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B12R0.142 CCCCNC(=O)CNC(=O)OC AIFCHEM-5696124669 [0,2,0,0,0,0|1,0,1]=4 152 B12R0.142 CNC(=O)CCN(C)CCCSC AIFCHEM-94546183442 [0,2,0,0,0,0|2,0,0]=4 153 B12R0.142 COC(=O)CCN(C)CCCSC AIFCHEM-94546180325 [0,2,0,0,0,0|1,0,0]=3 154 B12R0.183 CCC(F)CNCCCC(=O)OC AIFCHEM-94592435514 [0,2,0,0,0,0|0,0,0]=2 155 B12R0.183 COC(=O)CCCCNC(C)CO AIFCHEM-6470285406 [0,2,0,0,0,0|1,0,0]=3 156 B12R0.183 COC(=O)CCCCN[C@@H](C)CO AIFCHEM-6433046546 [0,2,0,0,0,0|1,0,0]=3 157 B12R0.183 COC(=O)CCCCN[C@H](C)CO AIFCHEM-6477051042 [0,2,0,0,0,0|1,0,0]=3 158 B12R0.183 COC(=O)CCCNC[C@@H](F)CO AIFCHEM-94592441012 [0,2,0,0,0,0|1,0,0]=3 159 B12R0.183 COC(=O)CCCNC[C@H](F)CO AIFCHEM-94592441013 [0,2,0,0,0,0|1,0,0]=3 160 B12R0.184 CCC(=O)NCCCCCN(C)C AIFCHEM-94526506259 [0,2,0,0,0,0|2,0,0]=4 161 B12R0.184 COC(=O)CCCCNCC(C)C AIFCHEM-94563723483 [0,2,0,0,0,0|0,0,0]=2 162 B12R0.184 COC(=O)CCCNCCC(=O)N AIFCHEM-94592444449 [0,2,0,0,0,0|1,0,1]=4 163 B12R0.248 CCCCCNCCNC(=O)CC AIFCHEM-94532522439 [0,2,0,0,0,0|1,0,0]=3 164 B12R0.248 CCCCOCCCNC(=O)CC AIFCHEM-94526503265 [0,2,0,0,0,0|1,0,0]=3 165 B12R0.186 COC(=O)CCCNC(=O)C(C)O AIFCHEM-94571300703 [0,2,0,0,0,0|1,0,1]=4 166 B12R0.186 COC(=O)CCCNC(=O)[C@@H](C)O AIFCHEM-6091587477 [0,2,0,0,0,0|1,0,1]=4 167 B12R0.186 COC(=O)CCCNC(=O)[C@H](C)O AIFCHEM-6131995383 [0,2,0,0,0,0|1,0,1]=4 168 B12R0.237 CCCCCCNC(=O)C(C)(C)C AIFCHEM-94575446199 [0,2,0,0,0,0|2,0,0]=4 169 B12R0.147 CCC(C)CC(=O)NCC(=O)OC AIFCHEM-6194477493 [0,2,0,0,0,0|1,0,1]=4 170 B12R0.147 CCC(F)CNC(=O)CC(=O)OC AIFCHEM-94549706835 [0,2,0,0,0,0|1,0,1]=4 171 B12R0.147 CC[C@H](C)CC(=O)NCC(=O)OC AIFCHEM-6217877378 [0,2,0,0,0,0|1,0,1]=4 172 B12R0.147 COC(=O)CC(C)NCC(C)CO AIFCHEM-94540290447 [0,2,0,0,0,0|2,0,0]=4 173 B12R0.147 COC(=O)CN(C)CCC(C)SC AIFCHEM-6043255995 [0,2,0,0,0,0|2,0,0]=4 174 B12R0.189 CNC(=O)CNC(C)CCC(C)C AIFCHEM-94561172431 [0,2,0,0,0,0|2,0,0]=4 175 B12R0.189 COC(=O)CCC(C)NCC(C)O AIFCHEM-94558285042 [0,2,0,0,0,0|1,0,0]=3 176 B12R0.189 COC(=O)CCC(C)NC[C@@H](C)O AIFCHEM-6490896596 [0,2,0,0,0,0|1,0,0]=3 177 B12R0.189 COC(=O)CCC(C)NC[C@H](C)O AIFCHEM-6493284226 [0,2,0,0,0,0|1,0,0]=3 178 B12R0.193 CCCC(O)C(=O)NCC(=O)OC AIFCHEM-6214475819 [0,2,0,0,0,0|1,0,1]=4 179 B12R0.193 CCC[C@H](O)C(=O)NCC(=O)OC AIFCHEM-6218764002 [0,2,0,0,0,0|1,0,1]=4 180 B12R0.216 