smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1CSCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3380484 MEQAERYQOBXBKV-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB Cc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-] 20140958 KERLXNVHZJMLHL-UHFFFAOYSA-N 369.160 4.161 5 40 FIBB CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1 5196093 DINQLUOPFRNBHV-UHFFFAOYSA-N 370.800 4.132 5 40 FIBB COc1cccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)c1 7813365 DAEJSSQPMLXVNV-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1[N+](=O)[O-] 30957278 UUHDLJODUAWMDW-UHFFFAOYSA-N 369.421 4.154 5 40 FIBB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])o1 408540971 AFTQQTIFDYKKDK-VMPITWQZSA-N 354.318 4.328 5 40 FIBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 7813362 GDXGBPYUCNCTQM-UHFFFAOYSA-N 367.317 4.324 5 40 FIBB Cc1ccc(COC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)cc1 226072728 JSELTMYUAGMOMG-DEOSSOPVSA-N 368.541 4.464 5 40 FIBB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 11770035 OCSRBEYGQQSKJV-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB O=C(c1ccccc1)n1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 28294431 WWBIMHJUHGCQQQ-UHFFFAOYSA-N 361.313 4.299 5 40 FIBB CSc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1[N+](=O)[O-] 12555725 CWYHJKARBSMVKL-UHFFFAOYSA-N 369.446 4.092 5 40 FIBB CCOc1ccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3332654 CUSPANHSSAPCEY-LLVKDONJSA-N 363.801 4.086 5 40 FIBB CCOc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 409101652 QCKZPUPORNNFDX-UHFFFAOYSA-N 370.434 4.175 5 40 FIBB O=[N+]([O-])c1ccc2oc(/C(Cl)=C/c3cc(F)c(O)c(F)c3)nc2c1 584907837 JGCMNQDVZCWJBY-OQFOIZHKSA-N 352.680 4.457 5 40 FIBB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 12262613 KFIHIPITRXNSCL-ZHACJKMWSA-N 364.357 4.315 5 40 FIBB CCCCOc1ccc(OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1[N+](=O)[O-] 4550334 BUBPWFXWOAVKGW-UHFFFAOYSA-N 374.349 4.210 5 40 FIBB O=[N+]([O-])c1ccc(NCc2ccc(-n3ccnc3)cc2)c(C(F)(F)F)c1 89787914 IUCYPMCHKIPOGQ-UHFFFAOYSA-N 362.311 4.411 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 5873189 ZQHDEESAVUWALV-UHFFFAOYSA-N 363.329 4.482 5 40 FIBB O=Cc1ccc(OCC(=O)OCc2nc3ccccc3c3ccccc23)cc1 7719058 WWWVMOXNKVVIIW-UHFFFAOYSA-N 371.392 4.323 5 40 FIBB CN(C)Cc1ccc(-c2ccccc2CNc2ncccc2[N+](=O)[O-])cc1 24208797 MCGICRLRLGJFRZ-UHFFFAOYSA-N 362.433 4.331 5 40 FIBB Cc1c(CSc2nnc(C)n2Cc2ccccc2)cccc1[N+](=O)[O-] 40127344 CITROHBVDNKOEV-UHFFFAOYSA-N 354.435 4.144 5 40 FIBB O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3c3ccsc3)n2)cc1 48355397 CTUGVHJATGNOQP-OAHLLOKOSA-N 356.407 4.043 5 40 FIBB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215250170 IMONGUTXINVHAU-AQHRCUNFSA-N 366.398 4.388 5 40 FIBB Cc1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 3240909 VBUIFUYMPZBRSD-UHFFFAOYSA-N 359.432 4.244 5 40 FIBB Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1[N+](=O)[O-] 4520019 NWKQTBHHDXABIG-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1 5618383 NMIJYRIKWOCIIL-CMDGGOBGSA-N 355.375 4.272 5 40 FIBB O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccc3)CC2)c2ccncc12 6510819 QEQCUOVYKQPRRZ-UHFFFAOYSA-N 362.433 4.220 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1c(Cl)cccc1Cl 13925583 TXCAZPODAXNXLI-ZSOIEALJSA-N 363.156 4.246 5 40 FIBB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080437 KUUPLHWDKNZFQD-NSHDSACASA-N 364.361 4.051 5 40 FIBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2cccc3ccccc23)c1 2060668 YECBZNAJUJRGDG-UHFFFAOYSA-N 363.778 4.169 5 40 FIBB O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4902744 MFFWTVUWMISXNR-UHFFFAOYSA-N 361.348 4.116 5 40 FIBB O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 5886402 HQWOIHZDOTUWON-CQSZACIVSA-N 368.780 4.112 5 40 FIBB COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cc1ccccc1 12041246 QBUTZNJWRBOOQM-UHFFFAOYSA-N 362.385 4.447 5 40 FIBB Cc1[nH]c2c(ccc3c2ccc2c(=O)c(Cl)c(C)[nH]c23)c(=O)c1Cl 5503721 PSCKQHXFENVLLT-UHFFFAOYSA-N 359.212 4.446 5 40 FIBB Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c(Br)c1 11613760 SWFLSOVDZHLWTH-UHFFFAOYSA-N 353.147 4.057 5 40 FIBB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 3441260 DEKJCDALBDFZPJ-UHFFFAOYSA-N 373.453 4.066 5 40 FIBB Cc1ccc(OCC(=O)N[C@H](C)c2cccc3ccccc23)c([N+](=O)[O-])c1 8506284 HVJQIKACFUVLTQ-OAHLLOKOSA-N 364.401 4.313 5 40 FIBB CCN(c1ccc(NC(=O)COc2cc(C)ccc2[N+](=O)[O-])cc1)C(C)C 21614051 ZQDWORDTPSVEER-UHFFFAOYSA-N 371.437 4.155 5 40 FIBB Cc1cc(C(=O)NCCSCc2ccccc2Cl)ccc1[N+](=O)[O-] 408573905 FCMIJFFMJUVQHE-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB Cc1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 1435726 YBNUKUBLSORWJX-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3s2)CC1 1326919 LUGKACVVMKIKFR-UHFFFAOYSA-N 367.430 4.224 5 40 FIBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(C2CCCCC2)cc1 3346640 HBYHTERJGYKSBN-UHFFFAOYSA-N 357.362 4.275 5 40 FIBB Cc1cc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)ccc1[N+](=O)[O-] 4859787 WSAKXIVPYWSBBH-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 7780713 AJYPRXBNAPFXNA-SECBINFHSA-N 372.274 4.159 5 40 FIBB Cc1ccccc1-c1nnc2sc(-c3ccc([N+](=O)[O-])c(C)c3)nn12 8392749 GSZDOXWHKJQXHL-UHFFFAOYSA-N 351.391 4.045 5 40 FIBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 104224514 SFESDZXJAVBGKF-UHFFFAOYSA-N 373.108 4.462 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 217895405 SWNDISNDKOZOKI-DBEXCURXSA-N 366.417 4.335 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 217895473 SWNDISNDKOZOKI-JGZYNSJSSA-N 366.417 4.335 5 40 FIBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCC(C)C 224454780 PRULLBIEZWLPDB-UHFFFAOYSA-N 372.421 4.337 5 40 FIBB CCCCCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3081988 RISVXFGZSSLWAV-UHFFFAOYSA-N 356.378 4.194 5 40 FIBB Cc1cccc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)c1 4072107 LSQDUPIZPRLRDH-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB Cc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 10254476 MNTBMKKMQXSHAR-UHFFFAOYSA-N 367.405 4.156 5 40 FIBB COc1ccccc1CNC(=O)c1oc(-c2ccc([N+](=O)[O-])cc2)cc1C 11690005 CKFQBTGTWKIRFC-UHFFFAOYSA-N 366.373 4.102 5 40 FIBB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2738572 NVUCFCZZCJSJOW-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB Cc1cc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 12516868 YLDXDXJBDYYYJT-UHFFFAOYSA-N 367.449 4.375 5 40 FIBB Cc1c(NC(=O)CCc2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] 14287459 SMCGUNLXFGIIRT-UHFFFAOYSA-N 351.362 4.130 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(F)c1 58381545 XEUOPNLOHOWWBI-MRXNPFEDSA-N 358.369 4.237 5 40 FIBB COC(=O)c1oc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1C 2119324 IDPUXFUNTSZXEE-UHFFFAOYSA-N 364.353 4.213 5 40 FIBB biogenic COc1ccc(Nc2c(OC)cccc2[N+](=O)[O-])cc1Br 19872985 DVSKLYLULYHHKL-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB CCCC[C@@H](CC)C(=O)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 89953308 GNXCFYMRUYAVPN-OAHLLOKOSA-N 372.469 4.468 5 40 FIBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 214625632 NPICMWGUTYWMTH-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 630260 NYQSZSGLYQYAOH-UHFFFAOYSA-N 360.365 4.217 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 6010574 KFVYGTTUMVLEDO-CYBMUJFWSA-N 366.373 4.163 5 40 FIBB Cc1noc(C)c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 8751159 GENNLZPAUJBQBC-UHFFFAOYSA-N 351.362 4.047 5 40 FIBB COc1ccc2cc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)nc2c1 23080132 IUYYYPHLZGTJFB-ZDUSSCGKSA-N 366.373 4.378 5 40 FIBB CCCN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 58172444 DCEBUYXICDPMFU-IBGZPJMESA-N 350.422 4.302 5 40 FIBB CCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCC1 84761136 DZBWRSRYJVJSNR-AWEZNQCLSA-N 368.437 4.178 5 40 FIBB Cc1ccccc1N(CC(=O)c1cccc([N+](=O)[O-])c1)C1=NCCCS1 4614859 LXCSUIOEWVNFAX-UHFFFAOYSA-N 369.446 4.085 5 40 FIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 9062503 WYMAYWGEKUHBGS-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1-c1ccc(Cl)s1 64026874 VFOCHYFRTCTUKM-UHFFFAOYSA-N 361.810 4.235 5 40 FIBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 104145986 BFZTUMLBYZXNHR-FHSNZYRGSA-N 362.382 4.122 5 40 FIBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 1505954 WZKWDIWAURAHII-VGOFMYFVSA-N 363.156 4.246 5 40 FIBB CCCCn1c(=O)nc2n(-c3ccc(C)cc3C)c3ccccc3cc-2c1=O 2124405 DBEZOVYSIZMNSD-UHFFFAOYSA-N 373.456 4.069 5 40 FIBB O=C(COC(=O)CCC1CCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 4924165 JLUUUBLZMZIEED-UHFFFAOYSA-N 368.817 4.090 5 40 FIBB O=[N+]([O-])c1ncccc1Oc1nc(-c2cccs2)nc2ccccc12 9379300 JCEQPUPEKBDRIQ-UHFFFAOYSA-N 350.359 4.454 5 40 FIBB Cc1cccc(CN(Cc2csc([N+](=O)[O-])c2)Cc2cccc(C)n2)n1 83595397 AVPUCOGFKGFTOW-UHFFFAOYSA-N 368.462 4.266 5 40 FIBB Cc1cccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1 100612622 TXPQCYQEFRSXQK-UHFFFAOYSA-N 358.397 4.139 5 40 FIBB CC[N+](C)(CC)CCSCCOC(=O)c1oc2ccccc2c1C 1820296 LBGOSZJBCWHGNP-UHFFFAOYSA-N 350.504 4.118 5 40 FIBB C[N+]1(CCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1 4566345 OVPQTPLHEVNNCX-UHFFFAOYSA-N 356.530 4.010 5 40 FIBB O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] 4599202 WNASJXFDNQWOEG-UHFFFAOYSA-N 373.565 4.402 5 40 FIBB COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 4670446 FZNVELYEGPQQJD-UHFFFAOYSA-N 355.177 4.471 5 40 FIBB COc1ccc(OCc2ccc(Br)cc2F)c([N+](=O)[O-])c1 5195943 QMIASCKDBLCZSB-UHFFFAOYSA-N 356.147 4.084 5 40 FIBB Cc1ccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)c([N+](=O)[O-])n1 9367708 ACFRYFLWVLDOHK-UHFFFAOYSA-N 369.768 4.248 5 40 FIBB Cc1cc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] 12810295 ZGKJNWPRUMRWPZ-OAHLLOKOSA-N 364.401 4.313 5 40 FIBB O=C(Nc1ccc(F)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13070436 NPFQPWVZYJJEML-UHFFFAOYSA-N 357.385 4.367 5 40 FIBB Cc1c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 14287473 IBPZCWHWASFTFJ-UHFFFAOYSA-N 369.352 4.269 5 40 FIBB Cc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 40870243 CNOUVQDVDHQBBY-UHFFFAOYSA-N 369.402 4.044 5 40 FIBB COc1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 4895984 IBSXLJDBKXZIBL-UHFFFAOYSA-N 369.421 4.092 5 40 FIBB CC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 32983831 XHHOJUNPBNRAMV-KXDMBUCYSA-N 372.465 4.085 5 40 FIBB CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 57503884 QFXPFBMOGFGVOX-SFHVURJKSA-N 360.385 4.087 5 40 FIBB CCCc1cc(=O)oc2cc(Oc3nc4ccccn4c3[N+](=O)[O-])ccc12 58304033 DHGLDAYGAMXGDK-UHFFFAOYSA-N 365.345 4.094 5 40 FIBB CCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 8240745 PASFRZXNEUWMON-GFCCVEGCSA-N 354.362 4.231 5 40 FIBB CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 223665215 XCSUMDFHZXCCCF-VAWYXSNFSA-N 368.433 4.101 5 40 FIBB O=C(CC12CC3CC(CC(C3)C1)C2)NCCCNc1ccc([N+](=O)[O-])cc1 4703736 RIAXJKPDZFXYSF-UHFFFAOYSA-N 371.481 4.120 5 40 FIBB Cc1ccccc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 10723521 HLSXAZMOBOMWLL-UHFFFAOYSA-N 357.409 4.207 5 40 FIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)s1 12139014 QKPJVJCAYAVJKV-UHFFFAOYSA-N 353.812 4.161 5 40 FIBB CC(=O)NCCc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 48354298 VTRVLAWNUPFRSE-UHFFFAOYSA-N 367.430 4.064 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 217893799 LGQRTSVJBKAUQO-NTCAYCPXSA-N 372.380 4.478 5 40 FIBB Cc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2n1-c1ccccc1 4031668 HPSFLTHNTSHYBW-UHFFFAOYSA-N 372.384 4.494 5 40 FIBB Cc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 5559384 CSTHWXZVYCPKNT-NSHDSACASA-N 363.211 4.157 5 40 FIBB Cc1ccccc1-c1nnc(SCCOc2ccccc2[N+](=O)[O-])o1 48355097 NGIZIVNXYOCVCY-UHFFFAOYSA-N 357.391 4.124 5 40 FIBB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)n1 61132759 UFHXMKPJHJJXNK-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC 1659854 XBPUQLWKZKQIEP-UHFFFAOYSA-N 364.421 4.005 5 40 FIBB Cc1nc(Cc2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cs1 7174143 GFVDIDROEHTAHL-SECBINFHSA-N 362.436 4.187 5 40 FIBB O=C(CCC(=O)c1ccc2c(c1)CCCC2)OCc1ccccc1[N+](=O)[O-] 22524634 RHHUCNXQPKZVBM-UHFFFAOYSA-N 367.401 4.180 5 40 FIBB O=[N+]([O-])c1ccccc1OCCCC(F)(F)C(F)(F)Br 1083811109 XQHMSJFFEVENIX-UHFFFAOYSA-N 360.101 4.377 5 40 FIBB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 7903288 RCMAIOJQTNVMDD-CYBMUJFWSA-N 374.462 4.050 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2c3sc(O)nc3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 299884582 UBNTWWIYDHXBIH-OIAGVMEESA-N 360.460 4.409 5 40 FIBB CN(C)c1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 3512734 ZVPGNPLKNBUITL-UHFFFAOYSA-N 373.408 4.369 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)ccc1C(C)C 5750585 DXVIHPYOWOWXLA-UHFFFAOYSA-N 358.394 4.053 5 40 FIBB Cc1c(CSc2nncn2CCc2cccs2)cccc1[N+](=O)[O-] 40127835 XPPHSVNSQPCFCI-UHFFFAOYSA-N 360.464 4.091 5 40 FIBB O=[N+]([O-])c1cc(CNC2CCN(Cc3ccccc3)CC2)ccc1Cl 58165466 CEBRXNQZZWRVAQ-UHFFFAOYSA-N 