c4a [0,1,0,1,0,0|1,0,1]=4 9621 B12R1.310 CCC[C@@H](C)OCCOC1CC1 f814fe667a85066061607ad4ee8a0cf8 [0,1,0,1,0,0|1,0,1]=4 9622 B12R1.310 CCC[C@H](C)OCCOC1CC1 fa07b01a3ba603b89f0f927fb74e9fcb [0,1,0,1,0,0|1,0,1]=4 9623 B12R1.310 CCNC(=O)CCNCC1CC1 3c1a832a86a7dc9d6c3f06dbc393f017 [0,1,0,1,0,0|2,0,0]=4 9624 B12R1.310 CCNC(=O)CCOCC1CC1 61e8f3bf495d8d92ee17b6c5e62c46ba [0,1,0,1,0,0|2,0,0]=4 9625 B12R1.310 CCNC(=O)CNCCC1CC1 8ad3b04a6e9f0c816c521baa85f43402 [0,1,0,1,0,0|2,0,0]=4 9626 B12R1.310 CCNC(=O)COCCC1CC1 e276248ced3940d7460cf97579f1b9ea [0,1,0,1,0,0|1,0,0]=3 9627 B12R1.310 CCNC(=O)COCCN1CC1 84dcfba3fe6c156842a9d72ed7657714 [0,1,0,1,0,0|2,0,0]=4 9628 B12R1.310 CCOC(=O)CCCNC1CC1 77dd52c73571f9442c46d8beeccc943a [0,1,0,1,0,0|2,0,0]=4 9629 B12R1.310 CCOC(=O)CCCOC1CC1 3d3a83f15beb306bdfdc95ab152c9887 [0,1,0,1,0,0|2,0,0]=4 9630 B12R1.310 CCOC(=O)CCNCC1CC1 52eaa40e8b3df50cf94f23c6de2d80a9 [0,1,0,1,0,0|2,0,0]=4 9631 B12R1.310 CCOC(=O)CCOCC1CC1 ed8f7a42b3ca6d8edcf5098fa9e659bf [0,1,0,1,0,0|2,0,0]=4 9632 B12R1.310 CCOC(=O)CNCCC1CC1 1df18f0b9f18a254c9bb8ce694c97667 [0,1,0,1,0,0|2,0,0]=4 9633 B12R1.310 CCOC(=O)COCCC1CC1 c9b01d3508f16c18b499953bc74106e7 [0,1,0,1,0,0|1,0,0]=3 9634 B12R1.310 CCOC(=O)COCCN1CC1 b74cdd2ef8c0ca24dea0ea8b927d0f77 [0,1,0,1,0,0|2,0,0]=4 9635 B12R1.310 CCOC(=O)OCNCC1CC1 7a5cf76961e7131344f26a098bc0980d [0,1,0,1,0,0|1,0,0]=3 9636 B12R1.310 CCOC(=O)OCOCC1CC1 a097b92a353b9bf41b083438dd24597d [0,1,0,1,0,0|1,0,0]=3 9637 B12R1.310 CCSC(=O)OCNCC1CC1 23e81ead4463d8f0e76d28a529d515f4 [0,1,0,1,0,0|1,0,0]=3 9638 B12R1.310 CCSC(=O)OCOCC1CC1 560e9933bfb68f8f9bb0b33a5f0edce8 [0,1,0,1,0,0|1,0,0]=3 9639 B12R1.310 COCC(=O)CNCCC1CC1 6c409632f587966f7fe92bca5ccfae1c [0,1,0,1,0,0|2,0,0]=4 9640 B12R1.310 COCC(=O)COCCC1CC1 907f497e3915512c906c876d32ae387c [0,1,0,1,0,0|1,0,0]=3 9641 B12R1.310 COCC(=O)COCCN1CC1 f4479a8a2f6a33d5600954936f69d30f [0,1,0,1,0,0|2,0,0]=4 9642 B12R1.310 COCC(=O)NCCOC1CC1 9bdb5f875d8c95cf5d39ce377a97e8d1 [0,1,0,1,0,0|2,0,0]=4 9643 B12R1.310 CSCC(=O)NCCOC1CC1 f2cf50719134c6cc6c31e4577722f852 [0,1,0,1,0,0|2,0,0]=4 9644 B12R1.310 O=C(CCF)NCCOC1CC1 5ce60401884f9faeb32546ba96dab900 [0,1,0,1,0,0|2,0,0]=4 9645 B12R1.310 O=C(CCO)NCCOC1CC1 493b053d378ddae46fc8e0eeaa985c4a [0,1,0,1,0,0|2,0,0]=4 9646 B12R1.310 O=C(CCS)NCCOC1CC1 1b7c30a60b88793d2787efbafb3d53a7 [0,1,0,1,0,0|2,0,0]=4 9647 B12R1.311 CCCC(=O)CNC1CCC1F 5c4ba4ded240eb483d133d6e8128720a [0,1,0,1,0,0|2,0,0]=4 9648 B12R1.311 CCCC(=O)CNC1CCC1O 27ac1d72d01a0a63eb39b27274374740 [0,1,0,1,0,0|2,0,0]=4 9649 B12R1.311 CCCC(=O)CNC1COC1C 07d5edbe6759eb58cab5882fc20be769 [0,1,0,1,0,0|2,0,0]=4 9650 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@@H]1O 337186e1c699c5cc072be1d273326e72 [0,1,0,1,0,0|2,0,0]=4 9651 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@H]1C c2cdfe9e8750f1b09ad2a0ee2b6588ff [0,1,0,1,0,0|1,0,0]=3 9652 B12R1.311 CCCC(=O)CN[C@@H]1CC[C@H]1O bdd1bd72d6f697f760dceb85e6aec0a7 [0,1,0,1,0,0|2,0,0]=4 9653 B12R1.311 CCCC(=O)CN[C@H]1CC[C@@H]1O 617bd842ab34f84916c35859b8b9c9a1 [0,1,0,1,0,0|2,0,0]=4 9654 B12R1.311 CCCC(=O)CN[C@H]1CC[C@H]1C 7c4d1bc2825bf7f971b7446c3fc9d711 [0,1,0,1,0,0|1,0,0]=3 9655 B12R1.311 CCCC(=O)CN[C@H]1CC[C@H]1O 98702b192045765f20a4106f256ed227 [0,1,0,1,0,0|2,0,0]=4 9656 B12R1.311 CCCC(=O)COC1COC1C 05a7e6ed66c2fb2eeceadc1db6a45c78 [0,1,0,1,0,0|1,0,0]=3 9657 B12R1.311 CCCC(=O)NCC1CCN1C e409ec19eaf7af1b38ef61b39eb80521 [0,1,0,1,0,0|1,0,0]=3 9658 B12R1.311 CCCC(C)OCC1CCC1F 9e7c1cf2174d1fb80bee87c6e33d1c0e [0,1,0,1,0,0|1,0,1]=4 9659 B12R1.311 CCCC(C)OCC1CCN1C a37e3c9b3e9c2b7c24f02d4924a65288 [0,1,0,1,0,0|1,0,1]=4 9660 B12R1.311 CCCC(C)OC[C@@H]1CCN1C 93f44479c10432d8d68c241c1837a92f [0,1,0,1,0,0|1,0,1]=4 9661 B12R1.311 CCCC(C)OC[C@H]1CCN1C e78352b4356ce4678c0599affaa5c1a8 [0,1,0,1,0,0|1,0,1]=4 9662 B12R1.311 CCNC(=O)CN[C@@H]1CC[C@H]1C 2753d24cf05f6fbbc3c608260e2e3a1d [0,1,0,1,0,0|2,0,0]=4 9663 B12R1.311 CCNC(=O)CN[C@H]1CC[C@H]1C a6cfce920fa03d7f45498d9ab3678a55 [0,1,0,1,0,0|2,0,0]=4 9664 B12R1.311 CCNC(=O)COC1COC1C 4e8eb9bd6f365cfd88da00df78e50104 [0,1,0,1,0,0|2,0,0]=4 9665 B12R1.311 CCOC(=O)CN[C@@H]1CC[C@H]1C 24c11afa4244c11a5b06f883d341d58b [0,1,0,1,0,0|2,0,0]=4 9666 B12R1.311 CCOC(=O)CN[C@H]1CC[C@H]1C 4a9f95c444a81600726992076b03c5af [0,1,0,1,0,0|2,0,0]=4 9667 B12R1.311 CCOC(=O)COC1COC1C e0e939bf32f4b15fb5dbfcac7f17c1a2 [0,1,0,1,0,0|2,0,0]=4 9668 B12R1.311 CN1CCC1CNC(=O)CCF f2ea180db15bb27f48924fe4c89cf65c [0,1,0,1,0,0|2,0,0]=4 9669 B12R1.311 CN1CCC1CNC(=O)CCO 96d570d730c6a4790055bfd1f976b870 [0,1,0,1,0,0|2,0,0]=4 9670 B12R1.311 CN1CCC1CNC(=O)CCS 6199bb2487426b14bb65a1a4c361b2b9 [0,1,0,1,0,0|2,0,0]=4 9671 B12R1.311 COCC(=O)CN[C@@H]1CC[C@H]1C 1475afd28ebb0cdfd53ce7a87e615e40 [0,1,0,1,0,0|2,0,0]=4 9672 B12R1.311 COCC(=O)CN[C@H]1CC[C@H]1C b239e6a25dfe02c68d1cd48e2a1c9a08 [0,1,0,1,0,0|2,0,0]=4 9673 B12R1.311 COCC(=O)COC1COC1C faf7df0e4bdcc88f8b4e668643399d0d [0,1,0,1,0,0|2,0,0]=4 9674 B12R1.311 COCC(=O)NCC1CCN1C 5ab33ef11c20a83f8c3658679494bdb9 [0,1,0,1,0,0|2,0,0]=4 9675 B12R1.311 CSCC(=O)NCC1CCN1C ed80f365c19190292e65716abec87cb3 [0,1,0,1,0,0|2,0,0]=4 9676 B12R1.315 CCCC(=O)CNCC1CCC1 27281dff6f9946712929ef1a2d15c447 [0,1,0,1,0,0|1,0,0]=3 9677 B12R1.315 CCCC(=O)CNCC1CCO1 2c9aa811a844e459c0ae7420528d4837 [0,1,0,1,0,0|2,0,0]=4 9678 B12R1.315 CCCC(=O)CNCC1COC1 f8839bdff691874f8193beb0077aa6a0 [0,1,0,1,0,0|2,0,0]=4 9679 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 bd2e8f3d54e002ce80fa961b8b09f2d3 [0,1,0,1,0,0|2,0,0]=4 9680 B12R1.315 CCCC(=O)CNC[C@H]1CCO1 c8f4488c57631acb5f8776687ec16e14 [0,1,0,1,0,0|2,0,0]=4 9681 B12R1.315 CCCC(=O)COCC1CCC1 d60493aad543ba611ec030e93a681dc5 [0,1,0,1,0,0|0,0,0]=2 9682 B12R1.315 CCCC(=O)COCC1CCO1 664eb2a85c45aa7f61cf5d56e9e43135 [0,1,0,1,0,0|1,0,0]=3 9683 B12R1.315 CCCC(=O)COCC1COC1 1edf1d052541b4033842640ccfbea7e1 [0,1,0,1,0,0|1,0,0]=3 9684 B12R1.315 CCCC(=O)COCC1CSC1 08fe8e4f6505ff76d450d6a780bb59a6 [0,1,0,1,0,0|1,0,0]=3 9685 B12R1.315 CCCC(=O)COC[C@@H]1CCO1 42dd5cef036d9f056e1330bdd3d6f16f [0,1,0,1,0,0|1,0,0]=3 9686 B12R1.315 CCCC(=O)COC[C@H]1CCO1 eda1e02dc4a44dfc95d266ab643e0c85 [0,1,0,1,0,0|1,0,0]=3 9687 B12R1.315 CCCC(=O)NCCC1CCC1 549fc1b699f41761744f1a3c4fdf8ffc [0,1,0,1,0,0|1,0,0]=3 9688 B12R1.315 CCCC(=O)NCCC1CCO1 8189c68730c638b16c10ba9ef2bcb817 [0,1,0,1,0,0|1,0,0]=3 9689 B12R1.315 CCCC(=O)NCCC1COC1 b61e6382a2223efbe5d6db8257f6e1a1 [0,1,0,1,0,0|1,0,0]=3 9690 B12R1.315 CCCC(=O)NCCN1CCC1 a09804f8d584f0b958284f809b96b83d [0,1,0,1,0,0|1,0,0]=3 9691 B12R1.315 CCCC(=O)NCC[C@@H]1CCO1 3b823b36d7475cc335fe3267a11dd09f [0,1,0,1,0,0|1,0,0]=3 9692 B12R1.315 CCCC(=O)OCNC1CCC1 aedd0edf9c7670a18cdc341b4c3d779c [0,1,0,1,0,0|0,0,0]=2 9693 B12R1.315 CCCC(=O)OCNC1COC1 0e8fc202424c66123d8b7f4eea740ab8 [0,1,0,1,0,0|1,0,0]=3 9694 B12R1.315 CCCC(=O)OCOC1CCC1 868af7332a80d5c01a4aa342c0dc846a [0,1,0,1,0,0|0,0,0]=2 9695 B12R1.315 CCCC(=O)OCOC1COC1 37295a5e0cc34e2ab2692c5aa727badb [0,1,0,1,0,0|1,0,0]=3 9696 B12R1.315 CCCC(=O)OCOC1CSC1 3620f8675f4970ce29b5f4220459b075 [0,1,0,1,0,0|1,0,0]=3 9697 B12R1.315 CCCC(=S)OCCC1CCC1 20e8338f880556764713bf6a8e75c30f [0,1,0,1,0,0|0,1,0]=3 9698 B12R1.315 CCCC(=S)OCCC1CCO1 9417a236decd275228d42ffc3e3bea56 [0,1,0,1,0,0|0,1,0]=3 9699 B12R1.315 CCCC(=S)OCCC1COC1 2e6c6609fa0cbdda276ef6ff82fdca4d [0,1,0,1,0,0|0,1,0]=3 9700 B12R1.315 CCCC(C)COCC1CCC1 5a283e8eb8f76b37e9a80c5143246e8a [0,1,0,1,0,0|1,0,1]=4 9701 B12R1.315 CCCC(C)OCCC1CCC1 d4ab96e7e34440fb49282cd210264e66 [0,1,0,1,0,0|1,0,1]=4 9702 B12R1.315 CCCC(C)OCCC1CCO1 4de64bba23336651148c3e125d8300d6 [0,1,0,1,0,0|1,0,1]=4 9703 B12R1.315 CCCC(C)OCCC1COC1 0f623a161fe937cb8a03aeb84c3b65db [0,1,0,1,0,0|1,0,1]=4 9704 B12R1.315 CCCC(C)OCCN1CCC1 5346cd2eb3098ddf0efdc1e2113cf351 [0,1,0,1,0,0|1,0,1]=4 9705 B12R1.315 CCCC(C)OCC[C@@H]1CCO1 00bc9d907e32ff4cc002f18388232dac [0,1,0,1,0,0|1,0,1]=4 9706 B12R1.315 CCCC(C)OCC[C@H]1CCO1 d49a385d7d683086048947e2877c0bd6 [0,1,0,1,0,0|1,0,1]=4 9707 B12R1.315 CCC[C@@H](C)OCCC1CCC1 b4af0d82ec316fc929af8aa2a751d4f8 [0,1,0,1,0,0|1,0,1]=4 9708 B12R1.315 CCC[C@@H](C)OCCC1CCO1 cbabea64f4f2fc360ded6844de7a9ccb [0,1,0,1,0,0|1,0,1]=4 9709 B12R1.315 CCC[C@@H](C)OCCC1COC1 516514d16603a08cf3f36b33e4256e41 [0,1,0,1,0,0|1,0,1]=4 9710 B12R1.315 CCC[C@H](C)OCCC1CCC1 489b08bfae5bb114c343be76a4e42529 [0,1,0,1,0,0|1,0,1]=4 9711 B12R1.315 CCC[C@H](C)OCCC1CCO1 7827de1b941301925322a831a2443589 [0,1,0,1,0,0|1,0,1]=4 9712 B12R1.315 CCC[C@H](C)OCCC1COC1 b6c90e89426a37adb56b69dd2b149c7e [0,1,0,1,0,0|1,0,1]=4 9713 B12R1.315 CCNC(=O)CCNC1CCC1 494e08a9cfb3bdf56b0bf110cd0977b8 [0,1,0,1,0,0|2,0,0]=4 9714 B12R1.315 CCNC(=O)CCOC1CCC1 08308c26e2a83262ba2cea085d101d7c [0,1,0,1,0,0|2,0,0]=4 9715 B12R1.315 CCNC(=O)CNCC1CCC1 7099a8b7aed284fb5eb5494337b5b19e [0,1,0,1,0,0|2,0,0]=4 9716 B12R1.315 CCNC(=O)COCC1CCC1 1252973d6b8da129bfe5aa385c241e64 [0,1,0,1,0,0|1,0,0]=3 9717 B12R1.315 CCNC(=O)COCC1CCO1 d4376a689946eb55cc34cd326a808459 [0,1,0,1,0,0|2,0,0]=4 9718 B12R1.315 CCNC(=O)COCC1COC1 540e3a735caf736cd1d38413fe682cb8 [0,1,0,1,0,0|2,0,0]=4 9719 B12R1.315 CCNC(=O)COCC1CSC1 cc456f1c6e91a22cb0fa6119525f0116 [0,1,0,1,0,0|2,0,0]=4 9720 B12R1.315 CCNC(=O)COC[C@@H]1CCO1 a6f2b552ac7562273f99417148e73933 [0,1,0,1,0,0|2,0,0]=4 9721 B12R1.315 CCNC(=O)COC[C@H]1CCO1 677ee358a973ea76f574a54293784f0a [0,1,0,1,0,0|2,0,0]=4 9722 B12R1.315 CCOC(=O)CCCN1CCC1 414d552e9bf0071cfbcbe4002cc2e08a [0,1,0,1,0,0|2,0,0]=4 9723 B12R1.315 CCOC(=O)CCNC1CCC1 da993fc1b9551118bc7d488062f9249b [0,1,0,1,0,0|2,0,0]=4 9724 B12R1.315 CCOC(=O)CCOC1CCC1 d9327980f76916f039b388169945b823 [0,1,0,1,0,0|2,0,0]=4 9725 B12R1.315 CCOC(=O)CNCC1CCC1 47a0f771ce2225c6455abfe8f9eeafb5 [0,1,0,1,0,0|2,0,0]=4 9726 B12R1.315 CCOC(=O)COCC1CCC1 c8ce7c899ad84654b5fad4d5992ac45c [0,1,0,1,0,0|1,0,0]=3 9727 B12R1.315 CCOC(=O)COCC1CCO1 ad4105db7cc776ac92c156acfbad659e [0,1,0,1,0,0|2,0,0]=4 9728 B12R1.315 CCOC(=O)COCC1COC1 02e3b5fcad8dcf9726fb7f34b6c4edb3 [0,1,0,1,0,0|2,0,0]=4 9729 B12R1.315 CCOC(=O)COCC1CSC1 700389283f533bf8dfded1c5d54c7b0a [0,1,0,1,0,0|2,0,0]=4 9730 B12R1.315 CCOC(=O)COC[C@@H]1CCO1 00c2cc2183d7a7bfee01ecba4c986be9 [0,1,0,1,0,0|2,0,0]=4 9731 B12R1.315 CCOC(=O)COC[C@H]1CCO1 82e3320f68f90208af8678d523e0b69e [0,1,0,1,0,0|2,0,0]=4 9732 B12R1.315 CCOC(=O)OCNC1CCC1 e4db422c7defe383fe065e0634dda263 [0,1,0,1,0,0|1,0,0]=3 9733 B12R1.315 CCOC(=O)OCNC1COC1 0ee81f381f51ae4b5a23fd9a5b1bb854 [0,1,0,1,0,0|2,0,0]=4 9734 B12R1.315 CCOC(=O)OCOC1CCC1 99109b7a6320c08c1888ac48b72bcbe7 [0,1,0,1,0,0|1,0,0]=3 9735 B12R1.315 CCOC(=O)OCOC1COC1 01f97ddd8d8ae0acc0d8a2dadcbafa1c [0,1,0,1,0,0|2,0,0]=4 9736 B12R1.315 CCOC(=O)OCOC1CSC1 33a1242e846ac8b5ffcc47297b44816e [0,1,0,1,0,0|2,0,0]=4 9737 B12R1.315 CCSC(=O)OCNC1CCC1 56fcda8ae6089bdc04707d26555d2e8b [0,1,0,1,0,0|1,0,0]=3 9738 B12R1.315 CCSC(=O)OCNC1COC1 fea0705af4af3c620f2fa3b9083d38ae [0,1,0,1,0,0|2,0,0]=4 9739 B12R1.315 CCSC(=O)OCOC1CCC1 8970f28dbd65669aa9382a92ba0d5f9f [0,1,0,1,0,0|1,0,0]=3 9740 B12R1.315 CCSC(=O)OCOC1COC1 7a9feb7573a63e6a1a0e7edd094ff4e8 [0,1,0,1,0,0|2,0,0]=4 9741 B12R1.315 CCSC(=O)OCOC1CSC1 29223575ce467425c8240cb7c289443d [0,1,0,1,0,0|2,0,0]=4 9742 B12R1.315 COCC(=O)CNCC1CCC1 ff52397dfec4a6d6e807df184779f88a [0,1,0,1,0,0|2,0,0]=4 9743 B12R1.315 COCC(=O)COCC1CCC1 30de02f52fd6f86546cf3a6673c3f110 [0,1,0,1,0,0|1,0,0]=3 9744 B12R1.315 COCC(=O)COCC1CCO1 ff10fd2e8098268638c5118b8fa4fe75 [0,1,0,1,0,0|2,0,0]=4 9745 B12R1.315 COCC(=O)COCC1COC1 50acb8e21c36b92df5f411f85220cd27 [0,1,0,1,0,0|2,0,0]=4 9746 B12R1.315 COCC(=O)COCC1CSC1 068c1dc294c95fe82a963df006990315 [0,1,0,1,0,0|2,0,0]=4 9747 B12R1.315 COCC(=O)COC[C@@H]1CCO1 feac65011f72519feb00da1d6261f043 [0,1,0,1,0,0|2,0,0]=4 9748 B12R1.315 COCC(=O)COC[C@H]1CCO1 a56668c6a742b1aa56f89683d1303b12 [0,1,0,1,0,0|2,0,0]=4 9749 B12R1.315 COCC(=O)NCCC1CCC1 b8bc237ec306c19c55aa6164add3d0e7 [0,1,0,1,0,0|2,0,0]=4 9750 B12R1.315 COCC(=O)NCCC1CCO1 1daff80a04387d3fe757a693c2b84337 [0,1,0,1,0,0|2,0,0]=4 9751 B12R1.315 COCC(=O)NCCC1COC1 adc4827570e8e58088804a16ad3dee4a [0,1,0,1,0,0|2,0,0]=4 9752 B12R1.315 COCC(=O)NCCN1CCC1 bb40d51c42a999828198e5eb7570686a [0,1,0,1,0,0|2,0,0]=4 9753 B12R1.315 COCC(=O)NCC[C@@H]1CCO1 2f0af415d66cc4f5fb5977daedc375ed [0,1,0,1,0,0|2,0,0]=4 9754 B12R1.315 CSCC(=O)NCCC1CCC1 9e367dbdb259541050c75d6e2f8b9425 [0,1,0,1,0,0|2,0,0]=4 9755 B12R1.315 CSCC(=O)NCCC1CCO1 dec4c0a5b087f9855cac80070d31c0ee [0,1,0,1,0,0|2,0,0]=4 9756 B12R1.315 CSCC(=O)NCCC1COC1 796ade0619e5ddeca1e1e7c1f40cf7c4 [0,1,0,1,0,0|2,0,0]=4 9757 B12R1.315 CSCC(=O)NCCN1CCC1 e891c0b0669ca78e90179a9b9ff2681b [0,1,0,1,0,0|2,0,0]=4 9758 B12R1.315 CSCC(=O)NCC[C@@H]1CCO1 f1a4face902ceacb6ea9b0e8beef197b [0,1,0,1,0,0|2,0,0]=4 9759 B12R1.315 O=C(CCF)NCCC1CCC1 0a6f201b5c5ddda8e2ceb9326552b7dd [0,1,0,1,0,0|2,0,0]=4 9760 B12R1.315 O=C(CCF)NCCC1CCO1 559eb76e8002c4ecd0d9ffc72e34ea82 [0,1,0,1,0,0|2,0,0]=4 9761 B12R1.315 O=C(CCF)NCCC1COC1 3b82600ccfc6344b64d56595c1f7c5f6 [0,1,0,1,0,0|2,0,0]=4 9762 B12R1.315 O=C(CCF)NCCN1CCC1 204734bee9c3d78e5b70d3d61be4143f [0,1,0,1,0,0|2,0,0]=4 9763 B12R1.315 O=C(CCF)NCC[C@@H]1CCO1 c3566bc492780c5c6cab71c72631f553 [0,1,0,1,0,0|2,0,0]=4 9764 B12R1.315 O=C(CCO)NCCC1CCC1 b6410d39f6d188b65b9e4a306ad2de50 [0,1,0,1,0,0|2,0,0]=4 9765 B12R1.315 O=C(CCO)NCCC1CCO1 e68994d8830aac9c9f558fc8b6cfee19 [0,1,0,1,0,0|2,0,0]=4 9766 B12R1.315 O=C(CCO)NCCC1COC1 7b381786b03f864697103b1a84b6a4f8 [0,1,0,1,0,0|2,0,0]=4 9767 B12R1.315 O=C(CCO)NCCN1CCC1 4e5a3abdaad09a4b9d2d8b3203ebcf67 [0,1,0,1,0,0|2,0,0]=4 9768 B12R1.315 O=C(CCO)NCC[C@@H]1CCO1 44b44a79d8c5ac797c349d081a1c5d63 [0,1,0,1,0,0|2,0,0]=4 9769 B12R1.315 O=C(CCS)NCCC1CCC1 c22876a92837bef78ca3ac8781a9295b [0,1,0,1,0,0|2,0,0]=4 9770 B12R1.315 O=C(CCS)NCCC1CCO1 aa15755e17a745c9586cce9d594e90fb [0,1,0,1,0,0|2,0,0]=4 9771 B12R1.315 O=C(CCS)NCCC1COC1 53e728d5e20a5ea4fc5f406c5e8312b9 [0,1,0,1,0,0|2,0,0]=4 9772 B12R1.315 O=C(CCS)NCCN1CCC1 8e5781ef877d14d39a14a427c2ff63fb [0,1,0,1,0,0|2,0,0]=4 9773 B12R1.315 O=C(CCS)NCC[C@@H]1CCO1 b73793bbda06cc34dcd4698f17e05be2 [0,1,0,1,0,0|2,0,0]=4 9774 B12R1.316 C#CC1CCCN1C(=O)CCC 7eddb7d176696f7bddde5dfeb172ec66 [0,1,0,1,0,0|1,0,1]=4 9775 B12R1.316 CCC1CCCN1C(=O)CCF a37a56af9509a0c72f38c0930884c49b [0,1,0,1,0,0|2,0,0]=4 9776 B12R1.316 CCC1CCCN1C(=O)CCO 4a4e8e3df831805c3f1f124348461413 [0,1,0,1,0,0|2,0,0]=4 9777 B12R1.316 CCC1CCCN1C(=O)CCS 353274e9c54b4c64307b6f4ad5643a10 [0,1,0,1,0,0|2,0,0]=4 9778 B12R1.316 CCC1CCCN1C(=O)COC a7d8343ffcb899477dcfbb07f5693d23 [0,1,0,1,0,0|2,0,0]=4 9779 B12R1.316 CCC1CCCN1C(=O)CSC abf266c73be138887e00980430e43250 [0,1,0,1,0,0|2,0,0]=4 9780 B12R1.316 CCCC(=O)N1CCCC1C#N 47d992e1dae5de1642446fbdc812f980 [0,1,0,1,0,0|1,0,1]=4 9781 B12R1.316 CCCC(=O)N1CCCC1CC 6812d3ea08b8867ea9d904f4cd446b52 [0,1,0,1,0,0|1,0,0]=3 9782 B12R1.316 CCCC(=O)N1CCCC1CO 3fcc747caa6417aa7eeaebee13c8f712 [0,1,0,1,0,0|1,0,0]=3 9783 B12R1.316 CCCC(=O)N1CCCC1OC ae55c3cbfa45e64d63f129fbbe4cb7c3 [0,1,0,1,0,0|1,0,0]=3 9784 B12R1.316 CCCC(=O)N1CCC[C@@H]1CF e8c58aef14b2aec10551cb2ea05cbe4c [0,1,0,1,0,0|1,0,0]=3 9785 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO b69d672274adf082e24f3308f54c5d29 [0,1,0,1,0,0|1,0,0]=3 9786 B12R1.316 CCCC(=O)N1CCC[C@H]1C#N 7b725461e4178411124659a4c762a661 [0,1,0,1,0,0|1,0,1]=4 9787 B12R1.316 CCCC(=O)N1CCC[C@H]1CC 5cba11f5e16a67053aa92c62aea88515 [0,1,0,1,0,0|1,0,0]=3 9788 B12R1.316 CCCC(=O)N1CCC[C@H]1CF 2e808189f900e61e9817328402eb81cc [0,1,0,1,0,0|1,0,0]=3 9789 B12R1.316 CCCC(=O)N1CCC[C@H]1CO 16c01d1fa4afed1bde235b08b5a9d450 [0,1,0,1,0,0|1,0,0]=3 9790 B12R1.316 CCNC(=O)C1CCCN1CC 4538ea7dddfa40d362ceb610a1a125f3 [0,1,0,1,0,0|2,0,0]=4 9791 B12R1.316 CCOC(=O)C1CCCN1CC ab3d4c22be59aef3c41ab2c4ada35ca4 [0,1,0,1,0,0|2,0,0]=4 9792 B12R1.316 CCOC(=O)[C@H]1CCCN1CC 11cdf3ede30f36a44620bef062b937f8 [0,1,0,1,0,0|2,0,0]=4 9793 B12R1.316 CC[C@@H]1CCCN1C(=O)CCF be3fd9ddd08b18401e7cded653dc43d9 [0,1,0,1,0,0|2,0,0]=4 9794 B12R1.316 CC[C@@H]1CCCN1C(=O)CCO d1586718896a0312d469706ff182e110 [0,1,0,1,0,0|2,0,0]=4 9795 B12R1.316 CC[C@@H]1CCCN1C(=O)CCS 6dce0348c46a6ba543429c961aac6e29 [0,1,0,1,0,0|2,0,0]=4 9796 B12R1.316 CC[C@@H]1CCCN1C(=O)COC e34a7b6a8eba7e9149908f0fc61ea61d [0,1,0,1,0,0|2,0,0]=4 9797 B12R1.316 CC[C@@H]1CCCN1C(=O)CSC 7ebcfdd82049b663272837fe0dedc6b6 [0,1,0,1,0,0|2,0,0]=4 9798 B12R1.316 COC1CCCN1C(=O)CCF 38520bace129ed36378fbe1da757e2b6 [0,1,0,1,0,0|2,0,0]=4 9799 B12R1.316 COC1CCCN1C(=O)CCO e5d46978e1a21fa5b6721b71a05085cc [0,1,0,1,0,0|2,0,0]=4 9800 B12R1.316 COC1CCCN1C(=O)CCS c0c32d0af9e08273bda15103d1a540b7 [0,1,0,1,0,0|2,0,0]=4 9801 B12R1.316 COC1CCCN1C(=O)CSC 615ea492a413f54131e823247573abb8 [0,1,0,1,0,0|2,0,0]=4 9802 B12R1.316 COCC(=O)N1CCCC1CO a77ce6ce9d2466b9237d8deb1c3acdf0 [0,1,0,1,0,0|2,0,0]=4 9803 B12R1.316 COCC(=O)N1CCCC1OC 6b5426d1db5f3a59e821ff7f5163d24f [0,1,0,1,0,0|2,0,0]=4 9804 B12R1.316 COCC(=O)N1CCC[C@@H]1CF 464638dcc6a58d446eb4dd76fd6da6a8 [0,1,0,1,0,0|2,0,0]=4 9805 B12R1.316 COCC(=O)N1CCC[C@@H]1CO c64e4a46ea7780cfd86d3c5dfc1f63fd [0,1,0,1,0,0|2,0,0]=4 9806 B12R1.316 COCC(=O)N1CCC[C@H]1CF ce733677655c2ebe1a72717fdc08c016 [0,1,0,1,0,0|2,0,0]=4 9807 B12R1.316 COCC(=O)N1CCC[C@H]1CO 98f74d2f09ff895224d3a6d65f40b447 [0,1,0,1,0,0|2,0,0]=4 9808 B12R1.316 CSCC(=O)N1CCCC1CO 3a1433bab3f498f074ad4f3d64efd876 [0,1,0,1,0,0|2,0,0]=4 9809 B12R1.316 CSCC(=O)N1CCC[C@@H]1CF da33ea58f39a4ed0e26c51adcaf73648 [0,1,0,1,0,0|2,0,0]=4 9810 B12R1.316 CSCC(=O)N1CCC[C@@H]1CO 3d0732936d638cd12b299d99f4eb512a [0,1,0,1,0,0|2,0,0]=4 9811 B12R1.316 CSCC(=O)N1CCC[C@H]1CF 71bf59f6053e6d5c5dcd920c6e67aaee [0,1,0,1,0,0|2,0,0]=4 9812 B12R1.316 CSCC(=O)N1CCC[C@H]1CO 1cd491bb0674ec83b116045d0083216f [0,1,0,1,0,0|2,0,0]=4 9813 B12R1.316 O=C(CCF)N1CCCC1CO ab8d8a0dc34790524c25977e31b5b805 [0,1,0,1,0,0|2,0,0]=4 9814 B12R1.316 O=C(CCF)N1CCC[C@@H]1CF 84bfc952d6afa29feb76e3a93ea04368 [0,1,0,1,0,0|2,0,0]=4 9815 B12R1.316 O=C(CCF)N1CCC[C@@H]1CO e7715d90552d86bb5728cd5b77c4613d [0,1,0,1,0,0|2,0,0]=4 9816 B12R1.316 O=C(CCF)N1CCC[C@H]1CF 565d96a118c3b06ce9e55e9956397607 [0,1,0,1,0,0|2,0,0]=4 9817 B12R1.316 O=C(CCF)N1CCC[C@H]1CO c52f96d33c41fbdd504bb6f7e9512359 [0,1,0,1,0,0|2,0,0]=4 9818 B12R1.316 O=C(CCO)N1CCCC1CO 3801958d5634c60373ace50cc6bad9ed [0,1,0,1,0,0|2,0,0]=4 9819 B12R1.316 O=C(CCO)N1CCC[C@@H]1CF 26120f81d9b9c12cc5cba9945a29a2ed [0,1,0,1,0,0|2,0,0]=4 9820 B12R1.316 O=C(CCO)N1CCC[C@@H]1CO 7c3c62f9e09b901b6e490597ab33fa0c [0,1,0,1,0,0|2,0,0]=4 9821 B12R1.316 O=C(CCO)N1CCC[C@H]1CF d946824c5e66ea367b41de31cb360d81 [0,1,0,1,0,0|2,0,0]=4 9822 B12R1.316 O=C(CCO)N1CCC[C@H]1CO 8c16f19de18ff1c2ae3a02a72d9fd7d3 [0,1,0,1,0,0|2,0,0]=4 9823 B12R1.316 O=C(CCS)N1CCCC1CO b5a0c2039ed46e3fdaf8a265c8bc1216 [0,1,0,1,0,0|2,0,0]=4 9824 B12R1.316 O=C(CCS)N1CCC[C@@H]1CF da715524ef3ed46719d3f420483e202e [0,1,0,1,0,0|2,0,0]=4 9825 B12R1.316 O=C(CCS)N1CCC[C@@H]1CO a1fd6ff7014905e12e23f9896adaf3b2 [0,1,0,1,0,0|2,0,0]=4 9826 B12R1.316 O=C(CCS)N1CCC[C@H]1CF 347ca1dad7161ea281a7c8d8ffd26eca [0,1,0,1,0,0|2,0,0]=4 9827 B12R1.316 O=C(CCS)N1CCC[C@H]1CO 989922e21b5b1ccc105b18b212aca9ab [0,1,0,1,0,0|2,0,0]=4 9828 B12R1.318 CCCC(=O)CN1CCCC1C cd57ad0f5e35fd60cbe81a61b2c24d23 [0,1,0,1,0,0|1,0,0]=3 9829 B12R1.318 CCCC(=O)CN1CCCC1O 4d2fbcc8b55b248077d41befee9a29c6 [0,1,0,1,0,0|2,0,0]=4 9830 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 27da4b99ce77b8e78d684a9872cf4430 [0,1,0,1,0,0|1,0,0]=3 9831 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 3107c66f4cb5e6629d645690ec18c70a [0,1,0,1,0,0|1,0,0]=3 9832 B12R1.318 CCCC(=O)CN1CCSC1C 866fc51a1d8f8045ae9345441c7b075a [0,1,0,1,0,0|2,0,0]=4 9833 B12R1.318 CCCC(=O)NC1CCCC1O 72c69d9d040f271a63dfac1edbcd9970 [0,1,0,1,0,0|1,0,0]=3 9834 B12R1.318 CCCC(=O)NC1COCC1O 0b711222635c3cbede10f19ed6686eed [0,1,0,1,0,0|2,0,0]=4 9835 B12R1.318 CCCC(=O)N[C@@H]1CCC[C@@H]1O 6e2ce1d68c7bc3015bc45fbded7a27af [0,1,0,1,0,0|1,0,0]=3 9836 B12R1.318 CCCC(=O)N[C@@H]1CCC[C@H]1O 13c9a11d35600ee3343a68c85205425d [0,1,0,1,0,0|1,0,0]=3 9837 B12R1.318 CCCC(=O)N[C@@H]1COC[C@@H]1O 05dfea3b5328d052ad5cbdeb1743e4ee [0,1,0,1,0,0|2,0,0]=4 9838 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O 7df0722dc10237defbecb6abf957c6e6 [0,1,0,1,0,0|2,0,0]=4 9839 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O efb211e7b4aee795dea32611b6de65c9 [0,1,0,1,0,0|1,0,0]=3 9840 B12R1.318 CCCC(=O)N[C@H]1CCC[C@H]1O 56c031edf732c1ebeec601697170f2e2 [0,1,0,1,0,0|1,0,0]=3 9841 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 604f2d3f4a537f1a8b907aee6e70c7c3 [0,1,0,1,0,0|2,0,0]=4 9842 B12R1.318 CCCC(=O)N[C@H]1COC[C@H]1F 9ffe389e6f51069bca100dfcea557e94 [0,1,0,1,0,0|2,0,0]=4 9843 B12R1.318 CCCC(=O)N[C@H]1COC[C@H]1O 330d3fa14a2b1ec9988d9660ab601dc9 [0,1,0,1,0,0|2,0,0]=4 9844 B12R1.318 CCCC(=S)OC1CCCC1=O d7b9a74837a4e342282f2263c8cb3625 [0,1,0,1,0,0|0,1,1]=4 9845 B12R1.318 CCCC(C)NC1CCCC1=O 8577d7b58e30707e28b298cce8836096 [0,1,0,1,0,0|2,0,0]=4 9846 B12R1.318 CCCC(C)OC1CCCC1C 6d9852b5b86d4a5591e255a2bf1df216 [0,1,0,1,0,0|1,0,1]=4 9847 B12R1.318 CCCC(C)OC1COCC1C 289a7bbbbf17bcb13e07efe2f68951b6 [0,1,0,1,0,0|1,0,1]=4 9848 B12R1.318 CCCC(C)O[C@@H]1CCC[C@@H]1C 77a33a96ce121107da432fb7c31ffe0f [0,1,0,1,0,0|1,0,1]=4 9849 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1C 4d4b7d9611da5e44fda4c1ecc7ec5060 [0,1,0,1,0,0|1,0,1]=4 9850 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1F a86f925be0db86a9ec6e3648c2d1eefc [0,1,0,1,0,0|1,0,1]=4 9851 B12R1.318 CCCC(C)O[C@@H]1COC[C@@H]1C f0ad79e50e5a91d8f2636b7abb9f9168 [0,1,0,1,0,0|1,0,1]=4 9852 B12R1.318 CCCC(C)O[C@H]1CCC[C@@H]1C 98361b0670bbfb46a1ce75a1f235603c [0,1,0,1,0,0|1,0,1]=4 9853 B12R1.318 CCCC(C)O[C@H]1CCC[C@H]1C fe8b5059f493b7b099c6c2ecfcc3080b [0,1,0,1,0,0|1,0,1]=4 9854 B12R1.318 CCCC(C)O[C@H]1COC[C@@H]1C 47fb3b6d0f9206f8f6c6bec8286c3c8c [0,1,0,1,0,0|1,0,1]=4 9855 B12R1.318 CCCC(C)O[C@H]1COC[C@H]1C 6c0d8ad58f61b768b0e458be17afd4af [0,1,0,1,0,0|1,0,1]=4 9856 B12R1.318 CCCN(C)CN1CCCC1=O 50b5679ffc9ac41f8e32a1e8c5990e5b [0,1,0,1,0,0|2,0,0]=4 9857 B12R1.318 CCC[C@H](C)NC1CCCC1=O 10835da88e18fb4cdf4319cede141ec8 [0,1,0,1,0,0|2,0,0]=4 9858 B12R1.318 CCNC(=O)CN1CCCC1C 90b76464e693a7a5d77a0215d664fc3e [0,1,0,1,0,0|2,0,0]=4 9859 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C e089c1396832f29c09b6e80d2a019c16 [0,1,0,1,0,0|2,0,0]=4 9860 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 86950f0af64e1ef35ada38b5ed8b6f8b [0,1,0,1,0,0|2,0,0]=4 9861 B12R1.318 CCOC(=O)CN1CCCC1C 31f7baa79acf9c9334cb290bb2954ba4 [0,1,0,1,0,0|2,0,0]=4 9862 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C b83f42a34df412b6c9750331fd30ceee [0,1,0,1,0,0|2,0,0]=4 9863 B12R1.318 CCOC(=O)CN1CCC[C@H]1C a1a4d04b2fa1adab08a6865adfe4ca2f [0,1,0,1,0,0|2,0,0]=4 9864 B12R1.318 COCC(=O)NC1CCCC1O 9cf2017f6c1db3b8f3543f1923ee9392 [0,1,0,1,0,0|2,0,0]=4 9865 B12R1.318 COCC(=O)N[C@@H]1CCC[C@@H]1O 211ea4f4624702d95f926999f97fe8e6 [0,1,0,1,0,0|2,0,0]=4 9866 B12R1.318 COCC(=O)N[C@@H]1CCC[C@H]1O c430bff4c760284dd2a3d25e534817bc [0,1,0,1,0,0|2,0,0]=4 9867 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 0ac15d0eb06ac5ea5de2928c84bb3882 [0,1,0,1,0,0|2,0,0]=4 9868 B12R1.318 COCC(=O)N[C@H]1CCC[C@H]1O 07925c498da405479f4725daac3647b3 [0,1,0,1,0,0|2,0,0]=4 9869 B12R1.318 O=C(CCF)NC1CCCC1O 51fcc4e399a6580a83089443f2f5976b [0,1,0,1,0,0|2,0,0]=4 9870 B12R1.318 O=C(CCF)N[C@@H]1CCC[C@@H]1O c4cddc1eea52bcc7bae15712855c64ca [0,1,0,1,0,0|2,0,0]=4 9871 B12R1.318 O=C(CCF)N[C@@H]1CCC[C@H]1O 5efc4585ff19aa2bace2633599cfaae1 [0,1,0,1,0,0|2,0,0]=4 9872 B12R1.318 O=C(CCF)N[C@H]1CCC[C@@H]1O 59588d29f50b1f0b1860edfa4737dfd2 [0,1,0,1,0,0|2,0,0]=4 9873 B12R1.318 O=C(CCF)N[C@H]1CCC[C@H]1O 3ff5bd2b83b8a638b780d89dc45f919c [0,1,0,1,0,0|2,0,0]=4 9874 B12R1.318 O=C(CCS)NC1CCCC1O b1badab3720d00f5be909cd13bbdf183 [0,1,0,1,0,0|2,0,0]=4 9875 B12R1.318 O=C(CCS)N[C@@H]1CCC[C@@H]1O a12340a5e729a38e7e9be1a5d2e121c1 [0,1,0,1,0,0|2,0,0]=4 9876 B12R1.318 O=C(CCS)N[C@@H]1CCC[C@H]1O 5184b152e0444d2110d65a2bc8c4953b [0,1,0,1,0,0|2,0,0]=4 9877 B12R1.318 O=C(CCS)N[C@H]1CCC[C@@H]1O 7b192b618450f87ed934895e9c0b6e53 [0,1,0,1,0,0|2,0,0]=4 9878 B12R1.318 O=C(CCS)N[C@H]1CCC[C@H]1O ad3279fe923a0c8aebf228460ea7aa78 [0,1,0,1,0,0|2,0,0]=4 9879 B12R1.319 CCC1CCN1CC(=O)COC 1c4325138634f5af5df6db0cc1d61879 [0,1,0,1,0,0|2,0,0]=4 9880 B12R1.319 CCCC(=O)CN1CCC1CC d89e6c1ead0f68f00a3807dbe2a66491 [0,1,0,1,0,0|1,0,0]=3 9881 B12R1.319 CCCC(=O)CN1CCC1CO c04cb6976f84f137fcd5dbbcb9315330 [0,1,0,1,0,0|2,0,0]=4 9882 B12R1.319 CCCC(=O)CN1CC[C@@H]1CO c519662c523766c44799f741815317a3 [0,1,0,1,0,0|2,0,0]=4 9883 B12R1.319 CCCC(=O)CN1CC[C@H]1CO e1431056874f7f26ff54130db4aaddd1 [0,1,0,1,0,0|2,0,0]=4 9884 B12R1.319 CCCC(=O)NC1CCC1OC 597b043e870f98edc289411ed79ca361 [0,1,0,1,0,0|1,0,0]=3 9885 B12R1.319 CCCC(=O)N[C@@H]1CC[C@@H]1OC c4a5fe8b56282e7f80a3339f63133cbd [0,1,0,1,0,0|1,0,0]=3 9886 B12R1.319 CCCC(=O)N[C@@H]1CC[C@H]1OC b6b3b338c38b6bab7ea10e20ffbefddb [0,1,0,1,0,0|1,0,0]=3 9887 B12R1.319 CCCC(=O)N[C@H]1CC[C@@H]1OC 0bae70a722267a348ed47b1417d508e9 [0,1,0,1,0,0|1,0,0]=3 9888 B12R1.319 CCCC(=O)N[C@H]1CC[C@H]1OC b73a95a8e6d7249f5e770f7972e785de [0,1,0,1,0,0|1,0,0]=3 9889 B12R1.319 CCNC(=O)CN1CCC1CC dddf15d1f4d9f20e8531e72c1de9383f [0,1,0,1,0,0|2,0,0]=4 9890 B12R1.319 CCOC(=O)CN1CCC1CC 0114c597e73d29d982209132513bea97 [0,1,0,1,0,0|2,0,0]=4 9891 B12R1.319 COC1CCC1NC(=O)CCF 4ff1bbf94d8ea6838faf2c3c292fed64 [0,1,0,1,0,0|2,0,0]=4 9892 B12R1.319 COC1CCC1NC(=O)CCO becf785225527c0f25b448d48d6c8ee8 [0,1,0,1,0,0|2,0,0]=4 9893 B12R1.319 COC1CCC1NC(=O)CCS cc2435377e477ec5bdbac13cb0c03120 [0,1,0,1,0,0|2,0,0]=4 9894 B12R1.319 COC1CCC1NC(=O)CSC bd67f41417bb001b5e75b12bdf29b2b9 [0,1,0,1,0,0|2,0,0]=4 9895 B12R1.319 COCC(=O)NC1CCC1OC d9ab80eb68fb8dd89d789ec64bf41b1d [0,1,0,1,0,0|2,0,0]=4 9896 B12R1.319 COCC(=O)N[C@@H]1CC[C@@H]1OC