CCC(CCC(=O)OC)NCCO AIFCHEM-94577778140 [0,2,0,0,0,0|2,0,0]=4 181 B12R0.216 CCCCC(CC)CNC(=O)CC AIFCHEM-94526505659 [0,2,0,0,0,0|2,0,0]=4 182 B12R0.130 COC(=O)CCCNC(CO)CO AIFCHEM-94606736690 [0,2,0,0,0,0|2,0,0]=4 183 B12R0.156 CCC(C)CNCC(O)C(=O)OC AIFCHEM-6512500985 [0,2,0,0,0,0|1,0,0]=3 184 B12R0.156 CCC(C)CNC[C@H](O)C(=O)OC AIFCHEM-6498850994 [0,2,0,0,0,0|1,0,0]=3 185 B12R0.156 CCC(C)N(C)CCCC(=O)OC AIFCHEM-94592445813 [0,2,0,0,0,0|1,0,0]=3 186 B12R0.156 CCC(O)C(=O)NCCC(=O)OC AIFCHEM-6174292964 [0,2,0,0,0,0|1,0,1]=4 187 B12R0.156 CC[C@@H](O)C(=O)NCCC(=O)OC AIFCHEM-6131568189 [0,2,0,0,0,0|1,0,1]=4 188 B12R0.156 COC(=O)C(C)CNCC(O)CO AIFCHEM-5852209660 [0,2,0,0,0,0|2,0,0]=4 189 B12R0.150 COC(=O)CCCCNC(C)(C)C AIFCHEM-94589407277 [0,2,0,0,0,0|1,0,0]=3 190 B12R0.240 CNC(=O)CC(C)NCCC(C)C AIFCHEM-94602602568 [0,2,0,0,0,0|2,0,0]=4 191 B12R0.240 COC(=O)CC(=O)NCCC(C)C AIFCHEM-94549713040 [0,2,0,0,0,0|1,0,1]=4 192 B12R0.240 COC(=O)CC(C)NCCC(C)O AIFCHEM-94577732083 [0,2,0,0,0,0|1,0,0]=3 193 B12R0.240 COC(=O)CC(C)NCCN(C)C AIFCHEM-94564759642 [0,2,0,0,0,0|2,0,0]=4 194 B12R0.240 COC(=O)CC(C)NCC[C@H](C)O AIFCHEM-94544710349 [0,2,0,0,0,0|1,0,0]=3 195 B12R0.240 COC(=O)C[C@@H](C)NCCN(C)C AIFCHEM-94564756342 [0,2,0,0,0,0|2,0,0]=4 196 B12R0.240 COC(=O)C[C@H](C)NCCN(C)C AIFCHEM-94564759841 [0,2,0,0,0,0|2,0,0]=4 197 B12R0.241 COC(=O)CCCN(C)CC(C)O AIFCHEM-94592437056 [0,2,0,0,0,0|1,0,0]=3 198 B12R0.110 CCCCNC(=O)C(C)C(=O)OC AIFCHEM-5696658493 [0,2,0,0,0,0|1,0,1]=4 199 B12R0.200 CCCCCCN(CC)C(=O)CC AIFCHEM-95157762287 [0,2,0,0,0,0|2,0,0]=4 200 B12R0.200 CCCCCNC(CO)C(=O)OC AIFCHEM-94551434426 [0,2,0,0,0,0|1,0,0]=3 201 B12R0.200 CCCCCN[C@@H](CO)C(=O)OC AIFCHEM-94551434506 [0,2,0,0,0,0|1,0,0]=3 202 B12R0.200 CCCCCN[C@H](CO)C(=O)OC AIFCHEM-94551434765 [0,2,0,0,0,0|1,0,0]=3 203 B12R0.200 COC(=O)C(CO)NCCCSC AIFCHEM-94546184127 [0,2,0,0,0,0|2,0,0]=4 204 B12R0.200 COC(=O)[C@@H](CO)NCCCSC AIFCHEM-94546184466 [0,2,0,0,0,0|2,0,0]=4 205 B12R0.200 COC(=O)[C@H](CO)NCCCSC AIFCHEM-94546184207 [0,2,0,0,0,0|2,0,0]=4 206 B12R0.600 COC(=O)C(C)(C)NCCCSC AIFCHEM-94527039918 [0,2,0,0,0,0|2,0,0]=4 207 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [1,0,0,1,0,0|2,0,0]=4 208 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [1,0,0,1,0,0|2,0,0]=4 209 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [1,0,0,1,0,0|2,0,0]=4 