359.857 4.002 5 40 FIBB COc1cc2cnc3c4cc(OC)c(OC)cc4c(O)cc3c2cc1OC 1579618 GZELPONIDRTJFS-UHFFFAOYSA-N 365.385 4.281 5 40 FIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2ccccc2)cc1 711013 HZPOEHNWGVKDDP-UHFFFAOYSA-N 360.325 4.188 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1SCC(F)(F)F 12986034 SNFHCLUPHIXZSJ-UHFFFAOYSA-N 370.352 4.430 5 40 FIBB Cc1cc(C(=O)NCCSCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 5245466 OFLGVOBTMJZPQI-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CC1(Cl)Cl 2200912 GIBUAFIATYORPH-HNNXBMFYSA-N 351.189 4.049 5 40 FIBB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 5268314 PZQVLGBHFBETOL-UHFFFAOYSA-N 357.366 4.039 5 40 FIBB Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 6275266 NQRLAQWQOKCCRO-UHFFFAOYSA-N 359.432 4.244 5 40 FIBB CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc21 58162800 NHQQWXODDYLIFC-HXUWFJFHSA-N 350.422 4.302 5 40 FIBB COc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225865964 HIIXDTYIRPTJLK-UHFFFAOYSA-N 369.421 4.147 5 40 FIBB COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] 830133 ADKXFDUJAFYRRG-UHFFFAOYSA-N 360.369 4.427 5 40 FIBB Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(C)c1Cl 1036318 SIXJACBODLOHGI-UHFFFAOYSA-N 359.769 4.494 5 40 FIBB O=C(NCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 3603092 GJJQLBQKNSOZQL-UHFFFAOYSA-N 359.596 4.485 5 40 FIBB CCc1cccc(CC)c1NC(=O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 9691873 NFXWHILUDGANGX-HNNXBMFYSA-N 369.465 4.351 5 40 FIBB O=C(NCCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl 10280431 QEDYXXJRRMQOFF-UHFFFAOYSA-N 368.817 4.051 5 40 FIBB CCC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 24777142 VCMKIWHMTIYTHG-IBGZPJMESA-N 355.438 4.445 5 40 FIBB CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 38771442 RCFIHCXFBRITDU-GOSISDBHSA-N 374.462 4.104 5 40 FIBB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc([N+](=O)[O-])cc1Cl 40112531 ZQOBXDCKBJRRCI-UHFFFAOYSA-N 370.752 4.083 5 40 FIBB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 830418 PDXWWPWCMPAWNV-UHFFFAOYSA-N 367.292 4.387 5 40 FIBB O=C(NCCOc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl 5876626 VCUCXYJKHDGXQA-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB CNc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1[N+](=O)[O-] 6637420 JTOYFRHPDZSVJS-VMPITWQZSA-N 350.334 4.263 5 40 FIBB O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O)c1ccccc1 12601109 ZCDCCOXLJRDPCG-UHFFFAOYSA-N 368.370 4.274 5 40 FIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2cc(F)ccc2[nH]1 32760160 LUBZUAIMAPYTPO-UHFFFAOYSA-N 361.760 4.141 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 48324599 QMAHCZLZTXWZRD-NSHDSACASA-N 355.350 4.232 5 40 FIBB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] 4600189 FKCBARLCVFVBRE-UHFFFAOYSA-N 370.217 4.028 5 40 FIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12573583 KQTSIYGETRCWCS-HNNXBMFYSA-N 370.796 4.102 5 40 FIBB O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1cccc(F)c1 6321598 GXFVQFGUTJEDJQ-VOTSOKGWSA-N 352.159 4.415 5 40 FIBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1Br 6480171 FPYLXVYFDOJRIL-UHFFFAOYSA-N 350.168 4.023 5 40 FIBB COc1ccc([N+](=O)[O-])cc1Oc1nc(-c2cccnc2)nc2ccccc12 8119896 JHZSWIKHBLYCKP-UHFFFAOYSA-N 374.356 4.401 5 40 FIBB Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 8288037 IRUQTBIYBFQNQG-UHFFFAOYSA-N 373.840 4.412 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1Cc1ccccc1 58165963 AAHVZQVAQSIOMX-JXOMPUQVSA-N 350.418 4.232 5 40 FIBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc([N+](=O)[O-])o1 812041 ABGOHQWBOQHEKE-UHFFFAOYSA-N 358.162 4.357 5 40 FIBB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)cc1 1862697 RNFGELPBDPVSQQ-UHFFFAOYSA-N 355.371 4.030 5 40 FIBB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 12765812 FPIDXNXWRLEVNF-UHFFFAOYSA-N 351.815 4.226 5 40 FIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F 27359034 UZROGWADPLSSAU-AWEZNQCLSA-N 350.321 4.077 5 40 FIBB CCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 1934586 OMJMCPHGCSLERV-CSKARUKUSA-N 356.378 4.044 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 16101621 DCDIFIPNCYSJNR-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 5508592 FBZFGXGLMPTFNK-GFCCVEGCSA-N 361.781 4.293 5 40 FIBB CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 5907007 BPCWRWSDRWIIQW-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB CCCCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2)c([N+](=O)[O-])c1 59489755 GLSIMAGPOIIAIE-UHFFFAOYSA-N 373.365 4.072 5 40 FIBB Cc1ccc([C@@H](C)OC(=O)c2csc(-c3ccccn3)n2)cc1[N+](=O)[O-] 97227503 ZZXJOHRIKNQFOW-GFCCVEGCSA-N 369.402 4.340 5 40 FIBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 5869708 DRBZIHHLTAUDDH-SECBINFHSA-N 355.177 4.308 5 40 FIBB O=C(Nc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1Cl 6257430 OQQZRBGEDRPBHM-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB CCN(CC)C(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 7544517 FYFILWVPXCFAGU-KRWDZBQOSA-N 362.813 4.237 5 40 FIBB Nc1nc(Nc2cccc(Cl)c2)nc(Nc2ccccc2)c1[N+](=O)[O-] 9009497 LSAZFTGIOISDMI-UHFFFAOYSA-N 356.773 4.108 5 40 FIBB COc1ccc(NC(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6398346 BAWDLCJRSAXGJM-UHFFFAOYSA-N 365.392 4.001 5 40 FIBB O=C1OC(c2cccc(Cl)c2)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 19948761 XONNFMQYOZESEL-QQDISNATSA-N 354.749 4.149 5 40 FIBB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 1440955 LIOBMLPBXAKZMS-UHFFFAOYSA-N 358.247 4.014 5 40 FIBB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])n2)o1 14914110 SEJAPVCUAJCDGA-VQHVLOKHSA-N 355.375 4.272 5 40 FIBB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 24190881 KQPIJVRNMZZYIG-UHFFFAOYSA-N 373.840 4.121 5 40 FIBB Cc1ccc2nsnc2c1NC(=S)c1ccc(Cl)c([N+](=O)[O-])c1 30822879 YTHPRJRLLKGXPX-UHFFFAOYSA-N 364.839 4.349 5 40 FIBB CC(=O)c1ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])c1 40153791 HAVFZASUIMRMLM-KRWDZBQOSA-N 356.378 4.099 5 40 FIBB CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC 224710840 IBADOYWBAVWPFV-UHFFFAOYSA-N 372.421 4.481 5 40 FIBB Cc1ccc(NC(=O)[C@@H]2CCCN2Sc2ccccc2[N+](=O)[O-])c(C)c1 1059746 PXTBJOKUDLPNDS-KRWDZBQOSA-N 371.462 4.322 5 40 FIBB Cc1nc2ccc3nc(NC(=O)c4ccc([N+](=O)[O-])cc4)sc3c2s1 3196048 BOUHVQDIKRCPSB-UHFFFAOYSA-N 370.415 4.375 5 40 FIBB CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 6376854 JXOBHYPTLKKLDF-UHFFFAOYSA-N 350.330 4.310 5 40 FIBB COC(=O)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8119898 RUYBWDMMHNLWBG-UHFFFAOYSA-N 368.301 4.235 5 40 FIBB C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 10797669 LVJGSWTUHHNVOQ-CQSZACIVSA-N 350.374 4.004 5 40 FIBB CC(C)c1ccc(-c2nonc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 13731792 COQWSNJKDLKXOX-UHFFFAOYSA-N 352.350 4.021 5 40 FIBB CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nc2ccccc21 4484596 BNURHMJFEYIMMA-UHFFFAOYSA-N 370.434 4.004 5 40 FIBB O=C(Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 8470786 SFLWMYAJHJSLBX-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 20050572 CHBTWJKWXNBOOY-BJMVGYQFSA-N 374.780 4.077 5 40 FIBB CSCc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 9385369 RAYIPUKXPIHSSE-UHFFFAOYSA-N 351.331 4.011 5 40 FIBB C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1ccc2c(c1)CCC(=O)N2 52360295 NSGUZTIVZRYARQ-GFCCVEGCSA-N 362.389 4.201 5 40 FIBB CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 13674892 DPJRHONPOLVHEP-OAHLLOKOSA-N 360.797 4.280 5 40 FIBB CC(C)CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4358157 YRMXPZZJIJLMTB-UHFFFAOYSA-N 373.365 4.450 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCC12CC3CC(CC(C3)C1)C2 5750154 YMARMECIXQRPTB-ZZXKWVIFSA-N 354.450 4.331 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1 8471197 ABYKLLPGCSCJHP-ZCQKWSGTSA-N 372.380 4.043 5 40 FIBB Cc1c(F)cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] 40141998 ANQUWRYOWCKLHO-UHFFFAOYSA-N 355.325 4.313 5 40 FIBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccnc3)=NN21 226783474 DYXKSWVGCMUFNU-PZJWPPBQSA-N 372.384 4.232 5 40 FIBB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 19932857 BBLSGWPQEFUMDY-MRXNPFEDSA-N 358.394 4.016 5 40 FIBB Cc1cccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)c1 72229120 YTAFPQATCXIKGV-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB CCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 100711244 NGOSESDQPKFNNV-UHFFFAOYSA-N 374.396 4.301 5 40 FIBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccnc3)=NN21 226783467 DYXKSWVGCMUFNU-FPOVZHCZSA-N 372.384 4.232 5 40 FIBB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1[N+](=O)[O-] 7113466 MXVKHQGVZKVKQT-HNNXBMFYSA-N 365.311 4.032 5 40 FIBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 12934951 DWBMWDLDQWOPPQ-UHFFFAOYSA-N 360.797 4.062 5 40 FIBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1Cl 15009793 BCUOAIYFYNGLFD-UHFFFAOYSA-N 365.792 4.486 5 40 FIBB Cc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1 20039076 VBAHTVBADORHPW-HNNXBMFYSA-N 358.463 4.322 5 40 FIBB O=[N+]([O-])c1ccc([C@@H]2N(c3ccc([N+](=O)[O-])cc3)C2(Cl)Cl)cc1 39475063 UWTIQVJLXDSYLU-CWQZNGJJSA-N 354.149 4.196 5 40 FIBB CC1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 52935481 ABUGJELFAQRORS-HNNXBMFYSA-N 368.437 4.035 5 40 FIBB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc([N+](=O)[O-])c1 408628243 RIDLZSXLAROMGI-UHFFFAOYSA-N 373.368 4.333 5 40 FIBB C[C@H](Oc1cc(O)c2c(=O)c3ccccc3oc2c1)C(=O)c1ccccc1 8488813 VYCRPVANARMKGG-ZDUSSCGKSA-N 360.365 4.302 5 40 FIBB biogenic O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 17074171 FPTQZHKFFSFDCA-UHFFFAOYSA-N 359.813 4.096 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 58969471 HVDDKHMXEOWXNQ-CQSZACIVSA-N 372.421 4.441 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1Cl 160328563 NCUNVRMDDUJKDK-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1 408530935 SPQNWFGXCIACBM-UHFFFAOYSA-N 373.727 4.064 5 40 FIBB COc1cc2c(C)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C 1104937 RBCAXOSUUINIHP-UHFFFAOYSA-N 367.445 4.328 5 40 FIBB biogenic,in-vitro COC(=O)c1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3247670 JETKLZCPXVCOGI-UHFFFAOYSA-N 360.416 4.283 5 40 FIBB CC(C)n1ncc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(C3CC3)nc21 19159176 XMFIATUEVJDYSK-UHFFFAOYSA-N 365.393 4.050 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2Cl)c1C 112164206 NMOVBSYHWMLHSW-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cccc([N+](=O)[O-])c1 4034011 NSVWVCGTDIGHNM-UHFFFAOYSA-N 358.357 4.162 5 40 FIBB Cc1nn(-c2ccc(Cl)c(C(=O)O)c2)c(C)c1-c1cccc([N+](=O)[O-])c1 4178840 XOZVGQUZKBLIAF-UHFFFAOYSA-N 371.780 4.416 5 40 FIBB CSc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] 5426321 HTYPJEKBSAMEHY-UHFFFAOYSA-N 371.823 4.071 5 40 FIBB CCN(CC)c1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] 20897686 HUNFRKZWQMGKTM-UHFFFAOYSA-N 352.394 4.466 5 40 FIBB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 29371970 TUTAKQYSVHZUBK-UHFFFAOYSA-N 373.372 4.467 5 40 FIBB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 30757672 YLDYMDWHZVSPEU-GOSISDBHSA-N 356.422 4.050 5 40 FIBB COc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 4893848 HPSMZNVHQUQVJY-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8485292 FVUXZJAMEYJRCP-UHFFFAOYSA-N 357.168 4.313 5 40 FIBB O=c1oc2ccccc2c(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 17124479 SORAHEYCGKHLMC-UHFFFAOYSA-N 361.151 4.207 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1ccccc1C 36621077 WWBMIBFURRPDIP-KRWDZBQOSA-N 355.394 4.281 5 40 FIBB Cc1ccc(CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)o1 5689597 FKOJBLZJGHWCJU-UHFFFAOYSA-N 371.437 4.149 5 40 FIBB COc1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 23394336 OWMSMQIZCWPLEK-NSHDSACASA-N 355.350 4.232 5 40 FIBB COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(C)c2[N+](=O)[O-])cc1 5337615 GDVFRIQZMYJKRW-UHFFFAOYSA-N 365.393 4.497 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2ccccc21 20050959 ZUAZZENUJLIRKY-GOSISDBHSA-N 356.447 4.022 5 40 FIBB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 223382107 JFHOAKXHIBJIEL-UHFFFAOYSA-N 356.422 4.010 5 40 FIBB Cc1cc(NC(=O)c2ccc(F)c(F)c2)nc2c1c(=O)oc1ccccc12 4108221 RBJNCSPXGBGDKT-UHFFFAOYSA-N 366.323 4.180 5 40 FIBB O=C(/C=C/c1cc(Br)cs1)Nc1ccc([N+](=O)[O-])cc1 4506028 WNRDQDIYAUHWAD-AATRIKPKSA-N 353.197 4.071 5 40 FIBB CN(C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 6247447 UFLFXZFPLGJCGH-MRXNPFEDSA-N 353.344 4.328 5 40 FIBB CN(C)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229253 QXIQWFRQOFOWEQ-UHFFFAOYSA-N 354.193 4.220 5 40 FIBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 408624244 BUJNGNGOMOAVTC-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB CN(C)c1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1 408974359 FHCVFDGHDALURS-UHFFFAOYSA-N 357.417 4.493 5 40 FIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(F)(F)F 54216733 