b45e696733bacb345b5008854ecf7cf9 [0,1,0,1,0,0|2,0,0]=4 9897 B12R1.319 COCC(=O)N[C@@H]1CC[C@H]1OC 93e4a90b34a3dee78d8e59ea46b5dde2 [0,1,0,1,0,0|2,0,0]=4 9898 B12R1.319 COCC(=O)N[C@H]1CC[C@@H]1OC f91c3710c9cae83da18c19865739bf72 [0,1,0,1,0,0|2,0,0]=4 9899 B12R1.319 COCC(=O)N[C@H]1CC[C@H]1OC cb39e2a8014b4688584d44c97479d7c2 [0,1,0,1,0,0|2,0,0]=4 9900 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CCF d93c8438c07e9602c26a5f6df10d7a3e [0,1,0,1,0,0|2,0,0]=4 9901 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CCO 68de930f4bd035af2b6af2b9c3cd54ca [0,1,0,1,0,0|2,0,0]=4 9902 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CCS 5c2fcd9f95792aab3e5bebe23287932b [0,1,0,1,0,0|2,0,0]=4 9903 B12R1.319 CO[C@@H]1CC[C@@H]1NC(=O)CSC 8e334d78eccea741e27e46622354e865 [0,1,0,1,0,0|2,0,0]=4 9904 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CCF 4c64bce3bc8ee8a0a85dd2a464c85806 [0,1,0,1,0,0|2,0,0]=4 9905 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CCO 0a617d869447dc4ea0ca92344261b01f [0,1,0,1,0,0|2,0,0]=4 9906 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CCS 96146ae29cec60ca4bd9086c38bcea14 [0,1,0,1,0,0|2,0,0]=4 9907 B12R1.319 CO[C@@H]1CC[C@H]1NC(=O)CSC 632fc723bf1939a8d9fa600801a21674 [0,1,0,1,0,0|2,0,0]=4 9908 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CCF 3136f33464fa79c15b3d287fbb522960 [0,1,0,1,0,0|2,0,0]=4 9909 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CCO 3e78f1ab02b1535afef2962ab5ff3d02 [0,1,0,1,0,0|2,0,0]=4 9910 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CCS 6ba171e09acee9b88c0a41302a714ac7 [0,1,0,1,0,0|2,0,0]=4 9911 B12R1.319 CO[C@H]1CC[C@@H]1NC(=O)CSC 1fe9fd0543973f734e59b483d1f3edec [0,1,0,1,0,0|2,0,0]=4 9912 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CCF fb54fcb3a4d62122dc83e631ae4af5ae [0,1,0,1,0,0|2,0,0]=4 9913 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CCO e3245424b0cc9371717ac3b998f3badf [0,1,0,1,0,0|2,0,0]=4 9914 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CCS 910afc06158197fb7d949b772a050537 [0,1,0,1,0,0|2,0,0]=4 9915 B12R1.319 CO[C@H]1CC[C@H]1NC(=O)CSC d063af19fbf94d0bfcb2087b3ade15e9 [0,1,0,1,0,0|2,0,0]=4 9916 B12R1.323 CCCN[C@@H]1C[C@@H]1C(=O)OCC fe040363585cc81fd2823b1fdfbbe67d [0,1,0,1,0,0|2,0,0]=4 9917 B12R1.323 CCCN[C@H]1C[C@H]1C(=O)OCC 0f7eadeab4221258207ecb40150121cb [0,1,0,1,0,0|2,0,0]=4 9918 B12R1.323 CCCO[C@@H]1C[C@@H]1C(=O)OCC 75aac217bd9dee89998b32986cba2ede [0,1,0,1,0,0|2,0,0]=4 9919 B12R1.323 CCCO[C@H]1C[C@H]1C(=O)OCC 650ce867e1dbd793bb25c017969d15b8 [0,1,0,1,0,0|2,0,0]=4 9920 B12R1.323 CCOCC1CC1C(=O)OCC 319462a697cdea7a1cd97595a4a83af5 [0,1,0,1,0,0|2,0,0]=4 9921 B12R1.323 CCOC[C@@H]1C[C@@H]1C(=O)OCC 4319ae56226d61adb72979533dad66d1 [0,1,0,1,0,0|2,0,0]=4 9922 B12R1.323 CCOC[C@@H]1C[C@H]1C(=O)OCC 0785d741bc6695194d783c097123b3d2 [0,1,0,1,0,0|2,0,0]=4 9923 B12R1.323 CCOC[C@H]1C[C@@H]1C(=O)OCC c122c5eaf8c44afa615cd4de1df48944 [0,1,0,1,0,0|2,0,0]=4 9924 B12R1.348 CCCCN1CCCC(=O)CC1 362f8610db3ef8625f816140d48d2ee2 [0,1,0,1,0,0|1,0,0]=3 9925 B12R1.348 CCCCN1CCNC(=O)CC1 0c3e704787f8e6831b0649b775a47140 [0,1,0,1,0,0|2,0,0]=4 9926 B12R1.348 CCCOC1CCCC(=O)NC1 a17f0ae950cf40edc28159112625c840 [0,1,0,1,0,0|1,0,0]=3 9927 B12R1.348 CCOCC1CCNC(=O)CC1 7528055642b890c7453fcdd36162ad1a [0,1,0,1,0,0|2,0,0]=4 9928 B12R1.348 CCOCC1CCNC(=O)CO1 2fffb6223c68ccef976b01ed172cadbf [0,1,0,1,0,0|2,0,0]=4 9929 B12R1.348 COCCN1CCCC(=O)CC1 6a6ba18de3505fa776b1c85f3175f5dc [0,1,0,1,0,0|2,0,0]=4 9930 B12R1.348 COCOC1CCCC(=O)NC1 108961a3f1f7097712b9e55c1dbc2668 [0,1,0,1,0,0|2,0,0]=4 9931 B12R1.348 CSCCN1CCCC(=O)CC1 0bbbe8722bf234b8a7dd351463fc7e0a [0,1,0,1,0,0|2,0,0]=4 9932 B12R1.348 CSCOC1CCCC(=O)NC1 3c5580462aab68fb4846c3848fdc3bcf [0,1,0,1,0,0|2,0,0]=4 9933 B12R1.348 O=C1CCCC(CN1)OCCF 4ca01b8c35b198a6c07e0f7f5115aac5 [0,1,0,1,0,0|2,0,0]=4 9934 B12R1.348 O=C1CCCC(CN1)OCCS 518f48565ed89f50449204c3da767a32 [0,1,0,1,0,0|2,0,0]=4 9935 B12R1.348 O=C1CCCN(CC1)CCCF 95de03d7e0fb13de59b9c2387dec8c10 [0,1,0,1,0,0|2,0,0]=4 9936 B12R1.348 O=C1CCCN(CC1)CCCO 5f7d736eade38f0b7887d23934c26571 [0,1,0,1,0,0|2,0,0]=4 9937 B12R1.348 O=C1CCCN(CC1)CCCS b5c62adc1c1d08878400c26202fb0ada [0,1,0,1,0,0|2,0,0]=4 9938 B12R1.372 C#CCCCOC1CCCC1=O ec6adb1f7390bcbd1617074e09872fad [0,1,0,1,0,0|0,0,2]=4 9939 B12R1.372 C/C=C/CCOC1CCCC1=O d93cc93fb06c121ac6cac1e41eedecd1 [0,1,0,1,0,0|0,0,2]=4 9940 B12R1.372 C=CCCCOC1CCCC1=O 1ccd9ab51c4057a34e1c1640045b0ef3 [0,1,0,1,0,0|0,0,2]=4 9941 B12R1.372 CC#CCCOC1CCCC1=O b925c39af8c64f06946b023cf32c6358 [0,1,0,1,0,0|0,0,2]=4 9942 B12R1.372 CC/C=C/COC1CCCC1=O bdb89044b248d3b753abfafb8d15730f [0,1,0,1,0,0|0,0,2]=4 9943 B12R1.372 CC/C=C\COC1CCCC1=O 5fdad308191915844741d6c4db0b39c5 [0,1,0,1,0,0|0,0,2]=4 9944 B12R1.372 CCCCCNC1CCCC1=O ee442f970f1fa1ee4a9db9391b24d53a [0,1,0,1,0,0|1,0,0]=3 9945 B12R1.372 CCCCCNC1CCNC1=O b5b11464e34ca7be5ae68c50ed213575 [0,1,0,1,0,0|2,0,0]=4 9946 B12R1.372 CCCCCNC1CCSC1=O 802e02600aa87d7fe805608c11f18a23 [0,1,0,1,0,0|2,0,0]=4 9947 B12R1.372 CCCCCN[C@@H]1CCNC1=O 892385b118360b4565519333248ab3dd [0,1,0,1,0,0|2,0,0]=4 9948 B12R1.372 CCCCCN[C@@H]1CCOC1=O 7212ebc7be958345e7bfa471743aa816 [0,1,0,1,0,0|2,0,0]=4 9949 B12R1.372 CCCCCN[C@H]1CCNC1=O fb4d9d978b0b440ba8eb3a9b0ac2d0b9 [0,1,0,1,0,0|2,0,0]=4 9950 B12R1.372 CCCCCN[C@H]1CCOC1=O 618588e0860ed1267536e804aa87f039 [0,1,0,1,0,0|2,0,0]=4 9951 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [0,1,0,1,0,0|0,0,1]=3 9952 B12R1.372 CCCCCOC1CCC=C1Br d79c0e67be185fbd013e5558933629af [0,1,0,1,0,0|1,0,1]=4 9953 B12R1.372 CCCCCOC1CCCC1=O 8a94f72c221bfb3778ff555968a511d0 [0,1,0,1,0,0|0,0,0]=2 9954 B12R1.372 CCCCCOC1CCCC1C e9926356ffb91878faea7ef4401d80b5 [0,1,0,1,0,0|1,0,1]=4 9955 B12R1.372 CCCCCOC1CCNC1=O a88bf4ea9896d6460f8e3bc84a5fbeb5 [0,1,0,1,0,0|1,0,0]=3 9956 B12R1.372 CCCCCO[C@@H]1CCC[C@@H]1C 07b058795584511e06649a576d521942 [0,1,0,1,0,0|1,0,1]=4 9957 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1C 70d737aa6bc468f185475de68e02881e [0,1,0,1,0,0|1,0,1]=4 9958 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1F ea9818235061c43c1693a4e75e76d891 [0,1,0,1,0,0|1,0,1]=4 9959 B12R1.372 CCCCCO[C@@H]1CCNC1=O a980c3a66196f4b1dbcfcc5c360a295d [0,1,0,1,0,0|1,0,0]=3 9960 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1C 7ef388797565a3807f2ac44cbdc20e74 [0,1,0,1,0,0|1,0,1]=4 9961 B12R1.372 CCCCCO[C@H]1CCC[C@H]1C 44ca27b5de0d9ad197903ac595038d02 [0,1,0,1,0,0|1,0,1]=4 9962 B12R1.372 CCCCCO[C@H]1CCNC1=O 1ed61ea4c0c0fefb63ad3eb8a029cd25 [0,1,0,1,0,0|1,0,0]=3 9963 B12R1.372 CCCCNCC1CCNC1=O 8d3e15dfa61debdb3c9a5e0239b97a03 [0,1,0,1,0,0|2,0,0]=4 9964 B12R1.372 CCCCNCN1CCCC1=O c5ae5812969cc9da5c4626849cdc1818 [0,1,0,1,0,0|1,0,0]=3 9965 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [0,1,0,1,0,0|1,0,1]=4 9966 B12R1.372 CCCCOCC1CCCC1=O 56225e28d37f7f94bad2272cfa718879 [0,1,0,1,0,0|1,0,0]=3 9967 B12R1.372 CCCCOCC1CCNC1=O eb1643d8e0010ad52ae0ef452ba55594 [0,1,0,1,0,0|2,0,0]=4 9968 B12R1.372 CCCCOCN1CCCC1=O 580af75aeeffe9cecf4715ca31375fb3 [0,1,0,1,0,0|1,0,0]=3 9969 B12R1.372 CCCNCCC1CCNC1=O 24463c5f401282f211301d72def9d51d [0,1,0,1,0,0|2,0,0]=4 9970 B12R1.372 CCCNCCN1CCCC1=O 38f0f8ba483f1750ff441fc6bdfc384c [0,1,0,1,0,0|1,0,0]=3 9971 B12R1.372 CCCNCCN1CCNC1=O 331ea28d0900e6eecff407cf68823feb [0,1,0,1,0,0|2,0,0]=4 9972 B12R1.372 CCCOCCC1CCNC1=O ac53f15b35b284415b985905fa48111b [0,1,0,1,0,0|2,0,0]=4 9973 B12R1.372 CCCOCCN1CCCC1=O 7b5ed8bcb4a3c5a6085cdd9832fd6bf3 [0,1,0,1,0,0|1,0,0]=3 9974 B12R1.372 CCCOCCN1CCNC1=O 84dca610785737bc3c517858c4e6cfe0 [0,1,0,1,0,0|2,0,0]=4 9975 B12R1.372 CCNCCCN1CCCC1=O eb7727125c7e45885d666a75794c1e2c [0,1,0,1,0,0|1,0,0]=3 9976 B12R1.372 CCOCCCN1CCCC1=O b7a5a9adf6e9c3b980ad8af856bf4c51 [0,1,0,1,0,0|1,0,0]=3 9977 B12R1.372 CCOCCOC1=CCCC1=O 41f2e8fcf02b3fda2952dfb46c050360 [0,1,0,1,0,0|1,0,1]=4 9978 B12R1.372 CCOCCOC1CCCC1=O d125479d74b837a3643280d45d7c5c82 [0,1,0,1,0,0|1,0,0]=3 9979 B12R1.372 CCOCCOC1CCNC1=O e35c90838ad8c799df25228168c94e97 [0,1,0,1,0,0|2,0,0]=4 9980 B12R1.372 CCOCCOC1CCOC1=O deb272874cee40ccaabec8f61573b558 [0,1,0,1,0,0|2,0,0]=4 9981 B12R1.372 CCOCCO[C@@H]1CCNC1=O 5621ccc91a9be6482e29a66b8c6e16ef [0,1,0,1,0,0|2,0,0]=4 9982 B12R1.372 CCOCCO[C@@H]1CCOC1=O e59351554bab5e0b1d159cbe3c4abf1d [0,1,0,1,0,0|2,0,0]=4 9983 B12R1.372 CCOCCO[C@H]1CCNC1=O 6107d8b8894ca3d59cdd1451decb028c [0,1,0,1,0,0|2,0,0]=4 9984 B12R1.372 CCOCCO[C@H]1CCOC1=O 50a05c26ebd5857c36c25a169bb61c66 [0,1,0,1,0,0|2,0,0]=4 9985 B12R1.372 CCOCOCC1CCCC1=O 01dde0e5f84b13c22dc68589cf880004 [0,1,0,1,0,0|2,0,0]=4 9986 B12R1.372 CCOCOCN1CCCC1=O b0506732145ba49ea4445aadd97b06d9 [0,1,0,1,0,0|2,0,0]=4 9987 B12R1.372 CCSCCNC1CCCC1=O cb488dfae780168f159814ba3c24569f [0,1,0,1,0,0|2,0,0]=4 9988 B12R1.372 CCSCCOC1=CCCC1=O f5d8908dead934779bc6da8153eab64c [0,1,0,1,0,0|1,0,1]=4 9989 B12R1.372 CCSCCOC1CCCC1=O 22337a27a9a12bba96ad7c59eb5b046f [0,1,0,1,0,0|1,0,0]=3 9990 B12R1.372 CCSCCOC1CCNC1=O 64127845d0a618fd1c124c3efca9e383 [0,1,0,1,0,0|2,0,0]=4 9991 B12R1.372 CCSCCO[C@@H]1CCNC1=O 12af486cc7a6e075a8e90b838458631d [0,1,0,1,0,0|2,0,0]=4 9992 B12R1.372 CCSCCO[C@H]1CCNC1=O 1f8a92c0a38abe9084931d9a8e7a2661 [0,1,0,1,0,0|2,0,0]=4 9993 B12R1.372 COCCCOC1=CCCC1=O 165cc3388ff355ad6a5eb89f04e4b89b [0,1,0,1,0,0|1,0,1]=4 9994 B12R1.372 COCCCOC1CCCC1=O 34d0e8a582a1ed1d985e8a2d5f75f0fd [0,1,0,1,0,0|1,0,0]=3 9995 B12R1.372 COCCCOC1CCNC1=O 1ef0c88ca6df4af0dc02248e55a62f8e [0,1,0,1,0,0|2,0,0]=4 9996 B12R1.372 COCCCOC1CCOC1=O d398b710a51459508fe9395397b5e054 [0,1,0,1,0,0|2,0,0]=4 9997 B12R1.372 COCCCO[C@@H]1CCNC1=O afd2228fff15454ef12b304289f023a7 [0,1,0,1,0,0|2,0,0]=4 9998 B12R1.372 COCCCO[C@@H]1CCOC1=O 9f5e02132a3fbbd5062c7b06ecaf100d [0,1,0,1,0,0|2,0,0]=4 9999 B12R1.372 COCCCO[C@H]1CCNC1=O 7f5b48e5f8b0fec30e578dff7ba373cf [0,1,0,1,0,0|2,0,0]=4 10000 B12R1.372 COCCCO[C@H]1CCOC1=O f7dce473e9729d977ca304f0a5df321a [0,1,0,1,0,0|2,0,0]=4 10001 B12R1.372 COCCNCN1CCCC1=O 822b03ac72d0c6268e9e929297b132ad [0,1,0,1,0,0|2,0,0]=4 10002 B12R1.372 COCCOCC1CCCC1=O 3bf01d1567b29d97d5c85c76ead134e4 [0,1,0,1,0,0|2,0,0]=4 10003 B12R1.372 COCCOCN1CCCC1=O 27b1d3dd3d9030fbda25d9dd765b1add [0,1,0,1,0,0|2,0,0]=4 10004 B12R1.372 COCNCCN1CCCC1=O 3c45bab28329468dc9d00ea128d0bf90 [0,1,0,1,0,0|2,0,0]=4 10005 B12R1.372 COCOCCN1CCCC1=O 369f65603df36fd921f2665a60a8358a [0,1,0,1,0,0|2,0,0]=4 10006 B12R1.372 CSCCCNC1CCCC1=O 92b433124fe138e460d03b0a7668ca7d [0,1,0,1,0,0|2,0,0]=4 10007 B12R1.372 CSCCCOC1=CCCC1=O 43d3d6cf7864e5d703e3ee69ac98ea57 [0,1,0,1,0,0|1,0,1]=4 10008 B12R1.372 CSCCCOC1CCCC1=O 1ff07198924dce1ed7eea01d7ce2b64a [0,1,0,1,0,0|1,0,0]=3 10009 B12R1.372 CSCCCOC1CCNC1=O d0f9c4718094ea67e5fe1d8501cd4a9e [0,1,0,1,0,0|2,0,0]=4 10010 B12R1.372 CSCCCOC1CCOC1=O 12ffce4c701eeb8044a4afcb87a9e2eb [0,1,0,1,0,0|2,0,0]=4 10011 B12R1.372 CSCCCO[C@@H]1CCNC1=O 1e668f4f5f23dede35b2842092ad386a [0,1,0,1,0,0|2,0,0]=4 10012 B12R1.372 CSCCCO[C@@H]1CCOC1=O e8bcfbdd640195cb94d3f3f628e8a869 [0,1,0,1,0,0|2,0,0]=4 10013 B12R1.372 CSCCCO[C@H]1CCNC1=O 6b26dcff554f2c543d2a974e254e0c7d [0,1,0,1,0,0|2,0,0]=4 10014 B12R1.372 CSCCCO[C@H]1CCOC1=O 3bd2301bfc34d15e4b146c35bcc16f8f [0,1,0,1,0,0|2,0,0]=4 10015 B12R1.372 CSCCNCN1CCCC1=O 6f14e60cc08b8775fb8231765c7a2a97 [0,1,0,1,0,0|2,0,0]=4 10016 B12R1.372 CSCCOCC1CCCC1=O f09eb6c11c761ed831ee3036ba66ec54 [0,1,0,1,0,0|2,0,0]=4 10017 B12R1.372 CSCCOCN1CCCC1=O aca5ac002f6cfbacdaa2e7b00f3b885e [0,1,0,1,0,0|2,0,0]=4 10018 B12R1.372 CSCNCCN1CCCC1=O be59ba66e4828b9324d2f3cdef4969f6 [0,1,0,1,0,0|2,0,0]=4 10019 B12R1.372 CSCOCCN1CCCC1=O e2f0d65a89b48da0181f8d74c2e948a0 [0,1,0,1,0,0|2,0,0]=4 10020 B12R1.372 N#CCCCOC1CCCC1=O f8e31648865c7ae7a8d38f3b900b842e [0,1,0,1,0,0|1,0,1]=4 10021 B12R1.372 O=C1CCC=C1OCCCCF 13c983eb7c3c1586a61dd2514578e56f [0,1,0,1,0,0|1,0,1]=4 10022 B12R1.372 O=C1CCCC1COCCCF 4dfe15b582532d815351c110d587afec [0,1,0,1,0,0|2,0,0]=4 10023 B12R1.372 O=C1CCCC1COCCCS 68c99b9bdff22eb14860db41a4adc0b5 [0,1,0,1,0,0|2,0,0]=4 10024 B12R1.372 O=C1CCCC1NCCCCCl afca07d6ff322d2a6ae1cd7a57ea6cea [0,1,0,1,0,0|2,0,0]=4 10025 B12R1.372 O=C1CCCC1NCCCCO 122e0ed28f36539e4f892f5b8472123a [0,1,0,1,0,0|2,0,0]=4 10026 B12R1.372 O=C1CCCC1NCCCCS a886ab336dcfe1a1334ae60eb1694fda [0,1,0,1,0,0|2,0,0]=4 10027 B12R1.372 O=C1CCCC1OCCCCF 4f81d63044fc9c752ffcf2783f878862 [0,1,0,1,0,0|1,0,0]=3 10028 B12R1.372 O=C1CCCC1OCCCCS 0fccd70f083bcb9daf5e1bee5f1e8dc0 [0,1,0,1,0,0|1,0,0]=3 10029 B12R1.372 O=C1CCCN1CCCNCF bf1c2368faacb67c97655b33c4e49991 [0,1,0,1,0,0|2,0,0]=4 10030 B12R1.372 O=C1CCCN1CCCNCO 451ee78ded5b4dc425973da97d9f471f [0,1,0,1,0,0|2,0,0]=4 10031 B12R1.372 O=C1CCCN1CCCOCF 4e0eb7f432b60eb3db61a127e5fc1ede [0,1,0,1,0,0|2,0,0]=4 10032 B12R1.372 O=C1CCCN1CCNCCBr b263451a37b92b462d2494aadf70aa44 [0,1,0,1,0,0|2,0,0]=4 10033 B12R1.372 O=C1CCCN1CCNCCF fa6a00a8d3ac7cfc7f49c14070a59344 [0,1,0,1,0,0|2,0,0]=4 10034 B12R1.372 O=C1CCCN1CCNCCI aef00bd89f75a34bb9b6639e1e48cf60 [0,1,0,1,0,0|2,0,0]=4 10035 B12R1.372 O=C1CCCN1CCNCCO 0ea0712c1ed20e2c14647236a9d6e9ef [0,1,0,1,0,0|2,0,0]=4 10036 B12R1.372 O=C1CCCN1CCNCCS 56bead2e4ee27093f7135878940daea6 [0,1,0,1,0,0|2,0,0]=4 10037 B12R1.372 O=C1CCCN1CCOCCF 9eda54008e6a8caeb2c48c99cb5bc65c [0,1,0,1,0,0|2,0,0]=4 10038 B12R1.372 O=C1CCCN1CCOCCS 0903b2b6bcc65e20eefc2a9fc68d8d2b [0,1,0,1,0,0|2,0,0]=4 10039 B12R1.372 O=C1CCCN1CNCCCCl 0c0ef02236344f8f1f5750927283840c [0,1,0,1,0,0|2,0,0]=4 10040 B12R1.372 O=C1CCCN1CNCCCO 6ff4d3a4b8e07169fe1fe96964b5cba6 [0,1,0,1,0,0|2,0,0]=4 10041 B12R1.372 O=C1CCCN1COCCCF 4140e3d5e0cba5c7a656525b788e3fc7 [0,1,0,1,0,0|2,0,0]=4 10042 B12R1.372 O=C1CCCN1COCCCS 42999b6d4850236aabba0d68bf204db7 [0,1,0,1,0,0|2,0,0]=4 10043 B12R1.372 O=C1NCCC1OCCCCF 9b0d27676aab03bd1656df4e20f4e5b4 [0,1,0,1,0,0|2,0,0]=4 10044 B12R1.372 O=C1NCCC1OCCCCS 0166ca4ab88b0a6a578837cd5bb0b6d8 [0,1,0,1,0,0|2,0,0]=4 10045 B12R1.372 O=C1NCC[C@@H]1OCCCCF f08d8317eca1e60e35921a1323394d36 [0,1,0,1,0,0|2,0,0]=4 10046 B12R1.372 O=C1NCC[C@H]1OCCCCF 8ecc54487a804046af01d2391f9e74ea [0,1,0,1,0,0|2,0,0]=4 10047 B12R1.372 O=C1OCCC1OCCCCF 58bfe3f887f13f14ee409f937a368a01 [0,1,0,1,0,0|2,0,0]=4 10048 B12R1.372 O=C1OCC[C@@H]1OCCCCF f7944bb0e27280fd9f1bf73315a8872e [0,1,0,1,0,0|2,0,0]=4 10049 B12R1.372 O=C1OCC[C@H]1OCCCCF 3bf242c0327fef9cf7d488091262009c [0,1,0,1,0,0|2,0,0]=4 10050 B12R1.372 O=CCCCOC1CCCC1=O fedcf646386e3c21709937b1f051f1be [0,1,0,1,0,0|1,0,1]=4 10051 B12R1.535 CCCC(=O)N1CCC1CCO 4ebcb8437d3c75c4adfbbf8482523cc3 [0,1,0,1,0,0|1,0,0]=3 10052 B12R1.535 CCCC(=O)N1CCC1COC 4c23fb03021907cccd8f4393babe8e97 [0,1,0,1,0,0|1,0,0]=3 10053 B12R1.535 CCCC(=O)N1CC[C@@H]1COC 2c0c148b3925a405a0c0ff37185be227 [0,1,0,1,0,0|1,0,0]=3 10054 B12R1.535 CCCC(=O)N1CC[C@H]1COC 9cd6fa261a43687a30b7a7abc12def7a [0,1,0,1,0,0|1,0,0]=3 10055 B12R1.535 COCC(=O)N1CCC1CCO 6f1348c50b157e64c4b36bceb58a99a4 [0,1,0,1,0,0|2,0,0]=4 10056 B12R1.535 COCC(=O)N1CCC1COC 5efbcb1a7b0735713dc8e82914edaccc [0,1,0,1,0,0|2,0,0]=4 10057 B12R1.535 COCC(=O)N1CC[C@@H]1COC 357f8d299f70ff262d4cff401273ba1c [0,1,0,1,0,0|2,0,0]=4 10058 B12R1.535 COCC(=O)N1CC[C@H]1COC 09b42188e84c640c07e5198c309184c1 [0,1,0,1,0,0|2,0,0]=4 10059 B12R1.535 COCC1CCN1C(=O)CCF 1409e4a2186567991b0310360b477670 [0,1,0,1,0,0|2,0,0]=4 10060 B12R1.535 COCC1CCN1C(=O)CCO f979965f921a7c18151f1fd5846caeb4 [0,1,0,1,0,0|2,0,0]=4 10061 B12R1.535 COCC1CCN1C(=O)CCS 0eba0842646f7456cfb6a12a32c04bf7 [0,1,0,1,0,0|2,0,0]=4 10062 B12R1.535 COCC1CCN1C(=O)CSC afa04074e99c88a73e6aefdff12122da [0,1,0,1,0,0|2,0,0]=4 10063 B12R1.535 COC[C@@H]1CCN1C(=O)CCF 74acf2d1f6958979a2ed22c650677312 [0,1,0,1,0,0|2,0,0]=4 10064 B12R1.535 COC[C@@H]1CCN1C(=O)CCO d5c31e8f7cdaa09577f7de9e16d4f365 [0,1,0,1,0,0|2,0,0]=4 10065 B12R1.535 COC[C@@H]1CCN1C(=O)CCS ecbc75826b91ba39c37b887000e4e26b [0,1,0,1,0,0|2,0,0]=4 10066 B12R1.535 COC[C@@H]1CCN1C(=O)CSC 4e94ded432c472a76beacbb13e96a7ac [0,1,0,1,0,0|2,0,0]=4 10067 B12R1.535 COC[C@H]1CCN1C(=O)CCF 685ac26617511eee39ee4c343197117e [0,1,0,1,0,0|2,0,0]=4 10068 B12R1.535 COC[C@H]1CCN1C(=O)CCO 74fadbefe2c4e124dc502e61b567297c [0,1,0,1,0,0|2,0,0]=4 10069 B12R1.535 COC[C@H]1CCN1C(=O)CCS ab627cbc187650d40da827351adb1f12 [0,1,0,1,0,0|2,0,0]=4 10070 B12R1.535 COC[C@H]1CCN1C(=O)CSC bc2b83af1558f5f25dbb7be874477973 [0,1,0,1,0,0|2,0,0]=4 10071 B12R1.535 CSCC(=O)N1CCC1CCO 77557ba9b2505be8358f051e735e54ac [0,1,0,1,0,0|2,0,0]=4 10072 B12R1.535 O=C(CCF)N1CCC1CCO 76f0cc4a795c62f1a3f4c337bfadf90d [0,1,0,1,0,0|2,0,0]=4 10073 B12R1.535 O=C(CCO)N1CCC1CCO 7fae622226b3aa4b16576b596d5e0893 [0,1,0,1,0,0|2,0,0]=4 10074 B12R1.535 O=C(CCS)N1CCC1CCO f20be8ba932e79cef973ed223f641c38 [0,1,0,1,0,0|2,0,0]=4 10075 B12R1.542 CCC1C(=O)NCCN1CCF ba9f85d2a1a73427458cb456f10426c1 [0,1,0,1,0,0|2,0,0]=4 10076 B12R1.542 CCC1C(=O)NCCN1CCO f695d01919cad032260b6962a04d8bdb [0,1,0,1,0,0|2,0,0]=4 10077 B12R1.542 CCC1C(=O)NCCN1CCS e5a051971b5411fa0d3226439115e9c5 [0,1,0,1,0,0|2,0,0]=4 10078 B12R1.542 CCC1C(=O)NCCN1COC 2286dfbe9d721d911339406021a8ea8f [0,1,0,1,0,0|2,0,0]=4 10079 B12R1.542 CCC1C(=O)NCCN1CSC 5d7003864a175bd381e926b203571564 [0,1,0,1,0,0|2,0,0]=4 10080 B12R1.542 CCCN1CCNC(=O)C1CC 459f9374ebcb2ea4ee16c7e8fe87fb61 [0,1,0,1,0,0|1,0,0]=3 10081 B12R1.822 CCCC(=O)N[C@H]1C[C@@H]1COC e51586e56e77cf19004c6771b8ce6a0e [0,1,0,1,0,0|1,0,0]=3 10082 B12R1.822 CCCC(=O)N[C@H]1C[C@H]1COC 1d11b3c34227975a54c7731b15773c7f [0,1,0,1,0,0|1,0,0]=3 10083 B12R1.822 COCC(=O)N[C@H]1C[C@@H]1COC b2f1fc9b819a7d1a20e93ae01bb452ed [0,1,0,1,0,0|2,0,0]=4 10084 B12R1.822 COCC(=O)N[C@H]1C[C@H]1COC ccaea284f80d210f6f1d5ea9f41dc2bc [0,1,0,1,0,0|2,0,0]=4 10085 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CCF 6825ec2fa5e610f30a729d9172a3b63e [0,1,0,1,0,0|2,0,0]=4 10086 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CCO 03335b3bd152b8be78680db8c78b6543 [0,1,0,1,0,0|2,0,0]=4 10087 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CCS a1d9a71fd02a50ce2525bfda7045e7e1 [0,1,0,1,0,0|2,0,0]=4 10088 B12R1.822 COC[C@@H]1C[C@@H]1NC(=O)CSC bb640f284176d2c7dc246fe9b3c341e6 [0,1,0,1,0,0|2,0,0]=4 10089 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CCF 6f93496b0bf68d18481233271da07a20 [0,1,0,1,0,0|2,0,0]=4 10090 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CCO 4b9a3e822551a49aef1cccfa6a9997bd [0,1,0,1,0,0|2,0,0]=4 10091 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CCS 366efd33e19da47916fbf9aa25ecd85d [0,1,0,1,0,0|2,0,0]=4 10092 B12R1.822 COC[C@H]1C[C@@H]1NC(=O)CSC 746fe1c04820959a0ad21afe27e77bfb [0,1,0,1,0,0|2,0,0]=4 10093 B12R1.923 C#CCCCOCC(=O)C1CC1 922d14b9c04da5579169a02758d4a6c5 [0,1,0,1,0,0|0,0,2]=4 10094 B12R1.923 C#CCCNCOC(=O)C1CC1 04d04c2a23f228574c403c9c81092b55 [0,1,0,1,0,0|0,0,2]=4 10095 B12R1.923 C#CCCOCOC(=O)C1CC1 d7ee5e9ef191dfd0a1f935925fde37fa [0,1,0,1,0,0|0,0,2]=4 10096 B12R1.923 C/C=C/CCOCC(=O)C1CC1 5f32a1a7d30ee4e8307ec021585a7410 [0,1,0,1,0,0|0,0,2]=4 10097 B12R1.923 C/C=C/COCOC(=O)C1CC1 8a3cc2aea34bf6258f99b2eabf75af6e [0,1,0,1,0,0|0,0,2]=4 10098 B12R1.923 C/C=C\COCOC(=O)C1CC1 2752b4c93e67ba9d81c2155f868f9ecd [0,1,0,1,0,0|0,0,2]=4 10099 B12R1.923 C=CCCCOCC(=O)C1CC1 f7a505f4446b9e6abab67da924ab2296 [0,1,0,1,0,0|0,0,2]=4 10100 B12R1.923 C=CCCNCOC(=O)C1CC1 e5f759839475d957c85717f4a14a9957 [0,1,0,1,0,0|0,0,2]=4 10101 B12R1.923 C=CCCOCOC(=O)C1CC1 78d6329496133441c1e0658df26e7595 [0,1,0,1,0,0|0,0,2]=4 10102 B12R1.923 CC#CCCOCC(=O)C1CC1 ecde7c20444c4729f337eef997a3044d [0,1,0,1,0,0|0,0,2]=4 10103 B12R1.923 CC#CCNCOC(=O)C1CC1 a2588e28084b0cd9bb14842a63d44e07 [0,1,0,1,0,0|0,0,2]=4 10104 B12R1.923 CC#CCOCOC(=O)C1CC1 342545d1f5eb847da565f4d45445d328 [0,1,0,1,0,0|0,0,2]=4 10105 B12R1.923 CC(OCCCCCF)C1CC1 dd2b4faf2f5d2182e018cffe74e25188 [0,1,0,1,0,0|1,0,1]=4 10106 B12R1.923 CC/C=C/COCC(=O)C1CC1 e09410851f4e6e3419534fa7138b53af [0,1,0,1,0,0|0,0,2]=4 10107 B12R1.923 CC/C=C\COCC(=O)C1CC1 30eceba5ae319b400efc8bd3faaf6d26 [0,1,0,1,0,0|0,0,2]=4 10108 B12R1.923 CC=CCNCOC(=O)C1CC1 789ce307a6754e2806dfefa29571b7e5 [0,1,0,1,0,0|0,0,2]=4 10109 B12R1.923 CC=CCOCOC(=O)C1CC1 242cf3ae86850b09e90ffb0d180e61c1 [0,1,0,1,0,0|0,0,2]=4 10110 B12R1.923 CCC#CCOCC(=O)C1CC1 578cc4de59126c917d068eae5ed11d98 [0,1,0,1,0,0|0,0,2]=4 10111 B12R1.923 CCCCCCOC(C)C1CC1 e251b872f2ae4fbaf9bf636463f97251 [0,1,0,1,0,0|1,0,1]=4 10112 B12R1.923 CCCCCCO[C@@H](C)C1CC1 35d21c045cdcf8e3c1d6ab4babea9548 [0,1,0,1,0,0|1,0,1]=4 10113 B12R1.923 CCCCCCO[C@H](C)C1CC1 9800d5430195dbb61a38f4d700f85e1a [0,1,0,1,0,0|1,0,1]=4 10114 B12R1.923 CCCCCNCC(=O)C1CC1 eecb79873501462c1b37ecb7ebec965f [0,1,0,1,0,0|1,0,0]=3 10115 B12R1.923 CCCCCOCC(=O)C1CC1 80dc3a9572e032e04ac20c3f0a63a1e9 [0,1,0,1,0,0|0,0,0]=2 10116 B12R1.923 CCCCCOCC(C)C1CC1 9c4f8e82718d6b2d5140872c77370d25 [0,1,0,1,0,0|1,0,1]=4 10117 B12R1.923 CCCCNCOC(=O)C1CC1 bbdee4030b64226942c67fcaa3341eab [0,1,0,1,0,0|0,0,0]=2 10118 B12R1.923 CCCCOCOC(=O)C1CC1 9cea42cfcae687eec32839cb5af92c57 [0,1,0,1,0,0|0,0,0]=2 10119 B12R1.923 CCCCOCOC(C)C1CC1 5c2b5e6faed88f31a5cea5fcd21b8eac [0,1,0,1,0,0|1,0,1]=4 10120 B12R1.923 CCCCOCO[C@@H](C)C1CC1 0588715e85dafd7bb39f84a7fe93d6a4 [0,1,0,1,0,0|1,0,1]=4 10121 B12R1.923 CCCCOCO[C@H](C)C1CC1 5d88b7365deefb54553fc9887512fea5 [0,1,0,1,0,0|1,0,1]=4 10122 B12R1.923 CCCOCCOC(C)C1CC1 dba513008b7490940fadde7756e74c0f [0,1,0,1,0,0|1,0,1]=4 10123 B12R1.923 CCCOCCO[C@@H](C)C1CC1 5e3395eb33b8898d3998b55f38dadf14 [0,1,0,1,0,0|1,0,1]=4 10124 B12R1.923 CCCOCCO[C@H](C)C1CC1 b918397325b80a8310d196256cd5bb47 [0,1,0,1,0,0|1,0,1]=4 10125 B12R1.923 CCCSCCOC(C)C1CC1 36bb559dd316d6cf2e8dd34a72ed47e4 [0,1,0,1,0,0|1,0,1]=4 10126 B12R1.923 CCOCCCOC(C)C1CC1 5637035e2bf77bd86a3dda99303a5468 [0,1,0,1,0,0|1,0,1]=4 10127 B12R1.923 CCOCCCO[C@@H](C)C1CC1 e5e2fce18272bada0bf61eb5d8b90890 [0,1,0,1,0,0|1,0,1]=4 10128 B12R1.923 CCOCCCO[C@H](C)C1CC1 e3809dca7f7907c523b90a0ebfb8ade0 [0,1,0,1,0,0|1,0,1]=4 10129 B12R1.923 CCOCCNCC(=O)C1CC1 011558e3732568d427774cc43d5833ee [0,1,0,1,0,0|2,0,0]=4 10130 B12R1.923 CCOCCOCC(=O)C1CC1 f33792fda3434cf19916e73508e23616 [0,1,0,1,0,0|1,0,0]=3 10131 B12R1.923 CCSCCCOC(C)C1CC1 b8196868d72c384ef1a8b509940a1a34 [0,1,0,1,0,0|1,0,1]=4 10132 B12R1.923 CCSCCCO[C@@H](C)C1CC1 5e06a87189c6f1b1e6176521af4b5aa5 [0,1,0,1,0,0|1,0,1]=4 10133 B12R1.923 CCSCCCO[C@H](C)C1CC1 243e0cb91a279682a7ed439fc64bc87e [0,1,0,1,0,0|1,0,1]=4 10134 B12R1.923 CCSCCNCC(=O)C1CC1 afd307006929785a4b08e8fdf2677ba6 [0,1,0,1,0,0|2,0,0]=4 10135 B12R1.923 CCSCCOCC(=O)C1CC1 88bd88fd78dd52b95ff452e05171637b [0,1,0,1,0,0|1,0,0]=3 10136 B12R1.923 COCCCCOC(C)C1CC1 fd5e4c2719ac6815cf76bda4090df4a1 [0,1,0,1,0,0|1,0,1]=4 10137 B12R1.923 COCCCCO[C@@H](C)C1CC1 cc1457dcbbf82ee3491707b88b2b6649 [0,1,0,1,0,0|1,0,1]=4 10138 B12R1.923 COCCCCO[C@H](C)C1CC1 8ed82d059cefe355780f26554e0ef619 [0,1,0,1,0,0|1,0,1]=4 10139 B12R1.923 COCCCNCC(=O)C1CC1 c98e14c5efd2b4117cf2b69ee0e48470 [0,1,0,1,0,0|2,0,0]=4 10140 B12R1.923 COCCCOCC(=O)C1CC1 87b2f8b1b5a29f9540c89e80d319e431 [0,1,0,1,0,0|1,0,0]=3 10141 B12R1.923 COCCNCOC(=O)C1CC1 ba2435b04417bc2243d98ecc08c5185c [0,1,0,1,0,0|1,0,0]=3 10142 B12R1.923 COCCOCOC(=O)C1CC1 705eb3055196363511b0fe747999c221 [0,1,0,1,0,0|1,0,0]=3 10143 B12R1.923 CSCCCCOC(C)C1CC1 815eeb2f394e4f80423aaa7fdc28b13f [0,1,0,1,0,0|1,0,1]=4 10144 B12R1.923 CSCCCNCC(=O)C1CC1 9f94e412c9c5125100da9c226c9cecfd [0,1,0,1,0,0|2,0,0]=4 10145 B12R1.923 CSCCCOCC(=O)C1CC1 965582ce29473f66adff7e2a590424d8 [0,1,0,1,0,0|1,0,0]=3 10146 B12R1.923 CSCCNCOC(=O)C1CC1 efc77fd0cfc1b7157d999dc7d4d4b692 [0,1,0,1,0,0|1,0,0]=3 10147 B12R1.923 CSCCOCOC(=O)C1CC1 3daca77f4019d1f88523876373d13749 [0,1,0,1,0,0|1,0,0]=3 10148 B12R1.923 C[C@@H](OCCCCCF)C1CC1 34c324f7c83cde0f2c9c8ac00113032d [0,1,0,1,0,0|1,0,1]=4 10149 B12R1.923 C[C@H](OCCCCCF)C1CC1 bd28f639f56e8ec00311498d018d5abd [0,1,0,1,0,0|1,0,1]=4 10150 B12R1.923 N#CCCCOCC(=O)C1CC1 81db550a3fef8c780d4635dace04e3c8 [0,1,0,1,0,0|1,0,1]=4 10151 B12R1.923 N#CCCNCOC(=O)C1CC1 a3981e758793e793d39a1f8ffae844cc [0,1,0,1,0,0|1,0,1]=4 10152 B12R1.923 N#CCCOCOC(=O)C1CC1 8b4a246b193ecd9bbad4372aefd23c5d [0,1,0,1,0,0|1,0,1]=4 10153 B12R1.923 NOCCNCOC(=O)C1CC1 446e4b6420e5c6379483d4a17451be66 [0,1,0,1,0,0|2,0,0]=4 10154 B12R1.923 O=C(CNCCCCCl)C1CC1 53a2c98337c8457d9518ad99faf2f0e7 [0,1,0,1,0,0|2,0,0]=4 10155 B12R1.923 O=C(CNCCCCO)C1CC1 423cf9a2b7b33e280f39c54a4aac6ff8 [0,1,0,1,0,0|2,0,0]=4 10156 B12R1.923 O=C(CNCCCCS)C1CC1 d6f509c7e558d990396c2551e64a9ce9 [0,1,0,1,0,0|2,0,0]=4 10157 B12R1.923 O=C(COCCCCF)C1CC1 7cb3be84d6f30f96294be92b06be9d6b [0,1,0,1,0,0|1,0,0]=3 10158 B12R1.923 O=C(COCCCCS)C1CC1 f7d4322bd9de3a8c59ddb9013ed8ff89 [0,1,0,1,0,0|1,0,0]=3 10159 B12R1.923 O=C(OCNCCCCl)C1CC1 56f3cf011dc82ec421b6fe30c0c3e4e2 [0,1,0,1,0,0|1,0,0]=3 10160 B12R1.923 O=C(OCNCCCO)C1CC1 c9bfdad1c7d62f3b3a6e13135cfee407 [0,1,0,1,0,0|1,0,0]=3 10161 B12R1.923 O=C(OCOCCCF)C1CC1 587612c51c05f5f20d22518976d6b72a [0,1,0,1,0,0|1,0,0]=3 10162 B12R1.923 O=C(OCOCCCS)C1CC1 d89b6435fa115521cb3f90c022fbc11f [0,1,0,1,0,0|1,0,0]=3 10163 B12R1.923 O=CCCCOCC(=O)C1CC1 2fa7f4d28c2c0bdf61b6b459f5c94c4e [0,1,0,1,0,0|1,0,1]=4 10164 B12R1.923 O=CCCOCOC(=O)C1CC1 dbf0696feb4ade8fc41fbceb9a8608b6 [0,1,0,1,0,0|1,0,1]=4 10165 B12R1.1141 CC1CC(=O)NCCN1CCF 4e19e8ab1d89f09133282a01e33cf09f [0,1,0,1,0,0|2,0,0]=4 10166 B12R1.1141 CC1CC(=O)NCCN1CCO 5886db86ad71b23899f218891cf98477 [0,1,0,1,0,0|2,0,0]=4 10167 B12R1.1141 CC1CC(=O)NCCN1CCS 18798c2d130237887cf40e810f95d690 [0,1,0,1,0,0|2,0,0]=4 10168 B12R1.1141 CCCN1CCNC(=O)CC1C 5ce5a1ade46b2a836418ce629379465f [0,1,0,1,0,0|1,0,0]=3 10169 B12R1.1141 COCN1CCNC(=O)CC1C e910f92c2b1d008174b0483824af238e [0,1,0,1,0,0|2,0,0]=4 10170 B12R1.1141 CSCN1CCNC(=O)CC1C 0ef75aa7ebd3059448c05b903fc45200 [0,1,0,1,0,0|2,0,0]=4 10171 B12R1.1505 C=C1CC1COCC(=O)CCC 794d0a3e60901a3f027105a3cb966def [0,1,0,1,0,0|0,0,2]=4 10172 