210 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [1,0,0,1,0,0|2,0,0]=4 211 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [1,0,0,1,0,0|1,0,0]=3 212 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [1,0,0,1,0,0|1,0,0]=3 213 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [1,0,0,1,0,0|1,0,0]=3 214 B10R1.127 O=C(O)CCNC1CCC1 AIFCHEM-94576044203 [1,0,0,1,0,0|1,0,0]=3 215 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [1,0,0,1,0,0|2,0,0]=4 216 B10R1.5 CCN1CCC[C@@H]1COC AIFCHEM-94537413471 [1,0,0,1,0,0|1,0,1]=4 217 B10R1.5 CCN1CCC[C@H]1COC AIFCHEM-94537423808 [1,0,0,1,0,0|1,0,1]=4 218 B10R1.21 CCCNCC1CCOC1 AIFCHEM-94521371393 [1,0,0,1,0,0|1,0,1]=4 219 B10R1.21 CCCNC[C@@H]1CCOC1 AIFCHEM-94569012262 [1,0,0,1,0,0|1,0,1]=4 220 B10R1.21 CCCNC[C@H]1CCOC1 AIFCHEM-94569008849 [1,0,0,1,0,0|1,0,1]=4 221 B10R1.27 CCC(=O)NC1CCCC1 AIFCHEM-94542387709 [1,0,0,1,0,0|2,0,0]=4 222 B12R1.32 COCC(=O)NC1CCCOC1 AIFCHEM-5874422585 [0,1,0,1,0,0|2,0,0]=4 223 B12R1.32 COCC(=O)NC1CCSCC1 AIFCHEM-94574193018 [0,1,0,1,0,0|2,0,0]=4 224 B12R1.32 COCC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588278087 [0,1,0,1,0,0|2,0,0]=4 225 B12R1.51 O=C(CCO)NCC1CCCC1 AIFCHEM-6158955683 [0,1,0,1,0,0|2,0,0]=4 226 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890090581 [0,1,0,1,0,0|2,0,0]=4 227 B12R1.308 CC#CC(=O)N1CCCC[C@H]1C AIFCHEM-5721843155 [0,1,0,1,0,0|2,0,0]=4 228 B12R1.308 COCC(=O)N1CCCC[C@@H]1C AIFCHEM-5970672272 [0,1,0,1,0,0|1,0,0]=3 229 B12R1.308 COCC(=O)N1CCCC[C@H]1C AIFCHEM-5743637479 [0,1,0,1,0,0|1,0,0]=3 230 B12R1.308 C[C@H]1CCCCN1C(=O)CCO AIFCHEM-94588094631 [0,1,0,1,0,0|2,0,0]=4 231 B12R1.315 CCNC(=O)CNCC1CCC1 AIFCHEM-5868858602 [0,1,0,1,0,0|2,0,0]=4 232 B12R1.316 CCC1CCCN1C(=O)CCO AIFCHEM-5834860281 [0,1,0,1,0,0|2,0,0]=4 233 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC AIFCHEM-94537423154 [0,1,0,1,0,0|2,0,0]=4 234 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC AIFCHEM-94537420341 [0,1,0,1,0,0|1,0,0]=3 235 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC AIFCHEM-94537426089 [0,1,0,1,0,0|2,0,0]=4 236 B12R1.316 CCOC(=O)[C@H]1CCCN1CC AIFCHEM-94537414421 [0,1,0,1,0,0|1,0,0]=3 237 B12R1.923 CCCCCCNC(=O)C1CC1 AIFCHEM-6103805373 [0,1,0,1,0,0|2,0,0]=4 238 B12R1.7 CCCCNCC1CNC(=O)C1 AIFCHEM-94523031470 [0,1,0,1,0,0|1,0,0]=3 239 B12R1.7 CSCCCNC1COC(=O)C1 