ZKNHHXDTSBZPJK-SECBINFHSA-N 372.274 4.159 5 40 FIBB Cc1ccc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 12773999 KDQWCVUDLFJICW-BUBBNXEVSA-N 371.433 4.234 5 40 FIBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC 5501156 GSIDREWZVJVEIF-UHFFFAOYSA-N 370.434 4.174 5 40 FIBB O=C(COC(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6883787 SMBKLWKNIQBMBY-UHFFFAOYSA-N 367.313 4.020 5 40 FIBB CCCCOc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 2025248 QGSKBCZNUMCERT-PDGQHHTCSA-N 366.373 4.118 5 40 FIBB CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 226334852 UDJLLMVGABAOPX-UXBLZVDNSA-N 361.781 4.404 5 40 FIBB O=C(O)/C=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1 5390767 XYOUZHFSFDPHGK-BHQIHCQQSA-N 370.308 4.258 5 40 FIBB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1[N+](=O)[O-] 14604178 KDTPUMOHJFAJPQ-UHFFFAOYSA-N 367.327 4.240 5 40 FIBB O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1cccc([N+](=O)[O-])c1 2793223 DPMNVZJSMFUVGK-UHFFFAOYSA-N 365.317 4.058 5 40 FIBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cccc(Cl)c1 3145664 BSHRLOROWDNKHJ-NTUHNPAUSA-N 363.156 4.246 5 40 FIBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CC1 6045882 IINLBLUFHFGZGB-UHFFFAOYSA-N 350.472 4.447 5 40 FIBB COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 6952734 XXFBWCRNQFDRKC-UHFFFAOYSA-N 355.778 4.205 5 40 FIBB O=[N+]([O-])c1cccnc1NCc1ccc(-c2nc3ccccc3s2)o1 24827191 BOLUGQINNZXQKH-UHFFFAOYSA-N 352.375 4.472 5 40 FIBB CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 223022394 CJMQNZSQNCEGGR-IBGZPJMESA-N 352.434 4.284 5 40 FIBB COc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] 12885769 NSBYCISFSLNNLW-UHFFFAOYSA-N 356.378 4.177 5 40 FIBB Nc1nc(Nc2cccc(Cl)c2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 17250728 HBKLQRAJOLXIBA-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 14258295 LSKLQFDLJFXTNZ-UHFFFAOYSA-N 355.177 4.471 5 40 FIBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 89573930 WRZLKWDFXGVXAB-LBPRGKRZSA-N 368.418 4.104 5 40 FIBB O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1385580 QRRQYQFLEBECRZ-UHFFFAOYSA-N 358.703 4.197 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c3ccccn23)cc([N+](=O)[O-])c1 2709405 UUQLIIYLTXWHDQ-UHFFFAOYSA-N 360.329 4.485 5 40 FIBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl 3560941 NLMMUPLRKOHSPA-UHFFFAOYSA-N 360.675 4.399 5 40 FIBB Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c3c(c(=O)oc2c1)CCC3 5554561 KWVRRMQBFZRALX-UHFFFAOYSA-N 351.358 4.077 5 40 FIBB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] 6830996 QXTQCIOPGMUHSB-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222955632 NTZILWLEIXURCM-INIZCTEOSA-N 358.394 4.016 5 40 FIBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2248142 HNKPAPAWAWIFTP-UHFFFAOYSA-N 361.449 4.066 5 40 FIBB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 38853959 QNMRKZONWZRTBF-OAHLLOKOSA-N 353.422 4.079 5 40 FIBB Cc1c(CSc2nncn2-c2cccc(Cl)c2)cccc1[N+](=O)[O-] 40127494 DHUWWURRZMSDND-UHFFFAOYSA-N 360.826 4.430 5 40 FIBB Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 1296650 TYTXHXXFDXVMSU-UHFFFAOYSA-N 357.369 4.269 5 40 FIBB CCCCN(CCCC)CCOC(=O)c1c(C)ccc([N+](=O)[O-])c1C 1676667 HAZWXEPYGSVVDV-UHFFFAOYSA-N 350.459 4.271 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Cl)c(Cl)c1 1735620 AYSPZQUOXYCAQC-RIYZIHGNSA-N 363.156 4.246 5 40 FIBB Cc1nc2c(ccc3nc(NC(=O)c4ccc([N+](=O)[O-])cc4)sc32)s1 4173986 FJKXQJQKVCYCRU-UHFFFAOYSA-N 370.415 4.375 5 40 FIBB O=C(COc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 7168066 FZPOBYBMHFYDFN-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 19932860 BBLSGWPQEFUMDY-INIZCTEOSA-N 358.394 4.016 5 40 FIBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Nc2ccccc21 28510814 ZHSFHKXWPHFPIZ-KRWDZBQOSA-N 351.387 4.177 5 40 FIBB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 33158547 LKLPJTMWIPBFLT-UHFFFAOYSA-N 371.393 4.342 5 40 FIBB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] 40061839 DLWCJGBXGKCODE-UHFFFAOYSA-N 374.194 4.399 5 40 FIBB CCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC 224419162 MUCSXQUAOJZPNL-UHFFFAOYSA-N 358.394 4.091 5 40 FIBB COc1ccc2c(=O)c3c(nc(C(C)C)n4c5ccccc5nc34)oc2c1 5208932 GNYOTFBHOXBFPT-UHFFFAOYSA-N 359.385 4.274 5 40 FIBB CC[N+](C)(CC)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9763898 NYKPYMBEIJYQRW-GPUVRGFBSA-N 372.573 4.381 5 40 FIBB CCOCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)oc2ccccc12 12789114 QZJJNEGAYFPVJA-UHFFFAOYSA-N 370.361 4.138 5 40 FIBB Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)c1 5076599 YEEMCPPRULHJCF-UHFFFAOYSA-N 350.382 4.071 5 40 FIBB COc1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c([N+](=O)[O-])c1 7715346 DKDGNYLGGZBGET-JCKWVBRZSA-N 364.442 4.019 5 40 FIBB Cc1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)ccc2[nH]1 25129083 BSNJTUOAVRVGFQ-UHFFFAOYSA-N 364.405 4.237 5 40 FIBB O=[N+]([O-])c1ccc(NCCNc2ccc3ccccc3n2)c2ccncc12 65609881 VUBKZXAFGLGQSO-UHFFFAOYSA-N 359.389 4.215 5 40 FIBB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 1022195 BQEUMOACFNTUFC-SFQUDFHCSA-N 350.374 4.237 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc2ccccc2c1 2628302 PKBAXWUDJAUWOZ-UHFFFAOYSA-N 368.414 4.487 5 40 FIBB C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6260089 UJYBQPFUXVOOPF-NSHDSACASA-N 368.817 4.089 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc23)CC1 10383141 CASIKPKAGKKZHG-UHFFFAOYSA-N 362.389 4.397 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2ncccc2c2cccnc12 6251252 SRCVLLOXEWZHJD-UHFFFAOYSA-N 359.345 4.335 5 40 FIBB O=C(Nc1cccc(F)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 97165909 XJHUUYSAFRAFRH-UHFFFAOYSA-N 368.314 4.351 5 40 FIBB O=C(Nc1ccccc1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 40079749 OCUIPTGUCGVBHA-UHFFFAOYSA-N 358.357 4.390 5 40 FIBB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 995111 GWFCTLMXMIWNHD-VIFPVBQESA-N 355.177 4.308 5 40 FIBB CN(C)c1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1 6356928 OKUSCVDGHRIZQH-UHFFFAOYSA-N 357.417 4.493 5 40 FIBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1Cl 12555881 NVJUCNFZXIOFDO-UHFFFAOYSA-N 351.765 4.218 5 40 FIBB CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1NCc1ccc(C)cc1 20405764 ZKUWUQQKVLSEOE-UHFFFAOYSA-N 365.389 4.240 5 40 FIBB C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 32806320 CRRQESODQUEYKL-JTQLQIEISA-N 350.300 4.434 5 40 FIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 325781335 LLKOYQXYGLEWQI-UHFFFAOYSA-N 370.148 4.371 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1 828633 QQGYKIGYLWGMGX-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])Oc1nonc1-c1ccccc1 5172280 VOKWSAJLNVXPEC-NSHDSACASA-N 374.784 4.178 5 40 FIBB O=C(Cc1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 5268296 VFRWUCJBZHALJI-UHFFFAOYSA-N 357.366 4.039 5 40 FIBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccccc1Oc1ccccc1 8401749 KEGHBMJKOUXKJB-UHFFFAOYSA-N 373.368 4.145 5 40 FIBB CNc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 28911036 ZKYDBSSJFCVXNH-FQEVSTJZSA-N 374.400 4.408 5 40 FIBB CCc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 408916878 HVNCXHKTYCTEKL-GZTJUZNOSA-N 368.414 4.394 5 40 FIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3)cnc21 2206299 ZHXSLDOAENSHCP-UHFFFAOYSA-N 369.428 4.084 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 8707741 MSDNEPSHRMRVAM-INIZCTEOSA-N 370.796 4.102 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1 84177538 BYAWLZCLGBUDRB-QGZVFWFLSA-N 373.497 4.020 5 40 FIBB Cc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)cnc2c1-c1ccc(F)cc1 40385270 TYEIJFMKUYQXEW-UHFFFAOYSA-N 363.352 4.001 5 40 FIBB CCOc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 3332207 KFVGUROYZPHPMY-UHFFFAOYSA-N 358.394 4.018 5 40 FIBB COc1ccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1 5193214 VVGQOBFQJIYQBI-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB CN(C)c1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1 408976148 PQUFREKLOZTURZ-UHFFFAOYSA-N 357.417 4.493 5 40 FIBB CC(C)COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 2132654 JSAHWRWJVNYPMA-ZPVUCFGCSA-N 360.518 4.287 5 40 FIBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1csc(-c2ccccc2)n1 3452933 QCBOEWNAINITNF-ZHACJKMWSA-N 366.398 4.475 5 40 FIBB C[C@@H](NCc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 57733389 MXFUGKOQWHERSP-SNVBAGLBSA-N 368.220 4.018 5 40 FIBB Cc1ccsc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214893483 ODYPXHMFUBVFLW-RIYZIHGNSA-N 360.416 4.201 5 40 FIBB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C 7093748 IDANMZADQLTAKY-OAHLLOKOSA-N 358.463 4.322 5 40 FIBB COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 226319243 OLVRNWKTUIEHNV-UHFFFAOYSA-N 356.161 4.267 5 40 FIBB Cc1ccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1C 409108288 ZKKHLWPOQGLTSH-UHFFFAOYSA-N 354.435 4.393 5 40 FIBB O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 1024436 BYZONGNQJNFGSJ-HXUWFJFHSA-N 359.385 4.362 5 40 FIBB Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 8711034 WUPQRJNRTYUNHW-UHFFFAOYSA-N 356.425 4.410 5 40 FIBB COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 12780662 HWHULGXNVGXVMZ-UHFFFAOYSA-N 360.797 4.062 5 40 FIBB Cc1ccc(SCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 14803309 NQUFIBUISWBAGJ-UHFFFAOYSA-N 350.827 4.079 5 40 FIBB O=[N+]([O-])c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl 16048099 LIQNUNTYFLEFAC-BQYQJAHWSA-N 373.217 4.314 5 40 FIBB O=C(Nc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1Cl 45990260 MLDXHROEIGHAPN-UHFFFAOYSA-N 373.565 4.402 5 40 FIBB O=C(c1ccc2nc3ccccc3nc2c1)N1CC[C@H](c2ccccc2)C1 408977301 VGYRINFPKYVHOL-SFHVURJKSA-N 353.425 4.413 5 40 FIBB CC(=O)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)oc1ccccc12 1303221 DFVZZSPGEPENHI-UHFFFAOYSA-N 365.776 4.015 5 40 FIBB COC(=O)c1ccc(OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3377634 UYRSJWCVJPPGSD-UHFFFAOYSA-N 360.365 4.312 5 40 FIBB CCC[C@H](C)N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 7780406 LFPFIMWZTKGTKF-KXBFYZLASA-N 355.438 4.361 5 40 FIBB Cc1ccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1 408527031 AKPYCPHVCFFERI-JXMROGBWSA-N 360.373 4.012 5 40 FIBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 3064726 QJYNTZGWFQARJA-UHFFFAOYSA-N 363.329 4.422 5 40 FIBB COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3442324 SJSDQZKFNGKOJT-UHFFFAOYSA-N 356.161 4.267 5 40 FIBB COc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 4069856 GZPAGKKREVAINE-UHFFFAOYSA-N 361.404 4.041 5 40 FIBB CCCCCC(=O)Nc1ccc(C(=O)COc2cccc([N+](=O)[O-])c2)cc1 6061126 VYLHSNMCLFHFJN-UHFFFAOYSA-N 370.405 4.375 5 40 FIBB Cc1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 7361881 AYWCDGCUFQAYPH-ZDUSSCGKSA-N 354.435 4.396 5 40 FIBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(-c2ccccc2)n1 1310693 OMVRLLONIMTCRK-UHFFFAOYSA-N 350.355 4.492 5 40 FIBB Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(F)cc1)=N2 4129798 SOIWXUKAZUHPQE-UHFFFAOYSA-N 374.375 4.476 5 40 FIBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC12CC3CC(CC(C3)C1)C2 5008362 IPDDNNZDDIJKCG-RNJZWHOHSA-N 372.490 4.385 5 40 FIBB Cc1ccsc1CN(C)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 21797507 BYTYDYQAJUOBEB-UHFFFAOYSA-N 373.478 4.227 5 40 FIBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 409197001 ZKTTYBUZSRNUNB-VXPUYCOJSA-N 367.430 4.020 5 40 FIBB CC(=O)c1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c([N+](=O)[O-])c1 7983425 SHXNHJGRKNYCOR-UHFFFAOYSA-N 373.840 4.086 5 40 FIBB Cc1ccccc1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1 57800883 ZUIHVCJCYVEAPB-IBGZPJMESA-N 353.422 4.069 5 40 FIBB CCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1OCC 832526 HHECVHBZLGWEOM-UHFFFAOYSA-N 355.350 4.109 5 40 FIBB CCOc1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)c([N+](=O)[O-])c1 4313598 WWSFOMCHRABEDX-UHFFFAOYSA-N 364.785 4.298 5 40 FIBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 5701331 KZPBJWNYERVLRD-OAQYLSRUSA-N 373.412 4.404 5 40 FIBB COc1ccc(Nc2nc(N(C)c3ccccc3)nc(C)c2[N+](=O)[O-])cc1 5360725 FAMYPSHFPNOIIC-UHFFFAOYSA-N 365.393 4.213 5 40 FIBB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 7804785 OOSOFSREPNWSHP-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12673279 JWTIOSNMPJDLQD-KPZWWZAWSA-N 373.840 4.316 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)s2)cs1 12982254 UVZRKXPWXDJTHM-UHFFFAOYSA-N 359.432 4.018 5 40 FIBB Cc1sc2nc(-c3cccs3)nc(-n3cc([N+](=O)[O-])cn3)c2c1C 13008310 ZSEQLVHHALEVER-UHFFFAOYSA-N 357.420 4.131 5 40 FIBB CN1/C(=C\[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21 13040948 IVZMWOLSZWXFMQ-PFHZTYADSA-N 366.417 4.087 5 40 FIBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 14257153 OZOFTLFKRSARFN-UHFFFAOYSA-N 370.386 4.188 5 40 FIBB Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 12560354 QCHVMTVYKRLPTA-MRXNPFEDSA-N 360.776 4.322 5 40 FIBB O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1[N+](=O)[O-] 