B12R1.1505 CCCC(=O)COCC1CC1C 87b0661d1c476daa3406f2544cbbacd0 [0,1,0,1,0,0|0,0,0]=2 10173 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@@H]1C e1ffb29a07fa389093428fe7852bf468 [0,1,0,1,0,0|0,0,0]=2 10174 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@@H]1F c791a8e23158cf377a06b5eb8bba55a1 [0,1,0,1,0,0|1,0,0]=3 10175 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@H]1C 445c14981404e0db549a48344c3ac3db [0,1,0,1,0,0|0,0,0]=2 10176 B12R1.1505 CCCC(=O)COC[C@@H]1C[C@H]1F 4d7eb324a7a25aed0aaacfcbc43a38bc [0,1,0,1,0,0|1,0,0]=3 10177 B12R1.1505 CCCC(=O)COC[C@H]1C[C@@H]1C e900aebf247a018cb48e71aada8454ed [0,1,0,1,0,0|0,0,0]=2 10178 B12R1.1505 CCCC(=O)COC[C@H]1C[C@@H]1F fa28a4a8ead86093f31956435f63b1f6 [0,1,0,1,0,0|1,0,0]=3 10179 B12R1.1505 CCCC(=O)COC[C@H]1C[C@H]1F 2429f23fabc62d79d6ea8ec59cb99a95 [0,1,0,1,0,0|1,0,0]=3 10180 B12R1.1505 CCCC(=O)OCNC1CC1C 249756bddf6a566dc759a2421eaf6da2 [0,1,0,1,0,0|0,0,0]=2 10181 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 63480396b74d02c998b081c7e18100f4 [0,1,0,1,0,0|1,0,0]=3 10182 B12R1.1505 CCCC(=O)OCN[C@H]1C[C@@H]1F 9dfbb70540b09a0b869c128d0d148727 [0,1,0,1,0,0|1,0,0]=3 10183 B12R1.1505 CCCC(=O)OCN[C@H]1C[C@H]1F 434755bcca1330f7bc80768061e12975 [0,1,0,1,0,0|1,0,0]=3 10184 B12R1.1505 CCCC(C)COCC1CC1C 20de894f72c7bb04e20506f202698e7d [0,1,0,1,0,0|1,0,1]=4 10185 B12R1.1505 CCCC(C)COC[C@@H]1C[C@@H]1C 56802ca7c310fd949e4850d3c6bce472 [0,1,0,1,0,0|1,0,1]=4 10186 B12R1.1505 CCCC(C)COC[C@@H]1C[C@H]1C a7afa90c8bd70a9072f393f5ac785bb9 [0,1,0,1,0,0|1,0,1]=4 10187 B12R1.1505 CCCC(C)COC[C@H]1C[C@@H]1C 4e097d54a3f86eb8983704fa429181a3 [0,1,0,1,0,0|1,0,1]=4 10188 B12R1.1505 CCNC(=O)CCNC1CC1C f592671b5f5c46fef9e8c1249effb6bc [0,1,0,1,0,0|2,0,0]=4 10189 B12R1.1505 CCNC(=O)COCC1CC1C 6004bc5e4bed422d27af7d5d2d3bb773 [0,1,0,1,0,0|1,0,0]=3 10190 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@@H]1C 324d0222e50049d3b71d2eef98b3fff9 [0,1,0,1,0,0|1,0,0]=3 10191 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@@H]1F 81fbd4f56b307209a5e941c3e61f331d [0,1,0,1,0,0|2,0,0]=4 10192 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@H]1C bd7a3b685c5361977099e9a011720efc [0,1,0,1,0,0|1,0,0]=3 10193 B12R1.1505 CCNC(=O)COC[C@@H]1C[C@H]1F 602a175249a6ea661d9655a8f7b3be2d [0,1,0,1,0,0|2,0,0]=4 10194 B12R1.1505 CCNC(=O)COC[C@H]1C[C@@H]1C 25c61b63f50ad1d6434271e2c008fde7 [0,1,0,1,0,0|1,0,0]=3 10195 B12R1.1505 CCNC(=O)COC[C@H]1C[C@@H]1F e60c541892ad72b125150a2622e3e169 [0,1,0,1,0,0|2,0,0]=4 10196 B12R1.1505 CCNC(=O)COC[C@H]1C[C@H]1F 94124b7d9ee2851f23c182a3246842eb [0,1,0,1,0,0|2,0,0]=4 10197 B12R1.1505 CCOC(=O)CCNC1CC1C c518c9f1a022b08c9fba7a6b6ec8f8f5 [0,1,0,1,0,0|2,0,0]=4 10198 B12R1.1505 CCOC(=O)COCC1CC1C 11ae855b17a737290305f3ff5d686b29 [0,1,0,1,0,0|1,0,0]=3 10199 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@@H]1C a79a2d3572b589643b59f450e44f649d [0,1,0,1,0,0|1,0,0]=3 10200 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@@H]1F c90f1170e220a45669ae156c22ec318e [0,1,0,1,0,0|2,0,0]=4 10201 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@H]1C 413e12c5899235a079c35504efbc6f37 [0,1,0,1,0,0|1,0,0]=3 10202 B12R1.1505 CCOC(=O)COC[C@@H]1C[C@H]1F 965dea2656dcc8ce709046b54ffd7120 [0,1,0,1,0,0|2,0,0]=4 10203 B12R1.1505 CCOC(=O)COC[C@H]1C[C@@H]1C e0764586ec52e3eb914fd34972a948ab [0,1,0,1,0,0|1,0,0]=3 10204 B12R1.1505 CCOC(=O)COC[C@H]1C[C@@H]1F feff9c1628d28624a9940b93747f1164 [0,1,0,1,0,0|2,0,0]=4 10205 B12R1.1505 CCOC(=O)COC[C@H]1C[C@H]1F 6401a6af05cd1a3fcb175f1519c1ce18 [0,1,0,1,0,0|2,0,0]=4 10206 B12R1.1505 CCOC(=O)OCNC1CC1C 38b8c6608624ad66c4a3da0394792ef7 [0,1,0,1,0,0|1,0,0]=3 10207 B12R1.1505 CCOC(=O)OCN[C@@H]1C[C@H]1F 39f6e8c830b8efed8e963dfee1af1a27 [0,1,0,1,0,0|2,0,0]=4 10208 B12R1.1505 CCOC(=O)OCN[C@H]1C[C@@H]1F 91d88e538f26b628d05828aa555975d6 [0,1,0,1,0,0|2,0,0]=4 10209 B12R1.1505 CCOC(=O)OCN[C@H]1C[C@H]1F 3c15d2b851bf62eb4307732d96b1e805 [0,1,0,1,0,0|2,0,0]=4 10210 B12R1.1505 CCSC(=O)OCNC1CC1C 626fc4a4363b6de6a61676b884732cc7 [0,1,0,1,0,0|1,0,0]=3 10211 B12R1.1505 CCSC(=O)OCN[C@@H]1C[C@H]1F 514736db515037679dc1b996344721b6 [0,1,0,1,0,0|2,0,0]=4 10212 B12R1.1505 CCSC(=O)OCN[C@H]1C[C@@H]1F d10bf47d5308043505fa101208ac45c7 [0,1,0,1,0,0|2,0,0]=4 10213 B12R1.1505 CCSC(=O)OCN[C@H]1C[C@H]1F fb45a4be6b0b3d989b260fd59db9e64b [0,1,0,1,0,0|2,0,0]=4 10214 B12R1.1505 COCC(=O)COCC1CC1C bfdea1262b84d5426a3338d5ad947244 [0,1,0,1,0,0|1,0,0]=3 10215 B12R1.1505 COCC(=O)COC[C@@H]1C[C@@H]1C 6d38e081dabf0909bf1374374f9e034f [0,1,0,1,0,0|1,0,0]=3 10216 B12R1.1505 COCC(=O)COC[C@@H]1C[C@@H]1F c6187527042a12cda06a7b6497e12ee0 [0,1,0,1,0,0|2,0,0]=4 10217 B12R1.1505 COCC(=O)COC[C@@H]1C[C@H]1C 964dcc175a6c0c6b78f007ea30648c84 [0,1,0,1,0,0|1,0,0]=3 10218 B12R1.1505 COCC(=O)COC[C@@H]1C[C@H]1F a9b2ffc954cca9e6fa55423d87e0ac0f [0,1,0,1,0,0|2,0,0]=4 10219 B12R1.1505 COCC(=O)COC[C@H]1C[C@@H]1C cabb258a2e4493a95dde3074b38f88df [0,1,0,1,0,0|1,0,0]=3 10220 B12R1.1505 COCC(=O)COC[C@H]1C[C@@H]1F 99ab101c5973f8782346f6af05f2907b [0,1,0,1,0,0|2,0,0]=4 10221 B12R1.1505 COCC(=O)COC[C@H]1C[C@H]1F 174391fa8f0cf64bcb3ac975cf8aa717 [0,1,0,1,0,0|2,0,0]=4 10222 B12R1.1564 CCCC(=O)N1CCCCCC1 c25794177b8e15af54f79094fb5eac9e [0,1,0,1,0,0|1,0,0]=3 10223 B12R1.1564 CCCC(=O)N1CCCOCC1 66461f91becce906ea921a3c4df23de2 [0,1,0,1,0,0|1,0,0]=3 10224 B12R1.1564 COCC(=O)N1CCCCCC1 dfb00865ff4a1fc706e130ab86e8f6a4 [0,1,0,1,0,0|2,0,0]=4 10225 B12R1.1564 COCC(=O)N1CCCOCC1 dd21c80cfe2a869d740e3003b3127705 [0,1,0,1,0,0|2,0,0]=4 10226 B12R1.1564 CSCC(=O)N1CCCCCC1 d023aa99d82b342fd71c894f74c6f2ca [0,1,0,1,0,0|2,0,0]=4 10227 B12R1.1564 CSCC(=O)N1CCCOCC1 0e82d3035eaf04ea29758a02e0bc2cf8 [0,1,0,1,0,0|2,0,0]=4 10228 B12R1.1564 O=C(CCF)N1CCCCCC1 cb76c8a380ee604382f54b0ed8886c2e [0,1,0,1,0,0|2,0,0]=4 10229 B12R1.1564 O=C(CCF)N1CCCOCC1 42745ccb286a51b3c53b3913efd3c982 [0,1,0,1,0,0|2,0,0]=4 10230 B12R1.1564 O=C(CCO)N1CCCCCC1 4c754653de52cca260433e1838e42358 [0,1,0,1,0,0|2,0,0]=4 10231 B12R1.1564 O=C(CCO)N1CCCOCC1 8e88b84f92d4cb50a9dba2a5fca443c9 [0,1,0,1,0,0|2,0,0]=4 10232 B12R1.1564 O=C(CCS)N1CCCCCC1 b6fce1d6974e3d722d716b0d59cfdb5c [0,1,0,1,0,0|2,0,0]=4 10233 B12R1.1564 O=C(CCS)N1CCCOCC1 ad7a977cc0f61b7309222435119c14c6 [0,1,0,1,0,0|2,0,0]=4 10234 B12R1.1996 CCCCCOCC1(CCC1)C 3c66431cf585e5417bd001a561278e15 [0,1,0,1,0,0|1,0,1]=4 10235 B12R1.1996 CCCCCOCC1(CCC1)F d18e3d703858641d3f3563066ede40c7 [0,1,0,1,0,0|1,0,1]=4 10236 B12R1.31 CC1CCC(C1)NC(=O)CCF 9b5317fb513c52861a33865d93f511b6 [0,1,0,1,0,0|2,0,0]=4 10237 B12R1.31 CCCC(=O)CN1CCC(C1)C ef5c1621be171b9f655faf7bf0a8cf26 [0,1,0,1,0,0|2,0,0]=4 10238 B12R1.31 CCCC(=O)CN1CCC(C1)F a85b57091022f175c8598ae111ff1eeb [0,1,0,1,0,0|2,0,0]=4 10239 B12R1.31 CCCC(=O)CN1CCC(C1)O 0680d8eb1d02aeb3676cdcbd3735eb90 [0,1,0,1,0,0|2,0,0]=4 10240 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 04faaed433ab3ce06658f2fb3db274db [0,1,0,1,0,0|2,0,0]=4 10241 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)O 4822ece2fe3e1d1376c0bbf2489c525a [0,1,0,1,0,0|2,0,0]=4 10242 B12R1.31 CCCC(=O)CN1CC[C@H](C1)F 7b227149de51315b4a983e0b8a1e6c14 [0,1,0,1,0,0|2,0,0]=4 10243 B12R1.31 CCCC(=O)CN1CC[C@H](C1)O 0851209af277feb8e153ec07721a867f [0,1,0,1,0,0|2,0,0]=4 10244 B12R1.31 CCCC(=O)NC1CCC(C1)O fb0614719f38074bca513561a0aed976 [0,1,0,1,0,0|1,0,0]=3 10245 B12R1.31 CCCC(=O)NC1CCN(C1)C 09ddf9278221d0c700280a4810f48fb3 [0,1,0,1,0,0|2,0,0]=4 10246 B12R1.31 CCCC(=O)N[C@@H]1CCN(C1)C 1baaca8fa67f8378a23ea1c902046fba [0,1,0,1,0,0|2,0,0]=4 10247 B12R1.31 CCCC(=O)N[C@@H]1CC[C@@H](C1)O 5e9f7c138388e1b473c14caac0cdbc54 [0,1,0,1,0,0|1,0,0]=3 10248 B12R1.31 CCCC(=O)N[C@@H]1CC[C@H](C1)O 474d6c6a977a902f14e6f7f80a8e132b [0,1,0,1,0,0|1,0,0]=3 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[0,1,0,1,0,0|2,0,0]=4 10260 B12R1.31 COCC(=O)N[C@@H]1CC[C@@H](C1)O e5c2b336b6b4c5c6e367631d82a436f2 [0,1,0,1,0,0|2,0,0]=4 10261 B12R1.31 COCC(=O)N[C@@H]1CC[C@H](C1)O 107f16eb88d59483707fa79c929bb90b [0,1,0,1,0,0|2,0,0]=4 10262 B12R1.31 COCC(=O)N[C@H]1CC[C@@H](C1)O ffe45b1f16b0779ec9e0891545a546bf [0,1,0,1,0,0|2,0,0]=4 10263 B12R1.31 COCC(=O)N[C@H]1CC[C@H](C1)O 521ff70fb44cb73847b7dbbda73b3cd1 [0,1,0,1,0,0|2,0,0]=4 10264 B12R1.31 CSCC(=O)NC1CCC(C1)O 03dd26f51ed95d68c1d9fffd21f5bb87 [0,1,0,1,0,0|2,0,0]=4 10265 B12R1.31 CSCC(=O)N[C@@H]1CC[C@@H](C1)O f9201c27b52891cfb0dd19de715011fa [0,1,0,1,0,0|2,0,0]=4 10266 B12R1.31 CSCC(=O)N[C@@H]1CC[C@H](C1)O 7d74f4b8d88286dcdf2747ab4dfdcc5a [0,1,0,1,0,0|2,0,0]=4 10267 B12R1.31 CSCC(=O)N[C@H]1CC[C@@H](C1)O c7b48ba8d0be8f92b771b1225d9ae82a [0,1,0,1,0,0|2,0,0]=4 10268 B12R1.31 CSCC(=O)N[C@H]1CC[C@H](C1)O c8ea38ccb7ae59e820f4fc95ce8e49f6 [0,1,0,1,0,0|2,0,0]=4 10269 B12R1.31 O=C(CCF)NC1CCC(C1)O 45c3d38fad8d873af420ce7a03ba970b [0,1,0,1,0,0|2,0,0]=4 10270 B12R1.31 O=C(CCF)N[C@@H]1CC[C@@H](C1)O 1f7752f3b40792c370690e07eb882cb2 [0,1,0,1,0,0|2,0,0]=4 10271 B12R1.31 O=C(CCF)N[C@@H]1CC[C@H](C1)O 6c3771fc441053145ce91a1d275a4061 [0,1,0,1,0,0|2,0,0]=4 10272 B12R1.31 O=C(CCF)N[C@H]1CC[C@@H](C1)O 5bffce7737dc35c596717c5acdd9b4e2 [0,1,0,1,0,0|2,0,0]=4 10273 B12R1.31 O=C(CCF)N[C@H]1CC[C@H](C1)O 454ddd308914fcc464436cdf25f8fbd8 [0,1,0,1,0,0|2,0,0]=4 10274 B12R1.31 O=C(CCO)NC1CCC(C1)O 56d168dc43d5e16dceb8cda14bfe45a0 [0,1,0,1,0,0|2,0,0]=4 10275 B12R1.31 O=C(CCO)N[C@@H]1CC[C@@H](C1)O 87e7716261486b5b413698867006d81c [0,1,0,1,0,0|2,0,0]=4 10276 B12R1.31 O=C(CCO)N[C@@H]1CC[C@H](C1)O 8234f33ac5674a50f7299119d65f2081 [0,1,0,1,0,0|2,0,0]=4 10277 B12R1.31 O=C(CCO)N[C@H]1CC[C@@H](C1)O 04b60f99ce86d59852f2ad9aa8e31cf1 [0,1,0,1,0,0|2,0,0]=4 10278 B12R1.31 O=C(CCO)N[C@H]1CC[C@H](C1)O e7504332c18bb5351a125c5636a21e43 [0,1,0,1,0,0|2,0,0]=4 10279 B12R1.31 O=C(CCS)NC1CCC(C1)O d48bc1bd531366bec8a9660da942b585 [0,1,0,1,0,0|2,0,0]=4 10280 B12R1.31 O=C(CCS)N[C@@H]1CC[C@@H](C1)O 00ac0b1427ea1fefeb3fe81b4d2b13b1 [0,1,0,1,0,0|2,0,0]=4 10281 B12R1.31 O=C(CCS)N[C@@H]1CC[C@H](C1)O a15ccfa1ccc88c8c65f81306d35720bb [0,1,0,1,0,0|2,0,0]=4 10282 B12R1.31 O=C(CCS)N[C@H]1CC[C@@H](C1)O 2cb2ae755ca232df0154ee2a7c74e96f [0,1,0,1,0,0|2,0,0]=4 10283 B12R1.31 O=C(CCS)N[C@H]1CC[C@H](C1)O f5ccb18e163531a6b72ff5121a3c1ce3 [0,1,0,1,0,0|2,0,0]=4 10284 B12R1.53 C#CCCC(=O)NC1CCCC1 55bf16eda9a8e0fbba2c4286a0bfcb78 [0,1,0,1,0,0|1,0,1]=4 10285 B12R1.53 C/C=C/CC(=O)NC1CCCC1 fe3421f3df723cd1166e6812ada4483f [0,1,0,1,0,0|1,0,1]=4 10286 B12R1.53 C=CCCC(=O)NC1CCCC1 290f1015f72e8ce9933a2fd43067af5c [0,1,0,1,0,0|1,0,1]=4 10287 B12R1.53 CC#CCC(=O)NC1CCCC1 45067f4a95ff3f2b5703d61a13b726df [0,1,0,1,0,0|1,0,1]=4 10288 B12R1.53 CC/C=C/C(=O)NC1CCCC1 393284ab45f2e29df9e94568e31c02a5 [0,1,0,1,0,0|1,0,1]=4 10289 B12R1.53 CC/C=C\C(=O)NC1CCCC1 f65ac714b5af12ce3fcb0a3ab2c8f0fd [0,1,0,1,0,0|1,0,1]=4 10290 B12R1.53 CCC#CC(=O)NC1CCCC1 b0701aa1bbe6e67138607f4cc49729c5 [0,1,0,1,0,0|1,0,1]=4 10291 B12R1.53 CCC=CC(=O)NC1CCCC1 cf24c8fe0ebe3fcdfcca6304842e550d [0,1,0,1,0,0|1,0,1]=4 10292 B12R1.53 CCCCC(=O)NC1CCCC1 ffe0944aa7dffceb8b72efd3831dfd91 [0,1,0,1,0,0|1,0,0]=3 10293 B12R1.53 CCCCC(=O)NC1CCOC1 1e674d26de54780cb9628df6d4fb4e31 [0,1,0,1,0,0|2,0,0]=4 10294 B12R1.53 CCCCC(=O)NC1CCSC1 8d2892d72c79b4f9d447384de9033c10 [0,1,0,1,0,0|2,0,0]=4 10295 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 8c781642c4110288eee66bf3ddb78c79 [0,1,0,1,0,0|2,0,0]=4 10296 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 aba5d341347845e888fc9699ad516b66 [0,1,0,1,0,0|2,0,0]=4 10297 B12R1.53 CCCCC(C)OC1CCCC1 b7b2b5893f027f6519bdbab30305014d [0,1,0,1,0,0|1,0,1]=4 10298 B12R1.53 CCCCC(C)OC1CCCO1 9a25514ae7c4457c65ea127ac3e9c16d [0,1,0,1,0,0|0,0,2]=4 10299 B12R1.53 CCCC[C@@H](C)OC1CCCC1 35a8b240bb2585feb952a31ef4f087d5 [0,1,0,1,0,0|1,0,1]=4 10300 B12R1.53 CCCC[C@H](C)OC1CCCC1 750dea1bcd34e3cd41b1897004584d63 [0,1,0,1,0,0|1,0,1]=4 10301 B12R1.53 CCCNC(=O)CC1CCCC1 e2db722e161f5a6705dabff4a3660970 [0,1,0,1,0,0|1,0,0]=3 10302 B12R1.53 CCCNC(=O)CC1CCCO1 3ce660ea97277a712a32cfa9245739b7 [0,1,0,1,0,0|2,0,0]=4 10303 B12R1.53 CCCNC(=O)CC1CCOC1 73e22aa3e36aebb1981c82dbcd0401b5 [0,1,0,1,0,0|2,0,0]=4 10304 B12R1.53 CCCNC(=O)CN1CCCC1 0fc3e48f70324a5110c0e2a6b1fccd34 [0,1,0,1,0,0|2,0,0]=4 10305 B12R1.53 CCCNC(=O)C[C@@H]1CCOC1 0d0cee8990f2d6c42b75b80b0c0594e9 [0,1,0,1,0,0|2,0,0]=4 10306 B12R1.53 CCCNC(=O)C[C@H]1CCOC1 e79db39f5360816a3f02fc793591ec8a [0,1,0,1,0,0|2,0,0]=4 10307 B12R1.53 CCCNC(=O)NC1CCCC1 8f8b6c4035a44fe9f12be3eaa97cb298 [0,1,0,1,0,0|1,0,0]=3 10308 B12R1.53 CCCNC(=O)NC1CCOC1 39da7dc88e7c82d9c32145638305858e [0,1,0,1,0,0|2,0,0]=4 10309 B12R1.53 CCCNC(=O)NC1CCSC1 c9bb03b2c0a08f636ac12d7a6c1a87fc [0,1,0,1,0,0|2,0,0]=4 10310 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 febbb4df7741d58f0b361734145d83db [0,1,0,1,0,0|2,0,0]=4 10311 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 77f27d46a455a93f646db59e4fcdd063 [0,1,0,1,0,0|2,0,0]=4 10312 B12R1.53 CCCNC(=S)NC1CCCC1 71e85e95c8a896b5eec6224640ee3c45 [0,1,0,1,0,0|1,1,0]=4 10313 B12R1.53 CCNCC(=O)NC1CCCC1 c7e7ee4b637d9ceebaec014347604d32 [0,1,0,1,0,0|1,0,0]=3 10314 B12R1.53 CCNCC(=O)OC1CCCC1 51ab5c2281a6d5777297a8ad97e1e293 [0,1,0,1,0,0|0,0,0]=2 10315 B12R1.53 CCOCC(=O)NC1CCCC1 913ee9b2e481626823742d824933108a [0,1,0,1,0,0|1,0,0]=3 10316 B12R1.53 CCOCC(=O)NC1CCOC1 a65f2d67e484a85b2171f956dcda1690 [0,1,0,1,0,0|2,0,0]=4 10317 B12R1.53 CCOCC(=O)NC1CCSC1 25aec7618a916f33c82cf09c18fb6560 [0,1,0,1,0,0|2,0,0]=4 10318 B12R1.53 CCOCC(=O)N[C@@H]1CCOC1 b3905e881504a3c1982b11baaef160c5 [0,1,0,1,0,0|2,0,0]=4 10319 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 8567f0f30fa7d9aa65ee5c54d2ae4ef0 [0,1,0,1,0,0|2,0,0]=4 10320 B12R1.53 CCOCC(C)OC1CCCC1 f909e4d36391321039e8c58f79232cdb [0,1,0,1,0,0|1,0,1]=4 10321 B12R1.53 CCSCC(=O)NC1CCCC1 a5e8aaf50f13e61d824c4551fe2f52f4 [0,1,0,1,0,0|1,0,0]=3 10322 B12R1.53 CCSCC(=O)NC1CCOC1 38a8ca6d6de946a51c8c7f6f140f5025 [0,1,0,1,0,0|2,0,0]=4 10323 B12R1.53 CCSCC(=O)NC1CCSC1 12f3102a8c85cec1eecd9a1d0684cd33 [0,1,0,1,0,0|2,0,0]=4 10324 B12R1.53 CCSCC(=O)N[C@@H]1CCOC1 e1e5327b73a8f8de303d1e461582cc4f [0,1,0,1,0,0|2,0,0]=4 10325 B12R1.53 CCSCC(=O)N[C@H]1CCOC1 261392f8369dae183f68595f4bb95fc8 [0,1,0,1,0,0|2,0,0]=4 10326 B12R1.53 COCCC(=O)NC1CCCC1 0335f0bedde6a8c40f7e26561a2c664c [0,1,0,1,0,0|1,0,0]=3 10327 B12R1.53 COCCC(=O)NC1CCOC1 f0cd04371f89cc16f188cac975dd9b22 [0,1,0,1,0,0|2,0,0]=4 10328 B12R1.53 COCCC(=O)NC1CCSC1 6eb0e6666d5aab05a99c0e3a7fddb969 [0,1,0,1,0,0|2,0,0]=4 10329 B12R1.53 COCCC(=O)N[C@@H]1CCOC1 8a0837ea822992d9fe49b1f5ccae2648 [0,1,0,1,0,0|2,0,0]=4 10330 B12R1.53 COCCC(=O)N[C@H]1CCOC1 63db60f03a7ac6794af2810fc468f4b1 [0,1,0,1,0,0|2,0,0]=4 10331 B12R1.53 COCCC(C)OC1CCCC1 7bb3166f99093fecdc08c5b657dd2cb2 [0,1,0,1,0,0|1,0,1]=4 10332 B12R1.53 CSCCC(=O)NC1CCCC1 f1242f45ed51f12d20fe65676e5715ec [0,1,0,1,0,0|1,0,0]=3 10333 B12R1.53 CSCCC(=O)NC1CCOC1 b2ddd11701ce5242282c3aabf17285dd [0,1,0,1,0,0|2,0,0]=4 10334 B12R1.53 CSCCC(=O)NC1CCSC1 7f382f45c24dbc10ea87ab447c789eca [0,1,0,1,0,0|2,0,0]=4 10335 B12R1.53 CSCCC(=O)N[C@@H]1CCOC1 18f0cb2aa1c39379208e2d2cceb446c6 [0,1,0,1,0,0|2,0,0]=4 10336 B12R1.53 CSCCC(=O)N[C@H]1CCOC1 9815b99df10282b43ae407630683a7a5 [0,1,0,1,0,0|2,0,0]=4 10337 B12R1.53 CSSCC(=O)NC1CCCC1 30f62d8c0277564c3abba352e0507dda [0,1,0,1,0,0|2,0,0]=4 10338 B12R1.53 N#CCCC(=O)NC1CCCC1 e1333ec72a1e5b3f51b47a6769907842 [0,1,0,1,0,0|1,0,1]=4 10339 B12R1.53 NCCNC(=O)NC1CCCC1 92cbd451f7109cfccb1162dff74b787a [0,1,0,1,0,0|2,0,0]=4 10340 B12R1.53 O=C(CC1CCCC1)NCCBr ccb1db97a0f14f3a1b44fbf161c34e51 [0,1,0,1,0,0|2,0,0]=4 10341 B12R1.53 O=C(CC1CCCC1)NCCF f6304bd17f396a263286c8554a300144 [0,1,0,1,0,0|2,0,0]=4 10342 B12R1.53 O=C(CC1CCCC1)NCCI fa5b02dc92d74ebfcfd35916dfdc9661 [0,1,0,1,0,0|2,0,0]=4 10343 B12R1.53 O=C(CC1CCCC1)NCCO 45fd9144278c987c73d7d55e50839566 [0,1,0,1,0,0|2,0,0]=4 10344 B12R1.53 O=C(CC1CCCC1)NCCS ba1fb195e80d072920053e52922ed663 [0,1,0,1,0,0|2,0,0]=4 10345 B12R1.53 O=C(CCCF)NC1CCCC1 651b9c06994a670449b6094450396130 [0,1,0,1,0,0|1,0,0]=3 10346 B12R1.53 O=C(CCCF)NC1CCOC1 e4bd7ad7bf23bde499cb20422a3a065d [0,1,0,1,0,0|2,0,0]=4 10347 B12R1.53 O=C(CCCF)NC1CCSC1 25bfda816876212e448b3974c8c3639c [0,1,0,1,0,0|2,0,0]=4 10348 B12R1.53 O=C(CCCF)N[C@@H]1CCOC1 5b641de49e1334843604251bc62bb9d7 [0,1,0,1,0,0|2,0,0]=4 10349 B12R1.53 O=C(CCCF)N[C@H]1CCOC1 ddce3151dde78e99c63cf1dd720a585b [0,1,0,1,0,0|2,0,0]=4 10350 B12R1.53 O=C(CCCS)NC1CCCC1 653565880c416b77feffcd134d259a60 [0,1,0,1,0,0|1,0,0]=3 10351 B12R1.53 O=C(CCCS)NC1CCOC1 24f05cfb05a7752c81c3d70758037cd9 [0,1,0,1,0,0|2,0,0]=4 10352 B12R1.53 O=C(CCCS)NC1CCSC1 e4a2a52121f970ef70d70d1566f01edf [0,1,0,1,0,0|2,0,0]=4 10353 B12R1.53 O=C(CCCS)N[C@@H]1CCOC1 8db5c8d1c3128894d3550ca23e689108 [0,1,0,1,0,0|2,0,0]=4 10354 B12R1.53 O=C(CCCS)N[C@H]1CCOC1 19ef052bb45342470c9c9ce17f295e48 [0,1,0,1,0,0|2,0,0]=4 10355 B12R1.53 O=C(CNCF)NC1CCCC1 5d24c9d5d5cd6feaef43f810c24a7b69 [0,1,0,1,0,0|2,0,0]=4 10356 B12R1.53 O=C(CNCF)OC1CCCC1 2e4074d0a4c9bb8369a9dacc4b4cc0db [0,1,0,1,0,0|1,0,0]=3 10357 B12R1.53 O=C(CNCO)NC1CCCC1 269f7906c5083e7058194fd0927982b8 [0,1,0,1,0,0|2,0,0]=4 10358 B12R1.53 O=C(CNCO)OC1CCCC1 2daff14eb0503ddef90b4a00a05a3263 [0,1,0,1,0,0|1,0,0]=3 10359 B12R1.53 O=C(NCCF)NC1CCCC1 8bbba981c983f56eb913ed94109e578d [0,1,0,1,0,0|2,0,0]=4 10360 B12R1.53 O=C(NCCO)NC1CCCC1 4041b34c585e24b7b451fefc9458f91c [0,1,0,1,0,0|2,0,0]=4 10361 B12R1.53 O=C(NCCS)NC1CCCC1 36eb4d593a7eb4be4e597b42de52c5b5 [0,1,0,1,0,0|2,0,0]=4 10362 B12R1.53 O=CCCC(=O)NC1CCCC1 e11465194743e27c0d14c03a0e0d46e5 [0,1,0,1,0,0|1,0,1]=4 10363 B12R1.53 O=CNCC(=O)OC1CCCC1 d345f127bbe590d3bd4e15ffab619d86 [0,1,0,1,0,0|1,0,1]=4 10364 B12R1.321 CCCCN1CCCNC(=O)C1 74edd50be96c8d10b1a9ab85b7ecdb76 [0,1,0,1,0,0|2,0,0]=4 10365 B12R1.321 CCCOC1CCCNC(=O)C1 613b246a29a98fa233a4b20d966fc3f9 [0,1,0,1,0,0|2,0,0]=4 10366 B12R1.321 CCOCC1CCCCC(=O)N1 837f1b31b3c4f97e4560e55cd1cb9fa1 [0,1,0,1,0,0|2,0,0]=4 10367 B12R1.460 C#CCCC(=O)N1CCCC1C 6100f5317d0a932d71e6926686284b76 [0,1,0,1,0,0|1,0,1]=4 10368 B12R1.460 C#CCCC(=O)N1CCC[C@@H]1C e24424ea80713a7a0026b4137e7cea44 [0,1,0,1,0,0|1,0,1]=4 10369 B12R1.460 C#CCCC(=O)N1CCC[C@H]1C daec178a3fe0961300ac81aca01b9e6e [0,1,0,1,0,0|1,0,1]=4 10370 B12R1.460 C/C=C/CC(=O)N1CCCC1C 80ffc6e62c28ad13411817d03221b248 [0,1,0,1,0,0|1,0,1]=4 10371 B12R1.460 C/C=C/CC(=O)N1CCC[C@@H]1C c2513d13fffa9314e1f7d9503468e629 [0,1,0,1,0,0|1,0,1]=4 10372 B12R1.460 C/C=C/CC(=O)N1CCC[C@H]1C 996e156d48a983777597a884ebd06db3 [0,1,0,1,0,0|1,0,1]=4 10373 B12R1.460 C=CCCC(=O)N1CCCC1C b0116f7e1d34b7fa024865a709328125 [0,1,0,1,0,0|1,0,1]=4 10374 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 4f6aa9e2e0553e37558a8ff2fddeaad4 [0,1,0,1,0,0|1,0,1]=4 10375 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 262a3126673c16af38496ad4c16d727a [0,1,0,1,0,0|1,0,1]=4 10376 B12R1.460 CC#CCC(=O)N1CCCC1C 28dd480a0b83079ebddd97083eb4942e [0,1,0,1,0,0|1,0,1]=4 10377 B12R1.460 CC#CCC(=O)N1CCC[C@@H]1C 4019151736a5e211e3b089c39b191e1a [0,1,0,1,0,0|1,0,1]=4 10378 B12R1.460 CC#CCC(=O)N1CCC[C@H]1C e5a4859f77152b821b60d922b8a286f6 [0,1,0,1,0,0|1,0,1]=4 10379 B12R1.460 CC/C=C/C(=O)N1CCCC1C e81646c1f1a56013df6bf04031b42854 [0,1,0,1,0,0|1,0,1]=4 10380 B12R1.460 CC/C=C/C(=O)N1CCC[C@@H]1C 6d626cadebb4d7fc273a8a170c4749fc [0,1,0,1,0,0|1,0,1]=4 10381 B12R1.460 CC/C=C/C(=O)N1CCC[C@H]1C d35c103b5406240ce606880a7fdf9932 [0,1,0,1,0,0|1,0,1]=4 10382 B12R1.460 CC/C=C\C(=O)N1CCCC1C 901d2f4196b3ffebaa05d02e9660c60e [0,1,0,1,0,0|1,0,1]=4 10383 B12R1.460 CC/C=C\C(=O)N1CCC[C@@H]1C 4a99dfae052a3aaa73d5620c7505137b [0,1,0,1,0,0|1,0,1]=4 10384 B12R1.460 CC/C=C\C(=O)N1CCC[C@H]1C 7ba6a6697bb64c1de0689192454f19a5 [0,1,0,1,0,0|1,0,1]=4 10385 B12R1.460 CC1CCCN1C(=O)CCC#N 2acc1a388aca8156b4d35ba7f37a20aa [0,1,0,1,0,0|1,0,1]=4 10386 B12R1.460 CC1CCCN1C(=O)CCC=O 6d28c9ee41bdea89e0752dbc0da758e2 [0,1,0,1,0,0|1,0,1]=4 10387 B12R1.460 CC1CCCN1C(=O)CCCF ab6185dbce78370c134fcf8989278135 [0,1,0,1,0,0|1,0,0]=3 10388 B12R1.460 CC1CCCN1C(=O)CCCS 216d8bf6b539f6f8ecfb9fd3a6c60345 [0,1,0,1,0,0|1,0,0]=3 10389 B12R1.460 CC1CCCN1C(=O)CNCF 58c9a627bbfa2b71904c2f41b6571227 [0,1,0,1,0,0|2,0,0]=4 10390 B12R1.460 CC1CCCN1C(=O)CNCO 034452823cff1d95b231984fad4a1fa8 [0,1,0,1,0,0|2,0,0]=4 10391 B12R1.460 CC1CCCN1C(=O)NCCF bd3d9ef974a0d6ffea256f073269c68e [0,1,0,1,0,0|2,0,0]=4 10392 B12R1.460 CC1CCCN1C(=O)NCCN 41b294aba64fc2f66ed67f2c6442d916 [0,1,0,1,0,0|2,0,0]=4 10393 B12R1.460 CC1CCCN1C(=O)NCCO 53a3e18e559ca68ce98e2c6ec1230d15 [0,1,0,1,0,0|2,0,0]=4 10394 B12R1.460 CC1CCCN1C(=O)NCCS 3634bab29571b1583e80e9bf6cbfa328 [0,1,0,1,0,0|2,0,0]=4 10395 B12R1.460 CC1SCCN1C(=O)CCCF 3cf30c8bb9a36dc431d21bf3ed6c6563 [0,1,0,1,0,0|2,0,0]=4 10396 B12R1.460 CC1SCCN1C(=O)CCCS ed8ef9f8f827e56c740b1d51ee269713 [0,1,0,1,0,0|2,0,0]=4 10397 B12R1.460 CCC#CC(=O)N1CCCC1C 4b45e5c5a6637bd2e18a64e0d58bc033 [0,1,0,1,0,0|1,0,1]=4 10398 B12R1.460 CCC#CC(=O)N1CCC[C@@H]1C 00cd931d1f6e11e54468b8448a21d874 [0,1,0,1,0,0|1,0,1]=4 10399 B12R1.460 CCC#CC(=O)N1CCC[C@H]1C ecb1c62954b7561c0c0869cc02ae7878 [0,1,0,1,0,0|1,0,1]=4 10400 B12R1.460 CCC=CC(=O)N1CCCC1C 5291beeb801efac51f7768c85ef354b1 [0,1,0,1,0,0|1,0,1]=4 10401 B12R1.460 CCC=CC(=O)N1CCC[C@@H]1C 5da4e4af3913a5ec7c24fa3be9b69646 [0,1,0,1,0,0|1,0,1]=4 10402 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 72f867dd1dacb31afd050aa389f06152 [0,1,0,1,0,0|1,0,1]=4 10403 B12R1.460 CCCCC(=O)N1CCCC1C 0e685beda1e3f942c1d396019f13eace [0,1,0,1,0,0|1,0,0]=3 10404 B12R1.460 CCCCC(=O)N1CCCC1O 0519c6dc3e1f2cbaad46ba1a29f9881a [0,1,0,1,0,0|2,0,0]=4 10405 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C ff6830781dd2398e65d557bbf6a92b09 [0,1,0,1,0,0|1,0,0]=3 10406 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 7cd825f92b5fd2c2a80cf77f89d0bab0 [0,1,0,1,0,0|1,0,0]=3 10407 B12R1.460 CCCCC(=O)N1CCSC1C 1ae6f8361645ff8d730e43bba70e450c [0,1,0,1,0,0|2,0,0]=4 10408 B12R1.460 CCCNC(=O)C1CCCN1C e5eaa0f70eaab942c96834eae738e91b [0,1,0,1,0,0|2,0,0]=4 10409 B12R1.460 CCCNC(=O)N1CCCC1C 844df2919cece1d86154827cd7e43c96 [0,1,0,1,0,0|1,0,0]=3 10410 B12R1.460 CCCNC(=O)N1CCCC1O 18e47abb292009e38d60a5b97eac42b9 [0,1,0,1,0,0|2,0,0]=4 10411 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 630c34c023f854eada20222af90cc48c [0,1,0,1,0,0|1,0,0]=3 10412 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 0237f4914670e20b33420173e8ef224d [0,1,0,1,0,0|1,0,0]=3 10413 B12R1.460 CCCNC(=O)N1CCSC1C 13a4162847556cb39c512cc014bad15e [0,1,0,1,0,0|2,0,0]=4 10414 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C e12fae9457ba300a33db96f0cbd08a91 [0,1,0,1,0,0|2,0,0]=4 10415 B12R1.460 CCCNC(=O)[C@H]1CCCN1C c2e98d6feb989eca873cc8b21b29fc0d [0,1,0,1,0,0|2,0,0]=4 10416 B12R1.460 CCCNC(=S)N1CCCC1C 670d992885cda2874e900e9d44ba2274 [0,1,0,1,0,0|1,1,0]=4 10417 B12R1.460 CCCNC(=S)N1CCC[C@@H]1C a52bacd956360bd7aa3698c0629474f9 [0,1,0,1,0,0|1,1,0]=4 10418 B12R1.460 CCCNC(=S)N1CCC[C@H]1C a884c5cb913d574f0e84a7d4cb6ad11c [0,1,0,1,0,0|1,1,0]=4 10419 B12R1.460 CCNCC(=O)N1CCCC1C 1108bc4d6ea5005f0b939a6919d63e8c [0,1,0,1,0,0|1,0,0]=3 10420 B12R1.460 CCOCC(=O)N1CCCC1C 6575dedda585200bbc49b8e5d9ade6ad [0,1,0,1,0,0|1,0,0]=3 10421 B12R1.460 CCOCC(=O)N1CCCC1O d578dfdbd62827b73e853c0770b76a34 [0,1,0,1,0,0|2,0,0]=4 10422 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C cd3692267d7fb548028365e56d7d038b [0,1,0,1,0,0|1,0,0]=3 10423 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 57ba7a4a65b45fd9086748d440eea047 [0,1,0,1,0,0|1,0,0]=3 10424 B12R1.460 CCOCC(=O)N1CCSC1C b1974cd30182936ff7190c3ac9008a2f [0,1,0,1,0,0|2,0,0]=4 10425 B12R1.460 CCSCC(=O)N1CCCC1C 137a784b3549a4361929a5d4ce56dc5b [0,1,0,1,0,0|1,0,0]=3 10426 B12R1.460 CCSCC(=O)N1CCCC1O 1d4476837c058642b5066a33d1668007 [0,1,0,1,0,0|2,0,0]=4 10427 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C ed9ed244f0d776a4272fea6e092f329d [0,1,0,1,0,0|1,0,0]=3 10428 B12R1.460 CCSCC(=O)N1CCC[C@H]1C c835a31328341f7ef3ebca0e35084f15 [0,1,0,1,0,0|1,0,0]=3 10429 B12R1.460 CCSCC(=O)N1CCSC1C 45d4045ae252368d10487f9a06686acb [0,1,0,1,0,0|2,0,0]=4 10430 B12R1.460 COCCC(=O)N1CCCC1C 9fca8a8929e8d737f32521a1e12e7fa5 [0,1,0,1,0,0|1,0,0]=3 10431 B12R1.460 COCCC(=O)N1CCCC1O 84505a6aefcdd279e816e561d1f2d297 [0,1,0,1,0,0|2,0,0]=4 10432 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 18dc3b9f9854495e6f5a24f08362e7ca [0,1,0,1,0,0|1,0,0]=3 10433 B12R1.460 COCCC(=O)N1CCC[C@H]1C 77c2d2e07158215d855793764fe00eb5 [0,1,0,1,0,0|1,0,0]=3 10434 B12R1.460 COCCC(=O)N1CCSC1C 0e11eab2fbd155f5a1402f78cc64d323 [0,1,0,1,0,0|2,0,0]=4 10435 B12R1.460 CSCCC(=O)N1CCCC1C 8265eaf594237d46cc8268ee3b2ea656 [0,1,0,1,0,0|1,0,0]=3 10436 B12R1.460 CSCCC(=O)N1CCCC1O 483ec02986bc1d90508f7c3fd1275359 [0,1,0,1,0,0|2,0,0]=4 10437 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 6bd66ecefa54f19b6ccd57c8bb64c3c2 [0,1,0,1,0,0|1,0,0]=3 10438 B12R1.460 CSCCC(=O)N1CCC[C@H]1C d1dfad48503d4cabdd963f0a3f900972 [0,1,0,1,0,0|1,0,0]=3 10439 B12R1.460 CSCCC(=O)N1CCSC1C 02905e906e15b814b7c261ba3ba8b031 [0,1,0,1,0,0|2,0,0]=4 10440 B12R1.460 CSSCC(=O)N1CCCC1C e50c6669853e0bf700814d96caa9d2c1 [0,1,0,1,0,0|2,0,0]=4 10441 B12R1.460 CSSCC(=O)N1CCC[C@@H]1C 10834d834fd5a16dc8f97b6bb9690fb3 [0,1,0,1,0,0|2,0,0]=4 10442 B12R1.460 CSSCC(=O)N1CCC[C@H]1C 75715fc4e6c4cfd9df3ea029237bae4d [0,1,0,1,0,0|2,0,0]=4 10443 B12R1.460 C[C@@H]1CCCN1C(=O)CCC#N 2313596d7d11e02804fcdf3d8ef46c4a [0,1,0,1,0,0|1,0,1]=4 10444 B12R1.460 C[C@@H]1CCCN1C(=O)CCC=O a746271a6e645e8289d34051b141e7f4 [0,1,0,1,0,0|1,0,1]=4 10445 B12R1.460 C[C@@H]1CCCN1C(=O)CCCF 91cc078ed9b1c92a33990ecfccf53d8e [0,1,0,1,0,0|1,0,0]=3 10446 B12R1.460 C[C@@H]1CCCN1C(=O)CCCS b659ec4ae84bf20c9c4d23ab97a5c736 [0,1,0,1,0,0|1,0,0]=3 10447 B12R1.460 C[C@@H]1CCCN1C(=O)NCCF aac6afc031714d6caf6f69fd02eaee3c [0,1,0,1,0,0|2,0,0]=4 10448 B12R1.460 C[C@@H]1CCCN1C(=O)NCCN