AIFCHEM-94529054507 [0,1,0,1,0,0|1,0,0]=3 240 B12R1.7 CSCCCN[C@@H]1COC(=O)C1 AIFCHEM-94546173991 [0,1,0,1,0,0|1,0,0]=3 241 B12R1.7 CSCCCN[C@H]1COC(=O)C1 AIFCHEM-94546173992 [0,1,0,1,0,0|1,0,0]=3 242 B12R1.27 CCC(=O)NCC1CCCCO1 AIFCHEM-94560329363 [0,1,0,1,0,0|2,0,0]=4 243 B12R1.27 CNC(=O)CNC1CCCOC1 AIFCHEM-94562542416 [0,1,0,1,0,0|2,0,0]=4 244 B12R1.27 CNC(=O)CNC1CCCSC1 AIFCHEM-94562541923 [0,1,0,1,0,0|2,0,0]=4 245 B12R1.27 COC(=O)CNC1CCCCC1 AIFCHEM-94601795234 [0,1,0,1,0,0|0,0,0]=2 246 B12R1.82 CCN1CCC[C@H]1CC(=O)OC AIFCHEM-94537419343 [0,1,0,1,0,0|0,0,0]=2 247 B12R1.291 CCN[C@H]1CCC[C@H]1C(=O)OC AIFCHEM-94537413106 [0,1,0,1,0,0|0,0,0]=2 248 B12R1.353 CNC(=O)CNC1CCSC1C AIFCHEM-94562540972 [0,1,0,1,0,0|2,0,0]=4 249 B12R1.356 COC(=O)CCCNC1CCC1 AIFCHEM-94576046570 [0,1,0,1,0,0|0,0,0]=2 250 B12R1.356 COC(=O)CCCNC1CSC1 AIFCHEM-94592434753 [0,1,0,1,0,0|1,0,0]=3 251 B12R1.360 CCC(=O)NCCNCC1CC1 AIFCHEM-94532523621 [0,1,0,1,0,0|2,0,0]=4 252 B12R1.360 COC(=O)CCCNCC1CC1 AIFCHEM-6091155790 [0,1,0,1,0,0|0,0,0]=2 253 B12R1.371 C#CC(=O)NC1CCCCC1C AIFCHEM-94525201363 [0,1,0,1,0,0|1,0,1]=4 254 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94525202083 [0,1,0,1,0,0|1,0,1]=4 255 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-94525198590 [0,1,0,1,0,0|1,0,1]=4 256 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-94525202082 [0,1,0,1,0,0|1,0,1]=4 257 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94526510207 [0,1,0,1,0,0|2,0,0]=4 258 B12R1.477 CCC(=O)NCCN1CCCC1 AIFCHEM-94526509910 [0,1,0,1,0,0|2,0,0]=4 259 B12R1.477 COC(=O)CCNC1CCCC1 AIFCHEM-94541525880 [0,1,0,1,0,0|0,0,0]=2 260 B12R1.43 CC(O)C(=O)NC1CCCCC1 AIFCHEM-94560385013 [0,1,0,1,0,0|2,0,0]=4 261 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 AIFCHEM-5905762940 [0,1,0,1,0,0|2,0,0]=4 262 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 AIFCHEM-5907708693 [0,1,0,1,0,0|2,0,0]=4 263 B12R1.264 CC(O)C(=O)NCC1CCCC1 AIFCHEM-94540233518 [0,1,0,1,0,0|2,0,0]=4 264 B12R1.264 CN(C)C(=O)CNC1CCCC1 AIFCHEM-94541530516 [0,1,0,1,0,0|2,0,0]=4 265 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 AIFCHEM-6158277103 [0,1,0,1,0,0|2,0,0]=4 266 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 AIFCHEM-94573927956 [0,1,0,1,0,0|2,0,0]=4 267 B12R1.457 CCCCNC1CC(=O)N(C1)C AIFCHEM-94523043585 [0,1,0,1,0,0|2,0,0]=4 268 B12R1.457 