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[0,1,0,1,0,0|2,0,0]=4 267 B13R1.568 CCCNC1CCCC(C1)C(=O)O AIFCHEM-94521367431 [0,1,0,1,0,0|1,0,0]=3 268 B13R1.568 CCCN[C@@H]1CCC[C@@H](C1)C(=O)O AIFCHEM-94595206714 [0,1,0,1,0,0|1,0,0]=3 269 B13R1.568 CCCN[C@H]1CCC[C@H](C1)C(=O)O AIFCHEM-94569009984 [0,1,0,1,0,0|1,0,0]=3 270 B13R1.637 O=C(O)CCCNC1CC(C1)CO AIFCHEM-5652615846 [0,1,0,1,0,0|2,0,0]=4 271 B13R1.1044 CC(CC1CC1)NCCCC(=O)O AIFCHEM-5596297368 [0,1,0,1,0,0|1,0,0]=3 272 B13R1.2904 O=S(=O)(O)CCNCC1CCCC1 AIFCHEM-5744003526 [0,1,0,1,0,0|2,0,0]=4 273 B13R1.198 CC(=O)OCCCCN[C@@H]1C[C@H]1C AIFCHEM-94559010447 [0,1,0,1,0,0|2,0,0]=4 274 B13R1.297 CC(=O)OCCCCN1CCC1C AIFCHEM-6182905926 [0,1,0,1,0,0|2,0,0]=4 275 B13R1.297 CC(=O)OCCCCN1CC[C@@H]1C AIFCHEM-5710810556 [0,1,0,1,0,0|2,0,0]=4 276 B13R1.297 CC(=O)OCCCCN1CC[C@H]1C AIFCHEM-6261243735 [0,1,0,1,0,0|2,0,0]=4 277 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1C AIFCHEM-94559010125 [0,1,0,1,0,0|1,0,0]=3 278 B13R1.551 CC(CO)N1CCCC1CC(=O)O AIFCHEM-5634952156 [0,1,0,1,0,0|2,0,0]=4 279 B13R1.551 CC(CO)N1CCC[C@@H]1CC(=O)O AIFCHEM-6177261188 [0,1,0,1,0,0|2,0,0]=4 280 B13R1.551 CC(CO)N1CCC[C@H]1CC(=O)O AIFCHEM-5908608686 [0,1,0,1,0,0|2,0,0]=4 281 B13R1.586 CC(=O)OCCCCNC1CCC1 AIFCHEM-94537767266 [0,1,0,1,0,0|2,0,0]=4 282 B13R1.586 O=C(O)CCOCCNC1COC1 AIFCHEM-5895179995 [0,1,0,1,0,0|2,0,0]=4 283 B13R1.2880 CCC(C)CN1CCCC1C(=O)N AIFCHEM-94548060687 [0,1,0,1,0,0|2,0,0]=4 284 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)N AIFCHEM-94534031586 [0,1,0,1,0,0|2,0,0]=4 285 B13R1.149 CN1CCCC(C1)NCCC(=O)O AIFCHEM-94528659270 [0,1,0,1,0,0|2,0,0]=4 286 B13R1.149 C[C@@H]1CCCC(C1)NCCC(=O)O AIFCHEM-94588379388 [0,1,0,1,0,0|1,0,0]=3 287 B13R1.658 CCCCCN1CCC(C1)C(=O)N AIFCHEM-94551435523 [0,1,0,1,0,0|2,0,0]=4 288 B13R1.658 CCCCCN1CCC(C1)C(=O)O AIFCHEM-94551439082 [0,1,0,1,0,0|1,0,0]=3 289 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)O AIFCHEM-94551436335 [0,1,0,1,0,0|1,0,0]=3 290 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)O AIFCHEM-94551436336 [0,1,0,1,0,0|1,0,0]=3 291 B13R1.1047 CC(CCCC(=O)O)NC1CCC1 AIFCHEM-5687998363 [0,1,0,1,0,0|1,0,0]=3 292 B13R1.1048 CC(CCCC(=O)O)NCC1CC1 AIFCHEM-94592471750 [0,1,0,1,0,0|1,0,0]=3 293 B13R1.1988 CC(O)CCNC1CCCCCC1 AIFCHEM-94529612539 [0,1,0,1,0,0|1,0,1]=4 294 B13R1.1988 C[C@H](O)CCNC1CCCCCC1 AIFCHEM-94529605247 [0,1,0,1,0,0|1,0,1]=4 295 B13R1.1988 NC(=O)CCNC1CCCCCC1 AIFCHEM-94529615285 [0,1,0,1,0,0|1,0,0]=3 296 B13R1.3699 CC(CCCC(=O)O)N1CCC1C AIFCHEM-6128050730 [0,1,0,1,0,0|1,0,0]=3 297 B13R1.3699 CC(CCCC(=O)O)N1CC[C@@H]1C AIFCHEM-5760278976 [0,1,0,1,0,0|1,0,0]=3 298 B13R1.3699 CC(CCCC(=O)O)N1CC[C@H]1C AIFCHEM-6261044650 [0,1,0,1,0,0|1,0,0]=3 299 B13R1.103 CCC1CCCC1NCCC(C)O AIFCHEM-94577736029 [0,1,0,1,0,0|1,0,1]=4 300 B13R1.103 CCC1CCCC1NCC[C@H](C)O AIFCHEM-94544714295 [0,1,0,1,0,0|1,0,1]=4 301 B13R1.167 CC(=O)SCCCN1CCCC1C AIFCHEM-94560870882 [0,1,0,1,0,0|2,0,0]=4 302 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C AIFCHEM-94560862466 [0,1,0,1,0,0|2,0,0]=4 303 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C AIFCHEM-94560860394 [0,1,0,1,0,0|2,0,0]=4 304 B13R1.167 CC1OCCC1NCCCC(=O)O AIFCHEM-5635349255 [0,1,0,1,0,0|1,0,0]=3 305 B13R1.224 CCCN1CCCCCC1C(=O)O AIFCHEM-94569019470 [0,1,0,1,0,0|0,0,0]=2 306 B13R1.343 CC(=O)NCCCNC1CCCC1 AIFCHEM-94531732127 [0,1,0,1,0,0|2,0,0]=4 307 B13R1.343 O=C(O)COCCNC1CCCC1 AIFCHEM-94541531363 [0,1,0,1,0,0|1,0,0]=3 308 B13R1.343 O=C(O)COCCNC1CCSC1 AIFCHEM-94563711975 [0,1,0,1,0,0|2,0,0]=4 309 B13R1.343 O=C(O)CSCCNC1CCCC1 AIFCHEM-94535038003 [0,1,0,1,0,0|1,0,0]=3 310 B13R1.362 CCCCCCCCN1CC(C1)O AIFCHEM-6428360568 [0,1,0,1,0,0|1,0,1]=4 311 B13R1.362 CCCCCCCNC1CC(C1)O AIFCHEM-94597691025 [0,1,0,1,0,0|1,0,1]=4 312 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O AIFCHEM-94589450662 [0,1,0,1,0,0|1,0,1]=4 313 B13R1.362 CCCCCCCN[C@H]1C[C@H](C1)O AIFCHEM-94589450964 [0,1,0,1,0,0|1,0,1]=4 314 B13R1.380 CCCN1CCCCC1CC(=O)O AIFCHEM-94569014773 [0,1,0,1,0,0|0,0,0]=2 315 B13R1.392 CCCN1CCCC1CCC(=O)O AIFCHEM-94600406476 [0,1,0,1,0,0|0,0,0]=2 316 B13R1.670 CCCCCN1CCCC1C(=O)N AIFCHEM-94551431197 [0,1,0,1,0,0|1,0,0]=3 317 B13R1.670 CCCCCN1CCCC1C(=O)O AIFCHEM-94551435008 [0,1,0,1,0,0|0,0,0]=2 318 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)N AIFCHEM-94551435294 [0,1,0,1,0,0|1,0,0]=3 319 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O AIFCHEM-94551432018 [0,1,0,1,0,0|0,0,0]=2 320 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N AIFCHEM-94551433074 [0,1,0,1,0,0|1,0,0]=3 321 