feeb00c3bdd139d3e430f728bba3b2be [0,1,0,1,0,0|2,0,0]=4 10449 B12R1.460 C[C@@H]1CCCN1C(=O)NCCO c0b3d16d8c7d94113348f0b2e78aae89 [0,1,0,1,0,0|2,0,0]=4 10450 B12R1.460 C[C@@H]1CCCN1C(=O)NCCS 92cd013e8ee9bce80cd5cf42e8d19cc6 [0,1,0,1,0,0|2,0,0]=4 10451 B12R1.460 C[C@H]1CCCN1C(=O)CCC#N 31a0edcd8daaaa543d1243d2c1e4f532 [0,1,0,1,0,0|1,0,1]=4 10452 B12R1.460 C[C@H]1CCCN1C(=O)CCC=O 3733ef52ede28900acdfeb055ab832b3 [0,1,0,1,0,0|1,0,1]=4 10453 B12R1.460 C[C@H]1CCCN1C(=O)CCCF 9082733a9f6516dc729a4e763b28f68b [0,1,0,1,0,0|1,0,0]=3 10454 B12R1.460 C[C@H]1CCCN1C(=O)CCCS 40fee837f16560c90e34f16bfcf67b14 [0,1,0,1,0,0|1,0,0]=3 10455 B12R1.460 C[C@H]1CCCN1C(=O)NCCF 0f099a5fe18119c28919639df9999c4e [0,1,0,1,0,0|2,0,0]=4 10456 B12R1.460 C[C@H]1CCCN1C(=O)NCCN 96fc3f599bb7de7e3bc73dc4f65bec8e [0,1,0,1,0,0|2,0,0]=4 10457 B12R1.460 C[C@H]1CCCN1C(=O)NCCO 47ff76f9e525d6a07eec70c7504ae53b [0,1,0,1,0,0|2,0,0]=4 10458 B12R1.460 C[C@H]1CCCN1C(=O)NCCS c7682df529e3fbcd0785a0ab045e9683 [0,1,0,1,0,0|2,0,0]=4 10459 B12R1.460 O=C(CCCF)N1CCCC1O 3956224b6ef8268ecb77d3070fa3c6ea [0,1,0,1,0,0|2,0,0]=4 10460 B12R1.460 O=C(CCCS)N1CCCC1O ff7b786546b57c38be12da3101c15e4b [0,1,0,1,0,0|2,0,0]=4 10461 B12R1.462 CCCCC(C)OC1CC(C1)C 1fe30c77d9bb407993d7eb0de1c29031 [0,1,0,1,0,0|1,0,1]=4 10462 B12R1.466 CCC1CC1CC(=O)NCCBr 30a7fe90817968442fdf68c709da5bdd [0,1,0,1,0,0|2,0,0]=4 10463 B12R1.466 CCC1CC1CC(=O)NCCF efa46cd94d49daa4680c19efb41fcdad [0,1,0,1,0,0|2,0,0]=4 10464 B12R1.466 CCC1CC1CC(=O)NCCI ed48647627fb17af287a7c4983e20ac3 [0,1,0,1,0,0|2,0,0]=4 10465 B12R1.466 CCC1CC1CC(=O)NCCO d301529b5ee446536437891766b7c357 [0,1,0,1,0,0|2,0,0]=4 10466 B12R1.466 CCC1CC1CC(=O)NCCS 563d65edc379de6d896fc40683bf4b6d [0,1,0,1,0,0|2,0,0]=4 10467 B12R1.466 CCCCC(=O)N[C@@H]1C[C@@H]1OC 6a0b1d0441195b066279d8848557052e [0,1,0,1,0,0|2,0,0]=4 10468 B12R1.466 CCCCC(=O)N[C@@H]1C[C@H]1CO cc2e481e9b57fe68ba950c477bf074f3 [0,1,0,1,0,0|2,0,0]=4 10469 B12R1.466 CCCCC(=O)N[C@H]1C[C@@H]1CO 5717f33d4130561bfbdcb408a7c15ea6 [0,1,0,1,0,0|2,0,0]=4 10470 B12R1.466 CCCCC(=O)N[C@H]1C[C@H]1CO b179cab7f7a3eef8404795dd65992bb2 [0,1,0,1,0,0|2,0,0]=4 10471 B12R1.466 CCCNC(=O)CC1CC1CC a79fe7cf3061965e7dfd07a8c3be8357 [0,1,0,1,0,0|1,0,0]=3 10472 B12R1.466 CCCNC(=O)N[C@@H]1C[C@@H]1OC cb259f9ede7ec45e416005ba3c6301bb [0,1,0,1,0,0|2,0,0]=4 10473 B12R1.466 CCCNC(=O)N[C@@H]1C[C@H]1CO 26c585a1d035d4497a9c19c1c4c4fac0 [0,1,0,1,0,0|2,0,0]=4 10474 B12R1.466 CCCNC(=O)N[C@H]1C[C@@H]1CO a67e067c1ef3d582c777292c44eb528d [0,1,0,1,0,0|2,0,0]=4 10475 B12R1.466 CCCNC(=O)N[C@H]1C[C@H]1CO 2e29de6ad2077c43fba1854460ef4c45 [0,1,0,1,0,0|2,0,0]=4 10476 B12R1.466 CCOCC(=O)N[C@@H]1C[C@@H]1OC a87543cdc36a46cde9e1dd72b9703acc [0,1,0,1,0,0|2,0,0]=4 10477 B12R1.466 CCOCC(=O)N[C@@H]1C[C@H]1CO 5e3e61c4c3e87eac89c5b4aa0f9e4035 [0,1,0,1,0,0|2,0,0]=4 10478 B12R1.466 CCOCC(=O)N[C@H]1C[C@@H]1CO 67359b6e86e6590da5b3f2def4b0a5d3 [0,1,0,1,0,0|2,0,0]=4 10479 B12R1.466 CCOCC(=O)N[C@H]1C[C@H]1CO d070c3f675101cc695556f75fdef3837 [0,1,0,1,0,0|2,0,0]=4 10480 B12R1.466 CCSCC(=O)N[C@@H]1C[C@@H]1OC e8bcb9b0d4fc99bb93357cdf3609d294 [0,1,0,1,0,0|2,0,0]=4 10481 B12R1.466 CCSCC(=O)N[C@@H]1C[C@H]1CO 9551747d344bebb214df8e21a9461fca [0,1,0,1,0,0|2,0,0]=4 10482 B12R1.466 CCSCC(=O)N[C@H]1C[C@@H]1CO 15ce7425ec46784cc5dae59f2fd99c17 [0,1,0,1,0,0|2,0,0]=4 10483 B12R1.466 CCSCC(=O)N[C@H]1C[C@H]1CO a8887935c134cf5712336f6da04d264f [0,1,0,1,0,0|2,0,0]=4 10484 B12R1.466 COCCC(=O)N[C@@H]1C[C@@H]1OC b0f8f079961b2fa07ced60ae8484f33d [0,1,0,1,0,0|2,0,0]=4 10485 B12R1.466 COCCC(=O)N[C@@H]1C[C@H]1CO 9fb5d75fc6a0e74368f9576ec89b5dea [0,1,0,1,0,0|2,0,0]=4 10486 B12R1.466 COCCC(=O)N[C@H]1C[C@@H]1CO c7c5693cc96c8df52affcaab92648c7f [0,1,0,1,0,0|2,0,0]=4 10487 B12R1.466 COCCC(=O)N[C@H]1C[C@H]1CO 4d3e985cd71fe12b6777aea1779d7fb9 [0,1,0,1,0,0|2,0,0]=4 10488 B12R1.466 CO[C@H]1C[C@H]1NC(=O)CCCF 21554a1ee29a2fce1e4c89bb8ba499dd [0,1,0,1,0,0|2,0,0]=4 10489 B12R1.466 CO[C@H]1C[C@H]1NC(=O)CCCS 097bd6d75c2b26c209af5a18e7a68a06 [0,1,0,1,0,0|2,0,0]=4 10490 B12R1.466 CO[C@H]1C[C@H]1NC(=O)CCSC 97f3ef8558b6f7702db60be7cc394774 [0,1,0,1,0,0|2,0,0]=4 10491 B12R1.466 CSCCC(=O)N[C@@H]1C[C@H]1CO 4d51300f67bb53a6714078e8ab8c37f1 [0,1,0,1,0,0|2,0,0]=4 10492 B12R1.466 CSCCC(=O)N[C@H]1C[C@@H]1CO 62fc17cfdf498b87d9b377ce3e6f4e4c [0,1,0,1,0,0|2,0,0]=4 10493 B12R1.466 CSCCC(=O)N[C@H]1C[C@H]1CO 68d4c8ab0826dab15505af316ef91975 [0,1,0,1,0,0|2,0,0]=4 10494 B12R1.466 O=C(CCCF)N[C@@H]1C[C@H]1CO 8933ec802173de4a2faaf60651ffa892 [0,1,0,1,0,0|2,0,0]=4 10495 B12R1.466 O=C(CCCF)N[C@H]1C[C@@H]1CO a8825ebf851073ac4b82a7173010cada [0,1,0,1,0,0|2,0,0]=4 10496 B12R1.466 O=C(CCCF)N[C@H]1C[C@H]1CO f72fe655cb96e9363d4a53d83a0934c3 [0,1,0,1,0,0|2,0,0]=4 10497 B12R1.466 O=C(CCCS)N[C@@H]1C[C@H]1CO e9f8bc1f8d806172cde5fc62c76dd02f [0,1,0,1,0,0|2,0,0]=4 10498 B12R1.466 O=C(CCCS)N[C@H]1C[C@@H]1CO 48f8c52d6f8036ed5ce3d174d175d20d [0,1,0,1,0,0|2,0,0]=4 10499 B12R1.466 O=C(CCCS)N[C@H]1C[C@H]1CO 5262a213602e38998895a2aefd6b8e91 [0,1,0,1,0,0|2,0,0]=4 10500 B12R1.519 CCCC(=O)CN(C)C1CCC1 078e82ae962798908bbd577f0546e12e [0,1,0,1,0,0|2,0,0]=4 10501 B12R1.519 CCCC(=O)NC(C)C1COC1 7b654739680502d51f539e0f860a57e8 [0,1,0,1,0,0|2,0,0]=4 10502 B12R1.519 CCCC(=O)N[C@@H](C)C1COC1 8e9d0e737694fcc69a682f8c8cccbd23 [0,1,0,1,0,0|2,0,0]=4 10503 B12R1.519 CCCC(=O)N[C@H](C)C1COC1 9ca077794ae090e3566628ff5f59b6b4 [0,1,0,1,0,0|2,0,0]=4 10504 B12R1.519 CCCC(C)OC(C)C1CCC1 0d7e4adda8355ba322895d18afaf24b4 [0,1,0,1,0,0|1,0,1]=4 10505 B12R1.519 CCCC(C)O[C@@H](C)C1CCC1 38b817b33763d60788c34c9890aee55f [0,1,0,1,0,0|1,0,1]=4 10506 B12R1.519 CCOC(=O)OC(C)N1CCC1 5f7e2ab35e42632ae34550e6fb197e49 [0,1,0,1,0,0|2,0,0]=4 10507 B12R1.521 CCCC(=O)CN(C)CC1CC1 9d56226af4dd2a2a22312a72e33d8084 [0,1,0,1,0,0|2,0,0]=4 10508 B12R1.521 CCCC(C)OC(C)CC1CC1 88b2a47de368d2a1c8a89f88dfac6d8a [0,1,0,1,0,0|1,0,1]=4 10509 B12R1.521 CCOC(=O)OC(C)OC1CC1 bad1486bd65fbc28274cf2b97abd807a [0,1,0,1,0,0|2,0,0]=4 10510 B12R1.841 CCCCC(C)OC(C)C1CC1 c6ade76444d098ca0882eaab263eed8d [0,1,0,1,0,0|1,0,1]=4 10511 B12R1.841 CCCCC(C)O[C@@H](C)C1CC1 2e3b4b47e0eedd2587cd97836b502eb4 [0,1,0,1,0,0|1,0,1]=4 10512 B12R1.841 CCCCC(C)O[C@H](C)C1CC1 4ad21f526e9ea0ebb1418a9ff92c9d91 [0,1,0,1,0,0|1,0,1]=4 10513 B12R1.841 CCCCN(C)CC(=O)C1CC1 fec66cf66e85925bb66e2443c438c24d [0,1,0,1,0,0|2,0,0]=4 10514 B12R1.841 CCCC[C@@H](C)OC(C)C1CC1 abfda54728bda626182a247515cc71ad [0,1,0,1,0,0|1,0,1]=4 10515 B12R1.841 CCCC[C@H](C)OC(C)C1CC1 be6eeca85c64ee2b29ea430bace0169d [0,1,0,1,0,0|1,0,1]=4 10516 B12R1.1095 CCCN1[C@@H](CC(=O)C[C@@H]1C)C 71c24f0975df1aa56844bf274e5adfec [0,1,0,1,0,0|2,0,0]=4 10517 B12R1.1589 CC1CCC(N1C(=O)CCF)C 5a81ab38d3c8157f9b2029b7c2b977e2 [0,1,0,1,0,0|2,0,0]=4 10518 B12R1.1589 CC1CCC(N1C(=O)CCO)C 8c0fa2095fcd6d1c56082dfb17c21d8a [0,1,0,1,0,0|2,0,0]=4 10519 B12R1.1589 CC1CCC(N1C(=O)CCS)C c927720c6b619430156223f262b6acff [0,1,0,1,0,0|2,0,0]=4 10520 B12R1.1589 CCCC(=O)N1C(CCC1C)C 8fe8b775584b88c16e87bf5f63fe9cbf [0,1,0,1,0,0|1,0,0]=3 10521 B12R1.1589 CCCC(=O)N1[C@@H](CC[C@@H]1C)C 30321826b8c5f1f1c44440df76040183 [0,1,0,1,0,0|1,0,0]=3 10522 B12R1.1589 CCCC(=O)N1[C@@H](CC[C@H]1C)C eb6c847bd911f5047a6fc9d888248bff [0,1,0,1,0,0|1,0,0]=3 10523 B12R1.1589 CCCC(=O)N1[C@H](CC[C@@H]1C)C 3863aef5740eb02908acefcb355ec4dc [0,1,0,1,0,0|1,0,0]=3 10524 B12R1.1589 COCC(=O)N1C(CCC1C)C 661fc68199ab19f53b519491d960c96f [0,1,0,1,0,0|2,0,0]=4 10525 B12R1.1589 COCC(=O)N1[C@@H](CC[C@@H]1C)C 5dac34836e54c3d4dacd5711c18b6bda [0,1,0,1,0,0|2,0,0]=4 10526 B12R1.1589 COCC(=O)N1[C@@H](CC[C@H]1C)C fc91677504d21b35044de64159853b05 [0,1,0,1,0,0|2,0,0]=4 10527 B12R1.1589 COCC(=O)N1[C@H](CC[C@@H]1C)C f13ac7299b077270e34c18d60aabcf42 [0,1,0,1,0,0|2,0,0]=4 10528 B12R1.1589 CSCC(=O)N1C(CCC1C)C 9a8caaf8d3bb5855aadb563c1e43b487 [0,1,0,1,0,0|2,0,0]=4 10529 B12R1.1589 CSCC(=O)N1[C@@H](CC[C@@H]1C)C 810c94dd44aa3e8eef7b637753e46a90 [0,1,0,1,0,0|2,0,0]=4 10530 B12R1.1589 CSCC(=O)N1[C@@H](CC[C@H]1C)C d6fdbf22e1701c95e790438b1ff5fe32 [0,1,0,1,0,0|2,0,0]=4 10531 B12R1.1589 CSCC(=O)N1[C@H](CC[C@@H]1C)C b61fe8e5d9d318a1d6b7f7d3b2158c4f [0,1,0,1,0,0|2,0,0]=4 10532 B12R1.1589 C[C@@H]1CC[C@@H](N1C(=O)CCF)C b89efdc92ad5d928f850c4571572f8ab [0,1,0,1,0,0|2,0,0]=4 10533 B12R1.1589 C[C@@H]1CC[C@@H](N1C(=O)CCO)C faf8a3417e13372a3cfdcb18f7f5cdf4 [0,1,0,1,0,0|2,0,0]=4 10534 B12R1.1589 C[C@@H]1CC[C@@H](N1C(=O)CCS)C 20eb4c05b1b98bfa8fa025dfd5700ff2 [0,1,0,1,0,0|2,0,0]=4 10535 B12R1.1589 C[C@@H]1CC[C@H](N1C(=O)CCF)C 4deecabc51b276c105cfee48fab014ba [0,1,0,1,0,0|2,0,0]=4 10536 B12R1.1589 C[C@@H]1CC[C@H](N1C(=O)CCO)C c7ed34e527a620424459d4163425f559 [0,1,0,1,0,0|2,0,0]=4 10537 B12R1.1589 C[C@@H]1CC[C@H](N1C(=O)CCS)C 562464a67ea2323ba980564ce3acf9ea [0,1,0,1,0,0|2,0,0]=4 10538 B12R1.1589 C[C@H]1CC[C@@H](N1C(=O)CCF)C 279c5a82d981e5343a7aa899d635e3c9 [0,1,0,1,0,0|2,0,0]=4 10539 B12R1.1589 C[C@H]1CC[C@@H](N1C(=O)CCO)C bf23feba83513bdf3b6570e4bde16d83 [0,1,0,1,0,0|2,0,0]=4 10540 B12R1.1589 C[C@H]1CC[C@@H](N1C(=O)CCS)C 89193d7a3d712ecbdd2a077f89d98587 [0,1,0,1,0,0|2,0,0]=4 10541 B12R1.1618 CC1(CCCC1)NC(=O)CCF 2f792bf2b3a13b590588d72574f9b232 [0,1,0,1,0,0|2,0,0]=4 10542 B12R1.1618 CC1(CCCC1)NC(=O)CCO 084e94b79c649a6b2637a8948466b0f9 [0,1,0,1,0,0|2,0,0]=4 10543 B12R1.1618 CC1(CCCC1)NC(=O)CCS 91075f25d76cf83640c5d4d3fce681f1 [0,1,0,1,0,0|2,0,0]=4 10544 B12R1.1618 CCCC(=O)NC1(CCCC1)C 3b888f7b9e4129ea8a21dd45b8f11144 [0,1,0,1,0,0|1,0,0]=3 10545 B12R1.1618 CCCC(=O)NC1(CCOC1)C bb1c5507858f802f91b00ccfba770dbe [0,1,0,1,0,0|2,0,0]=4 10546 B12R1.1618 COCC(=O)NC1(CCCC1)C d9ae014f91a6a8b7dcd4e3df7fa017ed [0,1,0,1,0,0|2,0,0]=4 10547 B12R1.1621 CCCC(=O)CN1CC(C1)CC 810a42d2cb1e7d930a8bd0231bd685ec [0,1,0,1,0,0|2,0,0]=4 10548 B12R1.1621 CCCC(=O)NC1CC(C1)CO 7f993c29dbe2d66fd0fb92e66febb1e8 [0,1,0,1,0,0|2,0,0]=4 10549 B12R1.1621 CCCC(=O)NC1CC(C1)OC 941f22246c10baf1c8f95e398a7584ac [0,1,0,1,0,0|2,0,0]=4 10550 B12R1.1621 CCCC(=O)NC1CN(C1)CC 74e3d936608b9061ebccc7bfe4a74b9c [0,1,0,1,0,0|2,0,0]=4 10551 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)CO 1ca23ccacd6a9f6b7ccc5b1cbef1e87b [0,1,0,1,0,0|2,0,0]=4 10552 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC fa238680ea734ae313a4c102d6f7521f [0,1,0,1,0,0|2,0,0]=4 10553 B12R1.1621 CCCC(=O)N[C@H]1C[C@H](C1)CO ad37d566bc007af8453b05a1f683c65c [0,1,0,1,0,0|2,0,0]=4 10554 B12R1.1621 CCCC(=O)N[C@H]1C[C@H](C1)OC 0fa46a05a0241374cb75f8a716cfc08b [0,1,0,1,0,0|2,0,0]=4 10555 B12R1.1621 CCCC(=S)OC1CC(C1)OC eb1054c94c6d3bab7486109a1ee108ea [0,1,0,1,0,0|1,1,0]=4 10556 B12R1.1621 CCCC(=S)O[C@H]1C[C@@H](C1)OC 1d13819486b8874e413771c220a6785e [0,1,0,1,0,0|1,1,0]=4 10557 B12R1.17 CC1CCCN(C1)C(=O)CCF 7aaca7493e479264e4aebd2be9d49db0 [0,1,0,1,0,0|2,0,0]=4 10558 B12R1.17 CC1CCCN(C1)C(=O)CCO 696849668a1f05a367eb4846d4d0af64 [0,1,0,1,0,0|2,0,0]=4 10559 B12R1.17 CC1CCCN(C1)C(=O)CCS 95fb504bd15fe74f8fb8481c415d1df3 [0,1,0,1,0,0|2,0,0]=4 10560 B12R1.17 CCCC(=O)N1CCCC(=O)C1 208ecafa0106eadf313d174949bd8fe0 [0,1,0,1,0,0|1,0,1]=4 10561 B12R1.17 CCCC(=O)N1CCCC(C1)C d3490d77f1a4355f31d4999dc6949e28 [0,1,0,1,0,0|1,0,0]=3 10562 B12R1.17 CCCC(=O)N1CCCC(C1)F 70c950222567ec92c2a19ef4bb0f1f8b [0,1,0,1,0,0|1,0,0]=3 10563 B12R1.17 CCCC(=O)N1CCCC(C1)O 315e67c3dcc4f80dd0f05c64b6352338 [0,1,0,1,0,0|1,0,0]=3 10564 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C d4e3d7c5da457c8ce2729e9f6b70190c [0,1,0,1,0,0|1,0,0]=3 10565 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)F a99e16dd1de6efb202e69647198913e4 [0,1,0,1,0,0|1,0,0]=3 10566 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)O 7e806b85c2d858e0aa2c84ab43f00763 [0,1,0,1,0,0|1,0,0]=3 10567 B12R1.17 CCCC(=O)N1CCC[C@H](C1)C 48f1fd0a020c841c82c0c01324940fda [0,1,0,1,0,0|1,0,0]=3 10568 B12R1.17 CCCC(=O)N1CCC[C@H](C1)F 8322c68a9821000257ef719055da5769 [0,1,0,1,0,0|1,0,0]=3 10569 B12R1.17 CCCC(=O)N1CCC[C@H](C1)O f8eb4b584f3427619393c163031b1cf8 [0,1,0,1,0,0|1,0,0]=3 10570 B12R1.17 CCCC(=O)N1CCOC(C1)C 38a550aea32ac6e6f044b43bed843a6e [0,1,0,1,0,0|2,0,0]=4 10571 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C fe8d268aac9972115ccc944b3244e081 [0,1,0,1,0,0|2,0,0]=4 10572 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C bc2429eb959189b2b49eb6fc581551b9 [0,1,0,1,0,0|2,0,0]=4 10573 B12R1.17 COCC(=O)N1CCCC(C1)C 6ffbbb6bc13be24120723d9d8f398a1b [0,1,0,1,0,0|2,0,0]=4 10574 B12R1.17 COCC(=O)N1CCCC(C1)F b6081a425eac9e5c18bfc53750a40e2e [0,1,0,1,0,0|2,0,0]=4 10575 B12R1.17 COCC(=O)N1CCCC(C1)O 43d3a79bf35645b2ce2e3f8fe13e6ef1 [0,1,0,1,0,0|2,0,0]=4 10576 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 2505c3a95b058c2d3575b68f6d262174 [0,1,0,1,0,0|2,0,0]=4 10577 B12R1.17 COCC(=O)N1CCC[C@@H](C1)F 85cbd91c485740113ab0eb0f060a17be [0,1,0,1,0,0|2,0,0]=4 10578 B12R1.17 COCC(=O)N1CCC[C@@H](C1)O 5fa9e893132c60d108ba081cd2b2fe07 [0,1,0,1,0,0|2,0,0]=4 10579 B12R1.17 COCC(=O)N1CCC[C@H](C1)C 4daea61403694fdd414fbe7b6ecd7914 [0,1,0,1,0,0|2,0,0]=4 10580 B12R1.17 COCC(=O)N1CCC[C@H](C1)F 72042f93832d659e9aa353e82035166e [0,1,0,1,0,0|2,0,0]=4 10581 B12R1.17 COCC(=O)N1CCC[C@H](C1)O 688d836e5480b8adacb6626002a06481 [0,1,0,1,0,0|2,0,0]=4 10582 B12R1.17 CSCC(=O)N1CCCC(C1)C d1a2303fec7bc78cb342e3d089b11fb9 [0,1,0,1,0,0|2,0,0]=4 10583 B12R1.17 CSCC(=O)N1CCCC(C1)F 24e1a4a258f1ae624491d62949f51eb8 [0,1,0,1,0,0|2,0,0]=4 10584 B12R1.17 CSCC(=O)N1CCCC(C1)O 81c69249b9f29244cdb81fa37aae61ec [0,1,0,1,0,0|2,0,0]=4 10585 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C c3bb1711c280268138fa56eeb39573bf [0,1,0,1,0,0|2,0,0]=4 10586 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)F 13e912012d08e6d3c145b7ce5962e1e8 [0,1,0,1,0,0|2,0,0]=4 10587 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)O 23e1b7097dcb1ceef5f7618eea96b457 [0,1,0,1,0,0|2,0,0]=4 10588 B12R1.17 CSCC(=O)N1CCC[C@H](C1)C 5b5e800f7f5ab7d7d3b2e89179fe3c4d [0,1,0,1,0,0|2,0,0]=4 10589 B12R1.17 CSCC(=O)N1CCC[C@H](C1)F 48dc13822e48661db9f3766fc997e616 [0,1,0,1,0,0|2,0,0]=4 10590 B12R1.17 CSCC(=O)N1CCC[C@H](C1)O fa18e323f910cc8d0c3f85aeca44c26a [0,1,0,1,0,0|2,0,0]=4 10591 B12R1.17 C[C@@H]1CCCN(C1)C(=O)CCF 95f4f508385c520e58a3bde05413cc22 [0,1,0,1,0,0|2,0,0]=4 10592 B12R1.17 C[C@@H]1CCCN(C1)C(=O)CCO 73d700a807639fa1f17b8a40c1e0a68b [0,1,0,1,0,0|2,0,0]=4 10593 B12R1.17 C[C@@H]1CCCN(C1)C(=O)CCS 7c847f4b6391119203daa6ef59b27ee0 [0,1,0,1,0,0|2,0,0]=4 10594 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCF a604c8f5e8733a76ed99d0150a0235bd [0,1,0,1,0,0|2,0,0]=4 10595 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCO 49aa86cc22f8dc652748594cf62fc534 [0,1,0,1,0,0|2,0,0]=4 10596 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCS 0a754ea7a755bd5cfc400133f9811c42 [0,1,0,1,0,0|2,0,0]=4 10597 B12R1.17 O=C(CCF)N1CCCC(C1)F 86c54dde14d7eebf4d08d7bc09b22104 [0,1,0,1,0,0|2,0,0]=4 10598 B12R1.17 O=C(CCF)N1CCCC(C1)O 96fc405854230a46f3da4c6e9844f446 [0,1,0,1,0,0|2,0,0]=4 10599 B12R1.17 O=C(CCF)N1CCC[C@@H](C1)F 7791434db1ba2f85e3f3da6225f008df [0,1,0,1,0,0|2,0,0]=4 10600 B12R1.17 O=C(CCF)N1CCC[C@@H](C1)O f03f3cbd9daf949fac0a2539ecfd5b3c [0,1,0,1,0,0|2,0,0]=4 10601 B12R1.17 O=C(CCF)N1CCC[C@H](C1)F a3178f6755f99f8d06ebf5ecdc7afea1 [0,1,0,1,0,0|2,0,0]=4 10602 B12R1.17 O=C(CCF)N1CCC[C@H](C1)O c19c9f276b2d595691be73f10912e61c [0,1,0,1,0,0|2,0,0]=4 10603 B12R1.17 O=C(CCO)N1CCCC(C1)F a5a90d680aaabc2c5c68b9713a2ee946 [0,1,0,1,0,0|2,0,0]=4 10604 B12R1.17 O=C(CCO)N1CCCC(C1)O 8f6892cfde6594f743d2292deb7501b0 [0,1,0,1,0,0|2,0,0]=4 10605 B12R1.17 O=C(CCO)N1CCC[C@@H](C1)F 76982719d5c209fce0bf1b51ab2058a1 [0,1,0,1,0,0|2,0,0]=4 10606 B12R1.17 O=C(CCO)N1CCC[C@@H](C1)O ba0e89ddabefae90484e640179e41973 [0,1,0,1,0,0|2,0,0]=4 10607 B12R1.17 O=C(CCO)N1CCC[C@H](C1)F d5a8586f9a4807391ae7e1d699736729 [0,1,0,1,0,0|2,0,0]=4 10608 B12R1.17 O=C(CCO)N1CCC[C@H](C1)O 5244f4607faeeb0891f17cd91d75becd [0,1,0,1,0,0|2,0,0]=4 10609 B12R1.17 O=C(CCS)N1CCCC(C1)F 323eccf57cab6d436a700fe167ffb4ac [0,1,0,1,0,0|2,0,0]=4 10610 B12R1.17 O=C(CCS)N1CCCC(C1)O e8263ffc88ba2a513f5d4a6b61416dbe [0,1,0,1,0,0|2,0,0]=4 10611 B12R1.17 O=C(CCS)N1CCC[C@@H](C1)F cd76d121087f1d93379eedaf88644d3d [0,1,0,1,0,0|2,0,0]=4 10612 B12R1.17 O=C(CCS)N1CCC[C@@H](C1)O 740fd8a844c5be09e75fb6a3b6c89334 [0,1,0,1,0,0|2,0,0]=4 10613 B12R1.17 O=C(CCS)N1CCC[C@H](C1)F 86279444fb281e04c1258fc0f84bf005 [0,1,0,1,0,0|2,0,0]=4 10614 B12R1.17 O=C(CCS)N1CCC[C@H](C1)O d898bb33d61611e6e88e59f0389df535 [0,1,0,1,0,0|2,0,0]=4 10615 B12R1.178 CCCC(=O)N1CC(C1)CCC 53568929acba5bf9574f2fc97737bcde [0,1,0,1,0,0|1,0,0]=3 10616 B12R1.178 CCCC(=O)N1CC(C1)COC 3fe2368739aaa4fa2463348822b87701 [0,1,0,1,0,0|2,0,0]=4 10617 B12R1.178 CCCC(=O)N1CC(C1)OCC 6245b0707ccb9cc24b73f0d071ff0fac [0,1,0,1,0,0|2,0,0]=4 10618 B12R1.178 CCCC1CN(C1)C(=O)CCF 8232145f27890af5291fca4b97c440ed [0,1,0,1,0,0|2,0,0]=4 10619 B12R1.178 CCCC1CN(C1)C(=O)CCO fe2a2d88d40017fa2b5db72f6c3a73ac [0,1,0,1,0,0|2,0,0]=4 10620 B12R1.178 CCCC1CN(C1)C(=O)CCS 4fab15d381ae3eda506a69fbe65690f3 [0,1,0,1,0,0|2,0,0]=4 10621 B12R1.178 CCCC1CN(C1)C(=O)COC 6c92b7c1e343b8b179b119906796edd4 [0,1,0,1,0,0|2,0,0]=4 10622 B12R1.178 CCCC1CN(C1)C(=O)CSC e3ca11099e023a0d40c1043f3e324497 [0,1,0,1,0,0|2,0,0]=4 10623 B12R1.313 CCCC(=O)N1C[C@@H](C[C@@H]1C)F 9dab2ba374710889694da199f10e3862 [0,1,0,1,0,0|1,0,0]=3 10624 B12R1.313 CCCC(=O)N1C[C@@H](C[C@@H]1C)O 9b07f26701ed6cf6f49afe6ebc1d6ccf [0,1,0,1,0,0|1,0,0]=3 10625 B12R1.313 CCCC(=O)N1C[C@@H](C[C@H]1C)F 4d8b84566afee1e99bb786ad231f270f [0,1,0,1,0,0|1,0,0]=3 10626 B12R1.313 CCCC(=O)N1C[C@@H](C[C@H]1C)O 509654ca0fcf97e9303f03b5659ef99c [0,1,0,1,0,0|1,0,0]=3 10627 B12R1.313 CCCC(=O)N1C[C@H](C[C@@H]1C)F 18415e2a3b20519f05d6e03cde5b61e2 [0,1,0,1,0,0|1,0,0]=3 10628 B12R1.313 CCCC(=O)N1C[C@H](C[C@@H]1C)O 736111c9972b3402d33b65d0959167fe [0,1,0,1,0,0|1,0,0]=3 10629 B12R1.313 CCCC(=O)N1C[C@H](C[C@H]1C)F 8145988c05f6cce982bd5b9bcee269cf [0,1,0,1,0,0|1,0,0]=3 10630 B12R1.313 CCCC(=O)N1C[C@H](C[C@H]1C)O e9b52183c0c2ea60b99cb133dae29df1 [0,1,0,1,0,0|1,0,0]=3 10631 B12R1.313 COCC(=O)N1C[C@@H](C[C@@H]1C)F 91240cfd2baaff649fcfb84b320b8d64 [0,1,0,1,0,0|2,0,0]=4 10632 B12R1.313 COCC(=O)N1C[C@@H](C[C@@H]1C)O c97f3a23fce072806848dc93feb8f695 [0,1,0,1,0,0|2,0,0]=4 10633 B12R1.313 COCC(=O)N1C[C@@H](C[C@H]1C)F f3268ef0d45d0060dce219d8bede340e [0,1,0,1,0,0|2,0,0]=4 10634 B12R1.313 COCC(=O)N1C[C@@H](C[C@H]1C)O 4deee8ef9d3446b5d62b639d4fc6771e [0,1,0,1,0,0|2,0,0]=4 10635 B12R1.313 COCC(=O)N1C[C@H](C[C@@H]1C)F 830148889b47b16653d1bd3e2c3f9607 [0,1,0,1,0,0|2,0,0]=4 10636 B12R1.313 COCC(=O)N1C[C@H](C[C@@H]1C)O 4e4d7a2081ee04410a2223988f0d6f8a [0,1,0,1,0,0|2,0,0]=4 10637 B12R1.313 COCC(=O)N1C[C@H](C[C@H]1C)F 6607c75ed455fcdcd093d984fa2f077b [0,1,0,1,0,0|2,0,0]=4 10638 B12R1.313 COCC(=O)N1C[C@H](C[C@H]1C)O 391b2adfa8f3e49f968ef8f5fa5e27d9 [0,1,0,1,0,0|2,0,0]=4 10639 B12R1.313 CSCC(=O)N1C[C@@H](C[C@@H]1C)F 0362fb8d088a3c81581c788dc2a874f2 [0,1,0,1,0,0|2,0,0]=4 10640 B12R1.313 CSCC(=O)N1C[C@@H](C[C@@H]1C)O cb970553385dac3f53aa8f4c57b5c2d9 [0,1,0,1,0,0|2,0,0]=4 10641 B12R1.313 CSCC(=O)N1C[C@@H](C[C@H]1C)F 0def42196b169fa283fabbe3a94041f6 [0,1,0,1,0,0|2,0,0]=4 10642 B12R1.313 CSCC(=O)N1C[C@@H](C[C@H]1C)O ff7c8c9446b82a54edeec4596a6fc416 [0,1,0,1,0,0|2,0,0]=4 10643 B12R1.313 CSCC(=O)N1C[C@H](C[C@@H]1C)F 8303c54160bff0d417a8b898aec51bc1 [0,1,0,1,0,0|2,0,0]=4 10644 B12R1.313 CSCC(=O)N1C[C@H](C[C@@H]1C)O 98cf9f73a7361a76dd2facf501b98ac2 [0,1,0,1,0,0|2,0,0]=4 10645 B12R1.313 CSCC(=O)N1C[C@H](C[C@H]1C)F 8bf715ce9ba12723f84df7684966837f [0,1,0,1,0,0|2,0,0]=4 10646 B12R1.313 CSCC(=O)N1C[C@H](C[C@H]1C)O 4a325e22bb80cb1ffca206fb14c2289d [0,1,0,1,0,0|2,0,0]=4 10647 B12R1.313 C[C@@H]1C[C@@H](CN1C(=O)CCF)F ad4b796981c4594b738810b93409c144 [0,1,0,1,0,0|2,0,0]=4 10648 B12R1.313 C[C@@H]1C[C@@H](CN1C(=O)CCF)O e45665300226182c1e5ccefb34a447ce [0,1,0,1,0,0|2,0,0]=4 10649 B12R1.313 C[C@@H]1C[C@@H](CN1C(=O)CCO)F 4c9becdd4f36e4e2237f0c809dae10c2 [0,1,0,1,0,0|2,0,0]=4 10650 B12R1.313 C[C@@H]1C[C@@H](CN1C(=O)CCO)O d0f430fa970040bfc87531e16b0eb1f6 [0,1,0,1,0,0|2,0,0]=4 10651 B12R1.313 C[C@@H]1C[C@@H](CN1C(=O)CCS)F 71c1e5cbd65299882c214bafe0ddb753 [0,1,0,1,0,0|2,0,0]=4 10652 B12R1.313 C[C@@H]1C[C@@H](CN1C(=O)CCS)O 50fe8f368f74529131b3642e4adf9c59 [0,1,0,1,0,0|2,0,0]=4 10653 B12R1.313 C[C@@H]1C[C@H](CN1C(=O)CCF)F c25a4d35cd57dda66bd9f5db28e55b53 [0,1,0,1,0,0|2,0,0]=4 10654 B12R1.313 C[C@@H]1C[C@H](CN1C(=O)CCF)O c8e8d08401613232eef03343f48ec647 [0,1,0,1,0,0|2,0,0]=4 10655 B12R1.313 C[C@@H]1C[C@H](CN1C(=O)CCO)F 2d6ad98f3dd0454bed7a9b0fd6fc2128 [0,1,0,1,0,0|2,0,0]=4 10656 B12R1.313 C[C@@H]1C[C@H](CN1C(=O)CCO)O a4c4cbb268f375b32fe2d806aae974ce [0,1,0,1,0,0|2,0,0]=4 10657 B12R1.313 C[C@@H]1C[C@H](CN1C(=O)CCS)F 958ad92c2a2b6289a9037e3e5c3aba1e [0,1,0,1,0,0|2,0,0]=4 10658 B12R1.313 C[C@@H]1C[C@H](CN1C(=O)CCS)O 357f4034a6a48dc88ccde65e1d65a1bb [0,1,0,1,0,0|2,0,0]=4 10659 B12R1.313 C[C@H]1C[C@@H](CN1C(=O)CCF)F 2d6b9599ec149c005dbfb4ba30ff0723 [0,1,0,1,0,0|2,0,0]=4 10660 B12R1.313 C[C@H]1C[C@@H](CN1C(=O)CCF)O 84d2a8710b5e0b64dbaa7bec5d79b494 [0,1,0,1,0,0|2,0,0]=4 10661 B12R1.313 C[C@H]1C[C@@H](CN1C(=O)CCO)F f7f858d8ef551efae85ad1b1eb46d16d [0,1,0,1,0,0|2,0,0]=4 10662 B12R1.313 C[C@H]1C[C@@H](CN1C(=O)CCO)O 2b0e6242fa5d4cae86344e88a060a8c9 [0,1,0,1,0,0|2,0,0]=4 10663 B12R1.313 C[C@H]1C[C@@H](CN1C(=O)CCS)F dcef6b5b341d32a294d4addb4c504698 [0,1,0,1,0,0|2,0,0]=4 10664 B12R1.313 C[C@H]1C[C@@H](CN1C(=O)CCS)O f3a2b2d4c542053ae0c82f4c5f7fd925 [0,1,0,1,0,0|2,0,0]=4 10665 B12R1.313 C[C@H]1C[C@H](CN1C(=O)CCF)F 3aec6c8d33cd037d6f9130e38aa2dc1e [0,1,0,1,0,0|2,0,0]=4 10666 B12R1.313 C[C@H]1C[C@H](CN1C(=O)CCF)O f0dbaef646e80bfbc7a9a6ba7f306951 [0,1,0,1,0,0|2,0,0]=4 10667 B12R1.313 C[C@H]1C[C@H](CN1C(=O)CCO)F 006e16f94e546167b363e50986bceb88 [0,1,0,1,0,0|2,0,0]=4 10668 B12R1.313 C[C@H]1C[C@H](CN1C(=O)CCO)O 8f50935163a12faf081e8a20fa856c73 [0,1,0,1,0,0|2,0,0]=4 10669 B12R1.313 C[C@H]1C[C@H](CN1C(=O)CCS)F 298802cea9533d07cba6dff57a01d55d [0,1,0,1,0,0|2,0,0]=4 10670 B12R1.313 C[C@H]1C[C@H](CN1C(=O)CCS)O 3404eae5dc94e7a7a458ac122b59b8c6 [0,1,0,1,0,0|2,0,0]=4 10671 B12R1.467 C=C1CC(C1)COC(=S)CCC e573b6c3201b6a034d8e1d7d1e121b28 [0,1,0,1,0,0|0,1,1]=4 10672 B12R1.467 CCCC(=O)CNC1CC(C1)F e3029ec00771eb40f09c4232b4132248 [0,1,0,1,0,0|2,0,0]=4 10673 B12R1.467 CCCC(=O)CNC1CC(C1)O 2bb62a2d0e8b6015b1c2c404771f67b7 [0,1,0,1,0,0|2,0,0]=4 10674 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)F 467656087f991a84e36ccae0a21cb016 [0,1,0,1,0,0|2,0,0]=4 10675 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)O 0c975abd89be768ba004778127eb9b27 [0,1,0,1,0,0|2,0,0]=4 10676 B12R1.467 CCCC(=O)CN[C@H]1C[C@H](C1)F 8c05536e2cfd4f02369d8a98147b991d [0,1,0,1,0,0|2,0,0]=4 10677 B12R1.467 CCCC(=O)CN[C@H]1C[C@H](C1)O 50ab3480bd3ba6662a57a2381e376a5e [0,1,0,1,0,0|2,0,0]=4 10678 B12R1.467 CCCC(=O)COC1CC(C1)C af35c1916ac31bdd3b7c4039812dc80d [0,1,0,1,0,0|2,0,0]=4 10679 B12R1.467 CCCC(=O)COC1CC(C1)F 0f062c1a5e7c2e017ebaf9b13a28ab4f [0,1,0,1,0,0|2,0,0]=4 10680 B12R1.467 CCCC(=O)CO[C@H]1C[C@@H](C1)F 9b1dbc55361e1e801849cadfe7099c65 [0,1,0,1,0,0|2,0,0]=4 10681 B12R1.467 CCCC(=O)CO[C@H]1C[C@H](C1)F 21d07924c79e761ebb86fdb2fab04f67 [0,1,0,1,0,0|2,0,0]=4 10682 B12R1.467 CCCC(=O)NCC1CC(C1)O a304cf28195d7ffc5e421874cb0512ea [0,1,0,1,0,0|1,0,0]=3 10683 B12R1.467 CCCC(=O)NCC1CN(C1)C c9e3bb27d8d23bad2364c9a482ae3790 [0,1,0,1,0,0|2,0,0]=4 10684 B12R1.467 CCCC(=O)NC[C@H]1C[C@@H](C1)O e89d4635351c621d140cd70b6459c599 [0,1,0,1,0,0|1,0,0]=3 10685 B12R1.467 CCCC(=O)NC[C@H]1C[C@H](C1)O 2629e1b00e8cdedc0378d95615aa5bfa [0,1,0,1,0,0|1,0,0]=3 10686 B12R1.467 CCCC(=O)OCN1CC(C1)O 142e629e37e890983fe5ecd81607cb3b [0,1,0,1,0,0|1,0,0]=3 10687 B12R1.467 CCCC(=S)OCC1CC(=O)C1 72127777a81e6b4a45e8420dea2d8fab [0,1,0,1,0,0|0,1,1]=4 10688 B12R1.467 CCCC(=S)OCC1CC(C1)C 5301c7922cf33270ed5f9f78b04c849d [0,1,0,1,0,0|0,1,0]=3 10689 B12R1.467 CCCC(=S)OC[C@H]1C[C@H](C1)F 06d5b26c7b6ccecd5f4891765ebfd3e4 [0,1,0,1,0,0|0,1,0]=3 10690 B12R1.467 CCCC(C)COC1CC(C1)C 0453c065ed511a330f6061e9df628daa [0,1,0,1,0,0|1,0,1]=4 10691 B12R1.467 CCCC(C)OCC1CC(C1)C 295c9d85f70e46c4a94b9ba010abb866 [0,1,0,1,0,0|1,0,1]=4 10692 B12R1.467 CCCC(C)OCC1CC(C1)F 162a6ffa0aab089611ef1e0d63075bf2 [0,1,0,1,0,0|1,0,1]=4 10693 B12R1.467 CCCC(C)OC[C@H]1C[C@@H](C1)C bbb058f6d5a2a1ac3ac209ef81bd3201 [0,1,0,1,0,0|1,0,1]=4 10694 B12R1.467 CCCC(C)OC[C@H]1C[C@H](C1)F 2094be04c01fa6ed00cb14214b67d209 [0,1,0,1,0,0|1,0,1]=4 10695 B12R1.467 CCC[C@@H](C)OCC1CC(C1)C 0369e9c294f051fb327da37e8ba93772 [0,1,0,1,0,0|1,0,1]=4 10696 B12R1.467 CCC[C@@H](C)OC[C@H]1C[C@H](C1)F 5a63ac880890344e0389d4c61fca3c2a [0,1,0,1,0,0|1,0,1]=4 10697 B12R1.467 CCC[C@H](C)OCC1CC(C1)C dad4c410cec204a7e852a800e69b2282 [0,1,0,1,0,0|1,0,1]=4 10698 B12R1.467 CCC[C@H](C)OC[C@H]1C[C@H](C1)F 16af533cdce8c379e33478ebc20175e9 [0,1,0,1,0,0|1,0,1]=4 10699 B12R1.467 CCOC(=O)OCN1CC(C1)F e0b521c11d991258edf03f12b9162cf4 [0,1,0,1,0,0|2,0,0]=4 10700 B12R1.467 CCOC(=O)OCN1CC(C1)O 2e49a5efb1b6b401f6cbfb359857eb31 [0,1,0,1,0,0|2,0,0]=4 10701 B12R1.467 CCSC(=O)OCN1CC(C1)F 79264711c58cc6dea0e5370f832ec315 [0,1,0,1,0,0|2,0,0]=4 10702 B12R1.467 CCSC(=O)OCN1CC(C1)O 4832af04c5bd739f26dfd325066d4798 [0,1,0,1,0,0|2,0,0]=4 10703 B12R1.467 COCC(=O)NCC1CC(C1)O 312edc3ca987ab4c1ff480f31f965afa [0,1,0,1,0,0|2,0,0]=4 10704 B12R1.467 COCC(=O)NC[C@H]1C[C@@H](C1)O 6ffa57991c9dc443eee6dcc233cb085e [0,1,0,1,0,0|2,0,0]=4 10705 B12R1.467 COCC(=O)NC[C@H]1C[C@H](C1)O 57f925563500dfe463a57dfd5923f4d3 [0,1,0,1,0,0|2,0,0]=4 10706 B12R1.467 CSCC(=O)NCC1CC(C1)O f0ae2992d8bf367292039cf0c042f7f0 [0,1,0,1,0,0|2,0,0]=4 10707 B12R1.467 CSCC(=O)NC[C@H]1C[C@@H](C1)O a0f9dee3831397e9a9077464be995114 [0,1,0,1,0,0|2,0,0]=4 10708 B12R1.467 CSCC(=O)NC[C@H]1C[C@H](C1)O 80b40022035fbf203aff5bb01e55ad1f [0,1,0,1,0,0|2,0,0]=4 10709 B12R1.467 O=C(CCF)NCC1CC(C1)O 