4815798 APOFGWYKYBXKCI-UHFFFAOYSA-N 358.357 4.162 5 40 FIBB COc1ccccc1-c1nc(CNc2ccc(F)c([N+](=O)[O-])c2)cs1 9586083 LYCCNEMZPUFRFX-UHFFFAOYSA-N 359.382 4.478 5 40 FIBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 14258469 TTZDGLCBCLNAKF-UHFFFAOYSA-N 361.785 4.157 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)c1ccc(Cl)cc1 30859464 ZWKGLORMMRODDS-AWEZNQCLSA-N 360.719 4.413 5 40 FIBB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 2959637 WPXJPLGGTGRLSY-CYBMUJFWSA-N 364.474 4.043 5 40 FIBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2-c2ccccc2)cc1 5486071 HGCXDANGMCAFHL-UHFFFAOYSA-N 368.414 4.371 5 40 FIBB O=C(CN(C1=NCCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 8436120 FHVWXEHVQVGSRS-UHFFFAOYSA-N 351.406 4.257 5 40 FIBB Cc1cccc(CN2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 9063061 QQMBPTGWZGPCHZ-UHFFFAOYSA-N 367.449 4.062 5 40 FIBB CCN(Cc1cccc(Cl)c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 47958272 POSFUYURZUCQGD-UHFFFAOYSA-N 372.812 4.320 5 40 FIBB O=C(c1cccs1)N(CCOc1ccccc1)c1ccccc1[N+](=O)[O-] 59488855 KLEBWJABEICYQE-UHFFFAOYSA-N 368.414 4.382 5 40 FIBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 408607356 LFJXSORALLWASG-UHFFFAOYSA-N 367.199 4.074 5 40 FIBB O=C(Nc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1 2661082 YVZKIYNSSVAAKC-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB O=C(O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1CC=CCC1 12600648 DHWDEFYGPCSOMN-LLVKDONJSA-N 372.402 4.316 5 40 FIBB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 20991015 ZWDWUWQPAOHFKL-SECBINFHSA-N 370.192 4.011 5 40 FIBB CC(C)C[C@H](C)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 36395595 WESPZBGPIGXUKQ-ZDUSSCGKSA-N 362.455 4.129 5 40 FIBB CCN(CC)c1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] 8587076 QFHWYVAHENODHS-UHFFFAOYSA-N 352.394 4.466 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 11914876 CZAHSBXFSPDAOV-UHFFFAOYSA-N 367.430 4.224 5 40 FIBB Cc1c(NC(=O)Cc2csc(-c3ccsc3)n2)cccc1[N+](=O)[O-] 12947482 RUPUDEUZODAWBT-UHFFFAOYSA-N 359.432 4.269 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc(C)cc(C)c2c1C 9368870 HEDRCEBPKLVBHX-UHFFFAOYSA-N 371.418 4.391 5 40 FIBB O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 9108746 DJKDMCBKFXVRDQ-AWEZNQCLSA-N 368.780 4.112 5 40 FIBB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1[N+](=O)[O-] 14207094 ZLIQITGLLCHOGQ-UHFFFAOYSA-N 369.352 4.269 5 40 FIBB CSc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 23503558 VQSFGLXLBYVPKY-SNVBAGLBSA-N 366.389 4.428 5 40 FIBB COc1cc(SC)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 669896 DHMAAQNUEWQZOE-UHFFFAOYSA-N 352.799 4.231 5 40 FIBB O=[N+]([O-])c1ccc(C2=NO[C@@H]3[C@H]2C3(c2ccccc2)c2ccccc2)cc1 4729175 OYSKUIOHXZPLOM-PZJWPPBQSA-N 356.381 4.314 5 40 FIBB Cc1ccc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 32954454 CNUKRXSYHIBOPU-UHFFFAOYSA-N 354.406 4.169 5 40 FIBB Cc1cccc(CSCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 408577323 YMLFIVNQBPYLGO-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB CC(=O)c1ccc(-n2cnc3c(sc4nc5ccccc5cc43)c2=O)cc1 643056 BPDZRGXSQWBXJN-UHFFFAOYSA-N 371.421 4.351 5 40 FIBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 4600343 PIGYPGZIOWKNMF-UHFFFAOYSA-N 351.318 4.217 5 40 FIBB Cc1csc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 5748686 NALSORYBDDVHII-VQHVLOKHSA-N 355.375 4.272 5 40 FIBB Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 6912416 LUWJIUVNDYNBGN-UHFFFAOYSA-N 367.449 4.166 5 40 FIBB CSc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 7282600 YALLVWGPLVYIMV-UHFFFAOYSA-N 371.462 4.172 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 18033961 XPDKBYXIHXVCHA-CAPBHKODSA-N 369.248 4.389 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(F)cc1F 59785385 VNLZSLHZSVCJBQ-UHFFFAOYSA-N 372.327 4.242 5 40 FIBB O=[N+]([O-])c1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193802 WFMRHKSYHWHYSS-UHFFFAOYSA-N 363.358 4.174 5 40 FIBB CC(C)(C)c1ccc(N/C=C(\[C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 3052032 XHWBDFZTWKPMLA-XCMFGDQWSA-N 352.390 4.426 5 40 FIBB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 30872673 HXDZIBAHBCXJGT-MRXNPFEDSA-N 364.785 4.053 5 40 FIBB CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC 224439929 QDHHGSXQBDFJOT-UHFFFAOYSA-N 358.394 4.172 5 40 FIBB CCc1ccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 409095332 BWRRRJNZJASJKH-UHFFFAOYSA-N 354.435 4.339 5 40 FIBB CCOc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 5652664 OQTBYAMHOFMTIT-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB C[C@H]1CCc2c(sc3ncnc(OCc4cccc([N+](=O)[O-])c4)c23)C1 6559311 JULKVKMQAXGODC-NSHDSACASA-N 355.419 4.303 5 40 FIBB COC(=O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCCO[C@@H]21 6950751 RMGHXMLAAMGEHL-DKSSEZFCSA-N 368.389 4.016 5 40 FIBB COc1ccc(CN2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 20403820 UFLBNPYMTJCHOE-UHFFFAOYSA-N 373.408 4.307 5 40 FIBB biogenic CC(C)(C)c1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 64873717 HIPCXZIONIVPRH-UHFFFAOYSA-N 352.394 4.256 5 40 FIBB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7619281 UNBPECGHLHIVKS-GFCCVEGCSA-N 359.813 4.028 5 40 FIBB O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(Cc1ccco1)C1CCCC1 65669643 PWWHXAPQXIXSQH-UHFFFAOYSA-N 350.321 4.051 5 40 FIBB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2CO)c([N+](=O)[O-])c1 409109954 OMXBNDTUABSRRZ-UHFFFAOYSA-N 359.121 4.094 5 40 FIBB O=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2ccc([N+](=O)[O-])cc21 1699775 IDFOHTYJPYZHEX-UHFFFAOYSA-N 351.149 4.332 5 40 FIBB Cc1cc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)ccc1[N+](=O)[O-] 12975093 RCFADKOFFFUWBO-UHFFFAOYSA-N 371.418 4.029 5 40 FIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 15697174 OZYDPRITGRPIDT-CQSZACIVSA-N 367.430 4.224 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1-c1oc(/C=C/C(=O)O)cc1Br 57351226 RREQVUJVNPJRTK-SNAWJCMRSA-N 352.140 4.024 5 40 FIBB O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 5886401 HQWOIHZDOTUWON-AWEZNQCLSA-N 368.780 4.112 5 40 FIBB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])s1 10290984 CNJVEECLYWOUKH-OAHLLOKOSA-N 362.407 4.376 5 40 FIBB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)s1 214892294 VEIRMHIZOFCFJU-RIYZIHGNSA-N 360.416 4.201 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 218132115 FMIDABVWYLDALA-MRXNPFEDSA-N 354.406 4.244 5 40 FIBB CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 408819766 SXESXWVNVLEHED-QPEQYQDCSA-N 364.766 4.174 5 40 FIBB CC(C)c1ccc(NC(=O)c2cn(Cc3ccc([N+](=O)[O-])cc3)cn2)cc1 575615425 HPEJGSJHZPEYBJ-UHFFFAOYSA-N 364.405 4.215 5 40 FIBB O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc4ccccc34)CC2)c1 2734486 RTSMPTICRHFMHY-UHFFFAOYSA-N 361.445 4.066 5 40 FIBB COc1cc(OC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 6259278 WCETXJQDOBFDOJ-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12584959 IRJDSEBXYXNPKG-IYBDPMFKSA-N 359.470 4.378 5 40 FIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OCc2cscn2)cc1 12802945 AACPHVWKBMUQBN-UHFFFAOYSA-N 373.365 4.022 5 40 FIBB COc1ccc(OC)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 33547090 CQTORFWFZDMYOO-UHFFFAOYSA-N 368.345 4.124 5 40 FIBB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)S1 85411860 MTGZCPWTQDQEBC-INIZCTEOSA-N 372.450 4.476 5 40 FIBB CC(C)CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 225822910 WMPRNXFJIDUMDM-UHFFFAOYSA-N 372.859 4.100 5 40 FIBB CCOc1ccccc1-c1nnc(Sc2ccc(C=O)cc2[N+](=O)[O-])o1 408527584 OYUIMDJZALIUKI-UHFFFAOYSA-N 371.374 4.007 5 40 FIBB O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc(F)cc1 6660310 GBQJPRIYHRTHBF-UHFFFAOYSA-N 351.308 4.477 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 8108833 DGHYAVNRTHGYBY-CYBMUJFWSA-N 358.394 4.133 5 40 FIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 40079672 UWXAFXZGANTYJM-MRXNPFEDSA-N 363.417 4.148 5 40 FIBB Cc1ccc(C)c(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 48375485 PPVVFDVEJHPRQC-UHFFFAOYSA-N 367.449 4.091 5 40 FIBB Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 72229491 PTSNDZSVBFADGR-UHFFFAOYSA-N 355.177 4.228 5 40 FIBB CC[C@H](C)c1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 3553589 MYZNLHKZQQPYNK-LBPRGKRZSA-N 356.378 4.147 5 40 FIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccccc1[N+](=O)[O-] 6660298 CCTYCVTXJOCLGR-UHFFFAOYSA-N 360.325 4.107 5 40 FIBB COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cc1ccccc1 12998352 YKJSZUATPKJLSJ-UHFFFAOYSA-N 362.385 4.447 5 40 FIBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCSc2ccccc21 32897260 NHJJOTOKLSAXOW-UHFFFAOYSA-N 369.446 4.312 5 40 FIBB O=C([C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCCCC1 8184051 CZDCCZHOOYSYFG-GOSISDBHSA-N 374.824 4.381 5 40 FIBB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 22525288 XSVJRCVYHXIYAS-AWEZNQCLSA-N 374.462 4.104 5 40 FIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1cc(Cl)ccc1Cl 4587434 ZBDXLNVWAVSUNF-UHFFFAOYSA-N 370.108 4.090 5 40 FIBB Cc1cc(=O)oc2cc(OC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])ccc12 4800856 WDDOJAXIJQSVEM-UHFFFAOYSA-N 374.736 4.274 5 40 FIBB O=C(NCCCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 13674024 DQZMWVIPELRAQG-UHFFFAOYSA-N 353.205 4.264 5 40 FIBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1-c1ccc(CO)o1 20141034 BXQHKVBECSLGOB-UHFFFAOYSA-N 366.373 4.216 5 40 FIBB O=C(NC1CC1)[C@H](Sc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 96010331 ODMDEWLPWQMPPS-MRXNPFEDSA-N 362.838 4.360 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2cccnc2c2cccnc12 408978161 YNAVYQNVTZSGSK-UHFFFAOYSA-N 359.345 4.335 5 40 FIBB CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 3016595 HODFBDPIGRAUSN-UHFFFAOYSA-N 354.819 4.085 5 40 FIBB O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccc1[N+](=O)[O-] 4077599 GFWPKGOXTRQBQP-UHFFFAOYSA-N 351.746 4.249 5 40 FIBB Cc1nc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc12 21005845 ZJBUXOBFQDXXTA-UHFFFAOYSA-N 358.361 4.047 5 40 FIBB CSc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccccc2Cl)c1 31331538 OOTCRWYCORSDDF-UHFFFAOYSA-N 367.810 4.206 5 40 FIBB CCc1ccc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)o1 97162890 USKKFBRZQBQDMA-QGZVFWFLSA-N 357.410 4.090 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 29795846 LTPYXQUAQYXNPJ-UHFFFAOYSA-N 356.712 4.031 5 40 FIBB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409018504 MLEHUUSPIIQPRV-DHDCSXOGSA-N 358.375 4.300 5 40 FIBB Cc1c(C(=O)Nc2ccccc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] 217875593 SGZTUGKCOFTANT-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 36620416 XLMKAEUBEBBPNM-SFHVURJKSA-N 355.394 4.281 5 40 FIBB Nc1c(Br)cc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 226305321 UVHQYRBBOXPVMK-UHFFFAOYSA-N 351.244 4.407 5 40 FIBB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6267091 UJYBQPFUXVOOPF-LLVKDONJSA-N 368.817 4.089 5 40 FIBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc([N+](=O)[O-])c1 20140859 HMIOYXCIXANYBC-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20486622 PIJSVGKXZVCUDO-OAHLLOKOSA-N 352.749 4.183 5 40 FIBB O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCC1 25697035 MBIZEIVIFQNJBQ-UHFFFAOYSA-N 360.797 4.063 5 40 FIBB Cc1cc(Cl)ccc1OC[C@@H](O)C[N+]1(Cc2ccccc2)CCCC1 41690117 UGNCEOPNAJKANY-FQEVSTJZSA-N 360.905 4.199 5 40 FIBB CCC1(CC)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 224827133 BADZFNUMTDKVEC-QGZVFWFLSA-N 354.406 4.407 5 40 FIBB CN(C)c1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1 408977136 ULSHEHTYSXJMIK-UHFFFAOYSA-N 357.417 4.493 5 40 FIBB CCOC(=O)c1c(NC=O)sc2c1ccc1c3ccccc3n(C)c12 9096350 BBRGPDFFKOTBSO-UHFFFAOYSA-N 352.415 4.291 5 40 FIBB CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1 10113711 LGPSEIAJXLFOJW-UHFFFAOYSA-N 359.813 4.125 5 40 FIBB O=C(NCCOc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1Cl 16142132 KYMYCQIUZBFMAE-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)cc1 16956574 WWISOMMXRQBDMI-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCN(CC)CC 952240 VBZYFNCJQBAFGX-UHFFFAOYSA-N 365.477 4.318 5 40 FIBB CCCCn1c(-c2cccs2)nc2oc3ccccc3c(=O)c2c1=O 2440060 VTBSIQNIXSODLZ-UHFFFAOYSA-N 352.415 4.032 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NCc1ccccc1 9669051 KUUXYPXACJTKRZ-UHFFFAOYSA-N 373.372 4.319 5 40 FIBB Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 12519900 ZOHXGZYXYOYOCK-INIZCTEOSA-N 360.776 4.322 5 40 FIBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1c1nc2ccccc2s1 24383570 XOIVZIJEQVASTI-GFCCVEGCSA-N 357.391 4.165 5 40 FIBB CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)o1 97162889 USKKFBRZQBQDMA-KRWDZBQOSA-N 357.410 4.090 5 40 FIBB CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c1 4256365 FARDPLTYIZYBOS-UHFFFAOYSA-N 350.374 4.328 5 40 FIBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)c1 7141337 IDTMLKOMWUEGTC-UHFFFAOYSA-N 370.386 4.188 5 40 FIBB COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1 