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O AIFCHEM-94551427202 [0,1,0,1,0,0|0,0,0]=2 322 B13R1.670 CCCCCN1CSC[C@@H]1C(=O)O AIFCHEM-94551433341 [0,1,0,1,0,0|1,0,0]=3 323 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O AIFCHEM-94551432048 [0,1,0,1,0,0|1,0,0]=3 324 B13R1.1022 CC(O)CNC1CCCCCCC1 AIFCHEM-94558284262 [0,1,0,1,0,0|1,0,1]=4 325 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 AIFCHEM-6509496072 [0,1,0,1,0,0|1,0,1]=4 326 B13R1.1022 C[C@H](O)CNC1CCCCCCC1 AIFCHEM-6493361022 [0,1,0,1,0,0|1,0,1]=4 327 B13R1.2852 CCCCNC1CCC1OC(=O)C AIFCHEM-5745237493 [0,1,0,1,0,0|2,0,0]=4 328 B13R1.3435 O=C(O)C1CCN1CCCCCO AIFCHEM-5725201098 [0,1,0,1,0,0|1,0,0]=3 329 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCO AIFCHEM-6274027400 [0,1,0,1,0,0|1,0,0]=3 330 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCO AIFCHEM-6127155932 [0,1,0,1,0,0|1,0,0]=3 331 B13R1.9 CCCCNCC1CNC(=O)CO1 AIFCHEM-94523041828 [0,1,0,1,0,0|2,0,0]=4 332 B13R1.382 CCCN1CCOCC1C(=O)OC AIFCHEM-94569010479 [0,1,0,1,0,0|2,0,0]=4 333 B13R1.382 CCCN1CCOC[C@@H]1C(=O)OC AIFCHEM-94527790681 [0,1,0,1,0,0|2,0,0]=4 334 B13R1.382 CCCN1CCOC[C@H]1C(=O)OC AIFCHEM-94569022075 [0,1,0,1,0,0|2,0,0]=4 335 B13R1.536 O=C(CO)NCCOC1CCCC1 AIFCHEM-94532687204 [0,1,0,1,0,0|2,0,0]=4 336 B13R1.539 COC(=O)CCCNCC1CCO1 AIFCHEM-94567674793 [0,1,0,1,0,0|2,0,0]=4 337 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 AIFCHEM-94592438661 [0,1,0,1,0,0|2,0,0]=4 338 B13R1.539 COC(=O)CCCNC[C@H]1CCO1 AIFCHEM-94592438657 [0,1,0,1,0,0|2,0,0]=4 339 B13R1.581 CCCN[C@H]1CCC[C@H]1C(=O)OC AIFCHEM-94569010189 [0,1,0,1,0,0|1,0,0]=3 340 B13R1.581 COC(=O)C1CCCC1NCCO AIFCHEM-6411053988 [0,1,0,1,0,0|2,0,0]=4 341 B13R1.599 COC(=O)CCCN1CCCC1C AIFCHEM-94592445726 [0,1,0,1,0,0|1,0,0]=3 342 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C AIFCHEM-94592443804 [0,1,0,1,0,0|1,0,0]=3 343 B13R1.599 COC(=O)CCCN1CCC[C@H]1C AIFCHEM-94592435238 [0,1,0,1,0,0|1,0,0]=3 344 B13R1.718 COC(=O)CCNC1CCCCC1 AIFCHEM-94601792405 [0,1,0,1,0,0|1,0,0]=3 345 B13R1.718 O=C(CO)NCCC1CCOCC1 AIFCHEM-5928343731 [0,1,0,1,0,0|2,0,0]=4 346 B13R1.718 O=C(CO)NCCN1CCCCC1 AIFCHEM-94531658911 [0,1,0,1,0,0|2,0,0]=4 347 B13R1.1689 CCC(=O)N1CCCCCCCC1 AIFCHEM-94559703063 [0,1,0,1,0,0|2,0,0]=4 348 B13R1.1711 CCC(=O)NCC1CCCCCC1 