811f76badb31a752999fb1c9a2637cac [0,1,0,1,0,0|2,0,0]=4 10710 B12R1.467 O=C(CCF)NC[C@H]1C[C@@H](C1)O 3d09b1b13af7e61ac24c04b51a9c836f [0,1,0,1,0,0|2,0,0]=4 10711 B12R1.467 O=C(CCF)NC[C@H]1C[C@H](C1)O 24f9c39a63b6f46dab3e4d3ed1dc3080 [0,1,0,1,0,0|2,0,0]=4 10712 B12R1.467 O=C(CCO)NCC1CC(C1)O 7f9221646c63e459bdf1fb51252de260 [0,1,0,1,0,0|2,0,0]=4 10713 B12R1.467 O=C(CCO)NC[C@H]1C[C@@H](C1)O 0e97138fd63e5c577073d42f476a853b [0,1,0,1,0,0|2,0,0]=4 10714 B12R1.467 O=C(CCO)NC[C@H]1C[C@H](C1)O 7055f9ae18ff7a65691736a4c677b735 [0,1,0,1,0,0|2,0,0]=4 10715 B12R1.467 O=C(CCS)NCC1CC(C1)O 246b5daa1ae973a7137bd8542e5a37ed [0,1,0,1,0,0|2,0,0]=4 10716 B12R1.467 O=C(CCS)NC[C@H]1C[C@@H](C1)O a075d564d5a77158eed4652d8fdf7ce7 [0,1,0,1,0,0|2,0,0]=4 10717 B12R1.467 O=C(CCS)NC[C@H]1C[C@H](C1)O 6c78227ed49776619d3293d1e911723a [0,1,0,1,0,0|2,0,0]=4 10718 B12R1.686 CCCC(=O)CN[C@@H](C)C1CC1 1ff2f6f1da2d039de05a69a27c00012f [0,1,0,1,0,0|2,0,0]=4 10719 B12R1.686 CCCC(=O)CN[C@H](C)C1CC1 9740cd81990ec863bde4b5a36d3fe4b5 [0,1,0,1,0,0|2,0,0]=4 10720 B12R1.686 CCCC(=O)COC(C)C1CC1 216a24f75afe022f3345ba439537603f [0,1,0,1,0,0|2,0,0]=4 10721 B12R1.686 CCCC(=O)CO[C@@H](C)C1CC1 8fbf481b1de23e32851d020f6fca5cf5 [0,1,0,1,0,0|2,0,0]=4 10722 B12R1.686 CCCC(=O)CO[C@H](C)C1CC1 6153e992cf59dfba79eda58ffda344ad [0,1,0,1,0,0|2,0,0]=4 10723 B12R1.686 CCCC(=O)NCC(O)C1CC1 3873831869571026515302d2cd6242c3 [0,1,0,1,0,0|1,0,0]=3 10724 B12R1.686 CCCC(=O)OCN(C)C1CC1 67a485f47cb6905cf9dcca82dcb1c49b [0,1,0,1,0,0|1,0,0]=3 10725 B12R1.686 CCCC(=S)OCC(=O)C1CC1 4f21e2d6ec4f3dd2a11b56576d1191d9 [0,1,0,1,0,0|0,1,1]=4 10726 B12R1.686 CCCC(C)COC(C)C1CC1 69be2d51b26148dbb8152cd34abf4759 [0,1,0,1,0,0|1,0,1]=4 10727 B12R1.686 CCCC(C)CO[C@@H](C)C1CC1 615f503b8a015421671e10d9a89b6638 [0,1,0,1,0,0|1,0,1]=4 10728 B12R1.686 CCCC(C)CO[C@H](C)C1CC1 9c61bef940a3a0dc4a4e5a1d9db08b09 [0,1,0,1,0,0|1,0,1]=4 10729 B12R1.686 CCCC(C)NCC(=O)C1CC1 55e955cfa4ac617305140c4a03036a07 [0,1,0,1,0,0|2,0,0]=4 10730 B12R1.686 CCCC(C)OCC(=O)C1CC1 50d4a5c49a4b6d4475b3c30236fd1b53 [0,1,0,1,0,0|2,0,0]=4 10731 B12R1.686 CCCC(C)OCC(C)C1CC1 1a8de0e06fb33cf5ddfb9581f6640eac [0,1,0,1,0,0|1,0,1]=4 10732 B12R1.686 CCC[C@@H](C)OCC(=O)C1CC1 ce0b5712acea04bf0cacd7a12940ad1d [0,1,0,1,0,0|2,0,0]=4 10733 B12R1.686 CCC[C@H](C)NCC(=O)C1CC1 031372e33e33ee4302736cc2427fc8a1 [0,1,0,1,0,0|2,0,0]=4 10734 B12R1.686 CCC[C@H](C)OCC(=O)C1CC1 44e90b2f8a0db35c55014a8580166bc5 [0,1,0,1,0,0|2,0,0]=4 10735 B12R1.686 CCOC(=O)OCN(C)C1CC1 0df5c232d7182618661b00789ea04f30 [0,1,0,1,0,0|2,0,0]=4 10736 B12R1.686 CCSC(=O)OCN(C)C1CC1 5fd86c65b8b63be45903c6da21b20ee5 [0,1,0,1,0,0|2,0,0]=4 10737 B12R1.686 CN(CCF)COC(=O)C1CC1 367577b16dd20f830659e202109f38cf [0,1,0,1,0,0|2,0,0]=4 10738 B12R1.686 COCC(=O)NCC(O)C1CC1 bc8638081b05dd85f4ca809b1f3d4073 [0,1,0,1,0,0|2,0,0]=4 10739 B12R1.686 CSCC(=O)NCC(O)C1CC1 cc19e39f854dc0e055d1fdf0bf69004a [0,1,0,1,0,0|2,0,0]=4 10740 B12R1.686 O=C(CCF)NCC(O)C1CC1 595407c8c3f6a2a443d86b7b35bb8757 [0,1,0,1,0,0|2,0,0]=4 10741 B12R1.686 O=C(CCO)NCC(O)C1CC1 7a3fa7c9c1e2483c178f467f515c89ad [0,1,0,1,0,0|2,0,0]=4 10742 B12R1.686 O=C(CCS)NCC(O)C1CC1 2cc382029e701d119f87f2013410c42a [0,1,0,1,0,0|2,0,0]=4 10743 B12R1.1573 CCCC(=O)CNC1(CCC1)C 6eab18ffec6d367e4f0ec72205e18189 [0,1,0,1,0,0|2,0,0]=4 10744 B12R1.1573 CCCC(=O)NCC1(CCC1)O fd9e38d6e7e09f39b107e46d9bf313e4 [0,1,0,1,0,0|1,0,0]=3 10745 B12R1.1573 CCCC(=O)NCC1(CCO1)C 478ec4e81c5c4c4fce4601e385c2d113 [0,1,0,1,0,0|2,0,0]=4 10746 B12R1.1573 CCCC(=O)NCC1(COC1)C 0f35c328f8c13f3ff156119405263979 [0,1,0,1,0,0|2,0,0]=4 10747 B12R1.1573 CCCC(=O)NCC1(COC1)F cb1940ba7007f257529f5a252777f7bb [0,1,0,1,0,0|2,0,0]=4 10748 B12R1.1573 CCCC(=O)NCC1(COC1)O cb46dfd60a27b7ed29abcdb452ad4dd6 [0,1,0,1,0,0|2,0,0]=4 10749 B12R1.1573 CCCC(=O)NC[C@@]1(CCO1)C 9997b62da7d9b3bab4105465eeb349e7 [0,1,0,1,0,0|2,0,0]=4 10750 B12R1.1573 CCCC(=S)OCC1(CCC1)C 75c55561f6aed022744b838d8bf2bfdc [0,1,0,1,0,0|0,1,0]=3 10751 B12R1.1573 CCCC(=S)OCC1(COC1)C aa5ee6ec28ccfb9d61cfb5ae92c3b041 [0,1,0,1,0,0|1,1,0]=4 10752 B12R1.1573 CCCC(=S)OCC1(COC1)F 738c729c117511c41448cdecd4978bc9 [0,1,0,1,0,0|1,1,0]=4 10753 B12R1.1573 CCCC(C)OCC1(CCC1)C 04d9690d9d1cd2375b08ac2e7d53681e [0,1,0,1,0,0|1,0,1]=4 10754 B12R1.1573 CCCC(C)OCC1(CCC1)F 691c19b53176531d7260d18fc2ce6f05 [0,1,0,1,0,0|1,0,1]=4 10755 B12R1.1573 CCC[C@@H](C)OCC1(CCC1)C 25f938a0c969236de6df344ae4b785d9 [0,1,0,1,0,0|1,0,1]=4 10756 B12R1.1573 CCC[C@H](C)OCC1(CCC1)C 3095d293650f25b415bda456bd568026 [0,1,0,1,0,0|1,0,1]=4 10757 B12R1.1573 COCC(=O)NCC1(CCC1)O d06b2eb941324c749d1b096eb31f7b0a [0,1,0,1,0,0|2,0,0]=4 10758 B12R1.1573 CSCC(=O)NCC1(CCC1)O d3a47e75c21d5e73a3525f28f54eae15 [0,1,0,1,0,0|2,0,0]=4 10759 B12R1.1573 O=C(CCF)NCC1(CCC1)O d2cc19f48f878dc36cf4679b327d919d [0,1,0,1,0,0|2,0,0]=4 10760 B12R1.1573 O=C(CCO)NCC1(CCC1)O f326d83b30cb77de36df3edc72ed5428 [0,1,0,1,0,0|2,0,0]=4 10761 B12R1.1573 O=C(CCS)NCC1(CCC1)O ff6ddf7ef647907fb1350b34469e89dd [0,1,0,1,0,0|2,0,0]=4 10762 B12R1.2049 CCCC(=O)CN1C(CC1C)C 5745c7db4ebc36388c072c722a7b91ad [0,1,0,1,0,0|2,0,0]=4 10763 B12R1.2049 CCCC(=O)CN1[C@@H](C[C@@H]1C)C 8611532a2130269744a932ec46f25c71 [0,1,0,1,0,0|2,0,0]=4 10764 B12R1.2049 CCCC(=O)CN1[C@@H](C[C@H]1C)C 1dd3c92b158a33aa9f66b396200cbfc1 [0,1,0,1,0,0|2,0,0]=4 10765 B12R1.2049 CCCC(=O)CN1[C@H](C[C@@H]1C)C be396f086c0186409cd4067cc9930a87 [0,1,0,1,0,0|2,0,0]=4 10766 B12R1.8 CCCCCOC1C=CCCC1 bbcc88e64d56d8567c7e835ed2bef081 [0,1,0,1,0,0|1,0,1]=4 10767 B12R1.8 CCCCCOC1CCCCC1 b07651d65e9755ba815a86821130d808 [0,1,0,1,0,0|1,0,1]=4 10768 B12R1.8 CCCCCOC1CCCCO1 18b43ff403d614c1654f078f891c172f [0,1,0,1,0,0|0,0,2]=4 10769 B12R1.8 CCCCCOC1CCCOC1 ac9b414905ceb08b6e856716c5e4e383 [0,1,0,1,0,0|0,0,2]=4 10770 B12R1.8 CCCCCOC1CCCSC1 d5414778982b73d28087f0bc6cf221aa [0,1,0,1,0,0|0,1,1]=4 10771 B12R1.8 CCCCCOC1CCOCC1 4a946891f0e1b834d032e83f70b6fd21 [0,1,0,1,0,0|1,0,1]=4 10772 B12R1.8 CCCCCOC1CCSCC1 07cb33396df5640e9ece8cd3bea88bb4 [0,1,0,1,0,0|1,0,1]=4 10773 B12R1.8 CCCCCO[C@@H]1CCCOC1 c70fe042d36c9b6649bf16edd56979b5 [0,1,0,1,0,0|0,0,2]=4 10774 B12R1.8 CCCCCO[C@H]1CCCOC1 fd9fbe42eb4f55c7a21d114ea6249cb8 [0,1,0,1,0,0|0,0,2]=4 10775 B12R1.30 CCCCC(=O)N1CCCOC1 ce3794332b339de548d738dc24db5d87 [0,1,0,1,0,0|2,0,0]=4 10776 B12R1.30 CCCCC(=O)N1CCCSC1 7a6f1fe3b5f331aa757887c41f70621a [0,1,0,1,0,0|2,0,0]=4 10777 B12R1.30 CCCCC(=O)N1CCOCC1 d7c3947703a9973f25e7aaa74a3642c8 [0,1,0,1,0,0|2,0,0]=4 10778 B12R1.30 CCCCC(=O)N1CCSCC1 8749c8419fb5e70aad6376250fccc329 [0,1,0,1,0,0|2,0,0]=4 10779 B12R1.30 CCCNC(=O)C1=CCCCC1 f4f51dde6c8fa18072a07f09127f0543 [0,1,0,1,0,0|1,0,1]=4 10780 B12R1.30 CCCNC(=O)C1CCCCO1 0c161c07d478c4e32dc5c8861268d51b [0,1,0,1,0,0|2,0,0]=4 10781 B12R1.30 CCCNC(=O)N1CCCOC1 1d4829260f46ba916be40541216b469d [0,1,0,1,0,0|2,0,0]=4 10782 B12R1.30 CCCNC(=O)N1CCCSC1 ae1d0e1c3c9c3dbd81d7d71e79ada996 [0,1,0,1,0,0|2,0,0]=4 10783 B12R1.30 CCCNC(=O)N1CCNCC1 87854c11d1ec0882997f330576b35dd2 [0,1,0,1,0,0|2,0,0]=4 10784 B12R1.30 CCCNC(=O)N1CCOCC1 de4b39e72a78afe48588bf6c8ac3734a [0,1,0,1,0,0|2,0,0]=4 10785 B12R1.30 CCCNC(=O)N1CCSCC1 74c6eef83e0adbc3538e79d2fd28b786 [0,1,0,1,0,0|2,0,0]=4 10786 B12R1.30 CCCNC(=O)[C@@H]1CCCCO1 2e71d3dee9a822bae4ffcf9caff29cd9 [0,1,0,1,0,0|2,0,0]=4 10787 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 27cbda1972c229c77114ea6ed41a1a07 [0,1,0,1,0,0|2,0,0]=4 10788 B12R1.30 CCNCC(=O)N1CCCCC1 0561846c07ebf42a7f20a9597f71d06c [0,1,0,1,0,0|1,0,0]=3 10789 B12R1.30 CCNCC(=O)N1CCOCC1 3e42fea93eb9095ea45499bd1ca9b9fa [0,1,0,1,0,0|2,0,0]=4 10790 B12R1.30 CCOCC(=O)C1CCCCC1 a83b9201d8f85007fb6a83ca17e5ed02 [0,1,0,1,0,0|1,0,0]=3 10791 B12R1.30 CCOCC(=O)N1CCCCC1 bbc4759a1c48ad6c286d52f607f446a6 [0,1,0,1,0,0|1,0,0]=3 10792 B12R1.30 CCOCC(=O)N1CCCOC1 d02420b0f794d55fe4cb09565afe2acb [0,1,0,1,0,0|2,0,0]=4 10793 B12R1.30 CCOCC(=O)N1CCCSC1 86ce63781c231eaa775ca02ef0cb0ed5 [0,1,0,1,0,0|2,0,0]=4 10794 B12R1.30 CCOCC(=O)N1CCOCC1 e22fe8bf242e2d05276dd5e24c9b296e [0,1,0,1,0,0|2,0,0]=4 10795 B12R1.30 CCOCC(=O)N1CCSCC1 75a3a45a4bc24371111b366f558ba688 [0,1,0,1,0,0|2,0,0]=4 10796 B12R1.30 CCSCC(=O)N1CCCOC1 0eadd1b3fb57ca48df57546676b98b08 [0,1,0,1,0,0|2,0,0]=4 10797 B12R1.30 CCSCC(=O)N1CCCSC1 5ea6b0bdac8bc474fa735e9b423e2d53 [0,1,0,1,0,0|2,0,0]=4 10798 B12R1.30 CCSCC(=O)N1CCOCC1 5943caee78526d8dc2f3321a0d94ca3f [0,1,0,1,0,0|2,0,0]=4 10799 B12R1.30 CCSCC(=O)N1CCSCC1 f9c6b0199926d3b3606f2cacd8c65ed3 [0,1,0,1,0,0|2,0,0]=4 10800 B12R1.30 COCCC(=O)N1CCCOC1 2d88b6961d1dd86d43a36714e5351b4c [0,1,0,1,0,0|2,0,0]=4 10801 B12R1.30 COCCC(=O)N1CCCSC1 857195eb0eb1f18973a15d638dc18e4b [0,1,0,1,0,0|2,0,0]=4 10802 B12R1.30 COCCC(=O)N1CCOCC1 a1e34b3e10d6575a7db8f5a9d20f8532 [0,1,0,1,0,0|2,0,0]=4 10803 B12R1.30 COCCC(=O)N1CCSCC1 b17ec989b873ca903bf06961c2b87b70 [0,1,0,1,0,0|2,0,0]=4 10804 B12R1.30 CSCCC(=O)N1CCCOC1 1731e59a841aeca314a9436c44b177b3 [0,1,0,1,0,0|2,0,0]=4 10805 B12R1.30 CSCCC(=O)N1CCCSC1 6729c2eadc86b9513af51644b4bf7348 [0,1,0,1,0,0|2,0,0]=4 10806 B12R1.30 CSCCC(=O)N1CCOCC1 81552fb8eb85d1bf412a38053b354c8b [0,1,0,1,0,0|2,0,0]=4 10807 B12R1.30 CSCCC(=O)N1CCSCC1 b9cc9af7372518ba71926f0599a231b5 [0,1,0,1,0,0|2,0,0]=4 10808 B12R1.30 O=C(CCCF)N1CCCOC1 db76203e183b59921c13183c16124d6f [0,1,0,1,0,0|2,0,0]=4 10809 B12R1.30 O=C(CCCF)N1CCCSC1 c312afd68a455b7331146f43bf5e9deb [0,1,0,1,0,0|2,0,0]=4 10810 B12R1.30 O=C(CCCF)N1CCOCC1 a9d363b2ad1d91ebd6d5daf8982ba04e [0,1,0,1,0,0|2,0,0]=4 10811 B12R1.30 O=C(CCCF)N1CCSCC1 1878434cd45a5912e39e11922e5d6b2d [0,1,0,1,0,0|2,0,0]=4 10812 B12R1.30 O=C(CCCS)N1CCCOC1 5aed0ccd1ee8f16f71dbc686afabf335 [0,1,0,1,0,0|2,0,0]=4 10813 B12R1.30 O=C(CCCS)N1CCCSC1 5ec4a7abdb384f6660269b4a14e6a6a7 [0,1,0,1,0,0|2,0,0]=4 10814 B12R1.30 O=C(CCCS)N1CCOCC1 29a7268fa776bb1914698d171fcc483e [0,1,0,1,0,0|2,0,0]=4 10815 B12R1.30 O=C(CCCS)N1CCSCC1 da599bd3936a48fb67b0694f798e3c3d [0,1,0,1,0,0|2,0,0]=4 10816 B12R1.30 O=C(CNCF)N1CCCCC1 6c76bc684056ac2ed447c1a0fb2be0b2 [0,1,0,1,0,0|2,0,0]=4 10817 B12R1.30 O=C(CNCO)N1CCCCC1 d5056be83b805cd1b74140a0b68f5bf1 [0,1,0,1,0,0|2,0,0]=4 10818 B12R1.30 O=C(COCF)C1CCCCC1 9a642e7ac7546887ffab62376daf9391 [0,1,0,1,0,0|2,0,0]=4 10819 B12R1.30 O=C(COCF)N1CCCCC1 d97fb307f408c84592621bd410668e66 [0,1,0,1,0,0|2,0,0]=4 10820 B12R1.52 CCNC1CCCCCNC1=O 35d9c8faa8a0d710ddfcdfd3e77dc296 [0,1,0,1,0,0|1,0,0]=3 10821 B12R1.52 O=C1NCCCCCC1NCF 829e8998ebc639e946772a235aa26ff0 [0,1,0,1,0,0|2,0,0]=4 10822 B12R1.52 O=C1NCCCCCC1NCO 980b1d960de0a99786624c8c3ba3eecd [0,1,0,1,0,0|2,0,0]=4 10823 B12R1.112 CCCN1CCC(=O)CC1CO bde74919fdb49135e59b8afc4989089e [0,1,0,1,0,0|2,0,0]=4 10824 B12R1.112 CCCN1CNC(=O)CC1CO 6b9a8ddb550e91044236e8a0dda2d3e4 [0,1,0,1,0,0|2,0,0]=4 10825 B12R1.267 CCCCNC1CCCCC1=O 1f579042bd80b775702b1968f3de84f9 [0,1,0,1,0,0|2,0,0]=4 10826 B12R1.267 CCCCNC1CCCNC1=O 6f6c04d97f3fd7977058d91729ee8f70 [0,1,0,1,0,0|2,0,0]=4 10827 B12R1.267 CCCCNC1COCCC1=O e5649830f76c94e2d558c5156f74e5de [0,1,0,1,0,0|2,0,0]=4 10828 B12R1.267 CCCCNC1SCCCC1=O 50a0dc54d781158a2afc89e7266fa0d9 [0,1,0,1,0,0|2,0,0]=4 10829 B12R1.267 CCCCN[C@@H]1CCCNC1=O c127b96155ec3f8c17c3c8d2163f9301 [0,1,0,1,0,0|2,0,0]=4 10830 B12R1.267 CCCCN[C@H]1CCCNC1=O 97ca393d914a8066b535888c78eba6be [0,1,0,1,0,0|2,0,0]=4 10831 B12R1.267 CCCCOC1CCCCC1=O 9b929e3937802070516da9a8db8ff919 [0,1,0,1,0,0|2,0,0]=4 10832 B12R1.267 CCCCOC1CCCNC1=O f1de504acf4b5c03ae5b5c371f6cca84 [0,1,0,1,0,0|2,0,0]=4 10833 B12R1.267 CCCCOC1CCCOC1=O 3402da1871c1610f2f40f0fcae99a420 [0,1,0,1,0,0|2,0,0]=4 10834 B12R1.267 CCCCOC1COCCC1=O 8ad9a2573a53d0662dfc914e3c4c08da [0,1,0,1,0,0|2,0,0]=4 10835 B12R1.267 CCCCOC1SCCCC1=O f62d3ad31bb3a8b634282fa795524049 [0,1,0,1,0,0|2,0,0]=4 10836 B12R1.267 CCCCO[C@@H]1CCCNC1=O 9e6bb672ef64e85cc9c62c1704a64664 [0,1,0,1,0,0|2,0,0]=4 10837 B12R1.267 CCCCO[C@H]1CCCNC1=O 329bc2a5413b0c8b071170b6c0bca00d [0,1,0,1,0,0|2,0,0]=4 10838 B12R1.267 CCCOCC1=CCCCC1=O 013e4c3a1c1f85272d4cf98d7a8f0a87 [0,1,0,1,0,0|2,0,0]=4 10839 B12R1.267 CCCOCC1CCCCC1=O 9b81379f43d6f65d7dc1849190a709dd [0,1,0,1,0,0|2,0,0]=4 10840 B12R1.267 CCCOCC1CCCNC1=O cb3247f75703373c7a8cf11e00c5cde5 [0,1,0,1,0,0|2,0,0]=4 10841 B12R1.267 CCNCCN1CCCCC1=O 5d8a64088887206cc5e551c98e9059dd [0,1,0,1,0,0|2,0,0]=4 10842 B12R1.374 CCCCN1CC(=O)NCC1C a9a20581ac0c123f3e36d41377dcbf51 [0,1,0,1,0,0|2,0,0]=4 10843 B12R1.374 CCCCN1CC(=O)NC[C@@H]1C bcae977c45c37418f71a1a064fe39e24 [0,1,0,1,0,0|2,0,0]=4 10844 B12R1.374 CCCCN1CC(=O)NC[C@H]1C 61c58fd04412dfa7166b025173011f1c [0,1,0,1,0,0|2,0,0]=4 10845 B12R1.461 C#CCCC(=O)N1CCC1CC aff7d46a41e45ba418211a75cbc1a5e0 [0,1,0,1,0,0|1,0,1]=4 10846 B12R1.461 C/C=C/CC(=O)N1CCC1CC b55627f5a8abb225a162c851a2b09e2f [0,1,0,1,0,0|1,0,1]=4 10847 B12R1.461 C=CCCC(=O)N1CCC1CC 44aa3bebee0f67f1323c345e1b1fd0b2 [0,1,0,1,0,0|1,0,1]=4 10848 B12R1.461 CC#CCC(=O)N1CCC1CC bf048221c6ae2b5351be6a269b13883d [0,1,0,1,0,0|1,0,1]=4 10849 B12R1.461 CC/C=C/C(=O)N1CCC1CC 70427b82f2b4407804895bc42e87a013 [0,1,0,1,0,0|1,0,1]=4 10850 B12R1.461 CC/C=C\C(=O)N1CCC1CC f85ca426973876f2b0029848132d58df [0,1,0,1,0,0|1,0,1]=4 10851 B12R1.461 CCC#CC(=O)N1CCC1CC 6573e9d405c05e223f870e328d95078d [0,1,0,1,0,0|1,0,1]=4 10852 B12R1.461 CCC1CCN1C(=O)CCC#N cca4affd6e5fb50e32a048404049edf3 [0,1,0,1,0,0|1,0,1]=4 10853 B12R1.461 CCC1CCN1C(=O)CCC=O f5702d4895adade86fa2eca3faaa632b [0,1,0,1,0,0|1,0,1]=4 10854 B12R1.461 CCC1CCN1C(=O)CCCF 545c68695636a874e6d1079774b210bc [0,1,0,1,0,0|1,0,0]=3 10855 B12R1.461 CCC1CCN1C(=O)CCCS 7dc3b4450b1c7a0180825df975f227ed [0,1,0,1,0,0|1,0,0]=3 10856 B12R1.461 CCC1CCN1C(=O)CCOC f071146793c665de56f3df9a99a2b33c [0,1,0,1,0,0|1,0,0]=3 10857 B12R1.461 CCC1CCN1C(=O)CCSC dd3b1c7f25d6ba77ae9b1f99c66c8268 [0,1,0,1,0,0|1,0,0]=3 10858 B12R1.461 CCC1CCN1C(=O)CSSC 2fb1afc93fbf1934a822e7066d4017f7 [0,1,0,1,0,0|2,0,0]=4 10859 B12R1.461 CCC1CCN1C(=O)NCCF e652519d537cd13ea747934597a65521 [0,1,0,1,0,0|2,0,0]=4 10860 B12R1.461 CCC1CCN1C(=O)NCCN 17da16bf26defc0a80211573b884d0c4 [0,1,0,1,0,0|2,0,0]=4 10861 B12R1.461 CCC1CCN1C(=O)NCCO 1a954a1810db150881b2a4d2b90b7492 [0,1,0,1,0,0|2,0,0]=4 10862 B12R1.461 CCC1CCN1C(=O)NCCS 40f134f7189b926a325708cc7edcc3db [0,1,0,1,0,0|2,0,0]=4 10863 B12R1.461 CCC=CC(=O)N1CCC1CC db4060805db57714166885a24e56490c [0,1,0,1,0,0|1,0,1]=4 10864 B12R1.461 CCCCC(=O)N1CCC1CC e4dad2be972f5b43fc5990bed70296fa [0,1,0,1,0,0|1,0,0]=3 10865 B12R1.461 CCCCC(=O)N1CCC1CO bc262518ef0f9a6692145a3ba6e8eb42 [0,1,0,1,0,0|2,0,0]=4 10866 B12R1.461 CCCCC(=O)N1CC[C@@H]1CO 612179204f3f36a2b4da3b95c469ffc6 [0,1,0,1,0,0|2,0,0]=4 10867 B12R1.461 CCCCC(=O)N1CC[C@H]1CO 2d7b27986f31b34e7ecaebe74119affa [0,1,0,1,0,0|2,0,0]=4 10868 B12R1.461 CCCNC(=O)N1CCC1CC 634d358c7d2b11a8327178ff0dcc1684 [0,1,0,1,0,0|1,0,0]=3 10869 B12R1.461 CCCNC(=O)N1CCC1CO a944b52c4123c2ef30319465a918ea53 [0,1,0,1,0,0|2,0,0]=4 10870 B12R1.461 CCCNC(=O)N1CC[C@@H]1CO 91b34b5123243f630d335653e3822b56 [0,1,0,1,0,0|2,0,0]=4 10871 B12R1.461 CCCNC(=O)N1CC[C@H]1CO 4077b1aae34124de04f38cd2d334ee93 [0,1,0,1,0,0|2,0,0]=4 10872 B12R1.461 CCCNC(=O)[C@@H]1CCN1CC dff3fb1c49bf60bed671a805f8872ec3 [0,1,0,1,0,0|2,0,0]=4 10873 B12R1.461 CCCNC(=S)N1CCC1CC 9c44a7dc6ee2503f99f9223c7a8756be [0,1,0,1,0,0|1,1,0]=4 10874 B12R1.461 CCOCC(=O)N1CCC1CC fb27e999b8481382f02cb6899e9cd33d [0,1,0,1,0,0|1,0,0]=3 10875 B12R1.461 CCOCC(=O)N1CCC1CO 5dbf1129c4b31e4b9be9eb0e7eea30ae [0,1,0,1,0,0|2,0,0]=4 10876 B12R1.461 CCOCC(=O)N1CC[C@@H]1CO 324f8910277397c4fe602e1c655f36b2 [0,1,0,1,0,0|2,0,0]=4 10877 B12R1.461 CCOCC(=O)N1CC[C@H]1CO fc5bf56faa56af9e1dfdcd8bc63d7690 [0,1,0,1,0,0|2,0,0]=4 10878 B12R1.461 CCSCC(=O)N1CCC1CC b3c74384b7aeaf34d442822538d486d6 [0,1,0,1,0,0|1,0,0]=3 10879 B12R1.461 CCSCC(=O)N1CCC1CO 29825db31255149e2f40c531407c1bf8 [0,1,0,1,0,0|2,0,0]=4 10880 B12R1.461 CCSCC(=O)N1CC[C@@H]1CO 3dfb016bbbedb6e1b28abf6cb215e02c [0,1,0,1,0,0|2,0,0]=4 10881 B12R1.461 CCSCC(=O)N1CC[C@H]1CO 8f394e9a06f5b7f008191279b4f29344 [0,1,0,1,0,0|2,0,0]=4 10882 B12R1.461 COCCC(=O)N1CCC1CO 266e783f9257b206e22b48214c1664eb [0,1,0,1,0,0|2,0,0]=4 10883 B12R1.461 COCCC(=O)N1CC[C@@H]1CO 5feffbda747e8f44aa7a99638b0c63fe [0,1,0,1,0,0|2,0,0]=4 10884 B12R1.461 COCCC(=O)N1CC[C@H]1CO a9049ae76ceb9c0682c87bf79c860fc1 [0,1,0,1,0,0|2,0,0]=4 10885 B12R1.461 CSCCC(=O)N1CCC1CO 210a36b3f3b99a3badcd07dfe3e5b73f [0,1,0,1,0,0|2,0,0]=4 10886 B12R1.461 CSCCC(=O)N1CC[C@@H]1CO 5cab9b715a54b62a75d59583e00756d9 [0,1,0,1,0,0|2,0,0]=4 10887 B12R1.461 CSCCC(=O)N1CC[C@H]1CO ca4cd587f36f47a81fbc39c916adb36d [0,1,0,1,0,0|2,0,0]=4 10888 B12R1.461 O=C(CCCF)N1CCC1CO 863cfce5940056270d1bcc2de9011de8 [0,1,0,1,0,0|2,0,0]=4 10889 B12R1.461 O=C(CCCF)N1CC[C@@H]1CO 0e5f7eb0deeb8caa45b6696946d89ee5 [0,1,0,1,0,0|2,0,0]=4 10890 B12R1.461 O=C(CCCF)N1CC[C@H]1CO 3745d9e0afd52049975e9378251dd66f [0,1,0,1,0,0|2,0,0]=4 10891 B12R1.461 O=C(CCCS)N1CCC1CO bf6d970e2bc74ff34abe3e04ae9ba897 [0,1,0,1,0,0|2,0,0]=4 10892 B12R1.461 O=C(CCCS)N1CC[C@@H]1CO 56933038f4bfc64b3c71bb889b33ae66 [0,1,0,1,0,0|2,0,0]=4 10893 B12R1.461 O=C(CCCS)N1CC[C@H]1CO 978d9eca7bbecc04243162de357aa2ba [0,1,0,1,0,0|2,0,0]=4 10894 B12R1.463 C#CCCC(=O)NCC1CCC1 3de6a07e273ce7d001f1e06f46de9f5d [0,1,0,1,0,0|1,0,1]=4 10895 B12R1.463 C/C=C/CC(=O)NCC1CCC1 7fd57b75aa039a4e77e831a0bc87b532 [0,1,0,1,0,0|1,0,1]=4 10896 B12R1.463 C=CCCC(=O)NCC1CCC1 0376e12114a0481df299de078acb8581 [0,1,0,1,0,0|1,0,1]=4 10897 B12R1.463 CC#CCC(=O)NCC1CCC1 6459cc6f19f9a0f57c7b60833bfe45b0 [0,1,0,1,0,0|1,0,1]=4 10898 B12R1.463 CC/C=C/C(=O)NCC1CCC1 ce01aa70b5b09e482e89420fc78c3afc [0,1,0,1,0,0|1,0,1]=4 10899 B12R1.463 CC/C=C\C(=O)NCC1CCC1 d564b48c6000e143a9e1d48a73800a15 [0,1,0,1,0,0|1,0,1]=4 10900 B12R1.463 CCC#CC(=O)NCC1CCC1 af6ca909863377752354800e3cb87346 [0,1,0,1,0,0|1,0,1]=4 10901 B12R1.463 CCC=CC(=O)NCC1CCC1 a25507352476ae9c41f0a793337e89ec [0,1,0,1,0,0|1,0,1]=4 10902 B12R1.463 CCCCC(=O)NCC1CCC1 837d5edf6ff5895d223cac23d3f6a0b1 [0,1,0,1,0,0|1,0,0]=3 10903 B12R1.463 CCCCC(=O)NCC1CCO1 96b15e76e76b9d2796080949aec5b5f5 [0,1,0,1,0,0|2,0,0]=4 10904 B12R1.463 CCCCC(=O)NCC1COC1 94644e1eb3d2aa30cf9e3a2e748b046e [0,1,0,1,0,0|2,0,0]=4 10905 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 64196eeddbabe38738c525466f4abdc7 [0,1,0,1,0,0|2,0,0]=4 10906 B12R1.463 CCCCC(=O)NC[C@H]1CCO1 f9383e72ece39bd8abbc96006bf26b2a [0,1,0,1,0,0|2,0,0]=4 10907 B12R1.463 CCCCC(=O)OCN1CCC1 7cd2f5991bec06bfe0baf55a37c781bb [0,1,0,1,0,0|1,0,0]=3 10908 B12R1.463 CCCCC(C)OCC1CCC1 4550064ff9be72e1bd37596eb8629d82 [0,1,0,1,0,0|1,0,1]=4 10909 B12R1.463 CCCC[C@@H](C)OCC1CCC1 6e76aa8b0a91d9b11c40680ec3f05357 [0,1,0,1,0,0|1,0,1]=4 10910 B12R1.463 CCCC[C@H](C)OCC1CCC1 2ae1d9977f67478f125a380deffd2096 [0,1,0,1,0,0|1,0,1]=4 10911 B12R1.463 CCCNC(=O)/C=C/C1CCC1 cb5a2a8d016374d71c7db71843aeb212 [0,1,0,1,0,0|1,0,1]=4 10912 B12R1.463 CCCNC(=O)C#CC1CCC1 d28e0316edf2762f3279d9fb83fa7a9c [0,1,0,1,0,0|1,0,1]=4 10913 B12R1.463 CCCNC(=O)CCC1CCC1 f7ae54913b0cc8af19a8869ec6035315 [0,1,0,1,0,0|1,0,0]=3 10914 B12R1.463 CCCNC(=O)CCN1CCC1 9526ecd4f4c1e265986277f9f00ee0a3 [0,1,0,1,0,0|2,0,0]=4 10915 B12R1.463 CCCNC(=O)CNC1CCC1 1419f69ccec43431a876dba7669067fc [0,1,0,1,0,0|2,0,0]=4 10916 B12R1.463 CCCNC(=O)COC1CCC1 7484a12ddf79c1a84d267f114383f169 [0,1,0,1,0,0|2,0,0]=4 10917 B12R1.463 CCCNC(=O)NCC1CCC1 fd91800e3208c3383e3d240521b4f1a6 [0,1,0,1,0,0|1,0,0]=3 10918 B12R1.463 CCCNC(=O)NCC1CCO1 beaa1d4a6e9ba85ca8e708867d13ec41 [0,1,0,1,0,0|2,0,0]=4 10919 B12R1.463 CCCNC(=O)NCC1COC1 7a42ba3d27f018b9a071a6477eca2a11 [0,1,0,1,0,0|2,0,0]=4 10920 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 8db9326a2439d424641536aba5022789 [0,1,0,1,0,0|2,0,0]=4 10921 B12R1.463 CCCNC(=O)NC[C@H]1CCO1 303c16e042a7fa0ba380be55e30d8064 [0,1,0,1,0,0|2,0,0]=4 10922 B12R1.463 CCCNC(=S)NCC1CCC1 ffa585e3e675f3bcdbc00bf689cb5c0b [0,1,0,1,0,0|1,1,0]=4 10923 B12R1.463 CCCOC(=O)CNC1CCC1 ab05365432c9e3c6cab3825d1451d035 [0,1,0,1,0,0|2,0,0]=4 10924 B12R1.463 CCCOC(=O)COC1CCC1 9f45e0d46d80b29f8c56a8aa427424a0 [0,1,0,1,0,0|2,0,0]=4 10925 B12R1.463 CCCOC(=O)OCN1CCC1 84d272c180577cdf42da980795300dbd [0,1,0,1,0,0|1,0,0]=3 10926 B12R1.463 CCOCC(=O)NCC1CCC1 700a844adc50861145381ee6f729872d [0,1,0,1,0,0|1,0,0]=3 10927 B12R1.463 CCOCC(=O)NCC1CCO1 5e826ab265df166daa0f2ccd9e81f095 [0,1,0,1,0,0|2,0,0]=4 10928 B12R1.463 CCOCC(=O)NCC1COC1 b39db728efac2195332fb6ed0de4f247 [0,1,0,1,0,0|2,0,0]=4 10929 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 6c638578b2368f32e2cb60bc3eb9d36e [0,1,0,1,0,0|2,0,0]=4 10930 B12R1.463 CCOCC(=O)NC[C@H]1CCO1 0f3303f06008c13ab85323ec97854bc2 [0,1,0,1,0,0|2,0,0]=4 10931 B12R1.463 CCOCC(C)OCC1CCC1 63971bf8ae4a1762e0a74d05a1edec88 [0,1,0,1,0,0|1,0,1]=4 10932 B12R1.463 CCSCC(=O)NCC1CCC1 af685950ba190867295854beff4ef052 [0,1,0,1,0,0|1,0,0]=3 10933 B12R1.463 CCSCC(=O)NCC1CCO1 6c52f5d80fe71cba692908f754d847c6 [0,1,0,1,0,0|2,0,0]=4 10934 B12R1.463 CCSCC(=O)NCC1COC1 a5ec395ff64bee8da680ffdded085021 [0,1,0,1,0,0|2,0,0]=4 10935 B12R1.463 CCSCC(=O)NC[C@@H]1CCO1 a69b0a435408554261f46bd8968a1dde [0,1,0,1,0,0|2,0,0]=4 10936 B12R1.463 CCSCC(=O)NC[C@H]1CCO1 5b50d4ab6dddc78f0738b32ae217fd90 [0,1,0,1,0,0|2,0,0]=4 10937 B12R1.463 COCCC(=O)NCC1CCC1 54fb2b1c86c709984bec93f34e879a5e [0,1,0,1,0,0|1,0,0]=3 10938 B12R1.463 COCCC(=O)NCC1CCO1 369f86b4c1778e97b8aeb72adb661fbe [0,1,0,1,0,0|2,0,0]=4 10939 B12R1.463 COCCC(=O)NCC1COC1 475d6895c908c00326ef0fd303a46aba [0,1,0,1,0,0|2,0,0]=4 10940 B12R1.463 COCCC(=O)NC[C@@H]1CCO1 8c507bc6c901e8ba8c72df4af7d513f5 [0,1,0,1,0,0|2,0,0]=4 10941 B12R1.463 COCCC(=O)NC[C@H]1CCO1 24e3c73a7958e90d2c1a9c4a56b14c20 [0,1,0,1,0,0|2,0,0]=4 10942 B12R1.463 COCCC(C)OCC1CCC1 d509c30b56097ad682ae81eac757f8ba [0,1,0,1,0,0|1,0,1]=4 10943 B12R1.463 CSCCC(=O)CNC1CCC1 655f0d2567959c07c26c34c5ede58f41 [0,1,0,1,0,0|2,0,0]=4 10944 B12R1.463 CSCCC(=O)COC1CCC1 910cdcdaf422702fb6552f2dae2449ce [0,1,0,1,0,0|2,0,0]=4 10945 B12R1.463 CSCCC(=O)NCC1CCC1 12ad1374010d1b24123ca9bb84411188 [0,1,0,1,0,0|1,0,0]=3 10946 B12R1.463 CSCCC(=O)NCC1CCO1 502da1a9a497ad9e4f7b818992918a6e [0,1,0,1,0,0|2,0,0]=4 10947 B12R1.463 CSCCC(=O)NCC1COC1 295250e20e76c612fda4d93a218ef309 [0,1,0,1,0,0|2,0,0]=4 10948 B12R1.463 CSCCC(=O)NC[C@@H]1CCO1 60eeb4317679a3ba7194804ce58a34e0 [0,1,0,1,0,0|2,0,0]=4 10949 B12R1.463 CSCCC(=O)NC[C@H]1CCO1 87f5a77375c1a5d337d9da37bf3d9d1f [0,1,0,1,0,0|2,0,0]=4 10950 B12R1.463 CSCCC(C)OCC1CCC1 b22abddb3ebf2cb9bfe5f27ae22062c0 [0,1,0,1,0,0|1,0,1]=4 10951 B12R1.463 CSSCC(=O)NCC1CCC1 5e31945d47d3b02b26aa4d0820aa53a1 [0,1,0,1,0,0|2,0,0]=4 10952 B12R1.463 N#CCCC(=O)NCC1CCC1 97c130c54d01cc5b3c88586f95208fca [0,1,0,1,0,0|1,0,1]=4 10953 B12R1.463 NCCNC(=O)NCC1CCC1 9a5d373e0a6a69b5293d2f9b674d07dd [0,1,0,1,0,0|2,0,0]=4 10954 B12R1.463 O=C(CCC1CCC1)NCCF 1b15c82c7fbc6b9d0971fded133aa300 [0,1,0,1,0,0|2,0,0]=4 10955 B12R1.463 O=C(CCC1CCC1)NCCI 05fec93410b72164ae03796a3fdf5a91 [0,1,0,1,0,0|2,0,0]=4 10956 B12R1.463 O=C(CCC1CCC1)NCCO 9071be662f83f8047256625a0301a127 [0,1,0,1,0,0|2,0,0]=4 10957 B12R1.463 O=C(CCC1CCC1)NCCS 4707699906dcd7791608b793df07b569 [0,1,0,1,0,0|2,0,0]=4 10958 B12R1.463 O=C(CCCF)NCC1CCC1 65962c60d03ac295113fc99693de6864 [0,1,0,1,0,0|1,0,0]=3 10959 B12R1.463 O=C(CCCF)NCC1CCO1 5cf6dd8b94f59854269066ec51280433 [0,1,0,1,0,0|2,0,0]=4 10960 B12R1.463 O=C(CCCF)NCC1COC1 1d2a5b24781555637917c97655e50337 [0,1,0,1,0,0|2,0,0]=4 10961 B12R1.463 O=C(CCCF)NC[C@@H]1CCO1 96048f12e72e98f203a9a8f506a1aaa2 [0,1,0,1,0,0|2,0,0]=4 10962 B12R1.463 O=C(CCCF)NC[C@H]1CCO1 b4a31604d047ed1d668b406726e5706f [0,1,0,1,0,0|2,0,0]=4 10963 B12R1.463 O=C(CCCS)NCC1CCC1 d2b3d084997776bef684affccaa9391c [0,1,0,1,0,0|1,0,0]=3 10964 B12R1.463 O=C(CCCS)NCC1CCO1 de524fd1040370f5f8a9daa1b3e64ac3 [0,1,0,1,0,0|2,0,0]=4 10965 B12R1.463 O=C(CCCS)NCC1COC1 c865730ffab6774e7a5a2f29b168425c [0,1,0,1,0,0|2,0,0]=4 10966 B12R1.463 O=C(CCCS)NC[C@@H]1CCO1 6ab774a3d8fcbd4d57caa9d38b6920df [0,1,0,1,0,0|2,0,0]=4 10967 B12R1.463 O=C(CCCS)NC[C@H]1CCO1 fef02ed8c47ce2ee0200fde624bd1957 [0,1,0,1,0,0|2,0,0]=4 10968 B12R1.463 O=C(NCCF)NCC1CCC1 0b4c8bd93bcfc5bce43539be1f9253ff [0,1,0,1,0,0|2,0,0]=4 10969 B12R1.463 O=C(NCCO)NCC1CCC1 0de49e1d3bd35cf6230baee469b08a3c [0,1,0,1,0,0|2,0,0]=4 10970 B12R1.463 O=C(NCCS)NCC1CCC1 e068ad477c83ab3b47d700ab10101c06 [0,1,0,1,0,0|2,0,0]=4 10971 B12R1.463 O=CCCC(=O)NCC1CCC1 42b3ac5dc6b30091ce630677afc7182b [0,1,0,1,0,0|1,0,1]=4 10972 B12R1.464 C#CCCC(=O)NCCC1CC1 99db551e9be3b2707ca91464628c0268 [0,1,0,1,0,0|1,0,1]=4 10973 B12R1.464 C/C=C/CC(=O)NCCC1CC1 2f27924e4753526a444b178b64d6cb1d [0,1,0,1,0,0|1,0,1]=4 10974 B12R1.464 C=CCCC(=O)NCCC1CC1 cd7975ee013236d483af014dc7037121 [0,1,0,1,0,0|1,0,1]=4 10975 B12R1.464 CC#CCC(=O)NCCC1CC1 6271f215ec902b7d51594abbfdef8857 [0,1,0,1,0,0|1,0,1]=4 10976 B12R1.464 CC/C=C/C(=O)NCCC1CC1 0a01a6cb7d73f0172de7529d40696d94 [0,1,0,1,0,0|1,0,1]=4 10977 B12R1.464 CC/C=C\C(=O)NCCC1CC1 950560d23f81ce4c4bd6fa6e19ff8090 [0,1,0,1,0,0|1,0,1]=4 10978 B12R1.464 CCC#CC(=O)NCCC1CC1 3aaec3d70063dc068f66e2e59a5e0db2 [0,1,0,1,0,0|1,0,1]=4 10979 B12R1.464 CCC=CC(=O)NCCC1CC1 678f54cf44374fefe0de456fcd600ba1 [0,1,0,1,0,0|1,0,1]=4 10980 B12R1.464 CCCCC(=O)NCCC1CC1 ad968fdec4d052e5613d4ba300f20332 [0,1,0,1,0,0|1,0,0]=3 10981 B12R1.464 CCCCC(=O)NCCN1CC1 6d3dd88b5beb6dbcfd5a75043af0dcc0 [0,1,0,1,0,0|2,0,0]=4 10982 B12R1.464 CCCCC(=O)OCNC1CC1 32936cde5d52dbf687757e2724987d2d [0,1,0,1,0,0|1,0,0]=3 10983 B12R1.464 CCCCC(=O)OCOC1CC1 62f57097065184062c6371adddfab550 [0,1,0,1,0,0|1,0,0]=3 10984 B12R1.464 CCCCC(C)OCCC1CC1 8390dbee1e747e1390a6336d7ce7d58c [0,1,0,1,0,0|1,0,1]=4 10985 B12R1.464 CCCC[C@@H](C)OCCC1CC1 167b40672e09b0cca7ffa217f13f3522 [0,1,0,1,0,0|1,0,1]=4 10986 B12R1.464 CCCC[C@H](C)OCCC1CC1 5031e862154f1d61e3ea1dfe3087a0e6 [0,1,0,1,0,0|1,0,1]=4 10987 B12R1.464 CCCNC(=O)CCCC1CC1 8632f5c4f2587a22796c49da1d1e8ad6 [0,1,0,1,0,0|1,0,0]=3 