9549332 GBSABQFFQIHFOU-UHFFFAOYSA-N 358.375 4.079 5 40 FIBB Cc1ccc(C(=O)OCc2nc(-c3cccs3)oc2C)cc1[N+](=O)[O-] 11376272 XOTYCAIAMNRXNF-UHFFFAOYSA-N 358.375 4.285 5 40 FIBB Cc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408571031 MXHIQVBZTOOBIZ-KRWDZBQOSA-N 372.425 4.133 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CC1(Cl)Cl 2200910 GIBUAFIATYORPH-OAHLLOKOSA-N 351.189 4.049 5 40 FIBB O=[N+]([O-])c1ccc(/C=C2\CCC(C3=CCCC3)=C2N2CCOCC2)cc1 3180291 ZZHULVBSKSJBCJ-OBGWFSINSA-N 352.434 4.469 5 40 FIBB aggregator Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 217942645 ITKMQSUHPFDECO-INIZCTEOSA-N 354.406 4.244 5 40 FIBB C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 222901416 MPIHEWUFZHFLGX-XETPBLJFSA-N 350.418 4.364 5 40 FIBB Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1[N+](=O)[O-] 225132951 PXXVKZWYAUPHAM-UHFFFAOYSA-N 371.418 4.113 5 40 FIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)ccc1F 226862951 VBCNVWOHDOIZMF-UHFFFAOYSA-N 372.377 4.202 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1 1660125 DGNIPXYRMLXLQW-ZXTYOHMPSA-N 372.380 4.043 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccccc1F 7986525 WHTRRTVHRZCJPZ-UHFFFAOYSA-N 364.332 4.217 5 40 FIBB Cc1ccc(C)n1N(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1 8475534 AYNGYDCDEWAIER-UHFFFAOYSA-N 367.380 4.131 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1O 104080593 UUZJHVKXBIMAGM-UHFFFAOYSA-N 371.418 4.337 5 40 FIBB O=[N+]([O-])c1ccc(/C(=C\c2ccccc2)S(=O)(=O)c2ccccc2)o1 25539320 NWOABECMBHUHHH-GHRIWEEISA-N 355.371 4.160 5 40 FIBB COc1cc(C(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 2282659 GKMMTMBMMQBVJC-UHFFFAOYSA-N 356.161 4.150 5 40 FIBB biogenic O=c1c2ccccc2oc2nc(-c3ccccc3)n(-c3ccccc3)c(=O)c12 2342655 MENPJZUKMVJNSB-UHFFFAOYSA-N 366.376 4.159 5 40 FIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3515398 YZLRCCRSXMRVGF-JTQLQIEISA-N 354.284 4.020 5 40 FIBB Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)cc2c1 5014957 CFPRTOXXWUIFIM-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCCC2)cc1 10363496 NZLIMPBJNGGVQP-UHFFFAOYSA-N 353.422 4.141 5 40 FIBB CCC1(CC)C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 223180894 HMNYAXOIXYPGRV-QGZVFWFLSA-N 368.433 4.336 5 40 FIBB CCCCn1c(=O)nc2n(-c3cc(C)cc(C)c3)c3ccccc3cc-2c1=O 2124409 YYCHXSSDVCLPCB-UHFFFAOYSA-N 373.456 4.069 5 40 FIBB Cc1c(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)oc2ccccc12 8983720 IREZUSYRPBZTJD-UHFFFAOYSA-N 368.345 4.063 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 40060256 MGXVHTXEUQUIAO-UHFFFAOYSA-N 362.389 4.219 5 40 FIBB CC(C)Cc1ccc([C@H](C)NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 5994423 VGQMCHQUEOKYHS-AWEZNQCLSA-N 374.412 4.189 5 40 FIBB CSc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] 6852574 SAVYTBJVOPOCLF-UHFFFAOYSA-N 359.432 4.487 5 40 FIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCC2)cc1 10324353 SSPKGFSUEJHVRZ-UHFFFAOYSA-N 359.813 4.096 5 40 FIBB CC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1c(F)cccc1F 72302495 DTJJTQCMDMOHFS-XJKSGUPXSA-N 356.756 4.451 5 40 FIBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C1c2ccccc2Oc2ccccc21 991280 MFXUZVAFKDKHAA-UHFFFAOYSA-N 372.336 4.086 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3Cl)nc12 1518256 ZBQOUVMLWCQQRG-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8496364 GPYFJKNVUKRDSB-AWEZNQCLSA-N 352.749 4.183 5 40 FIBB COc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C=C2C 10157739 JGRABHGXCNLAQM-UHFFFAOYSA-N 352.390 4.446 5 40 FIBB CSc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 25325747 XZGKRGHAPQOWID-OAHLLOKOSA-N 360.410 4.433 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C 40070150 DEGBTHGMGDNMQA-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB Cc1ccc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 219856569 UFUVFRWGYILOAE-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB COc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1Cl 6441336 LWAYZUKSYUHELM-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB Cc1cccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCS2)c1 28527481 LCUKQDMHCDFBAX-UHFFFAOYSA-N 369.446 4.085 5 40 FIBB O=[N+]([O-])c1ccc2c(c1)CCN2Cc1ncc(-c2ccc(Cl)cc2)o1 32770279 FNTJHFDVQUTZEV-UHFFFAOYSA-N 355.781 4.466 5 40 FIBB O=C1CCCc2nc(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)ccc21 95997043 INUFDBQXZUBRAV-UHFFFAOYSA-N 374.400 4.183 5 40 FIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccccc1Cl 1051854 RBRIWJAJVCOVBV-VGOFMYFVSA-N 363.156 4.246 5 40 FIBB Cc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n(C[C@H]2CCCO2)c1C 20990237 KCKOYADQOAYSOL-RHSMWYFYSA-N 361.467 4.440 5 40 FIBB O=C(OCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1Cl 5483252 OPQJVTYOGBAGMC-UHFFFAOYSA-N 366.160 4.135 5 40 FIBB O=[N+]([O-])c1cccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)c1 12389302 FPZSJTDHAAYOFN-UHFFFAOYSA-N 367.752 4.145 5 40 FIBB O=c1c([N+](=O)[O-])c(Nc2ccc(-c3ccccc3)cc2)nc2ccccn12 43535472 MAMYJZRLWOTGJY-UHFFFAOYSA-N 358.357 4.013 5 40 FIBB CN(C)C1(CNc2nccc3c2c(=O)oc2ccccc23)CCCCC1 1776111842 SJCUFZPKQJRGIY-UHFFFAOYSA-N 351.450 4.018 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 1704541 WURZKJPCKRYJBQ-UHFFFAOYSA-N 366.236 4.473 5 40 FIBB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3602891 ARZHCIUZXQMDGN-VIFPVBQESA-N 355.177 4.308 5 40 FIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1Cl 5260284 MNTJRVCHRZTPMA-UHFFFAOYSA-N 362.794 4.202 5 40 FIBB CC1CCN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(F)cc3)c2)CC1 4499327 UVNXVKDOQICLIC-UHFFFAOYSA-N 373.428 4.461 5 40 FIBB C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc([N+](=O)[O-])c1 80054240 YDMSMLAUYPJDMV-DNVCBOLYSA-N 368.437 4.378 5 40 FIBB COc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2[N+](=O)[O-])cc1 666416 LHFNLYAVGBWPEB-UHFFFAOYSA-N 362.385 4.450 5 40 FIBB COc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1[N+](=O)[O-] 16227643 SYRZZWMNQWLYEZ-GZTJUZNOSA-N 374.352 4.101 5 40 FIBB CCN(CC)C(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100872927 UAOYQUYWIPUIET-AJHHTPGJSA-N 356.466 4.301 5 40 FIBB Cc1ccc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2c1 2622590 HFTHFNJGDSYMRO-UHFFFAOYSA-N 359.432 4.244 5 40 FIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1ccccc1 8115120 WBJPIFVESCVKIV-IBGZPJMESA-N 364.426 4.444 5 40 FIBB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 8904054 VSVAQANAMZINFK-UHFFFAOYSA-N 368.389 4.337 5 40 FIBB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 85411864 MTGZCPWTQDQEBC-MRXNPFEDSA-N 372.450 4.476 5 40 FIBB C/C=C1/C[N@@+]2(CCC)CC[C@]34C(=Nc5c(O)cccc53)C(=CO)[C@H]1C[C@@H]42 2047273335 BDPFMCBRYUSSOJ-FVJVCZOXSA-O 351.470 4.137 5 40 FIBB biogenic O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 828985 UMWNCZUJTHKQRP-UHFFFAOYSA-N 358.357 4.390 5 40 FIBB COc1ccccc1-c1nnc(SCc2cccc([N+](=O)[O-])c2C)o1 40127411 RMXQVXRRWGXQNB-UHFFFAOYSA-N 357.391 4.254 5 40 FIBB O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccccc1Br 101110440 GRYSMMSEFSAHFJ-GHRIWEEISA-N 361.151 4.042 5 40 FIBB O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)nc1 223990499 YBDNBMRBOYAPEH-UHFFFAOYSA-N 370.478 4.178 5 40 FIBB CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 225288854 FBXLXACLEBKPFX-OAHLLOKOSA-N 362.813 4.446 5 40 FIBB Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2ccccc2F)c1[N+](=O)[O-] 5053075 IUEGYJKXTRDVBW-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 5067351 XPDKBYXIHXVCHA-JZAZDWQXSA-N 369.248 4.389 5 40 FIBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc([N+](=O)[O-])cc1 10577760 DSTDISGLBIBTAX-UHFFFAOYSA-N 368.418 4.057 5 40 FIBB C[C@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 40155729 LEMMGXPLOBPUSQ-CYBMUJFWSA-N 373.840 4.412 5 40 FIBB O=C(Nc1ccc(F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 97165902 DEHIFMOJIXXLQQ-UHFFFAOYSA-N 368.314 4.351 5 40 FIBB O=C(OCc1ccccc1CN1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 1716176 AYAZXGLTNHUUJP-UHFFFAOYSA-N 374.824 4.201 5 40 FIBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3195086 JCWXSNFIMLMPSC-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB CC(=O)CCc1cc2c(cc1[N+](=O)[O-])CC[C@@H](C)N2C(=O)c1ccccc1 3844795 DYKXCHXTHNNZGD-CQSZACIVSA-N 366.417 4.098 5 40 FIBB biogenic Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1[N+](=O)[O-] 5559054 NHVCGXAQUBPWQO-UHFFFAOYSA-N 357.366 4.418 5 40 FIBB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 22525532 UXSFLNBKEPKTHN-MRXNPFEDSA-N 358.394 4.016 5 40 FIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 214137497 BLSKLYLKPYFYAA-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB O=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408849884 AGEZXDZIINWANE-UHFFFAOYSA-N 370.586 4.402 5 40 FIBB CCN(CC)C(=S)Oc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 1736430 LXWOYIHTOHAMLQ-UHFFFAOYSA-N 369.443 4.114 5 40 FIBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21 2245715 AWPMZRYLCRLAAG-UHFFFAOYSA-N 363.465 4.141 5 40 FIBB Cc1ccc(OCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 5033106 BYSIACOGGDRNRC-UHFFFAOYSA-N 352.346 4.328 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)CC1 32367855 QLFJEKAPQVFLQU-UHFFFAOYSA-N 356.447 4.093 5 40 FIBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(Cl)cc1 408571897 PUOLHFDYMJQKLM-INIZCTEOSA-N 374.853 4.339 5 40 FIBB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 12549906 QXSPSFRNOMJHAZ-HNNXBMFYSA-N 368.437 4.024 5 40 FIBB CC(C)(C)[C@@H](NCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 48340537 ZOMJOIZHCPDGDT-INIZCTEOSA-N 371.466 4.249 5 40 FIBB CCCc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 223434244 WWOGEXASFREAQL-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB COc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1OC 9910299 OSEKTZIJRDPEEJ-UHFFFAOYSA-N 359.385 4.053 5 40 FIBB Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCCCC2)cc1 10254522 HTVWUOQQANIAGF-UHFFFAOYSA-N 367.405 4.156 5 40 FIBB O=C(Nc1cccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2oc1=O 841647 IZAUNZNDPLJRMK-UHFFFAOYSA-N 360.325 4.107 5 40 FIBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 994469 ODEGESJMQSFFDF-UHFFFAOYSA-N 358.825 4.343 5 40 FIBB Cc1cccc2c1[nH]c1c3[nH]c4c(C)cccc4c3c3c(c21)C(=O)NC3=O 6523167 DYJPDRYQOSBRFK-UHFFFAOYSA-N 353.381 4.456 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20110359 FNPHYNSDAOAJAX-UHFFFAOYSA-N 367.449 4.387 5 40 FIBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-c1ccccc1 3190387 CPIQQXDAHYCSNQ-UHFFFAOYSA-N 354.387 4.063 5 40 FIBB C/C(=C/c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)cc1)[N+](=O)[O-] 3850480 NBHFWRNCEIAFNZ-FLIBITNWSA-N 372.768 4.284 5 40 FIBB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1[N+](=O)[O-] 7783587 IEHDWAYCZKCFKV-UHFFFAOYSA-N 359.140 4.058 5 40 FIBB C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12540212 MVDOMDNEZVNSQA-LPHOPBHVSA-N 362.473 4.192 5 40 FIBB Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 17248295 KVCBQTTUGPKLTJ-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc2cccc([N+](=O)[O-])c2[nH]1 58370992 LEYFTVKSIHMQLE-UHFFFAOYSA-N 374.328 4.216 5 40 FIBB Cc1c(C(=O)NCCCc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] 13647371 NWENSESMVKSQCY-UHFFFAOYSA-N 356.422 4.053 5 40 FIBB O=C(OCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1[N+](=O)[O-] 25455840 JPBWGMBAEJIQBA-UHFFFAOYSA-N 364.766 4.322 5 40 FIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1 39772682 DISSQSQVJQJSOF-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB Cc1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226071588 AYHNPFDGIWBQFV-HXUWFJFHSA-N 356.530 4.309 5 40 FIBB Cc1cc(Cl)c(C(C)C)cc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-] 24058381 ZBCOTNSYSKEVHB-UHFFFAOYSA-N 373.796 4.480 5 40 FIBB CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 409053167 LRTAUGKDFACVFU-UHFFFAOYSA-N 357.366 4.483 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cccs1 5772906 BNIVGMYIALYWBP-UHFFFAOYSA-N 352.371 4.140 5 40 FIBB COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCCC[C@H]12 8165902 JRFRVBQBBVLNTO-UPRAQXHNSA-N 358.369 4.377 5 40 FIBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1 8471188 ABYKLLPGCSCJHP-VJOPYQGCSA-N 372.380 4.043 5 40 FIBB CC(C)c1ncc([N+](=O)[O-])n1C(=S)Nc1ccc(Cl)cc1Cl 16576030 NCBDBFISRWBTOI-UHFFFAOYSA-N 359.238 4.467 5 40 FIBB CC(C)C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4267860 FLWWKBNMVMXDPT-UHFFFAOYSA-N 367.361 4.188 5 40 FIBB O=C(OCc1cc(F)cc2cccnc12)c1cc2cc([N+](=O)[O-])ccc2[nH]1 62410325 ISJDVBMKKGVICZ-UHFFFAOYSA-N 365.320 4.120 5 40 FIBB O=[N+]([O-])c1ccc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 65540392 AKIKXIYJPWDIBM-GOSISDBHSA-N 366.396 4.468 5 40 FIBB COc1ccc([N+](=O)[O-])cc1[C@@H]1NN=C(c2cccc3ccccc23)S1 2500700 FIMZPIPHFUPFON-LJQANCHMSA-N 365.414 4.453 5 40 FIBB COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)c([N+](=O)[O-])c1 4056811 ZLGXFWAMPCISMC-UHFFFAOYSA-N 358.394 4.018 5 40 FIBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Cl)cc1F 4089070 BDWIWGNXJATLQG-UHFFFAOYSA-N 351.764 4.297 5 40 FIBB CCCc1nc2oc3cc(OC)ccc3c(=O)c2c2nc3ccccc3n12 5209172 GFKVSOIKNHEAFO-UHFFFAOYSA-N 359.385 4.103 5 40 FIBB Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] 33428935 GZJRCXBPEPJTON-UHFFFAOYSA-N 367.317 4.324 5 40 FIBB O=Cc1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 408602693 DFZCAIREUBKUCD-UHFFFAOYSA-N 361.766 4.262 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(C(F)(F)F)c1 3414121 BZDAXRVMSZETHC-UHFFFAOYSA-N 370.352 4.022 5 40 FIBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 4610634 YPZQJWRRHQPPSV-NTCAYCPXSA-N 369.380 4.464 5 40 FIBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 13943528 OIAYJMNVUMQETC-UHFFFAOYSA-N 357.369 4.269 5 40 FIBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 20140853 LVQKWPTYHKTIGU-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CC(C)([C@@H](OC(=O)C1=CCCC1)c1ccc(Br)cc1)[N+](=O)[O-] 96013372 HIOCKHKHYUJXQB-AWEZNQCLSA-N 368.227 4.199 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 217889185 QDSNJFYYUCVVTQ-XSFOEPMVSA-N 366.417 4.335 5 40 FIBB Cc1cc(C)c2c(N)c(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)sc2n1 878215 OMQLVKZPCMFYFC-UHFFFAOYSA-N 367.390 4.121 5 40 FIBB NC(=O)[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)c1ccccc1 14712469 RWOBRZAZJKBMHC-NRFANRHFSA-N 355.393 4.376 5 40 FIBB Cc1nc2cc(Cl)ccc2cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 32796877 HCGHNDKUHPIDHO-UHFFFAOYSA-N 359.744 4.496 5 40 FIBB O=C(CCCNc1ccccc1[N+](=O)[O-])OCc1cccc2cccnc12 32865441 DWKSFLUISTZLSS-UHFFFAOYSA-N 365.389 4.079 5 40 FIBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Cl 3316676 FHPNMSAGZABPKK-UHFFFAOYSA-N 370.586 4.368 5 40 FIBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCc2ccccc21 3326414 OHAPQJYOCRSBJA-LBPRGKRZSA-N 359.813 4.028 5 40 FIBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3OC)o2)c([N+](=O)[O-])c1 5034501 RVGYVMMLILDKDZ-UHFFFAOYSA-N 368.345 4.124 5 40 FIBB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7619284 UNBPECGHLHIVKS-LBPRGKRZSA-N 359.813 4.028 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)cc1C 9242441 CQIFTDBNKLXZAQ-UHFFFAOYSA-N 368.372 4.210 5 40 FIBB O=C(Nc1ccnn1C1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9498652 HYJUFSYFGKIOPL-UHFFFAOYSA-N 366.377 4.419 5 40 FIBB CCOc1ccc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 14654405 VRVRLHVZHSOWQQ-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1NC1CCCCC1 20897866 OVWXDOLKVRFKFV-UHFFFAOYSA-N 365.393 4.451 5 40 FIBB Cc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 24256079 PKDQFPICJXTVPJ-QFIPXVFZSA-N 360.413 4.352 5 40 FIBB CCN(CC)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 38187930 JCRFKWCPPYZBMI-UHFFFAOYSA-N 350.447 4.270 5 40 FIBB COc1ccccc1OCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 40130883 DXCGCAOKSJJJEO-UHFFFAOYSA-N 368.345 4.028 5 40 FIBB Cc1ccccc1-c1noc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1 53398197 OJOVXDGYCTXPLD-UHFFFAOYSA-N 372.812 4.239 5 40 FIBB CCCCn1c(C2CCCCC2)nc2oc3ccccc3c(=O)c2c1=O 2221944 LEGQOEDHGXRAFN-UHFFFAOYSA-N 352.434 4.351 5 40 FIBB O=[N+]([O-])c1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc([N+](=O)[O-])c1 4473197 FFNUNXSIDBZWLJ-UHFFFAOYSA-N 370.365 4.021 5 40 FIBB Cc1ccc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 4496436 XZGVPQCJIYGQRL-UHFFFAOYSA-N 359.432 4.244 5 40 FIBB Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 5257050 ISTLIQBMVXPUCJ-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB CN(CCCCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cn1 40149284 WFDOZHMESXCOTH-UHFFFAOYSA-N 365.437 4.229 5 40 FIBB CC1(C)C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 217894319 BGANJKFILKYHQI-KQPPXVQYSA-N 352.390 4.027 5 40 FIBB Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)cc1[N+](=O)[O-] 1445083 PJUJROORQZLYNK-WOJGMQOQSA-N 358.353 4.401 5 40 FIBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(C)(C)C)c1 4712984 YEMIAZJHHPTMIV-UHFFFAOYSA-N 358.350 4.328 5 40 FIBB O=C(COc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 5739933 UTCDOHNEWXGTOC-UHFFFAOYSA-N 356.765 4.419 5 40 FIBB CC(C)C[C@@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12545044 QDOWFFFZXYKIPG-MRXNPFEDSA-N 350.462 4.048 5 40 FIBB COc1cc(OCC(=O)Nc2c(C)cccc2C(C)C)ccc1[N+](=O)[O-] 66013939 GWKZFELIAKOVTK-UHFFFAOYSA-N 358.394 4.053 5 40 FIBB Cc1cc(C)c(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c(Cl)c1 72228857 ZFBSAVJABIASQL-UHFFFAOYSA-N 362.813 4.499 5 40 FIBB Cc1c(C(=O)Nc2nc(COc3ccccc3)cs2)cccc1[N+](=O)[O-] 3215857 YRBKYESOCNFLSE-UHFFFAOYSA-N 369.402 4.191 5 40 FIBB NC(=O)c1ccc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 8054758 QFDBCHFXQJAUGH-UHFFFAOYSA-N 363.373 4.016 5 40 FIBB Cc1cccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1[N+](=O)[O-] 25049986 LLLUTFRLBDCKIE-UHFFFAOYSA-N 368.433 4.094 5 40 FIBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C)ccc4o3)sc2c1 57352595 OCMUJRLBBDLGAR-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1cccc([N+](=O)[O-])c1 956540 AFCUWDZYOJEULX-UHFFFAOYSA-N 355.325 4.202 5 40 FIBB Cc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)c([N+](=O)[O-])n1 3444571 GVRLWOTVBNXXKJ-UHFFFAOYSA-N 359.345 4.096 5 40 FIBB CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc([N+](=O)[O-])c1 4691354 XCHCODVIQZJJEB-FQEVSTJZSA-N 363.417 4.472 5 40 FIBB COc1cc2nc3c4cc(Br)ccc4n(C)c3nc2cc1OC 5014101 MAJYVCHIDLXJHY-UHFFFAOYSA-N 372.222 4.054 5 40 FIBB Cc1ccc(C)c(N2C(=N)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 6189854 XJIGARDHSCLXPP-FPJCIRPISA-N 353.403 4.267 5 40 FIBB Cc1noc(C)c1CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 8923858 KLERQFMWFIMOHB-UHFFFAOYSA-N 351.362 4.047 5 40 FIBB CN(Cc1ccccc1N1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 24236771 HZFLIPNOJREPTG-UHFFFAOYSA-N 368.437 4.249 5 40 FIBB Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 8289417 VNASRESHGPROSH-UHFFFAOYSA-N 373.840 4.412 5 40 FIBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 5869424 HKEJZOBITOYVMP-VIFPVBQESA-N 355.177 4.308 5 40 FIBB O=[N+]([O-])c1ccc(C2=NO[C@@H]3[C@@H]2C3(c2ccccc2)c2ccccc2)cc1 100669672 OYSKUIOHXZPLOM-TZIWHRDSSA-N 356.381 4.314 5 40 FIBB COc1nc2c(C)cccc2cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 21596544 LHGSXNYDVFIQKZ-UHFFFAOYSA-N 362.345 4.177 5 40 FIBB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccc([N+](=O)[O-])o1 32903937 UXCOGUDECLIVCZ-QMRWYURESA-N 374.396 4.215 5 40 FIBB CCOc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 12567983 WCVDJMXSWWNICO-UHFFFAOYSA-N 357.391 4.336 5 40 FIBB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cn3ccc([N+](=O)[O-])n3)n2)cc1 17076431 BWUGOQCQUWFGFS-UHFFFAOYSA-N 373.416 4.444 5 40 FIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(F)cc3)o2)cc1 7365264 WTQRFNXQIWJMBS-UHFFFAOYSA-N 355.369 4.196 5 40 FIBB CN(CCOc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 16173602 KJVCRHLMHPLVTE-UHFFFAOYSA-N 374.393 4.100 5 40 FIBB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 38756420 URKLLWXNNFRBNB-QGZVFWFLSA-N 358.394 4.016 5 40 FIBB CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 68711621 HGMRZGLYVZNEMA-DZGCQCFKSA-N 364.442 4.091 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1 15410537 SCPRIUMMPBHWJH-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB CC[C@H](C)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 2959639 WPXJPLGGTGRLSY-ZDUSSCGKSA-N 364.474 4.043 5 40 FIBB COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3511086 WHGHRPZDKRHDBB-UHFFFAOYSA-N 360.365 4.312 5 40 FIBB CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br 408604099 DJAHISUCHSXCMP-UHFFFAOYSA-N 351.200 4.368 5 40 FIBB O=C(Nc1ccccc1Br)c1coc2ccc([N+](=O)[O-])cc12 408968521 ZZZPXNMBRXEOPE-UHFFFAOYSA-N 361.151 4.356 5 40 FIBB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 862162 KBASUEWLZFENEP-UHFFFAOYSA-N 360.826 4.336 5 40 FIBB Cc1nc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1Cl 10372847 FAHHAVHLSCQCJY-UHFFFAOYSA-N 359.813 4.402 5 40 FIBB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 44844565 JKVSTJCRGVOQMM-HNNXBMFYSA-N 364.785 4.053 5 40 FIBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 3904227 FNIJMKYEFVYRFG-INIZCTEOSA-N 356.425 4.032 5 40 FIBB O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccccc3)o2)cc1 48365200 BJQMTNAARUZLJC-UHFFFAOYSA-N 357.391 4.206 5 40 FIBB CC(C)COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3897611 WRVNEUNPYOSYIJ-UHFFFAOYSA-N 359.338 4.059 5 40 FIBB CC(C)(C)c1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 4588299 LZPIUEDVUZPKQL-ATVHPVEESA-N 350.374 4.237 5 40 FIBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccco1)n1c3ccccc3nc21 5323205 OBKTUQYULXOGHL-UHFFFAOYSA-N 366.380 4.148 5 40 FIBB COCc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 58158415 CLHNCDPZYLQTPL-UHFFFAOYSA-N 369.402 4.117 5 40 FIBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 9141924 GIIKWJJLVJHDQR-UHFFFAOYSA-N 361.785 4.157 5 40 FIBB O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2ccccc2)cc1 225125908 GIBKIKXHINOIKA-HXUWFJFHSA-N 363.369 4.337 5 40 FIBB CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 7549301 RAYWGKPIAAONPN-UHFFFAOYSA-N 368.842 4.046 5 40 FIBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 20529085 CKEKFQJBJNLUHW-UHFFFAOYSA-N 373.365 4.061 5 40 FIBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1 4551189 WEPARSKJAHKQSJ-UHFFFAOYSA-N 353.290 4.015 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38853879 KTVRVSGAOZHGJH-HNNXBMFYSA-N 373.840 4.099 5 40 FIBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2oc3ccccc3c2c1 4314706 VHQVYGNCAXCABJ-UHFFFAOYSA-N 358.309 4.295 5 40 FIBB Cc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cccc1[N+](=O)[O-] 23534450 ICEXGSGHDLMPQQ-UHFFFAOYSA-N 365.389 4.064 5 40 FIBB Cc1ccccc1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1 57800882 ZUIHVCJCYVEAPB-LJQANCHMSA-N 353.422 4.069 5 40 FIBB O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c[nH]c2ccccc12 58356788 CLRYLJPNWCVKOM-UHFFFAOYSA-N 364.279 4.357 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc2n1CCCCC2 71814394 MYPSVYRNEMFCQV-UHFFFAOYSA-N 358.345 4.083 5 40 FIBB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 836644 HFFARIVKYHMCLJ-SFQUDFHCSA-N 360.325 4.199 5 40 FIBB O=C1C2=C(CCCC2)[C@@H](Nc2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 9553822 QKHBMQTZMYYXRM-FQEVSTJZSA-N 363.417 4.246 5 40 FIBB Cc1cccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1[N+](=O)[O-] 10321599 JOUNHALZJZDSHO-UHFFFAOYSA-N 372.384 4.470 5 40 FIBB CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1 10542969 OYVUMACCXCKHFA-OAHLLOKOSA-N 360.797 4.280 5 40 FIBB Cc1ccc([C@H]2OCCC[C@@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 72307309 WVFYLLSWJMGUFZ-FUHWJXTLSA-N 357.366 4.144 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2c3sc(O)nc3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 299884581 UBNTWWIYDHXBIH-IKOPJOCTSA-N 360.460 4.409 5 40 FIBB O=C(Oc1c([N+](=O)[O-])cc(-c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 1621485 DQOCTWYFFVSAOT-UHFFFAOYSA-N 364.313 4.389 5 40 FIBB Cc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 4072283 ZYJQTKOUUQBLHF-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB Cc1cccc(N2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)c1 4193174 SXLTWBRODQBWCV-LWLIDHTLSA-N 369.446 4.084 5 40 FIBB Cc1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)c1 12521522 UUNFKLCOHKJZSK-UHFFFAOYSA-N 372.424 4.316 5 40 FIBB CCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 32787334 PPGLLTLDQCKFCW-UHFFFAOYSA-N 363.826 4.453 5 40 FIBB O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4ccccc34)CC2)c(F)c1 84598444 ZICPTYGDXJBKST-UHFFFAOYSA-N 365.408 4.209 5 40 FIBB C[C@@H]1C[C@@H](C)C[N+](C)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 226702639 WQLBOYUQYLFYDC-WOIUINJBSA-N 354.514 4.216 5 40 FIBB CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 408568039 RRNOPYKARMFVFC-WUXMJOGZSA-N 370.405 4.434 5 40 FIBB Cc1nc2ccc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)sc3c2s1 4031614 LEWHFWJCRXQHGC-UHFFFAOYSA-N 370.415 4.375 5 40 FIBB O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccc(F)cc1 4865000 FSXVMDUSXASSHV-UHFFFAOYSA-N 356.360 4.427 5 40 FIBB O=[N+]([O-])c1c(Br)sc(NCc2cccs2)c1[N+](=O)[O-] 5263620 UNTNZFAAALFRJE-UHFFFAOYSA-N 364.202 4.001 5 40 FIBB Cc1ccccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 6207774 LXLUBPKHGJOCSG-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB Cc1ccccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6551395 CJVJKIFXYPVXIF-UHFFFAOYSA-N 369.402 4.044 5 40 FIBB CCOc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 25169754 HVSKLLUAKAISIX-CQSZACIVSA-N 374.462 4.133 5 40 FIBB COc1ccc2oc(Nc3nc4c([N+](=O)[O-])cc(OC)cc4s3)nc2c1 57352601 RLFBSDLNHGZVIG-UHFFFAOYSA-N 372.362 4.107 5 40 FIBB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214983894 CYEAEGJUWUQRDS-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB CCOc1ccc2ccccc2c1CNCCNc1ccc([N+](=O)[O-])cc1 6870577 JDNSDIFAKCSZTJ-UHFFFAOYSA-N 365.433 4.348 5 40 FIBB Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4ccccc4)cc3oc12 4086547 YADKBBDSWLQPFD-UHFFFAOYSA-N 360.365 4.222 5 40 FIBB biogenic CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 408810203 ILJDGMLXHNFYIL-QPEQYQDCSA-N 364.766 4.174 5 40 FIBB O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 609851575 BUPLIKLLXZFXOT-UHFFFAOYSA-N 353.382 4.099 5 40 FIBB COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c2ccccc12 4078810 CIIQXPBHFVKRBE-UXBLZVDNSA-N 354.387 4.470 5 40 FIBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1F 858948 ZUNKCYJYKXANMR-UHFFFAOYSA-N 363.395 4.074 5 40 FIBB O=[N+]([O-])c1cccc(-c2n(O)c3c4ccccc4c4ccccc4c3[n+]2[O-])c1 6243947 MMXDOQQWCZGFGZ-UHFFFAOYSA-N 371.352 4.394 5 40 FIBB COc1ccc(Nc2ncnc3[nH]c(-c4cccc([N+](=O)[O-])c4)cc23)cc1 11906994 WZQPPTFKRSIFIE-UHFFFAOYSA-N 361.361 4.285 5 40 FIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1Cl 3441578 VDCSQRMZQNPUKK-MRVPVSSYSA-N 373.167 4.447 5 40 FIBB CCCc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1787235 BTBUWIVPXZBFBQ-UHFFFAOYSA-N 372.421 4.354 5 40 FIBB CCCCCCN(CCCCCC)C(=O)c1c([N+](=O)[O-])cnn1CC 6398173 ZEMLTYCZUODFHD-UHFFFAOYSA-N 352.479 4.414 5 40 FIBB CC1CCN(c2ccc(C(=O)Nc3cccnc3Cl)cc2[N+](=O)[O-])CC1 57313590 ASPYBNQBUNJSRL-UHFFFAOYSA-N 374.828 4.132 5 40 FIBB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906599 IDDOQKQYVLGYMS-OYYQEPIJSA-N 362.429 4.440 5 40 FIBB CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 1510136 NBCAYEKHCBMRCF-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB Cc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 4361186 KTXBMLBDEPRORG-UHFFFAOYSA-N 355.177 4.228 5 40 FIBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 6241295 CYOABZCVFMCSJJ-UHFFFAOYSA-N 369.428 4.002 5 40 FIBB O=C(NCCCn1ccc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 12555724 TWJHWPPGASZZTH-UHFFFAOYSA-N 357.797 4.023 5 40 FIBB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214993045 LUVCXEUVKLMVNZ-CGVLLOTDSA-N 366.398 4.388 5 40 FIBB CNc1ccc(/C=C(\Cl)c2nc(O)c3cccc(C)c3n2)cc1[N+](=O)[O-] 26765014 KKAVZKDTRAVQDW-JYRVWZFOSA-N 370.796 4.331 5 40 FIBB Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cs1 53933514 UDOYUXMIXKFKAK-UHFFFAOYSA-N 369.402 4.082 5 40 FIBB COc1cc(OC)cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 72229484 YULSKLSFDFAEFC-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB Cc1csc(Sc2ccc(C(=O)Nc3ccccn3)cc2[N+](=O)[O-])n1 9747158 HBXXOTNRVJELEO-UHFFFAOYSA-N 372.431 4.158 5 40 FIBB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14399384 AMARTSAHLBGCEH-MRXNPFEDSA-N 364.785 4.053 5 40 FIBB Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1[N+](=O)[O-] 17747756 KTAILIKMXXCUMD-UHFFFAOYSA-N 355.419 4.137 5 40 FIBB Cc1cccc(N2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@H]3C)c1 229974534 SXLTWBRODQBWCV-WILYLXEWSA-N 369.446 4.084 5 40 FIBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1 5034491 ZYCHQLZCTBIGLL-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB O=C(NCCSCc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 10280104 LTYPOPWQMNEFEA-UHFFFAOYSA-N 368.817 4.051 5 40 FIBB Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccs2)cccc1[N+](=O)[O-] 26231541 VOYKQRSFHICTSU-MRXNPFEDSA-N 359.451 4.130 5 40 FIBB Cc1cc(F)c2c(c1)CCCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 58168575 WUXHIERUJORIJK-UHFFFAOYSA-N 353.353 4.117 5 40 FIBB CCn1c(CCNc2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 65228871 SLYQJBSREUPYNA-UHFFFAOYSA-N 361.405 4.167 5 40 FIBB Cc1ccc([C@H](C)OC(=O)c2csc(-c3ccccn3)n2)cc1[N+](=O)[O-] 97227504 ZZXJOHRIKNQFOW-LBPRGKRZSA-N 369.402 4.340 5 40 FIBB CC(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 4070020 YLBISFXKTSLKEF-UHFFFAOYSA-N 367.386 4.173 5 40 FIBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 96997928 VRFUTMBPCFIBBJ-SNVBAGLBSA-N 364.199 4.240 5 40 FIBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)cc([N+](=O)[O-])c1C 408813117 ODLFECMYNIWXOX-NVNXTCNLSA-N 358.375 4.138 5 40 FIBB CCCCCC[C@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NCC 5047567 YGBMPQIQWQZPLI-YJBOKZPZSA-N 350.459 4.336 5 40 FIBB O=c1nc2n(-c3ccc(C4CCCCC4)cc3)c3ccccc3cc-2c(=O)[nH]1 5387717 BYABNLOAYSFCIQ-UHFFFAOYSA-N 371.440 4.227 5 40 FIBB Cc1cc(C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 9064344 MFCZGXYWULHUJM-UHFFFAOYSA-N 353.422 4.373 5 40 FIBB COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nccn1C 12551328 MESBMSDWHNALCB-QGZVFWFLSA-N 372.812 4.192 5 40 FIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nc2ccccc21 15410180 DXBHYBGOEKTTKY-UHFFFAOYSA-N 370.434 4.004 5 40 FIBB Nc1nc(N)c(-c2ccc(Cl)cc2)c(/C=C\c2ccc([N+](=O)[O-])cc2)n1 17418887 VOCVPDMLBGGHDW-KMKOMSMNSA-N 367.796 4.040 5 40 FIBB Cc1ccccc1CSCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 408563738 OXXFPBZKYNZSHU-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl 3515085 ILFNNKJBULIKOL-SECBINFHSA-N 355.177 4.308 5 40 FIBB CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 4849224 FFXSMIZOYRQCDO-UHFFFAOYSA-N 367.430 4.436 5 40 FIBB COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)cc1 40122848 DBXMWHNDKJNFKT-UHFFFAOYSA-N 357.391 4.254 5 40 FIBB CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 48363522 NJTXOKKXFCKXES-UHFFFAOYSA-N 374.422 4.027 5 40 FIBB Cc1c(C(=O)Nc2cccc(Cl)c2N2CCCC2)cccc1[N+](=O)[O-] 6265994 FDMNHVYZGZRSHS-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB Nc1nc(Nc2ccccc2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5065278 YUQMOJACZJLRON-UHFFFAOYSA-N 356.773 4.108 5 40 FIBB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 5756670 QPTFHWFQZBOXKD-UHFFFAOYSA-N 370.217 4.028 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1cccc(Br)c1 1781876 PGJSLYAXPCYGCK-BQYQJAHWSA-N 362.179 4.114 5 40 FIBB Cc1cc(=O)oc2cc(OCc3c(F)cccc3Cl)c([N+](=O)[O-])cc12 1789753 YKXLRYURWGTDPJ-UHFFFAOYSA-N 363.728 4.381 5 40 FIBB CCCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3049708 SCIUBFGBDLBJFG-UHFFFAOYSA-N 373.365 4.324 5 40 FIBB Cc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 4748141 YTMQTNNYLMRBJN-UHFFFAOYSA-N 357.320 4.459 5 40 FIBB CC(C)CSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 223616097 ASAOQIQAIGAJLH-UHFFFAOYSA-N 372.859 4.100 5 40 FIBB CCCNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976257 QAXJSHHRUZXQNG-UHFFFAOYSA-N 367.412 4.019 5 40 FIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)CC)c(C)nc21 2426194 PFELZZVCGUPGSF-ZDUSSCGKSA-N 363.465 4.374 5 40 FIBB O=[N+]([O-])c1ccc(NCCNc2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c1 4460081 ZDLWUDIHCYWCLM-UHFFFAOYSA-N 371.180 4.334 5 40 FIBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c2ccccc2cc2ccccc12 5247328 LFXWUOHCVXGABP-FQEVSTJZSA-N 360.413 4.184 5 40 FIBB CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 5406301 SCIXJAKCWDSJAH-UHFFFAOYSA-N 361.810 4.130 5 40 FIBB O=C(Nc1cccc(O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 59383314 ZODDJAPFHVRMNA-UHFFFAOYSA-N 350.330 4.345 5 40 FIBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 6243154 VNOPIUWYHZWGGL-GFCCVEGCSA-N 357.435 4.235 5 40 FIBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccc(Br)o3)n2)ccc1Cl 40169677 DAGLTAKYVCOELV-UHFFFAOYSA-N 369.562 4.056 5 40 FIBB C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 40112164 OGPXHDWQZQQBJQ-SNVBAGLBSA-N 353.205 4.263 5 40 FIBB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409019375 RLJXQLBYKUJIIF-DHDCSXOGSA-N 358.375 4.300 5 40 FIBB O=C(Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1[N+](=O)[O-] 1615455 QGOWMBGAJZTBQG-UHFFFAOYSA-N 373.104 4.388 5 40 FIBB C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2 100502396 WYWQCKGEIUFJRD-PMACEKPBSA-N 350.482 4.132 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 217889114 QDSNJFYYUCVVTQ-LNENJAERSA-N 366.417 4.335 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1Cc1ccccc1 58165962 AAHVZQVAQSIOMX-HYSAVQALSA-N 350.418 4.232 5 40 FIBB CCOc1ccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1[N+](=O)[O-] 25161080 UDNPPEFGPDPVSG-LJQANCHMSA-N 354.406 4.183 5 40 FIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(Cl)nc1 3511682 DMFMUJUSGIZAMI-UHFFFAOYSA-N 365.772 4.352 5 40 FIBB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4508211 HIGHZBQDJRVGJU-UHFFFAOYSA-N 370.148 4.371 5 40 FIBB CC(C)Cc1ccc([C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 40158410 CAKRYRQHLJJLCG-HXUWFJFHSA-N 365.433 4.390 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(C)cc1Cl 3342738 IKPUMSRFZLUDQZ-LLVKDONJSA-N 363.801 4.004 5 40 FIBB CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13674646 NHPVYRLBDRPMTE-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cn2cc([N+](=O)[O-])cn2)n1 17076430 JZVLCFQJCDIJLE-UHFFFAOYSA-N 373.416 4.444 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 65918079 UYZZYKKOHUSXCW-UHFFFAOYSA-N 367.380 4.235 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C 217876629 KGOKARYHWMRIFT-MRXNPFEDSA-N 354.406 4.244 5 40 FIBB C[C@H]1CCCCN1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1 6494949 CKQUGTLMDCGMRA-INIZCTEOSA-N 368.433 4.326 5 40 FIBB COc1nc2cc(C)ccc2cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 21595118 RZKJNHILHGEBDZ-UHFFFAOYSA-N 362.345 4.177 5 40 FIBB O=C(N1CCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 1452412 JWTJKNKSBQHUGB-XBLGPDGASA-N 354.450 4.055 5 40 FIBB O=C(O)Cc1ccc(Nc2c(C(=O)O)cnc3c2ccc2ccccc23)cc1 5009313 XJNVKXLONIHLKA-UHFFFAOYSA-N 372.380 4.457 5 40 FIBB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 41091612 UDMDWYUKLRIPRB-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3c3ccsc3)n2)cc1 48355398 CTUGVHJATGNOQP-HNNXBMFYSA-N 356.407 4.043 5 40 FIBB O=C(c1ccccc1)c1ccc(SCCCCCCO)c([N+](=O)[O-])c1 6344056 AIFLWFVLGQPSTC-UHFFFAOYSA-N 359.447 4.471 5 40 FIBB CCC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 12873567 UMPNCPVINNTLKG-UHFFFAOYSA-N 353.378 4.083 5 40 FIBB Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] 13647267 ICILPDRWSYGXGQ-UHFFFAOYSA-N 356.422 4.053 5 40 FIBB Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] 13671797 OITHZKIHFTTWDQ-UHFFFAOYSA-N 356.422 4.053 5 40 FIBB O=C(NCc1csc(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] 25314239 QHGVFWHLGDYIDN-UHFFFAOYSA-N 354.391 4.040 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225659554 POTDVIIMZWYZHX-UHFFFAOYSA-N 358.394 4.296 5 40 FIBB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9141863 NIKMDGKFWHWFBG-UHFFFAOYSA-N 361.785 4.095 5 40 FIBB Cc1cc([C@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)on1 47287613 NYFOIMKSZBBEBU-CYBMUJFWSA-N 357.391 4.083 5 40 FIBB Cc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 224116328 WUTVFZWSFRWEOG-UHFFFAOYSA-N 369.204 4.019 5 40 FIBB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc([N+](=O)[O-])o1 2723876 SNONQIWUVOYFQP-UHFFFAOYSA-N 358.162 4.357 5 40 FIBB CCN(CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 6949736 XHZKLIQBRADMFL-UHFFFAOYSA-N 361.829 4.342 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NC1CCCCC1 20894435 FHAVDZFHLGFNLB-UHFFFAOYSA-N 365.393 4.451 5 40 FIBB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(C)C 223272315 RMRAJMRTDAXGSA-OAHLLOKOSA-N 370.449 4.455 5 40 FIBB COc1cc2c(c([N+](=O)[O-])c1)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C 825617 XNKRDFHPVAZCQX-FQEVSTJZSA-N 352.390 4.133 5 40 FIBB CCOc1ccccc1C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 4108168 FRLYGFXMMYDYNO-UHFFFAOYSA-N 374.396 4.301 5 40 FIBB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1Cl 5441693 ZELFTPAMKMIUCJ-UHFFFAOYSA-N 373.796 4.017 5 40 FIBB CC(C)OC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 5727320 RGHSJMQMHLNVEO-UHFFFAOYSA-N 362.769 4.066 5 40 FIBB Cc1cccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 8587110 HOFPZQDIZLFRJB-UHFFFAOYSA-N 350.378 4.220 5 40 FIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2ccccc2cc1O 10899404 ZSWYXNBJLISTNZ-UHFFFAOYSA-N 370.792 4.379 5 40 FIBB C[C@H]1CCCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 46934297 DSTGFHCJPITZCO-INIZCTEOSA-N 367.449 4.008 5 40 FIBB Cc1c(CSc2nncn2[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 53841005 WUIYWNXNJNCHMW-CQSZACIVSA-N 354.435 4.396 5 40 FIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2ccccc21 4484385 KQHTURLYWBXNGS-UHFFFAOYSA-N 370.434 4.004 5 40 FIBB O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1 8040536 MBVLAEKJICEHIH-UHFFFAOYSA-N 370.368 4.457 5 40 FIBB Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 9613560 FTFXZQQLPRVCHT-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 32900417 ORYCGXUZMWVVKU-UHFFFAOYSA-N 370.434 4.060 5 40 FIBB O=c1oc2cc(O)c([N+](=O)[O-])cc2cc1-c1nc(-c2ccccc2)cs1 39383889 GBJCLYYQUHPLIC-UHFFFAOYSA-N 366.354 4.197 5 40 FIBB O=C(Nc1ccc(Cl)cc1)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC1 57388503 VKRIZZKYOXPAMH-QGZVFWFLSA-N 359.813 4.024 5 40 FIBB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224767116 PODLAUCGTHRGJL-UHFFFAOYSA-N 