CCCNCC1CC(=O)N(C1)C AIFCHEM-94569024351 [0,1,0,1,0,0|2,0,0]=4 269 B12R1.334 CCCCN1CC(C1)C(=O)NC AIFCHEM-94523042464 [0,1,0,1,0,0|2,0,0]=4 270 B12R1.908 CNC(=O)CNC(C)C1CCC1 AIFCHEM-94562542873 [0,1,0,1,0,0|2,0,0]=4 271 B12R1.908 COC(=O)CCN(C)C1CCC1 AIFCHEM-94576051357 [0,1,0,1,0,0|1,0,0]=3 272 B12R1.908 COC(=O)CNC(=O)C1CCC1 AIFCHEM-94572522405 [0,1,0,1,0,0|1,0,1]=4 273 B12R1.910 COC(=O)CCC(C)NC1CC1 AIFCHEM-94573317253 [0,1,0,1,0,0|1,0,0]=3 274 B12R1.50 CCC(=O)NC1CCCC(C1)C AIFCHEM-94526509652 [0,1,0,1,0,0|2,0,0]=4 275 B12R1.34 CCC(=O)N(C)C1CCCCC1 AIFCHEM-94526498824 [0,1,0,1,0,0|2,0,0]=4 276 B12R1.108 COC(=O)C(C)NC1CCOC1 AIFCHEM-5876871484 [0,1,0,1,0,0|2,0,0]=4 277 B12R1.108 COC(=O)[C@@H](C)NC1CCOC1 AIFCHEM-5766609457 [0,1,0,1,0,0|2,0,0]=4 278 B12R1.108 COC(=O)[C@H](C)NC1CCOC1 AIFCHEM-5729280519 [0,1,0,1,0,0|2,0,0]=4 279 B12R1.179 CCCN1CCC(C1)C(=O)NC AIFCHEM-94569011900 [0,1,0,1,0,0|2,0,0]=4 280 B12R1.470 CNC(=O)C(C)NCC1CCC1 AIFCHEM-5807141034 [0,1,0,1,0,0|2,0,0]=4 281 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 AIFCHEM-5991950526 [0,1,0,1,0,0|2,0,0]=4 282 B12R1.470 CNC(=O)[C@H](C)NCC1CCC1 AIFCHEM-5953889690 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.470 COC(=O)C(C)CNC1CCC1 AIFCHEM-94576058754 [0,1,0,1,0,0|1,0,0]=3 284 B12R1.15 CCC(=O)NC(C)C1CCCC1 AIFCHEM-94526502744 [0,1,0,1,0,0|2,0,0]=4 285 B12R1.15 CCC(=O)N[C@H](C)C1CCCC1 AIFCHEM-94526502345 [0,1,0,1,0,0|2,0,0]=4 286 B12R1.177 CCCN1CC(C1)CC(=O)OC AIFCHEM-94569011492 [0,1,0,1,0,0|1,0,0]=3 287 B12R1.303 COC(=O)CC(C)N[C@@H]1C[C@H]1C AIFCHEM-94559005505 [0,1,0,1,0,0|1,0,0]=3 288 B12R1.304 CNC(=O)CN(C)CC1CCC1 AIFCHEM-94608444035 [0,1,0,1,0,0|2,0,0]=4 289 B12R1.3441 CCC(=O)N1C(CCCC1C)C AIFCHEM-94544340654 [0,1,0,1,0,0|2,0,0]=4 290 B12R1.3441 CCC(=O)N1[C@@H](CCC[C@@H]1C)C AIFCHEM-94526506272 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.2302 O=C1CCC(CN1)N2CCC2 AIFCHEM-94604922816 [0,0,0,2,0,0|2,0,0]=4 292 B12R2.78 C[C@@H]1C[C@H]1NC2CNC(=O)C2 AIFCHEM-94559008935 [0,0,0,2,0,0|2,0,0]=4 293 B12R2.78 C[C@@H]1C[C@H]1NC2COC(=O)C2 AIFCHEM-94559009452 [0,0,0,2,0,0|1,0,0]=3 294 B12R2.2301 O=C1CC(CO1)NC2CCC2 AIFCHEM-94537766271 [0,0,0,2,0,0|1,0,0]=3 295 B12R2.2301 O=C1C[C@@H](CO1)NC2CCC2 AIFCHEM-94576045023 [0,0,0,2,0,0|1,0,0]=3 296 B12R2.2301 O=C1C[C@H](CO1)NC2CCC2 AIFCHEM-94576045024 [0,0,0,2,0,0|1,0,0]=3