10988 B12R1.464 CCCNC(=O)CNCC1CC1 70c72426ee6673bba1a1ae4abe6325c3 [0,1,0,1,0,0|2,0,0]=4 10989 B12R1.464 CCCNC(=O)COCC1CC1 84047463bb0568e00124dd25005eb738 [0,1,0,1,0,0|2,0,0]=4 10990 B12R1.464 CCCNC(=O)CSCC1CC1 3b4bc72992c5700e31f5116538eb61ba [0,1,0,1,0,0|2,0,0]=4 10991 B12R1.464 CCCNC(=O)NCCC1CC1 1113f430506a1b577bbcc4ccdf8958ae [0,1,0,1,0,0|1,0,0]=3 10992 B12R1.464 CCCNC(=O)NCCN1CC1 552d46747516cbe3809f8fac04113a29 [0,1,0,1,0,0|2,0,0]=4 10993 B12R1.464 CCCNC(=S)NCCC1CC1 50d8a77c5e6a6b6ac4ffdade4621f95c [0,1,0,1,0,0|1,1,0]=4 10994 B12R1.464 CCCOC(=O)CCOC1CC1 dde870784c6580b27b49e36c42b4c02e [0,1,0,1,0,0|2,0,0]=4 10995 B12R1.464 CCCOC(=O)CNCC1CC1 dd0d6fb12c5ae2ba7aab15279765034a [0,1,0,1,0,0|2,0,0]=4 10996 B12R1.464 CCCOC(=O)COCC1CC1 79caba3dd96d33bd35e1d71408bcbc2b [0,1,0,1,0,0|2,0,0]=4 10997 B12R1.464 CCCOC(=O)OCNC1CC1 0c0d200df95cae8f991366d3339beb39 [0,1,0,1,0,0|1,0,0]=3 10998 B12R1.464 CCCOC(=O)OCOC1CC1 3514334f763ce30a34dbe30741258431 [0,1,0,1,0,0|1,0,0]=3 10999 B12R1.464 CCOCC(=O)NCCC1CC1 790bf9d4906cce0435c16db067677b43 [0,1,0,1,0,0|1,0,0]=3 11000 B12R1.464 CCOCC(=O)NCCN1CC1 4a577a892c102d6e58fb48f791b285ff [0,1,0,1,0,0|2,0,0]=4 11001 B12R1.464 CCOCC(C)OCCC1CC1 b7a47359f76e5255430fedb2e6203911 [0,1,0,1,0,0|1,0,1]=4 11002 B12R1.464 CCSCC(=O)NCCC1CC1 496c03dbac218b11791df43d00bf3c61 [0,1,0,1,0,0|1,0,0]=3 11003 B12R1.464 CCSCC(=O)NCCN1CC1 3f5a1e4839e92db11c93e149472000ea [0,1,0,1,0,0|2,0,0]=4 11004 B12R1.464 COCCC(=O)NCCC1CC1 fb75db8a03d609761ea122e54b27e9f7 [0,1,0,1,0,0|1,0,0]=3 11005 B12R1.464 COCCC(=O)NCCN1CC1 b4f9e37df670abffff06e0fae98b50f0 [0,1,0,1,0,0|2,0,0]=4 11006 B12R1.464 COCCC(C)OCCC1CC1 80eba9ddd4a29161df601a1c8b222302 [0,1,0,1,0,0|1,0,1]=4 11007 B12R1.464 CSCCC(=O)CNCC1CC1 e0ba44d7a2adcd376e884e3d91116036 [0,1,0,1,0,0|2,0,0]=4 11008 B12R1.464 CSCCC(=O)COCC1CC1 b74faea54a6dbaa35706b79b62fc35b0 [0,1,0,1,0,0|2,0,0]=4 11009 B12R1.464 CSCCC(=O)NCCC1CC1 8f8e6b6de542e277e39c335c256cd0ce [0,1,0,1,0,0|1,0,0]=3 11010 B12R1.464 CSCCC(=O)NCCN1CC1 d11bf1ce6c3c8eb9fd3924a143e2a8e5 [0,1,0,1,0,0|2,0,0]=4 11011 B12R1.464 CSCCC(C)OCCC1CC1 674c1ca2774aec62817c1a8e4d9638df [0,1,0,1,0,0|1,0,1]=4 11012 B12R1.464 CSSCC(=O)NCCC1CC1 083465feb284c8137462667188c58929 [0,1,0,1,0,0|2,0,0]=4 11013 B12R1.464 N#CCCC(=O)NCCC1CC1 826d387f95e004985aa43eab526894df [0,1,0,1,0,0|1,0,1]=4 11014 B12R1.464 NCCNC(=O)NCCC1CC1 34e4e0c150c1139c9030ecb6b038c784 [0,1,0,1,0,0|2,0,0]=4 11015 B12R1.464 O=C(CCCC1CC1)NCCBr b9ec8f71f807df83cf2e4eb77ee19366 [0,1,0,1,0,0|2,0,0]=4 11016 B12R1.464 O=C(CCCC1CC1)NCCF 7b92784507f3ad87bdf7625602defae7 [0,1,0,1,0,0|2,0,0]=4 11017 B12R1.464 O=C(CCCC1CC1)NCCI 2ec40641acd63bd8bbd3a8a54bb852a1 [0,1,0,1,0,0|2,0,0]=4 11018 B12R1.464 O=C(CCCC1CC1)NCCO c85e8ab7a2a7575d98185cb827a323a5 [0,1,0,1,0,0|2,0,0]=4 11019 B12R1.464 O=C(CCCC1CC1)NCCS d7c7d560765bec0f458d791e14f98bf9 [0,1,0,1,0,0|2,0,0]=4 11020 B12R1.464 O=C(CCCF)NCCC1CC1 f19fb4c8e476d45adebc772af87ebc2d [0,1,0,1,0,0|1,0,0]=3 11021 B12R1.464 O=C(CCCF)NCCN1CC1 4ba09d2f946a61afe96165943573702d [0,1,0,1,0,0|2,0,0]=4 11022 B12R1.464 O=C(CCCS)NCCC1CC1 58ceaf1d8b33300e374d34ad0ad09f0e [0,1,0,1,0,0|1,0,0]=3 11023 B12R1.464 O=C(CCCS)NCCN1CC1 e9fc750b88ff021293a0b6dc5691c92e [0,1,0,1,0,0|2,0,0]=4 11024 B12R1.464 O=C(NCCF)NCCC1CC1 8a4e9fc1504361323a21ae106dcd0570 [0,1,0,1,0,0|2,0,0]=4 11025 B12R1.464 O=C(NCCO)NCCC1CC1 21115f0f495f05539d1d0e38c1582ec4 [0,1,0,1,0,0|2,0,0]=4 11026 B12R1.464 O=C(NCCS)NCCC1CC1 3df66a1da41d401727de47e040c928b3 [0,1,0,1,0,0|2,0,0]=4 11027 B12R1.464 O=CCCC(=O)NCCC1CC1 7f5b5986be8d21bd6418827542b6cdf7 [0,1,0,1,0,0|1,0,1]=4 11028 B12R1.549 CCCCC(C)OCC1CC1C a0e1b538f556ba8c611a2524c5b18adf [0,1,0,1,0,0|1,0,1]=4 11029 B12R1.549 CCCCC(C)OC[C@@H]1C[C@@H]1C 792df62751f8c9891f9e6aad6d7b5658 [0,1,0,1,0,0|1,0,1]=4 11030 B12R1.549 CCCCC(C)OC[C@@H]1C[C@H]1C 76680b461502eedc7e46294aed1865fc [0,1,0,1,0,0|1,0,1]=4 11031 B12R1.549 CCCCC(C)OC[C@H]1C[C@@H]1C d0ea1cd804c8932f1c0d2193bb70be25 [0,1,0,1,0,0|1,0,1]=4 11032 B12R1.549 CCCNC(=O)CNC1CC1C b27568d99189466fd627a86076628613 [0,1,0,1,0,0|2,0,0]=4 11033 B12R1.549 CCCOC(=O)CNC1CC1C e6686344ca051c7b1f0ddd710a94338c [0,1,0,1,0,0|2,0,0]=4 11034 B12R1.549 CSCCC(=O)CNC1CC1C 9c3983de61406433b774164e54096ca3 [0,1,0,1,0,0|2,0,0]=4 11035 B12R1.561 CCCC/C=C/C(=O)N1CCC1 69625ab765cb60885cad3b48261aac70 [0,1,0,1,0,0|1,0,1]=4 11036 B12R1.561 CCCCC#CC(=O)N1CCC1 1f0690b707a5256feb6451e0ff08c686 [0,1,0,1,0,0|1,0,1]=4 11037 B12R1.561 CCCCC=CC(=O)N1CCC1 e821d485d4b6a82abd5e635d142b8995 [0,1,0,1,0,0|1,0,1]=4 11038 B12R1.561 CCCCCCC(=O)N1CCC1 ec3a17393b3583fd2814dddf5a17342a [0,1,0,1,0,0|1,0,0]=3 11039 B12R1.561 CCCCCNC(=O)C1=CCC1 305b0e98d80709897bda56158ea16cd8 [0,1,0,1,0,0|1,0,1]=4 11040 B12R1.561 CCCCCNC(=O)C1CCO1 7d81fb77256371f22b927bca0d5b2333 [0,1,0,1,0,0|1,0,0]=3 11041 B12R1.561 CCCCCNC(=O)N1CCC1 a9eec914df33ad4afccb2b4b14aaf8a2 [0,1,0,1,0,0|1,0,0]=3 11042 B12R1.561 CCCCCNC(=O)[C@@H]1CCO1 45fa6cb2be358d053ae5b8104f37fc0c [0,1,0,1,0,0|1,0,0]=3 11043 B12R1.561 CCCCCNC(=O)[C@H]1CCO1 c1418d369da68a9720b0f4e2e5c94820 [0,1,0,1,0,0|1,0,0]=3 11044 B12R1.561 CCCCCNC(=S)N1CCC1 e18b6809642b80d16a6d42ce81120907 [0,1,0,1,0,0|1,1,0]=4 11045 B12R1.561 CCCCCOC(C)C1CCC1 1e984641539b9b6b372e7a73c1675857 [0,1,0,1,0,0|1,0,1]=4 11046 B12R1.561 CCCCCOC(C)C1COC1 0c897a703139569ff2142221b52f6bcf [0,1,0,1,0,0|1,0,1]=4 11047 B12R1.561 CCCCCO[C@@H](C)C1CCC1 118c540181514ef268d07e355253c93c [0,1,0,1,0,0|1,0,1]=4 11048 B12R1.561 CCCCCO[C@@H](C)C1COC1 da43f2bf3b548f9b72d9f2667db2667a [0,1,0,1,0,0|1,0,1]=4 11049 B12R1.561 CCCCCO[C@H](C)C1COC1 10a9ad60af45e7160f225c9008037f12 [0,1,0,1,0,0|1,0,1]=4 11050 B12R1.561 CCCCNCC(=O)C1CCC1 8986fd857f415a2d4341ff94ab394153 [0,1,0,1,0,0|2,0,0]=4 11051 B12R1.561 CCCCNCC(=O)N1CCC1 9fd74ce86624129007123515704ef923 [0,1,0,1,0,0|2,0,0]=4 11052 B12R1.561 CCCCOCC(=O)C1CCC1 483d1c3f1e1ce125691fede0e66ef43e [0,1,0,1,0,0|2,0,0]=4 11053 B12R1.561 CCCCOCC(=O)N1CCC1 8f1e01f50039219590e37963e10c495d [0,1,0,1,0,0|2,0,0]=4 11054 B12R1.561 CCCCSCC(=O)N1CCC1 993b4fe574685e50f6b591d34b65b907 [0,1,0,1,0,0|2,0,0]=4 11055 B12R1.561 CCCNCCC(=O)N1CCC1 9a113718a755ddd8bde03b750fa1dd83 [0,1,0,1,0,0|2,0,0]=4 11056 B12R1.561 CCCOCCC(=O)N1CCC1 f930d4f024c99e19bcdebb25e2481903 [0,1,0,1,0,0|2,0,0]=4 11057 B12R1.561 CCOCCNC(=O)C1CCO1 09ea12e44f0ae6ec2c6553c34363400d [0,1,0,1,0,0|2,0,0]=4 11058 B12R1.561 CCOCCNC(=O)N1CCC1 36259ecf42b63dd74fa28b8c8ad18992 [0,1,0,1,0,0|2,0,0]=4 11059 B12R1.561 CCOCCNC(=O)[C@@H]1CCO1 fe0c489616b8a019205ea93904889e0f [0,1,0,1,0,0|2,0,0]=4 11060 B12R1.561 CCOCCNC(=O)[C@H]1CCO1 0ca78c51431af579783d402047ae9d9b [0,1,0,1,0,0|2,0,0]=4 11061 B12R1.561 CCSCCNC(=O)C1CCO1 9b683b8eb195b2ca6cd26f82e7429c97 [0,1,0,1,0,0|2,0,0]=4 11062 B12R1.561 CCSCCNC(=O)N1CCC1 ad73ac40e458eafa564db4d74746e1c0 [0,1,0,1,0,0|2,0,0]=4 11063 B12R1.561 CCSCCNC(=O)[C@@H]1CCO1 a45cb993eec3e3c6ddc56d23beb40099 [0,1,0,1,0,0|2,0,0]=4 11064 B12R1.561 CCSCCNC(=O)[C@H]1CCO1 083aac7d680ff89d5079ab40fd10359a [0,1,0,1,0,0|2,0,0]=4 11065 B12R1.561 COCCCNC(=O)C1CCO1 50c9dc9254b6ccfba56b65835ac20a70 [0,1,0,1,0,0|2,0,0]=4 11066 B12R1.561 COCCCNC(=O)N1CCC1 b100ff1781aa1be2d323bcad1dd62e31 [0,1,0,1,0,0|2,0,0]=4 11067 B12R1.561 COCCCNC(=O)[C@@H]1CCO1 77a631762fb7262ecb17380d1c53f1ed [0,1,0,1,0,0|2,0,0]=4 11068 B12R1.561 COCCCNC(=O)[C@H]1CCO1 d77204b673a2d696d3e46a50fa794bbe [0,1,0,1,0,0|2,0,0]=4 11069 B12R1.561 CSCCCNC(=O)C1CCO1 2a5b02000b72e9379b290d3c34253b53 [0,1,0,1,0,0|2,0,0]=4 11070 B12R1.561 CSCCCNC(=O)N1CCC1 b96ed3bfb3231c458e09521780b4a50b [0,1,0,1,0,0|2,0,0]=4 11071 B12R1.561 CSCCCNC(=O)[C@@H]1CCO1 e2b5cbf1dd0ce5676cec7ca649ccfe52 [0,1,0,1,0,0|2,0,0]=4 11072 B12R1.561 CSCCCNC(=O)[C@H]1CCO1 b14c4f0c5c5634413c5197cac2b90b49 [0,1,0,1,0,0|2,0,0]=4 11073 B12R1.561 NCCCCNC(=O)N1CCC1 f021a3f68c78ea2c47b916d6e5a3dd57 [0,1,0,1,0,0|2,0,0]=4 11074 B12R1.561 O=C(CCCCCF)N1CCC1 2b7a2525b64ed5e65414bf227607ff34 [0,1,0,1,0,0|2,0,0]=4 11075 B12R1.561 O=C(CCCCCO)N1CCC1 a2cdc7a78e9de84fb12ff3ef8e1149d7 [0,1,0,1,0,0|2,0,0]=4 11076 B12R1.561 O=C(CCCCCS)N1CCC1 5675a0e6858fcc7786aa4db20988cce3 [0,1,0,1,0,0|2,0,0]=4 11077 B12R1.561 O=C(NCCCCCl)C1CCO1 acb13d0e34dd6b8fd54ead5e9b97c208 [0,1,0,1,0,0|2,0,0]=4 11078 B12R1.561 O=C(NCCCCCl)[C@@H]1CCO1 6296c1008a60a5b30bb4b61740201d0d [0,1,0,1,0,0|2,0,0]=4 11079 B12R1.561 O=C(NCCCCCl)[C@H]1CCO1 25c271dd0c6138139baf10d030427885 [0,1,0,1,0,0|2,0,0]=4 11080 B12R1.561 O=C(NCCCCO)C1CCO1 a65a1f081b6ad7f321b3aa11e860b765 [0,1,0,1,0,0|2,0,0]=4 11081 B12R1.561 O=C(NCCCCO)N1CCC1 ffe6f96adbbd6aa4c52aa2576d3ff9ed [0,1,0,1,0,0|2,0,0]=4 11082 B12R1.561 O=C(NCCCCO)[C@@H]1CCO1 b77a78fd035fd08aea5379848249aa90 [0,1,0,1,0,0|2,0,0]=4 11083 B12R1.561 O=C(NCCCCO)[C@H]1CCO1 e9ed08103e59140e2153c64bf4101899 [0,1,0,1,0,0|2,0,0]=4 11084 B12R1.561 O=C(NCCCCS)C1CCO1 f48839dd3341904fe6e143d4ad08e1a6 [0,1,0,1,0,0|2,0,0]=4 11085 B12R1.561 O=C(NCCCCS)N1CCC1 d9d34212a23bbab953470cdcdd341bec [0,1,0,1,0,0|2,0,0]=4 11086 B12R1.561 O=C(NCCCCS)[C@@H]1CCO1 0964e1376265aef6b4faf61dbb5c74c6 [0,1,0,1,0,0|2,0,0]=4 11087 B12R1.561 O=C(NCCCCS)[C@H]1CCO1 bc3ed3c82b409e5047ef749250f8a059 [0,1,0,1,0,0|2,0,0]=4 11088 B12R1.567 CCCCOC1=C(CCC1=O)C 1857de2b4afba9ed3feabdd926481b76 [0,1,0,1,0,0|2,0,0]=4 11089 B12R1.925 C#CCCC(=O)N[C@@H]1CC[C@H]1C 5f4512aa3bdca4a8675bb25db1c3f3a2 [0,1,0,1,0,0|1,0,1]=4 11090 B12R1.925 C#CCCC(=O)N[C@H]1CC[C@H]1C 51f3616b0a4ae8ac70831521136c44ef [0,1,0,1,0,0|1,0,1]=4 11091 B12R1.925 C/C=C/CC(=O)N[C@@H]1CC[C@H]1C 2bd6f476abebefaa990dab3bc3f59e2d [0,1,0,1,0,0|1,0,1]=4 11092 B12R1.925 C/C=C/CC(=O)N[C@H]1CC[C@H]1C a6bb43b14f464a8e513750dd1f5917eb [0,1,0,1,0,0|1,0,1]=4 11093 B12R1.925 C=CCCC(=O)N[C@@H]1CC[C@H]1C aa2d6a3df3dcf275c1a5db378a5737db [0,1,0,1,0,0|1,0,1]=4 11094 B12R1.925 C=CCCC(=O)N[C@H]1CC[C@H]1C f8f80524fd8edb1a723cfa4d84c7e34a [0,1,0,1,0,0|1,0,1]=4 11095 B12R1.925 CC#CCC(=O)N[C@@H]1CC[C@H]1C b8a44d2d0abc1900aa122a122031a2e4 [0,1,0,1,0,0|1,0,1]=4 11096 B12R1.925 CC#CCC(=O)N[C@H]1CC[C@H]1C 2afc22b1fcdd23c639710273d0aefe13 [0,1,0,1,0,0|1,0,1]=4 11097 B12R1.925 CC/C=C/C(=O)N[C@@H]1CC[C@H]1C abfcd3346c7c5d7a797c1824cd65e6d5 [0,1,0,1,0,0|1,0,1]=4 11098 B12R1.925 CC/C=C/C(=O)N[C@H]1CC[C@H]1C 21b937f5871a6739db0637828acda0d9 [0,1,0,1,0,0|1,0,1]=4 11099 B12R1.925 CC/C=C\C(=O)N[C@@H]1CC[C@H]1C 800ecbfc8dd45a1fb1263d50f4f147c3 [0,1,0,1,0,0|1,0,1]=4 11100 B12R1.925 CC/C=C\C(=O)N[C@H]1CC[C@H]1C 8238f851d5ac2ec683d18b2049b5e812 [0,1,0,1,0,0|1,0,1]=4 11101 B12R1.925 CC1OCC1NC(=O)CCCF 9e816dd84dc5cc1280ccb11f278af9b1 [0,1,0,1,0,0|2,0,0]=4 11102 B12R1.925 CC1OCC1NC(=O)CCCS b5c5d8ae09983fd565415241eb7d66a8 [0,1,0,1,0,0|2,0,0]=4 11103 B12R1.925 CCC#CC(=O)N[C@@H]1CC[C@H]1C 091055a2b3857a7d91b4c41282436e2b [0,1,0,1,0,0|1,0,1]=4 11104 B12R1.925 CCC#CC(=O)N[C@H]1CC[C@H]1C 1275a553cdd1254378c1856f0e0ad015 [0,1,0,1,0,0|1,0,1]=4 11105 B12R1.925 CCC=CC(=O)N[C@@H]1CC[C@H]1C 490693f71a07da1e238330f9c0491693 [0,1,0,1,0,0|1,0,1]=4 11106 B12R1.925 CCC=CC(=O)N[C@H]1CC[C@H]1C 18fe02735cfea12f0cc204ddc5166c54 [0,1,0,1,0,0|1,0,1]=4 11107 B12R1.925 CCCCC(=O)NC1CCC1F 25a3ee06a204ca503ff2467510ac3abd [0,1,0,1,0,0|2,0,0]=4 11108 B12R1.925 CCCCC(=O)NC1CCC1O 95e4e781f8c6809493739e4f94982ac7 [0,1,0,1,0,0|2,0,0]=4 11109 B12R1.925 CCCCC(=O)NC1COC1C 38c31418dc94c0889dc0b931a257658b [0,1,0,1,0,0|2,0,0]=4 11110 B12R1.925 CCCCC(=O)N[C@@H]1CC[C@@H]1O fd5806e49bcb42d753899bdbfb0d1aec [0,1,0,1,0,0|2,0,0]=4 11111 B12R1.925 CCCCC(=O)N[C@@H]1CC[C@H]1C 9265218896b27d4a1d2eb6a938d8aef1 [0,1,0,1,0,0|1,0,0]=3 11112 B12R1.925 CCCCC(=O)N[C@@H]1CC[C@H]1O 02778014a7860d39f9e2ced346f48026 [0,1,0,1,0,0|2,0,0]=4 11113 B12R1.925 CCCCC(=O)N[C@H]1CC[C@@H]1O d73c777a22ad74ec6498d959d5af2c83 [0,1,0,1,0,0|2,0,0]=4 11114 B12R1.925 CCCCC(=O)N[C@H]1CC[C@H]1C 02dfba1d0b3b135d627a156f11593eb2 [0,1,0,1,0,0|1,0,0]=3 11115 B12R1.925 CCCCC(=O)N[C@H]1CC[C@H]1O b13543e27352b53890795814af923c95 [0,1,0,1,0,0|2,0,0]=4 11116 B12R1.925 CCCNC(=O)NC1CCC1F 7e7bec52fd170aa340ee7dca708857e6 [0,1,0,1,0,0|2,0,0]=4 11117 B12R1.925 CCCNC(=O)NC1CCC1O 7c7a94fb62505fa2e853723b2d876d59 [0,1,0,1,0,0|2,0,0]=4 11118 B12R1.925 CCCNC(=O)NC1COC1C 82534550ceb50f89ed8011f0ce0bf33a [0,1,0,1,0,0|2,0,0]=4 11119 B12R1.925 CCCNC(=O)N[C@@H]1CC[C@@H]1O 98014c1f83844ca744b8a06147f871d3 [0,1,0,1,0,0|2,0,0]=4 11120 B12R1.925 CCCNC(=O)N[C@@H]1CC[C@H]1C 180c1c9ae7fe559fc155d1e4f2d8707d [0,1,0,1,0,0|1,0,0]=3 11121 B12R1.925 CCCNC(=O)N[C@@H]1CC[C@H]1O 180da0f7a4aee99f44307911043d2500 [0,1,0,1,0,0|2,0,0]=4 11122 B12R1.925 CCCNC(=O)N[C@H]1CC[C@@H]1O a8efcb59d1d5d366ab7c844286154aae [0,1,0,1,0,0|2,0,0]=4 11123 B12R1.925 CCCNC(=O)N[C@H]1CC[C@H]1C c46d4adaaaaccff2bc6b50bdb0637388 [0,1,0,1,0,0|1,0,0]=3 11124 B12R1.925 CCCNC(=O)N[C@H]1CC[C@H]1O 08af88519db7a5647a27e50b16ae5933 [0,1,0,1,0,0|2,0,0]=4 11125 B12R1.925 CCCNC(=S)N[C@@H]1CC[C@H]1C d8ab25d2db9b354bff32ed65db1e97c8 [0,1,0,1,0,0|1,1,0]=4 11126 B12R1.925 CCCNC(=S)N[C@H]1CC[C@H]1C b24d64403337fcd5e3ea51556f1fa59a [0,1,0,1,0,0|1,1,0]=4 11127 B12R1.925 CCOCC(=O)NC1CCC1F f650d65b495c84436617af811ba3c426 [0,1,0,1,0,0|2,0,0]=4 11128 B12R1.925 CCOCC(=O)NC1CCC1O 6a21e32b362e52740b44bd9716cba713 [0,1,0,1,0,0|2,0,0]=4 11129 B12R1.925 CCOCC(=O)NC1COC1C c061b057092d7a6281772fab3c2fd564 [0,1,0,1,0,0|2,0,0]=4 11130 B12R1.925 CCOCC(=O)N[C@@H]1CC[C@@H]1O 065dbf0e958256fcaa6d1d8305e4d227 [0,1,0,1,0,0|2,0,0]=4 11131 B12R1.925 CCOCC(=O)N[C@@H]1CC[C@H]1C 2b6eba6e49b937d993225df794881733 [0,1,0,1,0,0|1,0,0]=3 11132 B12R1.925 CCOCC(=O)N[C@@H]1CC[C@H]1O 653ac50b5793cdbbf207c6e6f0801084 [0,1,0,1,0,0|2,0,0]=4 11133 B12R1.925 CCOCC(=O)N[C@H]1CC[C@@H]1O a3e6f653099d9efe60e58bc9bc7b5879 [0,1,0,1,0,0|2,0,0]=4 11134 B12R1.925 CCOCC(=O)N[C@H]1CC[C@H]1C 3c78ff6cb592dae865b2ee8891e2509b [0,1,0,1,0,0|1,0,0]=3 11135 B12R1.925 CCOCC(=O)N[C@H]1CC[C@H]1O 148bcc3dfbf7fe2992d70581543b1f57 [0,1,0,1,0,0|2,0,0]=4 11136 B12R1.925 CCSCC(=O)NC1CCC1F 3b955292f7c80415414aa7123b7cf271 [0,1,0,1,0,0|2,0,0]=4 11137 B12R1.925 CCSCC(=O)NC1CCC1O 731f0e22a5ec472b256cdb7bf2d718ac [0,1,0,1,0,0|2,0,0]=4 11138 B12R1.925 CCSCC(=O)NC1COC1C 076f53cf36522273528c39a72a7c7de2 [0,1,0,1,0,0|2,0,0]=4 11139 B12R1.925 CCSCC(=O)N[C@@H]1CC[C@@H]1O a75c6b68de82d1123691f2f53bed9676 [0,1,0,1,0,0|2,0,0]=4 11140 B12R1.925 CCSCC(=O)N[C@@H]1CC[C@H]1C 387059758b111de8d9e79bbe8305ac22 [0,1,0,1,0,0|1,0,0]=3 11141 B12R1.925 CCSCC(=O)N[C@@H]1CC[C@H]1O 20aa6a96fe33d110310b427730811f16 [0,1,0,1,0,0|2,0,0]=4 11142 B12R1.925 CCSCC(=O)N[C@H]1CC[C@@H]1O 572229317532902a05b9aeea7443710a [0,1,0,1,0,0|2,0,0]=4 11143 B12R1.925 CCSCC(=O)N[C@H]1CC[C@H]1C 7b1f4d33762f07b7264861e0150bd039 [0,1,0,1,0,0|1,0,0]=3 11144 B12R1.925 CCSCC(=O)N[C@H]1CC[C@H]1O a8dfb64a94b369ca9f35bbaac587f61b [0,1,0,1,0,0|2,0,0]=4 11145 B12R1.925 COCCC(=O)NC1CCC1F 7c0f1173ebb260ad9af7a58f9dd22925 [0,1,0,1,0,0|2,0,0]=4 11146 B12R1.925 COCCC(=O)NC1CCC1O e565bc63bd8f88f6cb4816afab53ba57 [0,1,0,1,0,0|2,0,0]=4 11147 B12R1.925 COCCC(=O)NC1COC1C 7c6ff183e12ab0826400dc337967f2b5 [0,1,0,1,0,0|2,0,0]=4 11148 B12R1.925 COCCC(=O)N[C@@H]1CC[C@@H]1O 0623a6971a9b9624dde5a600a94c13a3 [0,1,0,1,0,0|2,0,0]=4 11149 B12R1.925 COCCC(=O)N[C@@H]1CC[C@H]1C 6342f9e6147fed09ad754c97712f36fd [0,1,0,1,0,0|1,0,0]=3 11150 B12R1.925 COCCC(=O)N[C@@H]1CC[C@H]1O 42324d359244fd6bbe7860897f48c7d4 [0,1,0,1,0,0|2,0,0]=4 11151 B12R1.925 COCCC(=O)N[C@H]1CC[C@@H]1O 2765498f7a2e9a703f60ca272d91e8f9 [0,1,0,1,0,0|2,0,0]=4 11152 B12R1.925 COCCC(=O)N[C@H]1CC[C@H]1C 76b951e63e6d687649af3040b7615cb9 [0,1,0,1,0,0|1,0,0]=3 11153 B12R1.925 COCCC(=O)N[C@H]1CC[C@H]1O 517343a235d372d032ae16ecec676885 [0,1,0,1,0,0|2,0,0]=4 11154 B12R1.925 CSCCC(=O)NC1CCC1F e242d15003faa9ef97142ab7920996d3 [0,1,0,1,0,0|2,0,0]=4 11155 B12R1.925 CSCCC(=O)NC1CCC1O 41fd1cc80708aaa5f3badbeac07239ba [0,1,0,1,0,0|2,0,0]=4 11156 B12R1.925 CSCCC(=O)NC1COC1C 200d243dba32ca71fc927d157ceef2d3 [0,1,0,1,0,0|2,0,0]=4 11157 B12R1.925 CSCCC(=O)N[C@@H]1CC[C@@H]1O da1e9453a27023ab96188af98539b49a [0,1,0,1,0,0|2,0,0]=4 11158 B12R1.925 CSCCC(=O)N[C@@H]1CC[C@H]1C 062d5ae64c3d7fc40fd9fddef805be30 [0,1,0,1,0,0|1,0,0]=3 11159 B12R1.925 CSCCC(=O)N[C@@H]1CC[C@H]1O 30c1b9f35f7fa36f9f1402b091cdaf8c [0,1,0,1,0,0|2,0,0]=4 11160 B12R1.925 CSCCC(=O)N[C@H]1CC[C@@H]1O a94a7018b36b7f0a677b2e2d1b799e9e [0,1,0,1,0,0|2,0,0]=4 11161 B12R1.925 CSCCC(=O)N[C@H]1CC[C@H]1C 9059c2608fdf85e24defc70062bdd935 [0,1,0,1,0,0|1,0,0]=3 11162 B12R1.925 CSCCC(=O)N[C@H]1CC[C@H]1O 2cc57115b234427bf6c33bceccd9bbd5 [0,1,0,1,0,0|2,0,0]=4 11163 B12R1.925 CSSCC(=O)N[C@@H]1CC[C@H]1C 70fa221269ac64635888b38355487db8 [0,1,0,1,0,0|2,0,0]=4 11164 B12R1.925 CSSCC(=O)N[C@H]1CC[C@H]1C 33727056b43e45a58283c5c2ba909451 [0,1,0,1,0,0|2,0,0]=4 11165 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCC#N 3432846fad4934f64a527e3b71f10f9e [0,1,0,1,0,0|1,0,1]=4 11166 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCC=O 8faa681f5d0928a65f8d95e7433d45bf [0,1,0,1,0,0|1,0,1]=4 11167 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCCF 11d8f778671c5f09fe63d5a9437cd179 [0,1,0,1,0,0|1,0,0]=3 11168 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCCS c739f8cf54c6ffb021a9d00f8d78950c [0,1,0,1,0,0|1,0,0]=3 11169 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)NCCF f4533259e8b5f955cc51c16d590320cb [0,1,0,1,0,0|2,0,0]=4 11170 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)NCCN c156c578be5c2024cd0ba85507e1c8ac [0,1,0,1,0,0|2,0,0]=4 11171 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)NCCO 337dcc5727a2fb92907cd71f58e90e34 [0,1,0,1,0,0|2,0,0]=4 11172 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)NCCS fe86c507a90177a193a094609ab1fda2 [0,1,0,1,0,0|2,0,0]=4 11173 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCC#N 15f088b2cec9d76731c05490f94b2f36 [0,1,0,1,0,0|1,0,1]=4 11174 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCC=O 026399fbf449a3da3f3376bd536f601c [0,1,0,1,0,0|1,0,1]=4 11175 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCCF 1eb2ea81363acc613e5b45e90fe6db43 [0,1,0,1,0,0|1,0,0]=3 11176 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCCS 0ad390fa446011e1555765e4f31bebc4 [0,1,0,1,0,0|1,0,0]=3 11177 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)NCCF f52108610fcaf6387f9b387b78ef2584 [0,1,0,1,0,0|2,0,0]=4 11178 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)NCCN c734a2a3e7c005c7a097f9c3242acce1 [0,1,0,1,0,0|2,0,0]=4 11179 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)NCCO 094653cc6b5e3b716ea79cc45c9aa460 [0,1,0,1,0,0|2,0,0]=4 11180 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)NCCS 36270f711014053fd44789be53d47c1f [0,1,0,1,0,0|2,0,0]=4 11181 B12R1.925 O=C(CCCF)NC1CCC1F af4aa7ecea635378dea0292fd3045bf7 [0,1,0,1,0,0|2,0,0]=4 11182 B12R1.925 O=C(CCCF)NC1CCC1O 9cfdde208b5dbb0b4ad1044ee2fedfa6 [0,1,0,1,0,0|2,0,0]=4 11183 B12R1.925 O=C(CCCF)N[C@@H]1CC[C@@H]1O 0f3acb2e38a9dba77c48775548409ece [0,1,0,1,0,0|2,0,0]=4 11184 B12R1.925 O=C(CCCF)N[C@@H]1CC[C@H]1O fe667480611b95ce0d09e185ec127bda [0,1,0,1,0,0|2,0,0]=4 11185 B12R1.925 O=C(CCCF)N[C@H]1CC[C@@H]1O 8f6b0e2396b3d345e5bfa5d269b86ec9 [0,1,0,1,0,0|2,0,0]=4 11186 B12R1.925 O=C(CCCF)N[C@H]1CC[C@H]1O f91400ac2b6d0fec2dc6b0b2e00b695f [0,1,0,1,0,0|2,0,0]=4 11187 B12R1.925 O=C(CCCS)NC1CCC1F 1a4094d09a84c5b282963afd4474292e [0,1,0,1,0,0|2,0,0]=4 11188 B12R1.925 O=C(CCCS)NC1CCC1O f03f94088b7c240bd35545ccd55ac948 [0,1,0,1,0,0|2,0,0]=4 11189 B12R1.925 O=C(CCCS)N[C@@H]1CC[C@@H]1O 23b359ae31bc5983309eb8bfc7981fe4 [0,1,0,1,0,0|2,0,0]=4 11190 B12R1.925 O=C(CCCS)N[C@@H]1CC[C@H]1O 09b7a3e23e1b1189110e7fc9dec45b7d [0,1,0,1,0,0|2,0,0]=4 11191 B12R1.925 O=C(CCCS)N[C@H]1CC[C@@H]1O 7913c1a2fc6582f1d96ba925d0b82d87 [0,1,0,1,0,0|2,0,0]=4 11192 B12R1.925 O=C(CCCS)N[C@H]1CC[C@H]1O b022b628acedddf2f986fcde386bd66d [0,1,0,1,0,0|2,0,0]=4 11193 B12R1.1112 CCN1CCNC(=O)C1CCO fff30e02f32bbe4194a85ecd91bb9fa4 [0,1,0,1,0,0|2,0,0]=4 11194 B12R1.1761 CCCCCOC1CC(C1)OC 87020baad4cf1f7eb4b095c9504a3ca3 [0,1,0,1,0,0|1,0,1]=4 11195 B12R1.1761 CCCCCOC1CN(C1)CC c93a8ffd5181c300de9862014224dceb [0,1,0,1,0,0|1,0,1]=4 11196 B12R1.1761 CCCCCO[C@H]1C[C@@H](C1)OC ec7d9b5713fbf29d91a74aa579b63296 [0,1,0,1,0,0|1,0,1]=4 11197 B12R1.1761 CCCCCO[C@H]1C[C@H](C1)CF b3107bc73e538a9c7f094e555c542298 [0,1,0,1,0,0|1,0,1]=4 11198 B12R1.1761 CCCCCO[C@H]1C[C@H](C1)OC 8bf4b923510914af6567e0a33fdcce55 [0,1,0,1,0,0|1,0,1]=4 11199 B12R1.34 CCC(O)C(=O)N1CCCOC1 8544e004479950f6660cddde5019e760 [0,1,0,1,0,0|2,0,0]=4 11200 B12R1.34 CCC(O)C(=O)N1CCCSC1 1b1765d899a55fa5030b90b04feb95cb [0,1,0,1,0,0|2,0,0]=4 11201 B12R1.34 CCC(O)C(=O)N1CCOCC1 05b9658dcc29bbf110c0f4f7a5b5a93b [0,1,0,1,0,0|2,0,0]=4 11202 B12R1.34 CCC(O)C(=O)N1CCSCC1 77028454c4e1c722d6ad48f38cbc94a9 [0,1,0,1,0,0|2,0,0]=4 11203 B12R1.34 CC[C@@H](O)C(=O)N1CCCOC1 b7a17df3fbe7db2d90d2c11b5c8960c6 [0,1,0,1,0,0|2,0,0]=4 11204 B12R1.34 CC[C@@H](O)C(=O)N1CCCSC1 41a786ce5d7c23d372e8e170fbf638f5 [0,1,0,1,0,0|2,0,0]=4 11205 B12R1.34 CC[C@@H](O)C(=O)N1CCOCC1 f0e938407338f1abd776f2a8999648e7 [0,1,0,1,0,0|2,0,0]=4 11206 B12R1.34 CC[C@@H](O)C(=O)N1CCSCC1 91d3712323f5aa257de4fd7898ed1e17 [0,1,0,1,0,0|2,0,0]=4 11207 B12R1.34 CC[C@H](O)C(=O)N1CCCOC1 a4c9d10509491527f734f38168897e08 [0,1,0,1,0,0|2,0,0]=4 11208 B12R1.34 CC[C@H](O)C(=O)N1CCCSC1 ccaf0a5d1b217532013c8daa8bf3f2fc [0,1,0,1,0,0|2,0,0]=4 11209 B12R1.34 CC[C@H](O)C(=O)N1CCOCC1 fb4b98388e3f17d729d86dafbfa04681 [0,1,0,1,0,0|2,0,0]=4 11210 B12R1.34 CC[C@H](O)C(=O)N1CCSCC1 6b04afaad42ece0efbbb3fd432ea0526 [0,1,0,1,0,0|2,0,0]=4 11211 B12R1.34 CC[C@H](S)C(=O)N1CCCOC1 bc2791ddf9badb3e55619398bbac3d9d [0,1,0,1,0,0|2,0,0]=4 11212 B12R1.34 CC[C@H](S)C(=O)N1CCCSC1 fb90a17b90be02208e7cab6a919d5085 [0,1,0,1,0,0|2,0,0]=4 11213 B12R1.34 CC[C@H](S)C(=O)N1CCOCC1 7d1c97e971acd8923c90df53888774a2 [0,1,0,1,0,0|2,0,0]=4 11214 B12R1.34 CC[C@H](S)C(=O)N1CCSCC1 9f9e4ae10d70eba1b9ea3ed6336f2276 [0,1,0,1,0,0|2,0,0]=4 11215 B12R1.108 C=C(CC)C(=O)NC1CCCC1 760cd924b57892f93c7c5ab6feb562c2 [0,1,0,1,0,0|1,0,1]=4 11216 B12R1.108 CCC(=O)C(=O)NC1CCCC1 b85bda82ce2332de61c3cb7f4fff4181 [0,1,0,1,0,0|1,0,1]=4 11217 B12R1.108 CCC(C)C(C)OC1CCCC1 8e883275d5aee52f079c636074ed070b [0,1,0,1,0,0|1,0,1]=4 11218 B12R1.108 CCC(O)C(=O)NC1CCCC1 a852441e2021327e803ef8cc4e315e1e [0,1,0,1,0,0|1,0,0]=3 11219 B12R1.108 CCC(O)C(=O)NC1CCOC1 d89f8ceef3f912efe7b895b832bebc6f [0,1,0,1,0,0|2,0,0]=4 11220 B12R1.108 CCC(O)C(=O)NC1CCSC1 488ee4c3b6990984a1af3aa401e1d22a [0,1,0,1,0,0|2,0,0]=4 11221 B12R1.108 CCC(O)C(=O)N[C@@H]1CCOC1 7d0dae2efdf7101fbdcedf6b6dc1b2c1 [0,1,0,1,0,0|2,0,0]=4 11222 B12R1.108 CCC(O)C(=O)N[C@H]1CCOC1 d09d3b48bbe6acbbbffdb0e6ef01a39a [0,1,0,1,0,0|2,0,0]=4 11223 B12R1.108 CCN(C)C(=O)CC1CCCC1 a457ef2f560654e2d9c5d5cd3424768b [0,1,0,1,0,0|2,0,0]=4 11224 B12R1.108 CCN(C)C(=O)NC1CCCC1 c5b7efd96b9deaf9fb3174639cac8ef9 [0,1,0,1,0,0|2,0,0]=4 11225 B12R1.108 CC[C@@H](O)C(=O)NC1CCCC1 c26d6999b5afa5662e4dd96025aaa13e [0,1,0,1,0,0|1,0,0]=3 11226 B12R1.108 CC[C@@H](O)C(=O)NC1CCOC1 bd5151ac5cd506a9144be9e4f90f7d98 [0,1,0,1,0,0|2,0,0]=4 11227 B12R1.108 CC[C@@H](O)C(=O)NC1CCSC1 37e7c386c6ac6d2ecd027c6d6653959e [0,1,0,1,0,0|2,0,0]=4 11228 B12R1.108 CC[C@@H](O)C(=O)N[C@@H]1CCOC1 b2496bbbcb1d1a2d419dc9429f83ad71 [0,1,0,1,0,0|2,0,0]=4 11229 B12R1.108 CC[C@@H](O)C(=O)N[C@H]1CCOC1 daf971dcf4306a90b2c9af7af8a1ac31 [0,1,0,1,0,0|2,0,0]=4 11230 B12R1.108 CC[C@H](O)C(=O)NC1CCCC1 9f898d7cbbb06c7dee9b11e363d880b0 [0,1,0,1,0,0|1,0,0]=3 11231 B12R1.108 CC[C@H](O)C(=O)NC1CCOC1 f7d60829e45dd4c57baa26a645635e90 [0,1,0,1,0,0|2,0,0]=4 11232 B12R1.108 CC[C@H](O)C(=O)NC1CCSC1 60a3f7a53dc3ee413b6799bebd7e3e44 [0,1,0,1,0,0|2,0,0]=4 11233 B12R1.108 CC[C@H](O)C(=O)N[C@@H]1CCOC1 8101af2c8a7c49b669fd804ef8e9d00b [0,1,0,1,0,0|2,0,0]=4 11234 B12R1.108 CC[C@H](O)C(=O)N[C@H]1CCOC1 52c1541914baa83b93dd19aba92bc876 [0,1,0,1,0,0|2,0,0]=4 11235 B12R1.108 CC[C@H](S)C(=O)NC1CCCC1 044d6ebe76a5205df3da0333ac5f7a14 [0,1,0,1,0,0|1,0,0]=3 11236 B12R1.108 CC[C@H](S)C(=O)NC1CCOC1 202a43feb05edc9c75c44841da404b09 [0,1,0,1,0,0|2,0,0]=4 11237 B12R1.108 CC[C@H](S)C(=O)NC1CCSC1 fd1f96b7b5ba62c750b3ba2c9a1af7c5 [0,1,0,1,0,0|2,0,0]=4 11238 B12R1.108 CC[C@H](S)C(=O)N[C@@H]1CCOC1 dd5a1e05fc6c6075391fe6cb8255f909 [0,1,0,1,0,0|2,0,0]=4 11239 B12R1.108 CC[C@H](S)C(=O)N[C@H]1CCOC1 6a0e0984cc0a973982dba37d45e4dcb3 [0,1,0,1,0,0|2,0,0]=4 11240 B12R1.108 COC(C)C(=O)NC1CCCC1 b4ca3d3e36e9fd5ee43688899c772bed [0,1,0,1,0,0|2,0,0]=4 11241 B12R1.108 CO[C@@H](C)C(=O)NC1CCCC1 43350ea7a440873c66dac74f9f895cc0 [0,1,0,1,0,0|2,0,0]=4 11242 B12R1.108 CO[C@H](C)C(=O)NC1CCCC1 6814ffbd552498efe4243fb74496519a [0,1,0,1,0,0|2,0,0]=4 11243 B12R1.108 CSC(C)C(=O)NC1CCCC1 9c21e94013155524846635244065d67c [0,1,0,1,0,0|2,0,0]=4 11244 B12R1.108 O=C(NC1CCCC1)C(O)CO 2b7b9f840b658bfefc08f5a3b1b93a4a [0,1,0,1,0,0|2,0,0]=4 11245 B12R1.108 O=C(NC1CCCC1)[C@@H](O)CO b35364d9a3b87379bf707ae6b10e1cf5 [0,1,0,1,0,0|2,0,0]=4 11246 B12R1.108 O=C(NC1CCCC1)[C@H](O)CF f6d1e61edbc00ddee13e014629d71233 [0,1,0,1,0,0|2,0,0]=4 11247 B12R1.420 CCC(O)C(=O)N[C@@H]1C[C@@H]1OC cbe5062989001b78e29dd7e9298c486b [0,1,0,1,0,0|2,0,0]=4 11248 B12R1.420 CCC(O)C(=O)N[C@@H]1C[C@H]1CO da79672fd1ef11498a6d4c1752b3426a [0,1,0,1,0,0|2,0,0]=4 11249 B12R1.420 CCC(O)C(=O)N[C@H]1C[C@@H]1CO 74459553aa5c692fec30efd34f9a6247 [0,1,0,1,0,0|2,0,0]=4 11250 B12R1.420 CCC(O)C(=O)N[C@H]1C[C@H]1CO 2137a0ae9f240d4376af2fd744563d54 [0,1,0,1,0,0|2,0,0]=4 11251 B12R1.420 CCC1CC1CC(=O)N(C)CC 521a8fb2e2e43522050714e8e5dd0500 [0,1,0,1,0,0|2,0,0]=4 11252 B12R1.420 CC[C@@H](O)C(=O)N[C@@H]1C[C@@H]1OC c44bc567f5e53d6cf867c700af8dc031 [0,1,0,1,0,0|2,0,0]=4 11253 B12R1.420 CC[C@@H](O)C(=O)N[C@@H]1C[C@H]1CO ac8b6d26fac17fe64231fcc39ee39b2a [0,1,0,1,0,0|2,0,0]=4 11254 B12R1.420 CC[C@@H](O)C(=O)N[C@H]1C[C@@H]1CO