AIFCHEM-94532095214 [0,1,0,1,0,0|2,0,0]=4 349 B13R1.1711 COC(=O)CNC1CCCCCC1 AIFCHEM-94529614325 [0,1,0,1,0,0|1,0,0]=3 350 B13R1.169 CC(CNC1CCCC1C)C(=O)O AIFCHEM-94526935225 [0,1,0,1,0,0|1,0,0]=3 351 B13R1.169 CC1CCCC1NC[C@@H](C)C(=O)O AIFCHEM-94558213673 [0,1,0,1,0,0|1,0,0]=3 352 B13R1.169 CC1CCCC1NC[C@H](C)C(=O)O AIFCHEM-94548732448 [0,1,0,1,0,0|1,0,0]=3 353 B13R1.1220 CCCN1CCCOC(C1)C(=O)O AIFCHEM-94569009959 [0,1,0,1,0,0|2,0,0]=4 354 B13R1.1889 COCCCNC1CC(C1)C(=O)O AIFCHEM-94598888237 [0,1,0,1,0,0|2,0,0]=4 355 B13R1.2801 CCC1CCCC1N[C@H](C)C(=O)O AIFCHEM-5951689829 [0,1,0,1,0,0|1,0,0]=3 356 B13R1.6192 CC(NC1CCCCCC1)C(=O)N AIFCHEM-94529616919 [0,1,0,1,0,0|2,0,0]=4 357 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N AIFCHEM-94529616075 [0,1,0,1,0,0|2,0,0]=4 358 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)N AIFCHEM-94529611672 [0,1,0,1,0,0|2,0,0]=4 359 B13R1.1054 CC(CCC(=O)O)NCC1CCC1 AIFCHEM-6209082147 [0,1,0,1,0,0|1,0,0]=3 360 B13R1.1054 CC(CCC(=O)O)NCC1COC1 AIFCHEM-5925806520 [0,1,0,1,0,0|2,0,0]=4 361 B13R1.292 CN1CC(C1)NCCCCC(=O)O AIFCHEM-94585279572 [0,1,0,1,0,0|2,0,0]=4 362 B13R1.292 NC(=O)CCCCNC1CC(C1)O AIFCHEM-5976806632 [0,1,0,1,0,0|2,0,0]=4 363 B13R1.591 CC(C)CN1CCC[C@H]1CC(=O)O AIFCHEM-94597972086 [0,1,0,1,0,0|1,0,0]=3 364 B13R1.3576 CC(C)CN[C@@H]1CCC[C@H]1C(=O)O AIFCHEM-94572975470 [0,1,0,1,0,0|1,0,0]=3 365 B13R1.3576 CC(C)CN[C@H]1CCC[C@@H]1C(=O)O AIFCHEM-94572983307 [0,1,0,1,0,0|1,0,0]=3 366 B13R1.3576 CN(C)CCN1CCCC1C(=O)O AIFCHEM-94564768228 [0,1,0,1,0,0|2,0,0]=4 367 B13R1.3576 CN(C)CCN1CCC[C@@H]1C(=O)O AIFCHEM-94564765238 [0,1,0,1,0,0|2,0,0]=4 368 B13R1.3576 CN(C)CCN1CCC[C@H]1C(=O)O AIFCHEM-5754240414 [0,1,0,1,0,0|2,0,0]=4 369 B13R1.467 COCC(C)N1CCC[C@H]1C(=O)O AIFCHEM-94570461656 [0,1,0,1,0,0|2,0,0]=4 370 B13R1.1080 CC(NCCCCC(=O)N)C1CC1 AIFCHEM-5955817634 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.5602 NC(=O)C1CCCN1C2CCC2 AIFCHEM-94576044761 [0,0,0,2,0,0|2,0,0]=4 372 B13R2.5602 NC(=O)[C@@H]1CCCN1C2CCC2 AIFCHEM-94576057367 [0,0,0,2,0,0|2,0,0]=4 373 B13R2.5602 NC(=O)[C@H]1CCCN1C2CCC2 AIFCHEM-94576056027 [0,0,0,2,0,0|2,0,0]=4 374 B13R2.5602 O=C(O)[C@@H]1CSCN1C2CCC2 AIFCHEM-94576052781 [0,0,0,2,0,0|2,0,0]=4 375 B13R2.5602 O=C(O)[C@H]1CSCN1C2CCC2 AIFCHEM-94576054074 [0,0,0,2,0,0|2,0,0]=4