de4a4f4c219db61eb9f90a67e645f963 [0,1,0,1,0,0|2,0,0]=4 11255 B12R1.420 CC[C@@H](O)C(=O)N[C@H]1C[C@H]1CO 6548170763642a0c8012a0142847cd2e [0,1,0,1,0,0|2,0,0]=4 11256 B12R1.420 CC[C@H](O)C(=O)N[C@@H]1C[C@@H]1OC ca3c8eef2fa6a66eea68f7ef3832047c [0,1,0,1,0,0|2,0,0]=4 11257 B12R1.420 CC[C@H](O)C(=O)N[C@@H]1C[C@H]1CO 588e6d2917a87f3a19c3523744a7d784 [0,1,0,1,0,0|2,0,0]=4 11258 B12R1.420 CC[C@H](O)C(=O)N[C@H]1C[C@@H]1CO 301976987e6fbaa8b289f75d68d944ab [0,1,0,1,0,0|2,0,0]=4 11259 B12R1.420 CC[C@H](O)C(=O)N[C@H]1C[C@H]1CO c2f6f4efa0f2b53e6bd8ddbd0bb13437 [0,1,0,1,0,0|2,0,0]=4 11260 B12R1.420 CC[C@H](S)C(=O)N[C@@H]1C[C@@H]1OC 30758d050d4d34c8e124976a51efcb67 [0,1,0,1,0,0|2,0,0]=4 11261 B12R1.420 CC[C@H](S)C(=O)N[C@@H]1C[C@H]1CO 81a931b99acd9f43477380ea38685e9e [0,1,0,1,0,0|2,0,0]=4 11262 B12R1.420 CC[C@H](S)C(=O)N[C@H]1C[C@@H]1CO 1c261b0c50b5702f908fb6ddb5e62e06 [0,1,0,1,0,0|2,0,0]=4 11263 B12R1.420 CC[C@H](S)C(=O)N[C@H]1C[C@H]1CO 157e98613a6c32e0965c1de320e88e67 [0,1,0,1,0,0|2,0,0]=4 11264 B12R1.443 C=C(CC)C(=O)N1CCC1CC 8d300b41ea6ac7f0c48955c247e477be [0,1,0,1,0,0|1,0,1]=4 11265 B12R1.443 CCC(=O)C(=O)N1CCC1CC 29679c397afb4b282d6ac9a73452a719 [0,1,0,1,0,0|1,0,1]=4 11266 B12R1.443 CCC(O)C(=O)N1CCC1CC c1b0b7a7163dfbcd1462aaf8f0458efe [0,1,0,1,0,0|1,0,0]=3 11267 B12R1.443 CCC(O)C(=O)N1CCC1CO 5b0cbe694aa911a7a982ed2bf60681e3 [0,1,0,1,0,0|2,0,0]=4 11268 B12R1.443 CCC(O)C(=O)N1CC[C@@H]1CO aa1f0379609246c65d105e63f2a3f4e2 [0,1,0,1,0,0|2,0,0]=4 11269 B12R1.443 CCC(O)C(=O)N1CC[C@H]1CO 46e8d96d0c222aef8628d6717e7f44a9 [0,1,0,1,0,0|2,0,0]=4 11270 B12R1.443 CCC1CCN1C(=O)C(C)OC a912f212b9c0697fa6b7a5927460f1fc [0,1,0,1,0,0|2,0,0]=4 11271 B12R1.443 CCC1CCN1C(=O)C(C)SC 37a9bd38a1c65f4e5720066117aa0c86 [0,1,0,1,0,0|2,0,0]=4 11272 B12R1.443 CCC1CCN1C(=O)C(O)CO 25144caabcc6f8aa5959360465a393df [0,1,0,1,0,0|2,0,0]=4 11273 B12R1.443 CCC1CCN1C(=O)[C@@H](C)OC 7bd5aa703900c8a8aea5823b46d09e8d [0,1,0,1,0,0|2,0,0]=4 11274 B12R1.443 CCC1CCN1C(=O)[C@@H](O)CC f2966a4e24514a7c192383038bedf1f6 [0,1,0,1,0,0|1,0,0]=3 11275 B12R1.443 CCC1CCN1C(=O)[C@@H](O)CO cf2536b719e637d9f5443f4f6de20e6f [0,1,0,1,0,0|2,0,0]=4 11276 B12R1.443 CCC1CCN1C(=O)[C@@H](S)CC 51d0dbe931e16b03d0c8b112ef7df9ce [0,1,0,1,0,0|1,0,0]=3 11277 B12R1.443 CCC1CCN1C(=O)[C@H](C)OC f055a8a3a4c905cc1d766e856e77d106 [0,1,0,1,0,0|2,0,0]=4 11278 B12R1.443 CCC1CCN1C(=O)[C@H](O)CC c792509fec4ccc324bf524ff34e18857 [0,1,0,1,0,0|1,0,0]=3 11279 B12R1.443 CCC1CCN1C(=O)[C@H](O)CF 78033c73baed6950093aae78b625f602 [0,1,0,1,0,0|2,0,0]=4 11280 B12R1.443 CC[C@@H](O)C(=O)N1CCC1CO 9699b9a19eb87b48cb2cfb16eb66ec30 [0,1,0,1,0,0|2,0,0]=4 11281 B12R1.443 CC[C@@H](O)C(=O)N1CC[C@@H]1CO a3cae178b137f067413b7040eea013a0 [0,1,0,1,0,0|2,0,0]=4 11282 B12R1.443 CC[C@@H](O)C(=O)N1CC[C@H]1CO 35b7cdbe171843c91f4c80c0069575da [0,1,0,1,0,0|2,0,0]=4 11283 B12R1.443 CC[C@H](O)C(=O)N1CCC1CO fe21a8d9404509aa4bc0343982081c70 [0,1,0,1,0,0|2,0,0]=4 11284 B12R1.443 CC[C@H](O)C(=O)N1CC[C@@H]1CO b988a38fb17d1cff928e0dcbcb4c6084 [0,1,0,1,0,0|2,0,0]=4 11285 B12R1.443 CC[C@H](O)C(=O)N1CC[C@H]1CO 3bd41d1f482fbd20392105e14a0580bc [0,1,0,1,0,0|2,0,0]=4 11286 B12R1.443 CC[C@H](S)C(=O)N1CCC1CO b48d4a4f30824461c30c78ce7f9c3052 [0,1,0,1,0,0|2,0,0]=4 11287 B12R1.443 CC[C@H](S)C(=O)N1CC[C@@H]1CO 030aff648725ef4770c832b3176ca174 [0,1,0,1,0,0|2,0,0]=4 11288 B12R1.443 CC[C@H](S)C(=O)N1CC[C@H]1CO c4c5c064ed661d02f65845c3a4cd8b77 [0,1,0,1,0,0|2,0,0]=4 11289 B12R1.468 C=C(CC)C(=O)N1CCCC1C 705c937be55f22ff107a9c05db5f57fc [0,1,0,1,0,0|1,0,1]=4 11290 B12R1.468 C=C(CC)C(=O)N1CCC[C@@H]1C 868a98134299ad597fd0c9da701f1e25 [0,1,0,1,0,0|1,0,1]=4 11291 B12R1.468 C=C(CC)C(=O)N1CCC[C@H]1C 2c7919e7a7a1ec59d125149730674c26 [0,1,0,1,0,0|1,0,1]=4 11292 B12R1.468 CC1CCCN1C(=O)C(O)CO 20bc34a4293b26f73da86e27cbf160a4 [0,1,0,1,0,0|2,0,0]=4 11293 B12R1.468 CC1CCCN1C(=O)[C@@H](O)CO ff0b27cbd4de652b50978cec217f33d3 [0,1,0,1,0,0|2,0,0]=4 11294 B12R1.468 CC1CCCN1C(=O)[C@H](O)CF ec71f049c1e70d7a90d750373702ee20 [0,1,0,1,0,0|2,0,0]=4 11295 B12R1.468 CCC(=O)C(=O)N1CCCC1C 8339bc02999f5cb8e3f06b44fd65171a [0,1,0,1,0,0|1,0,1]=4 11296 B12R1.468 CCC(=O)C(=O)N1CCC[C@@H]1C 7e86961b60fce5ca03fd4169b327ccd5 [0,1,0,1,0,0|1,0,1]=4 11297 B12R1.468 CCC(=O)C(=O)N1CCC[C@H]1C c49da13cb5b47e03e905b56ecfbbb6a9 [0,1,0,1,0,0|1,0,1]=4 11298 B12R1.468 CCC(O)C(=O)N1CCCC1C 129e6f22abe250395f40201d0be0542d [0,1,0,1,0,0|1,0,0]=3 11299 B12R1.468 CCC(O)C(=O)N1CCCC1O 059d0b6737bb4cc036f6ec8382f26714 [0,1,0,1,0,0|2,0,0]=4 11300 B12R1.468 CCC(O)C(=O)N1CCC[C@@H]1C 7e4549b0f2ae76e91aa37640e119b4ad [0,1,0,1,0,0|1,0,0]=3 11301 B12R1.468 CCC(O)C(=O)N1CCC[C@H]1C 93017399eee33801e3bd25d9a203fdea [0,1,0,1,0,0|1,0,0]=3 11302 B12R1.468 CCC(O)C(=O)N1CCSC1C fcc4be16e4d52a215daeb0b17e7734e5 [0,1,0,1,0,0|2,0,0]=4 11303 B12R1.468 CC[C@@H](O)C(=O)N1CCCC1C 49ebc9446168cb396bb80e6fa32befe0 [0,1,0,1,0,0|1,0,0]=3 11304 B12R1.468 CC[C@@H](O)C(=O)N1CCCC1O d89884d43f38e3c1076887eb3a221843 [0,1,0,1,0,0|2,0,0]=4 11305 B12R1.468 CC[C@@H](O)C(=O)N1CCC[C@@H]1C 7f961e6f842509fa4a5e7eccb1f94268 [0,1,0,1,0,0|1,0,0]=3 11306 B12R1.468 CC[C@@H](O)C(=O)N1CCC[C@H]1C 091451376151ee301721ad89a9d09a90 [0,1,0,1,0,0|1,0,0]=3 11307 B12R1.468 CC[C@@H](O)C(=O)N1CCSC1C 1a5f90c5a24fae5ed60141df03634eb9 [0,1,0,1,0,0|2,0,0]=4 11308 B12R1.468 CC[C@H](O)C(=O)N1CCCC1C d3f6b8313fe2647c6822288b7b7e4f6e [0,1,0,1,0,0|1,0,0]=3 11309 B12R1.468 CC[C@H](O)C(=O)N1CCCC1O 9e5820488035fce6c2a136f82f3a8abe [0,1,0,1,0,0|2,0,0]=4 11310 B12R1.468 CC[C@H](O)C(=O)N1CCC[C@@H]1C e8a120bb1f082e2cf49b74d135d96026 [0,1,0,1,0,0|1,0,0]=3 11311 B12R1.468 CC[C@H](O)C(=O)N1CCC[C@H]1C 714db3ed7dcaf3d26eaff5adff55a3d1 [0,1,0,1,0,0|1,0,0]=3 11312 B12R1.468 CC[C@H](O)C(=O)N1CCSC1C d9aa8e8316bc68b066e5c3c06b660d86 [0,1,0,1,0,0|2,0,0]=4 11313 B12R1.468 CC[C@H](S)C(=O)N1CCCC1C 31010921be4b764da605d61674be0f47 [0,1,0,1,0,0|1,0,0]=3 11314 B12R1.468 CC[C@H](S)C(=O)N1CCCC1O 8b7e4b47c06d5023d338da47a1588ee2 [0,1,0,1,0,0|2,0,0]=4 11315 B12R1.468 CC[C@H](S)C(=O)N1CCC[C@@H]1C 4d204ed36a605dd35508ef4589a0891e [0,1,0,1,0,0|1,0,0]=3 11316 B12R1.468 CC[C@H](S)C(=O)N1CCC[C@H]1C 1e09848932b8e529795d19b66ac7056f [0,1,0,1,0,0|1,0,0]=3 11317 B12R1.468 CC[C@H](S)C(=O)N1CCSC1C 69edfd0d5e3c9efa8e822693c776bcd9 [0,1,0,1,0,0|2,0,0]=4 11318 B12R1.468 COC(C)C(=O)N1CCCC1C 87d414566ba1320dd158417e4cc2c697 [0,1,0,1,0,0|2,0,0]=4 11319 B12R1.468 COC(C)C(=O)N1CCC[C@@H]1C eb4cc7c78f9812ddc312e1cf44f1a061 [0,1,0,1,0,0|2,0,0]=4 11320 B12R1.468 COC(C)C(=O)N1CCC[C@H]1C 3958af778191879139e56a9089d583c5 [0,1,0,1,0,0|2,0,0]=4 11321 B12R1.468 CO[C@@H](C)C(=O)N1CCCC1C d0f2d07932c34cf31a681f5cc937b9b7 [0,1,0,1,0,0|2,0,0]=4 11322 B12R1.468 CO[C@@H](C)C(=O)N1CCC[C@@H]1C 1694d1aa0ee667f0c721fa8095ce36de [0,1,0,1,0,0|2,0,0]=4 11323 B12R1.468 CO[C@@H](C)C(=O)N1CCC[C@H]1C 23f1b3b677e6429c5bdf1471f9db493a [0,1,0,1,0,0|2,0,0]=4 11324 B12R1.468 CO[C@H](C)C(=O)N1CCCC1C 695b8a0f1c73ecb40f49fc0cc2e91f0e [0,1,0,1,0,0|2,0,0]=4 11325 B12R1.468 CO[C@H](C)C(=O)N1CCC[C@@H]1C 98c7b5a1dabff5f4da9e3dc5ab388201 [0,1,0,1,0,0|2,0,0]=4 11326 B12R1.468 CO[C@H](C)C(=O)N1CCC[C@H]1C 4eb70ddc5a744a138e26473c062f52f1 [0,1,0,1,0,0|2,0,0]=4 11327 B12R1.468 CSC(C)C(=O)N1CCCC1C 02a48015100524b89b21d76721b181c3 [0,1,0,1,0,0|2,0,0]=4 11328 B12R1.468 CSC(C)C(=O)N1CCC[C@@H]1C b1c31348ccbe0ea6dfbc007d13695285 [0,1,0,1,0,0|2,0,0]=4 11329 B12R1.468 CSC(C)C(=O)N1CCC[C@H]1C e5c42dddbb7ba993ed20240309150b61 [0,1,0,1,0,0|2,0,0]=4 11330 B12R1.468 C[C@@H]1CCCN1C(=O)C(O)CO 2852c7dfb818dd6db94ae386b69f32f8 [0,1,0,1,0,0|2,0,0]=4 11331 B12R1.468 C[C@@H]1CCCN1C(=O)[C@@H](O)CO 44e8dbbfc1845c53a646cfe53a7fc334 [0,1,0,1,0,0|2,0,0]=4 11332 B12R1.468 C[C@@H]1CCCN1C(=O)[C@H](O)CF 12ae01495b30771af7f623bb5c5c4e2e [0,1,0,1,0,0|2,0,0]=4 11333 B12R1.468 C[C@H]1CCCN1C(=O)C(O)CO c1cb52e4fa67de3a7db6785862ea7299 [0,1,0,1,0,0|2,0,0]=4 11334 B12R1.468 C[C@H]1CCCN1C(=O)[C@@H](O)CO 3719fd48493f70c829d564ff0999a8b4 [0,1,0,1,0,0|2,0,0]=4 11335 B12R1.468 C[C@H]1CCCN1C(=O)[C@H](O)CF 7df60a978f6e60731c1a2ba81692e54e [0,1,0,1,0,0|2,0,0]=4 11336 B12R1.470 C=C(CC)C(=O)NCC1CCC1 d308072226b3477d5e19d883249c1cc4 [0,1,0,1,0,0|1,0,1]=4 11337 B12R1.470 CCC(=O)C(=O)NCC1CCC1 ef69e20b36724dc7bc8e645358b5d300 [0,1,0,1,0,0|1,0,1]=4 11338 B12R1.470 CCC(C)C(=O)CNC1CCC1 eea48678d23fae374ef29ebd160eef6b [0,1,0,1,0,0|2,0,0]=4 11339 B12R1.470 CCC(C)C(=O)COC1CCC1 5df2ca2e37167b8e1b7ac47300acd258 [0,1,0,1,0,0|2,0,0]=4 11340 B12R1.470 CCC(C)C(C)OCC1CCC1 2b9c5181420db95ed6edc7cbc4338b38 [0,1,0,1,0,0|1,0,1]=4 11341 B12R1.470 CCC(O)C(=O)NCC1CCC1 549cd508943629843f97a6e07b4bcadb [0,1,0,1,0,0|1,0,0]=3 11342 B12R1.470 CCC(O)C(=O)NCC1CCO1 bf25c6e2d842032ea87c7258d1bc1833 [0,1,0,1,0,0|2,0,0]=4 11343 B12R1.470 CCC(O)C(=O)NCC1COC1 4bef8c5589a792180c0d2d1e9644b575 [0,1,0,1,0,0|2,0,0]=4 11344 B12R1.470 CCC(O)C(=O)NC[C@@H]1CCO1 eb39605aa7a175eb313da30e3a133ead [0,1,0,1,0,0|2,0,0]=4 11345 B12R1.470 CCC(O)C(=O)NC[C@H]1CCO1 5382e8a2b94950c1e37031b6b3b42a97 [0,1,0,1,0,0|2,0,0]=4 11346 B12R1.470 CCN(C)C(=O)CCC1CCC1 d70c1e66335fc971f2ab17da1f617037 [0,1,0,1,0,0|2,0,0]=4 11347 B12R1.470 CCN(C)C(=O)NCC1CCC1 0cbf7e660726dbe0aca2c732f6c439db [0,1,0,1,0,0|2,0,0]=4 11348 B12R1.470 CC[C@@H](O)C(=O)NCC1CCC1 3d841a446fa921726013888ac4525ee3 [0,1,0,1,0,0|1,0,0]=3 11349 B12R1.470 CC[C@@H](O)C(=O)NCC1CCO1 c8352cd059ff5e320943401df0bb2a5b [0,1,0,1,0,0|2,0,0]=4 11350 B12R1.470 CC[C@@H](O)C(=O)NCC1COC1 e33534f8f1fa7ed011e6f28363019d3a [0,1,0,1,0,0|2,0,0]=4 11351 B12R1.470 CC[C@@H](O)C(=O)NC[C@@H]1CCO1 ed5cbca97ef102d87e75f226ffcdd624 [0,1,0,1,0,0|2,0,0]=4 11352 B12R1.470 CC[C@@H](O)C(=O)NC[C@H]1CCO1 90f8548337ed964bfd970bd4f1ab4b4a [0,1,0,1,0,0|2,0,0]=4 11353 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 88c2c2c1644c2c93aad5894b2a81e9ba [0,1,0,1,0,0|1,0,0]=3 11354 B12R1.470 CC[C@H](O)C(=O)NCC1CCO1 eade7c23b9efabb7062811ff8f472143 [0,1,0,1,0,0|2,0,0]=4 11355 B12R1.470 CC[C@H](O)C(=O)NCC1COC1 2524c873518ce0b5d0c54bb052c3ed2e [0,1,0,1,0,0|2,0,0]=4 11356 B12R1.470 CC[C@H](O)C(=O)NC[C@@H]1CCO1 17379cd4957197437a2a63352a5acca1 [0,1,0,1,0,0|2,0,0]=4 11357 B12R1.470 CC[C@H](O)C(=O)NC[C@H]1CCO1 39aef359a9c145dd4515ccac7c8fec7f [0,1,0,1,0,0|2,0,0]=4 11358 B12R1.470 CC[C@H](S)C(=O)NCC1CCC1 8c03215bb66ddd6b58714b790f60f5e5 [0,1,0,1,0,0|1,0,0]=3 11359 B12R1.470 CC[C@H](S)C(=O)NCC1CCO1 bfb8abd1bc3617deb94859564b1a001b [0,1,0,1,0,0|2,0,0]=4 11360 B12R1.470 CC[C@H](S)C(=O)NCC1COC1 198bd6032120fc08841a22a3efc9e859 [0,1,0,1,0,0|2,0,0]=4 11361 B12R1.470 CC[C@H](S)C(=O)NC[C@@H]1CCO1 45fb67dbdaa7f592445257ccee5248a0 [0,1,0,1,0,0|2,0,0]=4 11362 B12R1.470 CC[C@H](S)C(=O)NC[C@H]1CCO1 cee31d7e6edb8e35cfc57ec7d8e20393 [0,1,0,1,0,0|2,0,0]=4 11363 B12R1.470 COC(C)C(=O)NCC1CCC1 a26ed88e9de94d6205c3ea80e2b41584 [0,1,0,1,0,0|2,0,0]=4 11364 B12R1.470 CO[C@@H](C)C(=O)NCC1CCC1 203a3e83a587b4a10116a13e351e767b [0,1,0,1,0,0|2,0,0]=4 11365 B12R1.470 CO[C@H](C)C(=O)NCC1CCC1 cd109f58fc255800b215dea3e2f791c1 [0,1,0,1,0,0|2,0,0]=4 11366 B12R1.470 CSC(C)C(=O)NCC1CCC1 f6bcac385bba72cb7bb007265ee3bb22 [0,1,0,1,0,0|2,0,0]=4 11367 B12R1.470 O=C(NCC1CCC1)C(O)CO 34b5204b7a8386f68d48ca567692bc76 [0,1,0,1,0,0|2,0,0]=4 11368 B12R1.470 O=C(NCC1CCC1)[C@@H](O)CO 7bd8013df1c2b3b42caf4eeddd8cfd16 [0,1,0,1,0,0|2,0,0]=4 11369 B12R1.470 O=C(NCC1CCC1)[C@H](O)CF 95ebf4c0674da640943d8792d8acd249 [0,1,0,1,0,0|2,0,0]=4 11370 B12R1.471 C=C(CC)C(=O)NCCC1CC1 4a8697fd851efe234b2b813b90e30d6e [0,1,0,1,0,0|1,0,1]=4 11371 B12R1.471 CCC(=O)C(=O)NCCC1CC1 0875eae04a8ffd3cd42791ce7ccabc57 [0,1,0,1,0,0|1,0,1]=4 11372 B12R1.471 CCC(C)C(=O)CNCC1CC1 af5e35fbf657fe06a383f7f6e914081b [0,1,0,1,0,0|2,0,0]=4 11373 B12R1.471 CCC(C)C(=O)COCC1CC1 3458bf19ddee088350a82bbc72bd4079 [0,1,0,1,0,0|2,0,0]=4 11374 B12R1.471 CCC(C)C(C)OCCC1CC1 83e8287b456e2c406eb509c5345935b1 [0,1,0,1,0,0|1,0,1]=4 11375 B12R1.471 CCC(O)C(=O)NCCC1CC1 3d1970795b3b7de76affbde015409f41 [0,1,0,1,0,0|1,0,0]=3 11376 B12R1.471 CCC(O)C(=O)NCCN1CC1 c74ef2fc9a71c56e018b79ee9fd229f2 [0,1,0,1,0,0|2,0,0]=4 11377 B12R1.471 CCN(C)C(=O)CCCC1CC1 bb1413553afddf42015140fad7634262 [0,1,0,1,0,0|2,0,0]=4 11378 B12R1.471 CCN(C)C(=O)NCCC1CC1 f4e55290091d82d4cca4af50fa81027c [0,1,0,1,0,0|2,0,0]=4 11379 B12R1.471 CC[C@@H](O)C(=O)NCCC1CC1 1bf57232cfc2d568c21e02e774c584ab [0,1,0,1,0,0|1,0,0]=3 11380 B12R1.471 CC[C@@H](O)C(=O)NCCN1CC1 3da9f289641c4e809974a5fdb4c3541d [0,1,0,1,0,0|2,0,0]=4 11381 B12R1.471 CC[C@H](O)C(=O)NCCC1CC1 20a8ade90a6858adf75f779864495443 [0,1,0,1,0,0|1,0,0]=3 11382 B12R1.471 CC[C@H](O)C(=O)NCCN1CC1 ca655002c6fa359aa35aa32d4ad71e52 [0,1,0,1,0,0|2,0,0]=4 11383 B12R1.471 CC[C@H](S)C(=O)NCCC1CC1 a8b8c483a7592d20256250a5dff99eeb [0,1,0,1,0,0|1,0,0]=3 11384 B12R1.471 CC[C@H](S)C(=O)NCCN1CC1 05c1a8ecbd2d1cc08e24f26a95ba56ca [0,1,0,1,0,0|2,0,0]=4 11385 B12R1.471 COC(C)C(=O)NCCC1CC1 d6f91a5ed15e5b19bcf87bc0dabf94d4 [0,1,0,1,0,0|2,0,0]=4 11386 B12R1.471 CO[C@@H](C)C(=O)NCCC1CC1 063f70bcb0fec88e1975a5dd2022e89a [0,1,0,1,0,0|2,0,0]=4 11387 B12R1.471 CO[C@H](C)C(=O)NCCC1CC1 f2e596c8e0974ec8d4049d1d07c88984 [0,1,0,1,0,0|2,0,0]=4 11388 B12R1.471 CSC(C)C(=O)NCCC1CC1 6b2ab64e886a52a839b915001dca71b0 [0,1,0,1,0,0|2,0,0]=4 11389 B12R1.471 O=C(NCCC1CC1)C(O)CO 58c4f53c10d54b3078b3ec4752013f79 [0,1,0,1,0,0|2,0,0]=4 11390 B12R1.471 O=C(NCCC1CC1)[C@@H](O)CO faa838ee67d4f9f756cdc88b659d53f4 [0,1,0,1,0,0|2,0,0]=4 11391 B12R1.471 O=C(NCCC1CC1)[C@H](O)CF b09888074da9dc77c9216c243d9f19b4 [0,1,0,1,0,0|2,0,0]=4 11392 B12R1.562 CCCCCOC(C)C1(CC1)C 90f11abf10840bdf8998104340fd0533 [0,1,0,1,0,0|1,0,1]=4 11393 B12R1.562 CCCCNCC(=O)C1(CC1)C 8965e224399c5e255576e4dd1882afe2 [0,1,0,1,0,0|2,0,0]=4 11394 B12R1.562 CCCCNCC(=O)C1(CC1)F cbb59e5f55256aeafd322e86adbe437c [0,1,0,1,0,0|2,0,0]=4 11395 B12R1.562 CCCCOCC(=O)C1(CC1)C 58d6dc92fef7cf5dea9434b8160d0316 [0,1,0,1,0,0|2,0,0]=4 11396 B12R1.562 CCCCOCC(=O)C1(CC1)F 532c211d06c7b121e3e24dbe03c9e292 [0,1,0,1,0,0|2,0,0]=4 11397 B12R1.839 CCC(C)C(=O)CNC1CC1C c5353054f0656d0a9ec05dd526098c80 [0,1,0,1,0,0|2,0,0]=4 11398 B12R1.840 C=C(CC)C(=O)N[C@@H]1CC[C@H]1C 27e7c7556c775678ba819043fd018b1b [0,1,0,1,0,0|1,0,1]=4 11399 B12R1.840 C=C(CC)C(=O)N[C@H]1CC[C@H]1C 916308733d16320f61f3e2c3023ad5e6 [0,1,0,1,0,0|1,0,1]=4 11400 B12R1.840 CCC(=O)C(=O)N[C@@H]1CC[C@H]1C e64008d71dcd71010be64445e11d50c6 [0,1,0,1,0,0|1,0,1]=4 11401 B12R1.840 CCC(=O)C(=O)N[C@H]1CC[C@H]1C d31516eaeb4514cd33555413d8064cf2 [0,1,0,1,0,0|1,0,1]=4 11402 B12R1.840 CCC(O)C(=O)NC1CCC1F f7c255ec79c81de1f927e38f03abee61 [0,1,0,1,0,0|2,0,0]=4 11403 B12R1.840 CCC(O)C(=O)NC1CCC1O 69ec882e877fd53fd12ed2fd0e9b11df [0,1,0,1,0,0|2,0,0]=4 11404 B12R1.840 CCC(O)C(=O)NC1COC1C ab6eb6f794de420e3ae2178498fd4b7a [0,1,0,1,0,0|2,0,0]=4 11405 B12R1.840 CCC(O)C(=O)N[C@@H]1CC[C@@H]1O 988f2617028e4521ca3b0312ea9fd92a [0,1,0,1,0,0|2,0,0]=4 11406 B12R1.840 CCC(O)C(=O)N[C@@H]1CC[C@H]1C ce2389f9cc812c276133e1d7b74147e6 [0,1,0,1,0,0|1,0,0]=3 11407 B12R1.840 CCC(O)C(=O)N[C@@H]1CC[C@H]1O a6872a46abb9014796d66a0f393df4b6 [0,1,0,1,0,0|2,0,0]=4 11408 B12R1.840 CCC(O)C(=O)N[C@H]1CC[C@@H]1O c02e44ca271e657275c367b2c629340b [0,1,0,1,0,0|2,0,0]=4 11409 B12R1.840 CCC(O)C(=O)N[C@H]1CC[C@H]1C f47cc40e4b199b7ba70586811118b8e2 [0,1,0,1,0,0|1,0,0]=3 11410 B12R1.840 CCC(O)C(=O)N[C@H]1CC[C@H]1O be5436fe797d0dfa6620de7750026dff [0,1,0,1,0,0|2,0,0]=4 11411 B12R1.840 CCN(C)C(=O)N[C@@H]1CC[C@H]1C fcd0b43b348b7445cdd1ce08db5ba17d [0,1,0,1,0,0|2,0,0]=4 11412 B12R1.840 CCN(C)C(=O)N[C@H]1CC[C@H]1C 4d5e6cce5d7d454335cd2201832ef88d [0,1,0,1,0,0|2,0,0]=4 11413 B12R1.840 CC[C@@H](O)C(=O)NC1CCC1F bf89577031b436f83fd080ada1f1c463 [0,1,0,1,0,0|2,0,0]=4 11414 B12R1.840 CC[C@@H](O)C(=O)NC1CCC1O 99005b19f12da7969156ca196b99cefe [0,1,0,1,0,0|2,0,0]=4 11415 B12R1.840 CC[C@@H](O)C(=O)NC1COC1C cb8e922e1dec6d34b45fab2fed2d26c6 [0,1,0,1,0,0|2,0,0]=4 11416 B12R1.840 CC[C@@H](O)C(=O)N[C@@H]1CC[C@@H]1O 297e5dcea45e47364c2a951423a03ce1 [0,1,0,1,0,0|2,0,0]=4 11417 B12R1.840 CC[C@@H](O)C(=O)N[C@@H]1CC[C@H]1C 4038db0da19fc803876e8a3a572fdc23 [0,1,0,1,0,0|1,0,0]=3 11418 B12R1.840 CC[C@@H](O)C(=O)N[C@@H]1CC[C@H]1O 7323ac5b1c463472e9ac70e5b2178264 [0,1,0,1,0,0|2,0,0]=4 11419 B12R1.840 CC[C@@H](O)C(=O)N[C@H]1CC[C@@H]1O ce9909a883d1f5948252b27fa87eec36 [0,1,0,1,0,0|2,0,0]=4 11420 B12R1.840 CC[C@@H](O)C(=O)N[C@H]1CC[C@H]1C 5e1507966e0dbb130149c65b26987d19 [0,1,0,1,0,0|1,0,0]=3 11421 B12R1.840 CC[C@@H](O)C(=O)N[C@H]1CC[C@H]1O 25bceb10da9af49d8cd18419aea8954a [0,1,0,1,0,0|2,0,0]=4 11422 B12R1.840 CC[C@H](O)C(=O)NC1CCC1F 46613c5554b94cc80eff74141eac8952 [0,1,0,1,0,0|2,0,0]=4 11423 B12R1.840 CC[C@H](O)C(=O)NC1CCC1O 0d305be17871f0cbb51d6c20fd07497c [0,1,0,1,0,0|2,0,0]=4 11424 B12R1.840 CC[C@H](O)C(=O)NC1COC1C f362729b037a1d9c7dee5f303c0081f0 [0,1,0,1,0,0|2,0,0]=4 11425 B12R1.840 CC[C@H](O)C(=O)N[C@@H]1CC[C@@H]1O fc72169803ea80950e0daf82558f0238 [0,1,0,1,0,0|2,0,0]=4 11426 B12R1.840 CC[C@H](O)C(=O)N[C@@H]1CC[C@H]1C 1f95acb27197ed7e48a817f31003b7d6 [0,1,0,1,0,0|1,0,0]=3 11427 B12R1.840 CC[C@H](O)C(=O)N[C@@H]1CC[C@H]1O f616c2b1f73299f3d0da995f3f01474b [0,1,0,1,0,0|2,0,0]=4 11428 B12R1.840 CC[C@H](O)C(=O)N[C@H]1CC[C@@H]1O 1f922143f5e53e76a0b7dfd5d6fa3c8f [0,1,0,1,0,0|2,0,0]=4 11429 B12R1.840 CC[C@H](O)C(=O)N[C@H]1CC[C@H]1C ee24bcb869ad0d4432a32afbb9790a98 [0,1,0,1,0,0|1,0,0]=3 11430 B12R1.840 CC[C@H](O)C(=O)N[C@H]1CC[C@H]1O c71011f4e91f479212bb6a5798154dfc [0,1,0,1,0,0|2,0,0]=4 11431 B12R1.840 CC[C@H](S)C(=O)NC1CCC1F 5c251d439b04de5b4b8c10b6e2ca3684 [0,1,0,1,0,0|2,0,0]=4 11432 B12R1.840 CC[C@H](S)C(=O)NC1CCC1O 6b22b99b2ce53b36b80007cbe1cf1592 [0,1,0,1,0,0|2,0,0]=4 11433 B12R1.840 CC[C@H](S)C(=O)NC1COC1C dcabe2739e38e3313284aaf4602da253 [0,1,0,1,0,0|2,0,0]=4 11434 B12R1.840 CC[C@H](S)C(=O)N[C@@H]1CC[C@@H]1O 2138b7a8be6f4c3a0b804f341bf9e685 [0,1,0,1,0,0|2,0,0]=4 11435 B12R1.840 CC[C@H](S)C(=O)N[C@@H]1CC[C@H]1C c074ab9de48bcdeaf136cb612412f3d4 [0,1,0,1,0,0|1,0,0]=3 11436 B12R1.840 CC[C@H](S)C(=O)N[C@@H]1CC[C@H]1O 0e45c668f460a29aacf8f3104f316ea4 [0,1,0,1,0,0|2,0,0]=4 11437 B12R1.840 CC[C@H](S)C(=O)N[C@H]1CC[C@@H]1O 12fd7e1a5c14286648331c13489475a3 [0,1,0,1,0,0|2,0,0]=4 11438 B12R1.840 CC[C@H](S)C(=O)N[C@H]1CC[C@H]1C f0cce07836592df219b0c77b828ec047 [0,1,0,1,0,0|1,0,0]=3 11439 B12R1.840 CC[C@H](S)C(=O)N[C@H]1CC[C@H]1O 9d53c71d8f89f514a8265fe5e025cd2d [0,1,0,1,0,0|2,0,0]=4 11440 B12R1.840 COC(C)C(=O)N[C@@H]1CC[C@H]1C 5e21352337f2d333b4cf7723464c4c30 [0,1,0,1,0,0|2,0,0]=4 11441 B12R1.840 COC(C)C(=O)N[C@H]1CC[C@H]1C 5087aa55039a770adae5733a107fa8b6 [0,1,0,1,0,0|2,0,0]=4 11442 B12R1.840 CO[C@@H](C)C(=O)N[C@@H]1CC[C@H]1C 42e301ed461d1f5fcd3413db11822def [0,1,0,1,0,0|2,0,0]=4 11443 B12R1.840 CO[C@@H](C)C(=O)N[C@H]1CC[C@H]1C 4d3391ec5cb6ae1f6fa7a393d878233d [0,1,0,1,0,0|2,0,0]=4 11444 B12R1.840 CO[C@H](C)C(=O)N[C@@H]1CC[C@H]1C 88ae4814e944b9f0e4d9704be48c5376 [0,1,0,1,0,0|2,0,0]=4 11445 B12R1.840 CO[C@H](C)C(=O)N[C@H]1CC[C@H]1C c24d11df71c4fb7d3060586f9f5fbe08 [0,1,0,1,0,0|2,0,0]=4 11446 B12R1.840 CSC(C)C(=O)N[C@@H]1CC[C@H]1C 41beb29354127db3500df9a9b0eab7e5 [0,1,0,1,0,0|2,0,0]=4 11447 B12R1.840 CSC(C)C(=O)N[C@H]1CC[C@H]1C b78dcd1f289505fce011fe5ba4ee2098 [0,1,0,1,0,0|2,0,0]=4 11448 B12R1.840 C[C@@H]1CC[C@@H]1NC(=O)C(O)CO dfe249225c0c09cb55a38fd5b1aa5ace [0,1,0,1,0,0|2,0,0]=4 11449 B12R1.840 C[C@@H]1CC[C@@H]1NC(=O)[C@@H](O)CO 69be5af9e50bde097568fe0a6a4c79d4 [0,1,0,1,0,0|2,0,0]=4 11450 B12R1.840 C[C@@H]1CC[C@@H]1NC(=O)[C@H](O)CF f76eacac466f43af2bd9bcc144a3b2f6 [0,1,0,1,0,0|2,0,0]=4 11451 B12R1.840 C[C@@H]1CC[C@H]1NC(=O)C(O)CO 1be4974fa05733349db051abbef8c95c [0,1,0,1,0,0|2,0,0]=4 11452 B12R1.840 C[C@@H]1CC[C@H]1NC(=O)[C@@H](O)CO c30d3b6af9fa714416906f100186314c [0,1,0,1,0,0|2,0,0]=4 11453 B12R1.840 C[C@@H]1CC[C@H]1NC(=O)[C@H](O)CF 16c583dd214863826b6ee85cd5f3bd85 [0,1,0,1,0,0|2,0,0]=4 11454 B12R1.1965 CCN1CCNC(=O)C1(C)CC be769c3f32d5c959d7d11c3f716ea0f2 [0,1,0,1,0,0|2,0,0]=4 11455 B12R1.25 CCOCC1CCCC(=O)N1C 76b1e526ca58c26bcd21eed0aee038d6 [0,1,0,1,0,0|2,0,0]=4 11456 B12R1.55 CCCC(=O)N(C)C1CCCC1 56deee9d9b7ad0a0c691504b9f4da348 [0,1,0,1,0,0|1,0,0]=3 11457 B12R1.55 CCCC(=O)N(C)C1CCOC1 bdbc54c5f2c5260ea25cb577ace95d1b [0,1,0,1,0,0|2,0,0]=4 11458 B12R1.55 CCCC(=O)N(C)[C@@H]1CCOC1 7733af7fe2c2e6c66a8d3b9959a8f094 [0,1,0,1,0,0|2,0,0]=4 11459 B12R1.55 CCCC(=O)N(C)[C@H]1CCOC1 099154126020b6ac19faf4af08e5b0b5 [0,1,0,1,0,0|2,0,0]=4 11460 B12R1.55 CN(C(=O)CCF)C1CCCC1 eb65029cd7e2f7200fee95d7268c209c [0,1,0,1,0,0|2,0,0]=4 11461 B12R1.55 CN(C(=O)CCO)C1CCCC1 be4acfecaa8ce75544d6035d5050d1dc [0,1,0,1,0,0|2,0,0]=4 11462 B12R1.55 CN(C(=O)CCS)C1CCCC1 c65866c17e979bb9645c3a4367989cb0 [0,1,0,1,0,0|2,0,0]=4 11463 B12R1.55 COCC(=O)N(C)C1CCCC1 b34b565138c0277c7dd2da9b1c6bf5f9 [0,1,0,1,0,0|2,0,0]=4 11464 B12R1.55 CSCC(=O)N(C)C1CCCC1 e7880f5403a2fcf29a97d26802c2c366 [0,1,0,1,0,0|2,0,0]=4 11465 B12R1.312 CCC1CCN(C1)C(=O)CCF 8cbbc3c906fc44c8234d52e1da002cac [0,1,0,1,0,0|2,0,0]=4 11466 B12R1.312 CCC1CCN(C1)C(=O)CCO 47faea54ab668b9544769a1680a779b6 [0,1,0,1,0,0|2,0,0]=4 11467 B12R1.312 CCC1CCN(C1)C(=O)CCS f8aef378c009fb7590b341aab8b6c5e1 [0,1,0,1,0,0|2,0,0]=4 11468 B12R1.312 CCC1CCN(C1)C(=O)COC 16d924bf0a877ae7cf945792e5c4cc7b [0,1,0,1,0,0|2,0,0]=4 11469 B12R1.312 CCC1CCN(C1)C(=O)CSC 5106447a899c68cae075923dbfd1d09b [0,1,0,1,0,0|2,0,0]=4 11470 B12R1.312 CCCC(=O)N1CCC(C1)CC 523ef14985a1b1f4a940e3e5749e23c6 [0,1,0,1,0,0|1,0,0]=3 11471 B12R1.312 CCCC(=O)N1CCC(C1)CO 2a59f2aa7e047f8e613c435c25145cb2 [0,1,0,1,0,0|2,0,0]=4 11472 B12R1.312 CCCC(=O)N1CCC(C1)OC 1de80132e9e0a75cf199392b1d56e172 [0,1,0,1,0,0|2,0,0]=4 11473 B12R1.312 CCCC(=O)N1CC[C@@H](C1)CO b5740ab6ff447e1b7e5280fc9ed0e7f8 [0,1,0,1,0,0|2,0,0]=4 11474 B12R1.312 CCCC(=O)N1CC[C@@H](C1)OC a2bd47e9fea6d24dd0936f1f197b9166 [0,1,0,1,0,0|2,0,0]=4 11475 B12R1.312 CCCC(=O)N1CC[C@H](C1)CO b0208ea09607fc0a524395b32229c0b6 [0,1,0,1,0,0|2,0,0]=4 11476 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC e0c35d5ec5791b8ea88a051665f55c28 [0,1,0,1,0,0|2,0,0]=4 11477 B12R1.554 CCCC(=O)C(=O)NC1CC1C 38dcad951078372e0db70d3f391bc6c6 [0,1,0,1,0,0|2,0,0]=4 11478 B12R1.555 CCCC(=O)C(=O)NC1CCC1 4f002886bd9c1faf2317f463563c6c44 [0,1,0,1,0,0|2,0,0]=4 11479 B12R1.555 CCCC(=O)N(C)CC1CCC1 651784ce873783c3dab185ac47251a11 [0,1,0,1,0,0|1,0,0]=3 11480 B12R1.555 CCCC(=O)N(C)CC1COC1 99ae96d2d02c675cee76cf9e763f8ff3 [0,1,0,1,0,0|2,0,0]=4 11481 B12R1.555 CN(CC1CCC1)C(=O)CCF 1b0d841baa1743b8e0510513df455e7b [0,1,0,1,0,0|2,0,0]=4 11482 B12R1.555 CN(CC1CCC1)C(=O)CCO da0ee2512c90388945e82c535f8d3ef5 [0,1,0,1,0,0|2,0,0]=4 11483 B12R1.555 CN(CC1CCC1)C(=O)CCS 26e6683b921e674060dff0e4d7c8da3e [0,1,0,1,0,0|2,0,0]=4 11484 B12R1.555 COCC(=O)N(C)CC1CCC1 364c69d4ff5095c41438e68ca41303b3 [0,1,0,1,0,0|2,0,0]=4 11485 B12R1.555 CSCC(=O)N(C)CC1CCC1 8b9a773bbd477b240c6be535f85378e0 [0,1,0,1,0,0|2,0,0]=4 11486 B12R1.556 CCCC(=O)C(=O)NCC1CC1 07a2c91387343019a946d3b7d393c2ee [0,1,0,1,0,0|2,0,0]=4 11487 B12R1.652 CCC1C(=O)N(CCN1CC)C 436d6f5be91134a715bf4d07a93b3452 [0,1,0,1,0,0|2,0,0]=4 11488 B12R1.689 CCCCNC(=O)C(=O)C1CC1 b02cae744c82ed627143fbbd8604b588 [0,1,0,1,0,0|2,0,0]=4 11489 B12R1.689 CCCCNC(C)C(=O)C1CC1 e9e660911456ef07ff866086f5070b82 [0,1,0,1,0,0|2,0,0]=4 11490 B12R1.689 CCCCOC(C)C(=O)C1CC1 c8e8a1a911f9bc71a6ab2c3a41068dc1 [0,1,0,1,0,0|2,0,0]=4 11491 B12R1.3204 CCCOCC1(CCCC1=O)C e0f52260e7399082704014cfd6fec503 [0,1,0,1,0,0|2,0,0]=4 11492 B12R1.3 CCCN(C=O)C1CCCCC1 ba3a3d36e16337f5655ce0c30f8b1c7b [0,1,0,1,0,0|2,0,0]=4 11493 B12R1.72 C#CC(CCC)OC1CCCC1 f20289cfc070996b11a065fd8be8bef6 [0,1,0,1,0,0|1,0,1]=4 11494 B12R1.72 C=CC(CCC)OC1CCCC1 aca979dfb9e2eaf9b3aca9667ca2db87 [0,1,0,1,0,0|1,0,1]=4 11495 B12R1.72 CCCC(C#N)OC1CCCC1 0bac07d76ad757639a2c8b02060e2449 [0,1,0,1,0,0|1,0,1]=4 11496 B12R1.72 CCCC(CC)OC1CCCC1 164aacf9ee88b0f861e42359ddb13f0d [0,1,0,1,0,0|1,0,1]=4 11497 B12R1.72 CCC[C@@H](CC)OC1CCCC1 9e780a2bb42c134703ef4beb160abdc4 [0,1,0,1,0,0|1,0,1]=4 11498 B12R1.137 C#CC(CCC)OCC1CCC1 0077afc3a49b2e99080151ffa347ca95 [0,1,0,1,0,0|1,0,1]=4 11499 B12R1.137 C=CC(CCC)OCC1CCC1 63c9eb12b2baac244d434e4e62afb389 [0,1,0,1,0,0|1,0,1]=4 11500 B12R1.137 CCCC(C#N)OCC1CCC1 61baa29133868fd5dfb02b84383e7dbd [0,1,0,1,0,0|1,0,1]=4 11501 B12R1.137 CCCC(CC)OCC1CCC1 72cea0bbe5751abab6a02d6c204ccc7f [0,1,0,1,0,0|1,0,1]=4 11502 B12R1.137 CCC[C@@H](CC)OCC1CCC1 d9aad78da67af787438f9a4cfb3c9569 [0,1,0,1,0,0|1,0,1]=4 11503 B12R1.138 C#CC(CCC)OCCC1CC1 f6b29fc63e51c3b1fba078cf11a71688 [0,1,0,1,0,0|1,0,1]=4 11504 B12R1.138 C=CC(CCC)OCCC1CC1 955da773115527ff4f76dffba6137baa [0,1,0,1,0,0|1,0,1]=4 11505 B12R1.138 CCCC(C#N)OCCC1CC1 7400b036398f8c9bcb742a0cf3956d5c [0,1,0,1,0,0|1,0,1]=4 11506 B12R1.138 CCCC(CC)OCCC1CC1 8bff325bf8f80eff11ae59fc2022f940 [0,1,0,1,0,0|1,0,1]=4 11507 B12R1.138 CCC[C@@H](CC)OCCC1CC1 7149b4abb32963075281921e7f60de44 [0,1,0,1,0,0|1,0,1]=4 11508 B12R1.572 CCCCCOC(C#N)C1CC1 e3db4756cdf4cafa361002d19cee2348 [0,1,0,1,0,0|1,0,1]=4 11509 B12R1.572 CCCCCOC(CC)C1CC1 9e95999adf249fd9913cc833aaf9b89a [0,1,0,1,0,0|1,0,1]=4 11510 B12R1.610 CCCC(CC)OCC1CC1C 2d47dfeee8e092898fe6ef254f1fb353 [0,1,0,1,0,0|1,0,1]=4 11511 B12R1.610 CCCC(CC)OC[C@@H]1C[C@@H]1C 225212f081ef9d65eff330d75ffdb8b8 [0,1,0,1,0,0|1,0,1]=4 11512 B12R1.610 CCCC(CC)OC[C@@H]1C[C@H]1C 2ab200e06545cd95a72e10c7e579366a [0,1,0,1,0,0|1,0,1]=4 11513 B12R1.610 CCCC(CC)OC[C@H]1C[C@@H]1C 3378770c50743fa034d1fe5997bcce6f [0,1,0,1,0,0|1,0,1]=4 11514 B12R1.16 CC1CCN(CC1)C(=O)CCF 17e26a40d40bd1a74c4b48270bc9e143 [0,1,0,1,0,0|2,0,0]=4 11515 B12R1.16 CC1CCN(CC1)C(=O)CCO c8f1748164c80d52812c349d3809b12d [0,1,0,1,0,0|2,0,0]=4 11516 B12R1.16 CC1CCN(CC1)C(=O)CCS e6b3577333ceb086f3acae7dfcd77698 [0,1,0,1,0,0|2,0,0]=4 11517 B12R1.16 CCCC(=O)N1CCC(CC1)C 23c13642fbb293b1ecce1385e683f866 [0,1,0,1,0,0|1,0,0]=3 11518 B12R1.16 CCCC(=O)N1CCC(CC1)Cl 51f2d25419fc2497a9235127b7d16a04 [0,1,0,1,0,0|1,0,0]=3 11519 B12R1.16 CCCC(=O)N1CCC(CC1)F 1ce748132d23ea85b667f84b5ff4fb1d [0,1,0,1,0,0|1,0,0]=3 11520 B12R1.16 CCCC(=O)N1CCC(CC1)I 53f96568adaaa76b1cf02c498a33e122 [0,1,0,1,0,0|1,0,0]=3 11521 B12R1.16 CCCC(=O)N1CCC(CC1)O dff86cd76f333260b5737374b7da3c84 [0,1,0,1,0,0|1,0,0]=3 11522 B12R1.16 CCCC(=O)N1CCN(CC1)C 20bbeff5b6042cd07396b427898b8e7f [0,1,0,1,0,0|2,0,0]=4 11523 B12R1.16 COCC(=O)N1CCC(CC1)C 5d393433f52b81ecaad68fd6a57b667e [0,1,0,1,0,0|2,0,0]=4 11524 B12R1.16 COCC(=O)N1CCC(CC1)Cl f7ccc4d0798ac391baf98c4ef85c99ac [0,1,0,1,0,0|2,0,0]=4 11525 B12R1.16 COCC(=O)N1CCC(CC1)F e2783c80d0874d19fe1c0787297fa8c4 [0,1,0,1,0,0|2,0,0]=4 11526 B12R1.16 COCC(=O)N1CCC(CC1)I 9c055a71dfb090220f19cc54cf20d53b [0,1,0,1,0,0|2,0,0]=4 11527 B12R1.16 COCC(=O)N1CCC(CC1)O 9c9d1bfffeec88315c575b489c405e43 [0,1,0,1,0,0|2,0,0]=4 11528 B12R1.16 CSCC(=O)N1CCC(CC1)C 4fea61568fd8224756bf48cffe7036a9 [0,1,0,1,0,0|2,0,0]=4 11529 B12R1.16 CSCC(=O)N1CCC(CC1)Cl 7511a93b4cca36b2822b93888dbb25d8 [0,1,0,1,0,0|2,0,0]=4 11530 B12R1.16 CSCC(=O)N1CCC(CC1)F bbdce79af24d16a7b53e31b269878e41 [0,1,0,1,0,0|2,0,0]=4 11531 B12R1.16 CSCC(=O)N1CCC(CC1)I ce5408e5ade858cd92d6b9ee7fc0ca64 [0,1,0,1,0,0|2,0,0]=4 11532 B12R1.16 CSCC(=O)N1CCC(CC1)O 16d779f8b1c3e6d17915f37262a0aebe [0,1,0,1,0,0|2,0,0]=4 11533 B12R1.16 O=C(CCF)N1CCC(CC1)Cl 344560a119bfa87f005b7f17c545bbb1 [0,1,0,1,0,0|2,0,0]=4 11534 B12R1.16 O=C(CCF)N1CCC(CC1)F f08ae8efa9c8b81414e9c4dfbe1a4418 [0,1,0,1,0,0|2,0,0]=4 11535 B12R1.16 O=C(CCF)N1CCC(CC1)I d789930b93bf17116712b71341bb957a [0,1,0,1,0,0|2,0,0]=4 11536 B12R1.16 O=C(CCF)N1CCC(CC1)O e14b727bff3568abde6ade4084dc5afa [0,1,0,1,0,0|2,0,0]=4 11537 B12R1.16 O=C(CCO)N1CCC(CC1)Cl 0b7284318e3ce5b06dd5d1686676cf16 [0,1,0,1,0,0|2,0,0]=4 11538 B12R1.16 O=C(CCO)N1CCC(CC1)F d1f67d6b0a7a16ef3472c09cc4dce2ed [0,1,0,1,0,0|2,0,0]=4 11539 B12R1.16 O=C(CCO)N1CCC(CC1)I 1a0d6ca2ef29b0e2dca1472e2b06ad31 [0,1,0,1,0,0|2,0,0]=4 11540 B12R1.16 O=C(CCO)N1CCC(CC1)O 7ab25067aea95a9b1ffbfaa0a6744ecc [0,1,0,1,0,0|2,0,0]=4 11541 B12R1.16 O=C(CCS)N1CCC(CC1)Cl 60e3074d3a577eb00bd9cfe38690ecac [0,1,0,1,0,0|2,0,0]=4 11542 B12R1.16 O=C(CCS)N1CCC(CC1)F e6a42eecc08b80dca02ecd1b9008c0e9 [0,1,0,1,0,0|2,0,0]=4 11543 B12R1.16 O=C(CCS)N1CCC(CC1)I e7f1094dae456707ac7756a484af5003 [0,1,0,1,0,0|2,0,0]=4 11544 B12R1.16 O=C(CCS)N1CCC(CC1)O 0eaa09395addc1b473c268b762f6f9d3 [0,1,0,1,0,0|2,0,0]=4 11545 B12R1.50 CCC(C)CN1CCCC(=O)C1 0319f05b64bc028c178ed432530dec29 [0,1,0,1,0,0|2,0,0]=4 11546 B12R1.50 CCC(C)NC1CCCC(=O)C1 fabf32750d69f1324d59558471afc109 [0,1,0,1,0,0|2,0,0]=4 11547 B12R1.50 CCC(O)CN1CCCC(=O)C1 a3476dbfd05c2581788a54e2159d1e3f [0,1,0,1,0,0|2,0,0]=4 11548 B12R1.50 CC[C@@H](C)CN1CCCC(=O)C1 c531552e0a8ea267755761312c400a34 [0,1,0,1,0,0|2,0,0]=4 11549 B12R1.50 CC[C@@H](C)NC1CCCC(=O)C1 92df84eae4eb3a0550f63e1ea2bd7c23 [0,1,0,1,0,0|2,0,0]=4 11550 B12R1.50 CC[C@H](C)CN1CCCC(=O)C1 4ca7a8fd7d7dd37b5a4b2462215e770e [0,1,0,1,0,0|2,0,0]=4 11551 B12R1.50 CC[C@H](C)NC1CCCC(=O)C1 18278269ab933e5d568359509ed77f88 [0,1,0,1,0,0|2,0,0]=4 11552 B12R1.353 CCC(C)CNC1CCCC1=O 847ccccd669cc16036aa3683becb570f [0,1,0,1,0,0|2,0,0]=4 11553 B12R1.353 CCC(C)COC1CCCC1=O 0a0d0b2981db4721fb14b3b8892c5d8e [0,1,0,1,0,0|2,0,0]=4 11554 B12R1.353 CCC(C)NCN1CCCC1=O 9bb676a46ab356310e01e339d7e36084 [0,1,0,1,0,0|2,0,0]=4 11555 B12R1.353 CCC(C)OCC1CCCC1=O 37454923ba302bffb23791918d6b0833 [0,1,0,1,0,0|2,0,0]=4 11556 B12R1.353 CCC(C)OCN1CCCC1=O 00f316f66af474635943cac5930d3bcd [0,1,0,1,0,0|2,0,0]=4 11557 B12R1.353 CCC(O)CNC1CCCC1=O 12fd9785bcd14f7edb19c6fe30986515 [0,1,0,1,0,0|2,0,0]=4 11558 B12R1.353 CCN(C)CCN1CCCC1=O 7f542a9e61dfc3a75a749ea9f0f16193 [0,1,0,1,0,0|2,0,0]=4 11559 B12R1.353 CC[C@@H](C)COC1CCCC1=O 371e7aab76d875c526fba0ee4936de0f [0,1,0,1,0,0|2,0,0]=4 11560 B12R1.353 CC[C@@H](C)NCN1CCCC1=O 7298e4f3ebe203d6afec777ff18de6b6 [0,1,0,1,0,0|2,0,0]=4 11561 B12R1.353 CC[C@@H](C)OCN1CCCC1=O 58406c1f101b979ef699b05460cdb416 [0,1,0,1,0,0|2,0,0]=4 11562 B12R1.353 CC[C@@H](O)CNC1CCCC1=O 7bc7bbce4986b6c424a3cc0ac542ebe4 [0,1,0,1,0,0|2,0,0]=4 11563 B12R1.353 CC[C@H](C)CNC1CCCC1=O 7d51878d1f3e8043b49e1de06d847120 [0,1,0,1,0,0|2,0,0]=4 11564 B12R1.353 CC[C@H](C)COC1CCCC1=O 80aa56aa5f0675be923955aeb6d67edb [0,1,0,1,0,0|2,0,0]=4 11565 B12R1.353 CC[C@H](C)NCN1CCCC1=O afafbb399bd1a61e5e2783c007998290 [0,1,0,1,0,0|2,0,0]=4 11566 B12R1.353 CC[C@H](C)OCN1CCCC1=O d4798c61bdbfab392f872d8a2e0c9f11 [0,1,0,1,0,0|2,0,0]=4 11567 B12R1.394 CCC(C)CCOC1CC(C1)C ef3122f8368f0451f38c4b39fe3cda0c [0,1,0,1,0,0|1,0,1]=4 11568 B12R1.477 CCC(C)CCOC1CCCC1 b18e04e977403b76a199b7912a4082c3 [0,1,0,1,0,0|1,0,1]=4 11569 B12R1.477 CCC(C)CCOC1CCCO1 b05c375f9443d4f928bb805d6b55c59b [0,1,0,1,0,0|0,0,2]=4 11570 B12R1.477 CCC(S)CCOC1CCCC1 f8f456de467d2a7a86f5898da5916e51 [0,1,0,1,0,0|1,0,1]=4 11571 B12R1.477 CC[C@H](C)CCOC1CCCC1 9d9271cca5f239fe2504ac11df1970ca [0,1,0,1,0,0|1,0,1]=4 11572 B12R1.532 CCC(C)OC1OC(=O)CC1C a7e2b0146e570b72f805469cb98414e9 [0,1,0,1,0,0|1,0,0]=3 11573 B12R1.1527 CCCC(=O)CNCC1(CC1)F c62d4d4827a8220c3a97bf658bbe1e62 [0,1,0,1,0,0|2,0,0]=4 11574 B12R1.1527 CCCC(=O)CNCC1(CC1)O 3a09ac0c1203813192c56aeb857205fe [0,1,0,1,0,0|2,0,0]=4 11575 B12R1.1527 CCCC(=O)COCC1(CC1)Br 595bccdd3187eb557d167db50db8a49e [0,1,0,1,0,0|2,0,0]=4 11576 B12R1.1527 CCCC(=O)COCC1(CC1)C 00b1c18049b7e4814fde4355cfe00db2 [0,1,0,1,0,0|2,0,0]=4 11577 B12R1.1527 CCCC(=O)COCC1(CC1)Cl c46b0dc37a76ba8569e5aca8d1539eba [0,1,0,1,0,0|2,0,0]=4 11578 B12R1.1527 CCCC(=O)COCC1(CC1)F 8003a5a8fd82b132ac913eec425b1b14 [0,1,0,1,0,0|2,0,0]=4 11579 B12R1.1527 CCCC(=O)NCCC1(CC1)O eabf22e0d3d70fd2db039db369bd1fd6 [0,1,0,1,0,0|1,0,0]=3 11580 B12R1.1527 CCCC(=O)OCNC1(CC1)C ef2852b775a0e46a78e3b6a63cb019a9 [0,1,0,1,0,0|1,0,0]=3 11581 B12R1.1527 CCOC(=O)OCNC1(CC1)C 03cc449ca4431b1401703d0143083939 [0,1,0,1,0,0|2,0,0]=4 11582 B12R1.1527 CCSC(=O)OCNC1(CC1)C d3068deb7b99f82098f32fd54c1b8b9f [0,1,0,1,0,0|2,0,0]=4 11583 B12R1.1527 COCC(=O)NCCC1(CC1)O aa43a1d743b029137cb243dc5626949f [0,1,0,1,0,0|2,0,0]=4 11584 B12R1.1527 CSCC(=O)NCCC1(CC1)O b345e3a86083f91770fc3e6b3438820e [0,1,0,1,0,0|2,0,0]=4 11585 B12R1.1527 O=C(CCF)NCCC1(CC1)O 2ecefb63c5288ad6113a13e0df124557 [0,1,0,1,0,0|2,0,0]=4 11586 B12R1.1527 O=C(CCO)NCCC1(CC1)O d8456053737d11104dbc3e0b28086859 [0,1,0,1,0,0|2,0,0]=4 11587 B12R1.1527 O=C(CCS)NCCC1(CC1)O 72b23660b15ac4652c737906ef6742fd [0,1,0,1,0,0|2,0,0]=4 11588 B12R1.1579 CC1C(CCN1C(=O)CCF)O 65d7e54e7ec12e91fe721a79a2feacbf [0,1,0,1,0,0|2,0,0]=4 11589 B12R1.1579 CC1C(CCN1C(=O)CCO)O 5be3f41d8e3f9c1705401d88b72d3821 [0,1,0,1,0,0|2,0,0]=4 11590 B12R1.1579 CC1C(CCN1C(=O)CCS)O 910313bea794871bf212fca29fb26d8a [0,1,0,1,0,0|2,0,0]=4 11591 B12R1.1579 CCCC(=O)N1CCC(C1C)O 5e2ac15204006b04d3f39438b31542c1 [0,1,0,1,0,0|1,0,0]=3 11592 B12R1.1579 CCCC(=O)N1CC[C@@H]([C@@H]1C)O 3996ac3906ecd6f08b3c5c1ed57215bf [0,1,0,1,0,0|1,0,0]=3 11593 B12R1.1579 CCCC(=O)N1CC[C@H]([C@H]1C)O 6c0567ead425ddb5cfe7adb2860534ef [0,1,0,1,0,0|1,0,0]=3 11594 B12R1.1579 COCC(=O)N1CCC(C1C)O bb7bbc212ac4952bd6cdd350728d56b1 [0,1,0,1,0,0|2,0,0]=4 11595 B12R1.1579 COCC(=O)N1CC[C@@H]([C@@H]1C)O 7ee6dfcf7f394b98a97e1eb13abdb80c [0,1,0,1,0,0|2,0,0]=4 11596 B12R1.1579 COCC(=O)N1CC[C@H]([C@H]1C)O 51fdad3dc8a823f01426f3b17a63e02e [0,1,0,1,0,0|2,0,0]=4 11597 B12R1.1579 CSCC(=O)N1CCC(C1C)O a8614f6e8ac49e1276026ac49ca719fd [0,1,0,1,0,0|2,0,0]=4 11598 B12R1.1579 CSCC(=O)N1CC[C@@H]([C@@H]1C)O 19b54b3e684ff24a87b6763c35583ac8 [0,1,0,1,0,0|2,0,0]=4 11599 B12R1.1579 CSCC(=O)N1CC[C@H]([C@H]1C)O e37d65abf8e6d8af156d6abc915c2bc6 [0,1,0,1,0,0|2,0,0]=4 11600 B12R1.1579 C[C@@H]1[C@@H](CCN1C(=O)CCF)O 445c02813a8d177959a707fdbbf7997a [0,1,0,1,0,0|2,0,0]=4 11601 B12R1.1579 C[C@@H]1[C@@H](CCN1C(=O)CCO)O 26bb7049aaf53e0e6f3eb9589c2ca5b2 [0,1,0,1,0,0|2,0,0]=4 11602 B12R1.1579 C[C@@H]1[C@@H](CCN1C(=O)CCS)O 91833a420dccbf18b35d619e541ca0f6 [0,1,0,1,0,0|2,0,0]=4 11603 B12R1.1579 C[C@H]1[C@H](CCN1C(=O)CCF)O 99554ecda2a3e01c78ab6cabcaa771de [0,1,0,1,0,0|2,0,0]=4 11604 B12R1.1579 C[C@H]1[C@H](CCN1C(=O)CCO)O 840912a2a21aadf6b536a6af46ac4f63 [0,1,0,1,0,0|2,0,0]=4 11605 B12R1.1579 C[C@H]1[C@H](CCN1C(=O)CCS)O 5e409a3787229f61aff1a1e60f0f39dc [0,1,0,1,0,0|2,0,0]=4 11606 B12R1.1658 CCC(C)N1CCCC(=O)CC1 edeec1574846ac8d9e0bfa40bc304cbd [0,1,0,1,0,0|2,0,0]=4 11607 B12R1.1689 CC(CO)NCOC(=O)C1CC1 94793032b88830cae3d1922c8710d602 [0,1,0,1,0,0|2,0,0]=4 11608 B12R1.1689 CCC(C)CCOC(C)C1CC1 593fa48717a3735f2a073996199d9ef4 [0,1,0,1,0,0|1,0,1]=4 11609 B12R1.1689 CCC(C)CCO[C@@H](C)C1CC1 db1fd2b975b42eec17f45274b3c020c4 [0,1,0,1,0,0|1,0,1]=4 11610 B12R1.1689 CCC(C)CCO[C@H](C)C1CC1 e5e050495e69f7f99b935dd458ca9115 [0,1,0,1,0,0|1,0,1]=4 11611 B12R1.1689 CCC(C)CNCC(=O)C1CC1 7b921c7dec0a4a3000b08739356b6187 [0,1,0,1,0,0|2,0,0]=4 11612 B12R1.1689 CCC(C)COCC(=O)C1CC1 1ca2286e84e8ceb09a635c856b50ad90 [0,1,0,1,0,0|2,0,0]=4 11613 B12R1.1689 CCC(O)CNCC(=O)C1CC1 484272d0f1147bd9ebfd8d38d9b2958c [0,1,0,1,0,0|2,0,0]=4 11614 B12R1.1689 CCC(S)CCOC(C)C1CC1 bc4502dd699fb1bea534f4f02d406758 [0,1,0,1,0,0|1,0,1]=4 11615 B12R1.1689 CC[C@@H](C)COCC(=O)C1CC1 644922c5261e2502ea1ccddb4c03f274 [0,1,0,1,0,0|2,0,0]=4 11616 B12R1.1689 CC[C@@H](O)CNCC(=O)C1CC1 a3184327e895c3c78e820735a0019811 [0,1,0,1,0,0|2,0,0]=4 11617 B12R1.1689 CC[C@H](C)CCOC(C)C1CC1 c12e88013d1daa535c1b85078393276d [0,1,0,1,0,0|1,0,1]=4 11618 B12R1.1689 CC[C@H](C)CNCC(=O)C1CC1 5fa8eda1c3b0e6f7d6b533fc89df5269 [0,1,0,1,0,0|2,0,0]=4 11619 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 9adfc63d8ff92d9dbf65805952cfe3ef [0,1,0,1,0,0|2,0,0]=4 11620 B12R1.1689 C[C@@H](CO)NCOC(=O)C1CC1 da2465c058b229af6f286f1e8560d9ce [0,1,0,1,0,0|2,0,0]=4 11621 B12R1.1689 C[C@H](CO)NCOC(=O)C1CC1 558976cb4133f88a82b99fd1ed632443 [0,1,0,1,0,0|2,0,0]=4 11622 B12R1.87 CCC1C(=O)NCCN1C(C)C 4f8935aed114f6250bc709483c7e96ec [0,1,0,1,0,0|2,0,0]=4 11623 B12R1.130 CC(C)CCOC1CCCC1=O d88d313049e0fc1e3ac7c43d24fe8987 [0,1,0,1,0,0|2,0,0]=4 11624 B12R1.130 CC(C)CNCN1CCCC1=O 3d7f9c82541f967bda6cb9060827ff6a [0,1,0,1,0,0|2,0,0]=4 11625 B12R1.130 CC(C)COCC1CCCC1=O f792d4269ccf6c55fef908e464db1764 [0,1,0,1,0,0|2,0,0]=4 11626 B12R1.130 CC(C)COCN1CCCC1=O 2efb7815a06de04306e859cf532dfa48 [0,1,0,1,0,0|2,0,0]=4 11627 B12R1.130 CC(C)NCCN1CCCC1=O 65f715d23a0174875563ea472b9f55f9 [0,1,0,1,0,0|2,0,0]=4 11628 B12R1.130 CC(C)OCCN1CCCC1=O 5d0fe27852e2ed1c7cf3f31290c24bc3 [0,1,0,1,0,0|2,0,0]=4 11629 B12R1.130 CC(F)COCN1CCCC1=O e2f82f047cbe8fa69d0ffaafaacfa51c [0,1,0,1,0,0|2,0,0]=4 11630 B12R1.130 CC(O)CNCN1CCCC1=O 1c237ab01eb51417404ddf5874166f88 [0,1,0,1,0,0|2,0,0]=4 11631 B12R1.130 CC(S)COCN1CCCC1=O 8171c271757a8ee7dfc1a6e87405da2d [0,1,0,1,0,0|2,0,0]=4 11632 B12R1.130 C[C@@H](F)COCN1CCCC1=O c0f163addeb7a35087c45a9350887fb8 [0,1,0,1,0,0|2,0,0]=4 11633 B12R1.130 C[C@@H](O)CNCN1CCCC1=O 5287f7ffa7eb0f05aca0dfb8f1c70be3 [0,1,0,1,0,0|2,0,0]=4 11634 B12R1.130 C[C@H](F)COCN1CCCC1=O 78ceb3170e7b571b163ba976dae35972 [0,1,0,1,0,0|2,0,0]=4 11635 B12R1.130 C[C@H](O)CNCN1CCCC1=O b924ee89b23affbb04a85d4a2bc82e48 [0,1,0,1,0,0|2,0,0]=4 11636 B12R1.220 CC(C)CCCOC1CC(C1)C bc11c588125a7b9bc3b69db00075e2af [0,1,0,1,0,0|1,0,1]=4 11637 B12R1.226 CC(C)CCN1CCCC(=O)C1 a830a54d7502cdb7a8d1d4f3c1814ed8 [0,1,0,1,0,0|2,0,0]=4 11638 B12R1.226 CC(C)CNC1CCCC(=O)C1 c04d3cac56f15411c34bc5dc448e32a6 [0,1,0,1,0,0|2,0,0]=4 11639 B12R1.226 CC(C)COC1CCCC(=O)C1 40de33f5f91a93c281e6a10897222e6f [0,1,0,1,0,0|2,0,0]=4 11640 B12R1.226 CC(C)NCC1CCCC(=O)N1 dbc11154bde39ec7fe9017b59ee30dea [0,1,0,1,0,0|2,0,0]=4 11641 B12R1.226 CC(C)OCC1CCCC(=O)C1 c7210364458c9cb6e1b32b7682bb772a [0,1,0,1,0,0|2,0,0]=4 11642 B12R1.226 CC(C)OCC1CCCC(=O)N1 033ee7da4e7de3285d99dfed2a22b570 [0,1,0,1,0,0|2,0,0]=4 11643 B12R1.226 CC(C)OC[C@@H]1CCCC(=O)N1 4bdda04af8846d2ec6ae9f9a0da4048e [0,1,0,1,0,0|2,0,0]=4 11644 B12R1.226 CC(C)OC[C@H]1CCCC(=O)N1 e1950809fe61f656568bb84b34475e28 [0,1,0,1,0,0|2,0,0]=4 11645 B12R1.226 CC(O)CCN1CCCC(=O)C1 8105f0c5fac9fcbfb9b4f75863e4cf6b [0,1,0,1,0,0|2,0,0]=4 11646 B12R1.226 CC(O)CNC1CCCC(=O)C1 0f7085393e2563cee3541728d027a532 [0,1,0,1,0,0|2,0,0]=4 11647 B12R1.226 C[C@@H](O)CNC1CCCC(=O)C1 6216f22f5bb7760e6d94729726e2b8fd [0,1,0,1,0,0|2,0,0]=4 11648 B12R1.226 C[C@H](O)CNC1CCCC(=O)C1 8f87c196c4710af1c495c93202cc4b48 [0,1,0,1,0,0|2,0,0]=4 11649 B12R1.233 CC(C)OC1CCC(=O)CC1C 18beb762311a949943fac8cebc95469c [0,1,0,1,0,0|2,0,0]=4 11650 B12R1.255 CC(C)CCCOC1CCCC1 4b8f1f37b87b0335211d3231961aadc9 [0,1,0,1,0,0|1,0,1]=4 11651 B12R1.255 CC(C)CCCOC1CCCO1 6580db3bf17a8833c31b1cbd4a4b8177 [0,1,0,1,0,0|0,0,2]=4 11652 B12R1.317 CC1(CCCN1C(=O)CCF)C 934bcf482557c2d8fc1c2ce674a31d95 [0,1,0,1,0,0|2,0,0]=4 11653 B12R1.317 CC1(CCCN1C(=O)CCO)C 8bc889b7f70993f2b57940a7646c1f04 [0,1,0,1,0,0|2,0,0]=4 11654 B12R1.317 CC1(CCCN1C(=O)CCS)C 29435085423504691864be5c2772c5cf [0,1,0,1,0,0|2,0,0]=4 11655 B12R1.317 CCCC(=O)N1CCCC1(C)C 788279873d02db464cc371e9e237e978 [0,1,0,1,0,0|1,0,0]=3 11656 B12R1.317 COCC(=O)N1CCCC1(C)C e1abfe231cd9b04ae51600569a23741d [0,1,0,1,0,0|2,0,0]=4 11657 B12R1.317 CSCC(=O)N1CCCC1(C)C 721e29f30024c18df078072f0cde12e4 [0,1,0,1,0,0|2,0,0]=4 11658 B12R1.861 C=C(C)COC1OC(=O)CC1C c5925d268643205270fbaf42bac32d0a [0,1,0,1,0,0|1,0,1]=4 11659 B12R1.861 CC(C)COC1OC(=O)CC1C f2f9852cea3830e663b4e30635d8f8f6 [0,1,0,1,0,0|1,0,0]=3 11660 B12R1.861 CC1CC(=O)OC1OCC(F)F d34e994a52af9d2fc5db1e3627cd5067 [0,1,0,1,0,0|2,0,0]=4 11661 B12R1.861 CC1CC(=O)OC1OCN(C)C e1eec7a06cbfa25498013dee5e650b3a [0,1,0,1,0,0|2,0,0]=4 11662 B12R1.878 CC(C)N1CCNC(=O)CC1C 59c629275e5a210ea3f78228e387c887 [0,1,0,1,0,0|2,0,0]=4 11663 B12R1.1020 CC(C)CN1CCCC(=O)CC1 8953ab876e11f55965977f34609677a3 [0,1,0,1,0,0|2,0,0]=4 11664 B12R1.1020 CC(C)OC1CCCC(=O)NC1 79080301903acbb98511a326fcb42ca1 [0,1,0,1,0,0|2,0,0]=4 11665 B12R1.1020 CC(O)CN1CCCC(=O)CC1 2c47d410ec5bf0605c7a4ab6b061e42e [0,1,0,1,0,0|2,0,0]=4 11666 B12R1.1020 C[C@H](O)CN1CCCC(=O)CC1 b146f8d6fcb2fd046371774580f24917 [0,1,0,1,0,0|2,0,0]=4 11667 B12R1.1356 C=C(C)CNCOC(=O)C1CC1 a677111cc84e6a2071cd3f64eca04ad2 [0,1,0,1,0,0|1,0,1]=4 11668 B12R1.1356 C=C(C)COCOC(=O)C1CC1 5848f632e27499ece31e85c675a8dbec [0,1,0,1,0,0|1,0,1]=4 11669 B12R1.1356 CC(=O)CNCOC(=O)C1CC1 699b2bb36d343db64412d1fcbaff21f8 [0,1,0,1,0,0|1,0,1]=4 11670 B12R1.1356 CC(=O)COCOC(=O)C1CC1 a8a72c484798e7e0c0e0d2c6851f2f60 [0,1,0,1,0,0|1,0,1]=4 11671 B12R1.1356 CC(C)CCCOC(C)C1CC1 4dd04c70e06bff0ad31678de2a2a549c [0,1,0,1,0,0|1,0,1]=4 11672 B12R1.1356 CC(C)CCCO[C@@H](C)C1CC1 54a6f3daf9ab57dec3a767bc76ad0b97 [0,1,0,1,0,0|1,0,1]=4 11673 B12R1.1356 CC(C)CCCO[C@H](C)C1CC1 72f7851fa578d6aceb458334d22ed2dd [0,1,0,1,0,0|1,0,1]=4 11674 B12R1.1356 CC(C)CCNCC(=O)C1CC1 5a1108c8a1d8f1fb4386f92c1b20e020 [0,1,0,1,0,0|2,0,0]=4 11675 B12R1.1356 CC(C)CCOCC(=O)C1CC1 9af0b581ae5efc9f4b14c744f7808d96 [0,1,0,1,0,0|2,0,0]=4 11676 B12R1.1356 CC(C)CNCOC(=O)C1CC1 a4eb2e1ef64e2c41f542fdb505e8b60f [0,1,0,1,0,0|1,0,0]=3 11677 B12R1.1356 CC(C)COCOC(=O)C1CC1 da76e826229dcdc03f7b5655fcd071ea [0,1,0,1,0,0|1,0,0]=3 11678 B12R1.1356 CC(F)COCOC(=O)C1CC1 20c824fce63aa5b3f0eeb6d2c762d324 [0,1,0,1,0,0|1,0,0]=3 11679 B12R1.1356 CC(O)CCNCC(=O)C1CC1 2b322219f4a9d0468f0d6bfb32061c02 [0,1,0,1,0,0|2,0,0]=4 11680 B12R1.1356 CC(O)CNCOC(=O)C1CC1 d207835b34d31b58b232c45882ae8382 [0,1,0,1,0,0|1,0,0]=3 11681 B12R1.1356 CC(S)COCOC(=O)C1CC1 95c2586639553e6e0a4a20eece2cec68 [0,1,0,1,0,0|1,0,0]=3 11682 B12R1.1356 C[C@@H](F)COCOC(=O)C1CC1 b32fe5c266f6069178c55f3e250e37ce [0,1,0,1,0,0|1,0,0]=3 11683 B12R1.1356 C[C@@H](O)CCNCC(=O)C1CC1 443672fc934dbdbd9431a8bb6646dda1 [0,1,0,1,0,0|2,0,0]=4 11684 B12R1.1356 C[C@@H](O)CNCOC(=O)C1CC1 0b92c5ac15927d1c0a5415e06ed60ddf [0,1,0,1,0,0|1,0,0]=3 11685 B12R1.1356 C[C@H](F)COCOC(=O)C1CC1 c78d893930866e7d5e0d024370a0cde9 [0,1,0,1,0,0|1,0,0]=3 11686 B12R1.1356 C[C@H](O)CCNCC(=O)C1CC1 f381e6fe23ba31e6e5ef371f7371c5f5 [0,1,0,1,0,0|2,0,0]=4 11687 B12R1.1356 C[C@H](O)CNCOC(=O)C1CC1 7bda22b9c0d1dc45af1b7dc822726d21 [0,1,0,1,0,0|1,0,0]=3 11688 B12R1.1356 O=C(OCNCC(F)F)C1CC1 661f79a7b64a704f942577df26230784 [0,1,0,1,0,0|2,0,0]=4 11689 B12R1.1356 O=C(OCOCC(F)F)C1CC1 2dbbb8af007280f828c05d36c4a6d7a4 [0,1,0,1,0,0|2,0,0]=4 11690 B12R1.1571 CCCC(=O)NC1COC1(C)C 214e57001b30c0f7f75b885c177b4df0 [0,1,0,1,0,0|2,0,0]=4 11691 B12R1.1571 CCCC(=S)OC1CCC1(F)F 12cb791eb968de365fb2213f2ce9eed3 [0,1,0,1,0,0|1,1,0]=4 11692 B12R1.1572 CC1(C[C@@H]1CNC(=O)CCF)C c6d11779149906109596d1dc22ca00b8 [0,1,0,1,0,0|2,0,0]=4 11693 B12R1.1572 CC1(C[C@@H]1CNC(=O)CCO)C 0f6ae5e44f99a34a9a5e193ecd477530 [0,1,0,1,0,0|2,0,0]=4 11694 B12R1.1572 CC1(C[C@@H]1CNC(=O)CCS)C 4bf6a3c94ca74ef648cba2f7f6ce1ff7 [0,1,0,1,0,0|2,0,0]=4 11695 B12R1.1572 CC1(C[C@H]1CNC(=O)CCF)C f99db44668fc72075616299a2479ae73 [0,1,0,1,0,0|2,0,0]=4 11696 B12R1.1572 CC1(C[C@H]1CNC(=O)CCO)C 7e8f63120f2916dec440bbed65663d37 [0,1,0,1,0,0|2,0,0]=4 11697 B12R1.1572 CC1(C[C@H]1CNC(=O)CCS)C 8788c9c9ce1a281f133d8f890e3e5176 [0,1,0,1,0,0|2,0,0]=4 11698 B12R1.1572 CCCC(=O)CNC1CC1(C)C b4175c03606aba4e31e0c6c1c5f5eb4a [0,1,0,1,0,0|2,0,0]=4 11699 B12R1.1572 CCCC(=O)CN[C@@H]1CC1(C)C 4a5813e13ca8c2dfc71d02ad210499f2 [0,1,0,1,0,0|2,0,0]=4 11700 B12R1.1572 CCCC(=O)CN[C@H]1CC1(C)C 742aecead0102d8f0ab5ab31dd6ed735 [0,1,0,1,0,0|2,0,0]=4 11701 B12R1.1572 CCCC(=O)NC[C@@H]1CC1(C)C 7fe70289c63c8520c49d9d1336f79bdd [0,1,0,1,0,0|1,0,0]=3 11702 B12R1.1572 CCCC(=O)NC[C@H]1CC1(C)C 55aeb8efbd4db4e89a525464b51b66a0 [0,1,0,1,0,0|1,0,0]=3 11703 B12R1.1572 CCCC(=O)OCN1CC1(C)C d86c7179094bac94ab92672711cc4117 [0,1,0,1,0,0|1,0,0]=3 11704 B12R1.1572 CCCC(=S)OCC1CC1(F)F 7b5ef931b3487c6ec170ff86e34236ba [0,1,0,1,0,0|1,1,0]=4 11705 B12R1.1572 CCCC(=S)OC[C@H]1CC1(F)F db3674cf4b0cb73c53005ce5b636d814 [0,1,0,1,0,0|1,1,0]=4 11706 B12R1.1572 CCCC(C)OCC1CC1(C)C 9c408a808807f897e09bd8f190587bb3 [0,1,0,1,0,0|1,0,1]=4 11707 B12R1.1572 CCCC(C)OC[C@@H]1CC1(C)C c1f8ec3243698e92ef8958d14aac48a9 [0,1,0,1,0,0|1,0,1]=4 11708 B12R1.1572 CCCC(C)OC[C@H]1CC1(C)C af53a7256426080227e91b416ce5c5fc [0,1,0,1,0,0|1,0,1]=4 11709 B12R1.1572 CCOC(=O)OCN1CC1(C)C 02b53ec37c5a6764ea8adb4dcc1d3f9b [0,1,0,1,0,0|2,0,0]=4 11710 B12R1.1572 CCSC(=O)OCN1CC1(C)C 373f448e720264010a22a4b79fd6363b [0,1,0,1,0,0|2,0,0]=4 11711 B12R1.1572 COCC(=O)NC[C@@H]1CC1(C)C 8075f4847b291015ba82e68e404e6e57 [0,1,0,1,0,0|2,0,0]=4 11712 B12R1.1572 COCC(=O)NC[C@H]1CC1(C)C 6f6168d9126822a0a151aa81c803dbac [0,1,0,1,0,0|2,0,0]=4 11713 B12R1.1572 CSCC(=O)NC[C@@H]1CC1(C)C ec9bb2872210750ee8b56bb6ea6965c9 [0,1,0,1,0,0|2,0,0]=4 11714 B12R1.1572 CSCC(=O)NC[C@H]1CC1(C)C 750a59e2d823f02693825456383ae8e3 [0,1,0,1,0,0|2,0,0]=4 11715 B12R2.20 CC1CC1COC2CCCC2 f3ff212e59543dcc54074e11f9d7e0bf [0,0,0,2,0,0|1,0,1]=4 11716 B12R2.20 C[C@@H]1C[C@H]1COC2CCCC2 e001cae9aa4e40a32fbbe5e33657d396 [0,0,0,2,0,0|1,0,1]=4 11717 B12R2.20 C[C@H]1C[C@@H]1COC2CCCC2 af5cc183a0963d0c55fd2d2b10f627d7 [0,0,0,2,0,0|1,0,1]=4 11718 B12R2.20 C[C@H]1C[C@H]1COC2CCCC2 7346c8f3bb5985e5ee6f297c341c4a85 [0,0,0,2,0,0|1,0,1]=4 11719 B12R2.98 C1CCC(C1)OC2CCCC2 b4879132dc2d62d981ce8a7b99bc6129 [0,0,0,2,0,0|1,0,1]=4 11720 B12R2.98 C1CCC(C1)OC2CCCO2 06bc1f3e4df62a7759e58e6bf7aa7486 [0,0,0,2,0,0|0,0,2]=4 11721 B12R2.2056 C1CC(C1)COC2CCCC2 b27971d1aee2eb52d380885cf5b809d4 [0,0,0,2,0,0|1,0,1]=4 11722 B12R2.2056 C1CC(C1)COC2CCCO2 efb5244be76df18f4b42ae7aff944aaf [0,0,0,2,0,0|0,0,2]=4 11723 B12R2.2383 C1CCC(C1)OCCC2CC2 ec61edd35bc53a38659fa4e0d7b2e4f4 [0,0,0,2,0,0|1,0,1]=4 11724 B12R2.2383 C1COC(C1)OCCC2CC2 82c69f73d05c7634fdf24da398d481c8 [0,0,0,2,0,0|0,0,2]=4 11725 B12R2.1479 CCCC(=O)N1C2C1CCC2 02ca0e0dea1363aa301b1fde1beb9e9a [0,0,0,2,0,0|1,0,0]=3 11726 B12R2.1479 COCC(=O)N1C2C1CCC2 94905942bcbf80f2b98d3a104398ef68 [0,0,0,2,0,0|2,0,0]=4 11727 B12R2.1479 CSCC(=O)N1C2C1CCC2 9ce60d91b988c4c4f079c70e05467b64 [0,0,0,2,0,0|2,0,0]=4 11728 B12R2.1479 O=C(CCF)N1C2C1CCC2 ff5fc7faba377769503169d3c67baff5 [0,0,0,2,0,0|2,0,0]=4 11729 B12R2.1479 O=C(CCO)N1C2C1CCC2 0190a275731b3bd80912e9a2f1112d75 [0,0,0,2,0,0|2,0,0]=4 11730 B12R2.1479 O=C(CCS)N1C2C1CCC2 8a69dc76ee35a13ee9a0c351b7858776 [0,0,0,2,0,0|2,0,0]=4 11731 B12R2.1485 CCCC(=O)N1CCC2C1C2 73cda9ec66ab6c8606494ecd8b72fb71 [0,0,0,2,0,0|1,0,0]=3 11732 B12R2.1485 COCC(=O)N1CCC2C1C2 c39bbf31723fe7615a6950b1f9fe582a [0,0,0,2,0,0|2,0,0]=4 11733 B12R2.1485 CSCC(=O)N1CCC2C1C2 75445086ae06917f91067df08221e3da [0,0,0,2,0,0|2,0,0]=4 11734 B12R2.1485 O=C(CCF)N1CCC2C1C2 8f4d2007b800c18ddca3ee7114585547 [0,0,0,2,0,0|2,0,0]=4 11735 B12R2.1485 O=C(CCO)N1CCC2C1C2 f87e1e6cc103ad1e387b63fa1a0a7260 [0,0,0,2,0,0|2,0,0]=4 11736 B12R2.1485 O=C(CCS)N1CCC2C1C2 ab3c4725a932b5d66436ff01fce22717 [0,0,0,2,0,0|2,0,0]=4 11737 B12R2.1488 CCCC(=O)N1CC2CC2C1 797669f3a0f6e3ec6174f20aeaf47191 [0,0,0,2,0,0|1,0,0]=3 11738 B12R2.1488 COCC(=O)N1CC2CC2C1 1a158de524b834e503c9079525a1882e [0,0,0,2,0,0|2,0,0]=4 11739 B12R2.1488 CSCC(=O)N1CC2CC2C1 0c2e140ce2c1af34662878647d3bc2e6 [0,0,0,2,0,0|2,0,0]=4 11740 B12R2.1488 O=C(CCF)N1CC2CC2C1 b0e5ffccad3e8caac12877add65356b6 [0,0,0,2,0,0|2,0,0]=4 11741 B12R2.1488 O=C(CCO)N1CC2CC2C1 f1a4403a15fc2f5373be997f6a37dd8c [0,0,0,2,0,0|2,0,0]=4 11742 B12R2.1488 O=C(CCS)N1CC2CC2C1 b66addaf6e061f211f12465041f13b71 [0,0,0,2,0,0|2,0,0]=4 11743 B12R2.1286 O=C1CCCN(C1)CC2CC2 b8f36898b01bbb0309f3949188953915 [0,0,0,2,0,0|2,0,0]=4 11744 B12R2.1824 CCN1CC2CC(=O)CC1C2 361354e6af196afa0a1b2e4140da35e6 [0,0,0,2,0,0|2,0,0]=4 11745 B12R2.2313 O=C1CCCC(C1)N2CCC2 56f4acb36104e67f41a1421385a71d6c [0,0,0,2,0,0|2,0,0]=4 11746 B12R2.136 CC1CC(C1)OC2CCCC2 8aea66d4d39b7f2598aab1d744a58183 [0,0,0,2,0,0|1,0,1]=4 11747 B12R2.1423 CC(OC1CCCC1)C2CC2 d83e8bef23e68059bca9b0ee39391e7b [0,0,0,2,0,0|1,0,1]=4 11748 B12R2.1423 C[C@@H](OC1CCCC1)C2CC2 6166ee07e3ca479558cc109e05d676a3 [0,0,0,2,0,0|1,0,1]=4 11749 B12R2.1423 C[C@H](OC1CCCC1)C2CC2 0872141ff4c5a49e13637f706d0b4574 [0,0,0,2,0,0|1,0,1]=4 11750 B12R2.667 CC1CC(C1)OCCC2CC2 5f2e037a37d634b4452e3000a5cd2b35 [0,0,0,2,0,0|1,0,1]=4 11751 B12R2.1269 CC1CC(C1)OCC2CCC2 ed369bb0bd06d58e23b3f7cda1f72da2 [0,0,0,2,0,0|1,0,1]=4 11752 B12R2.906 CCNC1CNC(=O)C12CC2 3a50b2a57f83dec46da90de77867fc10 [0,0,0,2,0,0|2,0,0]=4 11753 B12R2.906 CCN[C@H]1CNC(=O)C12CC2 d1a2fb77710233078c64243b296d28f1 [0,0,0,2,0,0|2,0,0]=4 11754 B12R2.4800 CCN1C2CCC1C(=O)NC2 84f7a797cce57c7ad31c15e9c28ebe10 [0,0,0,2,0,0|2,0,0]=4 11755 B12R2.4800 CCN1C2CC[C@H]1C(=O)NC2 ba81a7a83ce0c9f720873e3b46d40faa [0,0,0,2,0,0|2,0,0]=4 11756 B12R2.4800 CCN1[C@H]2CC[C@@H]1C(=O)NC2 a5661c8dbbfd5d4398ce77d9f370edac [0,0,0,2,0,0|2,0,0]=4 11757 B12R2.211 CC1CC1NC2CCCC2=O b1718f56400c899a6bb903b7f48650eb [0,0,0,2,0,0|2,0,0]=4 11758 B12R2.466 O=C1CCCC1COC2CC2 26b53b3921d2fc61ed7231502e4e2b78 [0,0,0,2,0,0|2,0,0]=4 11759 B12R2.466 O=C1CCCC1NCC2CC2 af06d642c64f5a67e00da07a33cffe39 [0,0,0,2,0,0|2,0,0]=4 11760 B12R2.466 O=C1CCCC1OCC2CC2 4da69ee00cb161d0484b37b7dcf74339 [0,0,0,2,0,0|2,0,0]=4 11761 B12R2.466 O=C1CCCN1CNC2CC2 59f3e2a008634ba22d7db359596cc9fd [0,0,0,2,0,0|2,0,0]=4 11762 B12R2.466 O=C1CCCN1COC2CC2 8c5cdad291e074fab5adffd65abfb146 [0,0,0,2,0,0|2,0,0]=4 11763 B12R2.1114 O=C1CCCN1CN2CCC2 9c8a26c99481328aab36d78ba3069a2f [0,0,0,2,0,0|2,0,0]=4 11764 B12R2.1472 CCCC(=O)N1CC2CC1C2 c4601d8248479f7dc787877850db8ff6 [0,0,0,2,0,0|1,0,0]=3 11765 B12R2.1472 COCC(=O)N1CC2CC1C2 4aed7f12a5759b0c108a3b1aa179c7fe [0,0,0,2,0,0|2,0,0]=4 11766 B12R2.1472 CSCC(=O)N1CC2CC1C2 765a0391365633b4586cd9e911262506 [0,0,0,2,0,0|2,0,0]=4 11767 B12R2.1472 O=C(CCF)N1CC2CC1C2 3eb40801a63960b7ebf11a624309f081 [0,0,0,2,0,0|2,0,0]=4 11768 B12R2.1472 O=C(CCO)N1CC2CC1C2 9755c6f69dc47e704501f13dda0afcaa [0,0,0,2,0,0|2,0,0]=4 11769 B12R2.1472 O=C(CCS)N1CC2CC1C2 b9376dab09a221ab707e09afcca51415 [0,0,0,2,0,0|2,0,0]=4 11770 B12R2.1926 CCN1CCNC(=O)C12CC2 d66cd48654cf3df189b7b4da1721808f [0,0,0,2,0,0|2,0,0]=4 11771 B12R2.1926 CCN1CCOC(=O)C12CC2 eed771cd827175475c06899c26f9835b [0,0,0,2,0,0|1,0,0]=3 11772 B12R2.1926 O=C1OCCN(C12CC2)CF 00e04d1f564f30919dcdedd0b01bc1e3 [0,0,0,2,0,0|2,0,0]=4 11773 B12R2.1926 O=C1OCCN(C12CC2)CO 2851a8e306d63748dd4d6374a0694294 [0,0,0,2,0,0|2,0,0]=4 11774 B12R2.419 CC(OC[C@@H]1C[C@@H]1C)C2CC2 c57a2f7fb5e2703e0f53f3d8ac770d60 [0,0,0,2,0,0|1,0,1]=4 11775 B12R2.419 CC(OC[C@@H]1C[C@H]1C)C2CC2 ad4d444c05f283cbd0cbd333502c01c5 [0,0,0,2,0,0|1,0,1]=4 11776 B12R2.419 CC(OC[C@H]1C[C@@H]1C)C2CC2 1b31a0b8fe610ae2024352fe62ce6d56 [0,0,0,2,0,0|1,0,1]=4 11777 B12R2.419 CC1CC1COC(C)C2CC2 2d1865363bb0dc3912dfe6ee372c84f0 [0,0,0,2,0,0|1,0,1]=4 11778 B12R2.419 CC1CC1NCC(=O)C2CC2 177de8185583c1b1cdf7a3c0c71833be [0,0,0,2,0,0|2,0,0]=4 11779 B12R2.4795 CC(OCC1CCC1)C2CC2 7e3cd7619eb63509da9b2edc0c2ee08b [0,0,0,2,0,0|1,0,1]=4 11780 B12R2.4795 C[C@@H](OCC1CCC1)C2CC2 fef0f7d9174008099e5ac974a2a5c120 [0,0,0,2,0,0|1,0,1]=4 11781 B12R2.4795 C[C@H](OCC1CCC1)C2CC2 a97fb5320d2884f4be052ee9cae2d396 [0,0,0,2,0,0|1,0,1]=4 11782 B12R2.4795 O=C(CNC1CCC1)C2CC2 14b5ed9f9d893d1c9ba93c7a5b13c5fc [0,0,0,2,0,0|2,0,0]=4 11783 B12R2.4795 O=C(COC1CCC1)C2CC2 23dd459ad286d18e9fe82584fb2a9c4d [0,0,0,2,0,0|2,0,0]=4 11784 B12R2.4795 O=C(OCN1CCC1)C2CC2 9397635ebf73d50684550be0800264b0 [0,0,0,2,0,0|1,0,0]=3 11785 B12R2.4794 CC(OCCC1CC1)C2CC2 121a1977e3c3b6db47123ce72735279c [0,0,0,2,0,0|1,0,1]=4 11786 B12R2.4794 C[C@@H](OCCC1CC1)C2CC2 8890041a8f4511a41385c08bdf8b53ae [0,0,0,2,0,0|1,0,1]=4 11787 B12R2.4794 C[C@H](OCCC1CC1)C2CC2 ca1e99d0cd1bfff4b324af59f9b0230e [0,0,0,2,0,0|1,0,1]=4 11788 B12R2.4794 O=C(CNCC1CC1)C2CC2 b4097551357b3ca4affdf15a4acc97c5 [0,0,0,2,0,0|2,0,0]=4 11789 B12R2.4794 O=C(COCC1CC1)C2CC2 998865c74dfa563be143292d6a1387a8 [0,0,0,2,0,0|2,0,0]=4 11790 B12R2.4794 O=C(OCNC1CC1)C2CC2 3e017f124d097cc0174450a059e34fe4 [0,0,0,2,0,0|1,0,0]=3 11791 B12R2.4794 O=C(OCOC1CC1)C2CC2 ff28d81c0ef6d385341b1bb75e264ccd [0,0,0,2,0,0|1,0,0]=3