362.451 4.242 5 40 FIBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 805459 FDNAROPSGOCCKP-UHFFFAOYSA-N 370.386 4.188 5 40 FIBB O=[N+]([O-])c1ccccc1N1CCN(Cc2csc3ccccc23)CC1 28620161 ROOSQVIDLMUHMM-UHFFFAOYSA-N 353.447 4.132 5 40 FIBB CCC(CC)c1nnc(NC(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)s1 40140599 HSHSOOHWWDHEBM-UHFFFAOYSA-N 352.391 4.050 5 40 FIBB O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 1685122 PUPWPEXCWFZVJW-UHFFFAOYSA-N 358.195 4.338 5 40 FIBB CCN(C(C)=O)c1nc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cs1 9050355 AFLRRVBEDVCWIH-BQYQJAHWSA-N 368.418 4.143 5 40 FIBB Cc1noc(/C=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1[N+](=O)[O-] 408541890 GKFIVIORVOMHEX-XBXARRHUSA-N 368.305 4.157 5 40 FIBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 5466523 JICGGUNGLLOKSB-UHFFFAOYSA-N 364.785 4.298 5 40 FIBB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1cccc([N+](=O)[O-])c1 5498213 MEXPPBUYIKZFJS-UHFFFAOYSA-N 361.357 4.247 5 40 FIBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1[N+](=O)[O-] 5525432 IHLFJKIBXJCFQZ-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2cccc(Cl)c2)CC1 39749550 FBGRGHBDQDUBRH-UHFFFAOYSA-N 373.840 4.099 5 40 FIBB O=C(NCc1ccccc1)c1cc(F)cc2c(O)c3cccc(F)c3nc12 97102840 ZDNDSXXLRFPYEI-UHFFFAOYSA-N 364.351 4.302 5 40 FIBB C[C@@H]1[C@H](OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)[C@H]2CC[C@H]1C2(C)C 245240483 WQRGKEDCBMXHEN-CFNVJGFXSA-N 372.573 4.245 5 40 FIBB Cc1ccccc1N(CC(=O)c1cccc([N+](=O)[O-])c1)C1=NCCCC1 8415754 HZRLQDJXVURAOE-UHFFFAOYSA-N 351.406 4.175 5 40 FIBB O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCC12CC3CC(CC(C3)C1)C2 32624693 JJPQZTAIDKZGFK-PLNGDYQASA-N 354.450 4.331 5 40 FIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccnc1Nc1cccc(F)c1 51744501 FHBCNNQWMGIPBA-UHFFFAOYSA-N 367.336 4.230 5 40 FIBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)[C@@H]1c1ccc2ccccc2n1 101463333 WTAFWRUEGFTZDX-HXUWFJFHSA-N 368.348 4.459 5 40 FIBB CCOc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 408541773 DQXZFHKDUUKJFP-XQRVVYSFSA-N 353.172 4.223 5 40 FIBB Cc1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1Cl 3515333 HHLPIKDUEBGYMW-UHFFFAOYSA-N 355.177 4.228 5 40 FIBB COc1cc(Cl)c(C)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 25167781 DONYFMYGVDWTSW-UHFFFAOYSA-N 363.801 4.006 5 40 FIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1Br 45888903 URUMHAKMPHNKSQ-UHFFFAOYSA-N 363.211 4.480 5 40 FIBB CCCCN(CCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3145122 OIOFWCPXRUVRLY-UHFFFAOYSA-N 357.794 4.199 5 40 FIBB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 4162618 OVHPIEGBGJLARX-UHFFFAOYSA-N 368.345 4.078 5 40 FIBB COc1ccc(NC(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)c(OC)c1 8942907 KNMMIWAMXNPFCN-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccc(F)cc21 15199221 QZKYXLKDLFXDBY-RRGWEWPQSA-N 358.394 4.100 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c2ncccc12 29873806 REOXSPKDDZPZOR-GOSISDBHSA-N 366.421 4.375 5 40 FIBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 408625832 FUIFXEIUNFYCGL-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cccs1 26231501 KUCHGTSJBKKLCJ-INIZCTEOSA-N 359.451 4.130 5 40 FIBB COc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 32753923 ULUMRKDNYNEQGH-LBPRGKRZSA-N 354.362 4.183 5 40 FIBB CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408571323 OINCJKUHOVEJTA-GOSISDBHSA-N 368.462 4.248 5 40 FIBB CC(C)c1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 2468604 KCVGXGWEXJYBTE-FXAWDEMLSA-N 367.405 4.488 5 40 FIBB COc1cc(Cl)c(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 3551932 PUUUZRWBDRNKAW-UHFFFAOYSA-N 355.177 4.471 5 40 FIBB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 3615460 SRAQZYCHFIDIDB-UHFFFAOYSA-N 365.316 4.184 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)cc1C 5249668 KTOREZVZUWOTGU-UHFFFAOYSA-N 368.372 4.210 5 40 FIBB O=[N+]([O-])c1ccc(NCCNCc2c(F)cccc2Cl)c(Cl)c1 16383712 KZMFIYSBVAWESS-UHFFFAOYSA-N 358.200 4.242 5 40 FIBB COc1ccc(NC(=S)Nc2cccc(Cl)c2C)c([N+](=O)[O-])c1 17072982 OMDSAPXLWXJMQA-UHFFFAOYSA-N 351.815 4.374 5 40 FIBB Cc1ccc(CSCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 17603464 FFGPUIGRLNAPRL-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB NC(=O)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(Cl)cc(Cl)c1O2 1427819 BKAATOWAVHHIES-UHFFFAOYSA-N 351.145 4.277 5 40 FIBB Cc1ccccc1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C1=NCCCS1 28527568 DMQHNLIOKDKSIB-UHFFFAOYSA-N 369.446 4.085 5 40 FIBB CCCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC 224442734 MGEGKAWNLORJGW-UHFFFAOYSA-N 372.421 4.481 5 40 FIBB O=CN(Cc1ccccc1)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1705717 CYXGOCNYQKVIFN-UHFFFAOYSA-N 362.385 4.337 5 40 FIBB CCCCCCn1c(-c2ccco2)nc2oc3ccccc3c(=O)c2c1=O 2203758 XCIJPKCPCIBUCD-UHFFFAOYSA-N 364.401 4.343 5 40 FIBB CCn1c(Cc2ccccc2)nnc1SCc1ccccc1[N+](=O)[O-] 8090649 IOUVKGGHRRTOHA-UHFFFAOYSA-N 354.435 4.089 5 40 FIBB C[C@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12555337 GGYGFMQBCASODX-MRXNPFEDSA-N 367.449 4.031 5 40 FIBB Cc1sc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1[N+](=O)[O-] 58425049 JORBVRRBNVBAIG-UHFFFAOYSA-N 354.391 4.356 5 40 FIBB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(F)c1[N+](=O)[O-] 1772715152 LENXSKSPBZVTQI-UHFFFAOYSA-N 356.350 4.411 5 40 FIBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Cl 3285103 BUWLOGUXHAFOSV-UHFFFAOYSA-N 362.794 4.202 5 40 FIBB Cc1cc2nnc(Sc3ccc([N+](=O)[O-])cc3F)n2c2ccccc12 32923278 WDVLQKQKTSZSFF-UHFFFAOYSA-N 354.366 4.389 5 40 FIBB Cc1ccccc1-n1ncc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C1CC1 32809326 GGHIRUVMROFPPW-UHFFFAOYSA-N 362.389 4.219 5 40 FIBB Cc1c(Cl)ccc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 2723858 ICPZUKALZGNWKB-UHFFFAOYSA-N 353.812 4.480 5 40 FIBB O=C(Nc1nc2c(s1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2s1 4194497 AGYHSJZPYGNZKV-UHFFFAOYSA-N 359.432 4.397 5 40 FIBB CCCCOc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 4696528 WYKFXNYNJDOOTP-AQTBWJFISA-N 366.373 4.118 5 40 FIBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 4979858 QRPHZWYOOOYUIL-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 5583309 PGRIGMGKOXWWJP-ZROIWOOFSA-N 360.778 4.489 5 40 FIBB CC(=O)Oc1cn(CCC(C)C)c2nc(C)n3c4ccccc4nc3c12 5236096 DNDYPPIIXPJISU-UHFFFAOYSA-N 350.422 4.117 5 40 FIBB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 63848769 VODZHESTWIZVAW-UHFFFAOYSA-N 368.414 4.087 5 40 FIBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1 409205251 OXNBVWQWCDKCOC-VXPUYCOJSA-N 367.430 4.020 5 40 FIBB COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 1515921 DUWXNGSZHCDREW-CYBMUJFWSA-N 355.394 4.440 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc2cccnc12 57469070 JMLFYVBMNPUOPX-UHFFFAOYSA-N 353.403 4.182 5 40 FIBB CC1CCN(c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 11378666 SGOKAIQXZZFBCO-UHFFFAOYSA-N 373.482 4.050 5 40 FIBB CC(C)(C)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCCC1 10254423 FPECHFWRJYBBNM-UHFFFAOYSA-N 367.833 4.095 5 40 FIBB Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1 1621488 JEGGYZADOPBYJU-UHFFFAOYSA-N 369.398 4.338 5 40 FIBB O=C(COc1cccc2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 6283560 YTCWEYBHQOAAIK-UHFFFAOYSA-N 356.765 4.419 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(NC2CC2)s1 7468825 ZGMSWRLYEYDPKN-UHFFFAOYSA-N 362.358 4.191 5 40 FIBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2[N+](=O)[O-])CC1 32517478 NQASGNFLEVKZII-UHFFFAOYSA-N 374.828 4.132 5 40 FIBB CCCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl 2427782 CZHRDPZTDXXTNN-UHFFFAOYSA-N 357.797 4.290 5 40 FIBB O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1Cl 409057461 QJGMLCXWHFPKFY-ZROIWOOFSA-N 360.778 4.489 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2Cl)CC1 9063218 SSBYMNJCYKOIOE-UHFFFAOYSA-N 373.840 4.099 5 40 FIBB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215025020 MSXHJDYBRCXVAI-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB Cc1c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cccc1[N+](=O)[O-] 222991358 MOEMXDUAMSBKBN-AWEZNQCLSA-N 354.406 4.188 5 40 FIBB Cc1cccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N)c2[N+](=O)[O-])c1 5100515 UIZAPCMEBPZDOE-UHFFFAOYSA-N 364.409 4.379 5 40 FIBB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080439 KUUPLHWDKNZFQD-LLVKDONJSA-N 364.361 4.051 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 31317237 HNSOTMFWPSFQIK-UHFFFAOYSA-N 364.323 4.418 5 40 FIBB CCOc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 72270470 TYGDRGOHSLGZQU-UHFFFAOYSA-N 355.438 4.070 5 40 FIBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c2ccccc12 5851374 AZGLKOJCSHAARB-JTQLQIEISA-N 372.764 4.158 5 40 FIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3F)o2)cc1 7365262 PZVVVWYXCMSZPM-UHFFFAOYSA-N 355.369 4.196 5 40 FIBB Cc1cc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)no1 9641562 IFMIGUBWQUDYGY-NSHDSACASA-N 373.390 4.026 5 40 FIBB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140494 JCOGBRVLSDMARX-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB COc1ccc(Cc2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)cc1 40123037 UUQHFXVXVGPHEB-UHFFFAOYSA-N 371.418 4.178 5 40 FIBB CC(=O)Oc1cccc2cc3cc(C)cc(OC(C)=O)c3c(OC(C)=O)c12 1703957 UNJZBAUSDNLBJP-UHFFFAOYSA-N 366.369 4.077 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1c[nH]c2ccc(Cl)cc12 2238177 ZBEVRZFETCVIDW-QPJJXVBHSA-N 369.808 4.102 5 40 FIBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N=C2O)o1 2285281 MIKZZXMWRNGMPD-NTUHNPAUSA-N 362.388 4.193 5 40 FIBB COc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(F)F 2796660 BJTZVPZNAAYGDK-UHFFFAOYSA-N 372.711 4.111 5 40 FIBB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 3233169 FBLNUCKSPIGYGC-QWRGUYRKSA-N 365.480 4.086 5 40 FIBB CC(CNC(=O)c1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1 16966878 FTQSVVBGZBQTDX-UHFFFAOYSA-N 360.413 4.331 5 40 FIBB COc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c([N+](=O)[O-])c1 39892833 MHXGPVDOXJCZHR-UHFFFAOYSA-N 374.780 4.493 5 40 FIBB CCCCN[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3281929 RFDWYAKVNUVIPZ-KRWDZBQOSA-N 361.829 4.318 5 40 FIBB O=C(Cc1ccsc1)OCc1cc(=O)oc2ccc3ccccc3c12 3430906 JLQJWKLZOSDIBO-UHFFFAOYSA-N 350.395 4.294 5 40 FIBB Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 4889173 LYZWCPYTGNIOFQ-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6471794 NDFBEHZXDMWZHR-UHFFFAOYSA-N 353.290 4.015 5 40 FIBB Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1[N+](=O)[O-] 10899289 MQTNLTMVWACFIQ-UHFFFAOYSA-N 367.449 4.166 5 40 FIBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cccc2ccccc12 4873726 OOHDBKCURUFIRI-UHFFFAOYSA-N 372.812 4.325 5 40 FIBB CCc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 7093740 UZAKPOSOAROWCG-CQSZACIVSA-N 358.463 4.268 5 40 FIBB NC(=O)[C@H](OC(=O)c1c2ccccc2cc2ccccc12)c1ccccc1 14712472 RWOBRZAZJKBMHC-OAQYLSRUSA-N 355.393 4.376 5 40 FIBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 72229452 DNXSKIIIRDNEFV-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB CCN(CC)CCNc1ccc(C)c2sc3cccc(O)c3c(=O)c12 100825931 MCNKXSQAPNQEOV-UHFFFAOYSA-N 356.491 4.182 5 40 FIBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1 20140900 GUYMLHAWZSKIDB-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB Cc1c(C(=O)NCCCc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] 13649093 SCGRYMAAKBQQEO-UHFFFAOYSA-N 356.422 4.053 5 40 FIBB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Cl)ccc1[N+](=O)[O-] 5441616 OUWHHHPNZVAVBJ-UHFFFAOYSA-N 373.796 4.017 5 40 FIBB O=C(N[C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 6346856 XPTVKAYXHGGUSA-LJQANCHMSA-N 365.433 4.002 5 40 FIBB COc1cccc(C(=O)Nc2ccc3c(=O)c4cccc(F)c4oc3c2)c1 6661072 NGHKLNBWBUTPQI-UHFFFAOYSA-N 363.344 4.346 5 40 FIBB Cc1c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cccc1[N+](=O)[O-] 24578197 QEURUPPUIICVKO-INIZCTEOSA-N 367.430 4.490 5 40 FIBB CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCC 30862379 FYYMLLBCLHYRTJ-UHFFFAOYSA-N 372.421 4.272 5 40 FIBB NC(=O)c1ccc(CN(Cc2ccccc2)C2CCCCC2)c([N+](=O)[O-])c1 40151477 HDAAXBYHYICQPK-UHFFFAOYSA-N 367.449 4.029 5 40 FIBB CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 217894031 RDSJAHXLRFCCGO-NTEUORMPSA-N 368.433 4.144 5 40 FIBB CCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 408619332 BETNUVYNFIEYNY-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cccc1[N+](=O)[O-] 21577101 XMUSLTBSDLADDD-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 48324600 QMAHCZLZTXWZRD-LLVKDONJSA-N 355.350 4.232 5 40 FIBB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081786 QGUYHTYLIJDRIU-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB COc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 7468241 UJVZQYBRYJLEDA-UHFFFAOYSA-N 358.728 4.470 5 40 FIBB C[C@H]1C[C@@H](C)C[N@+](C)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 245229392 WQLBOYUQYLFYDC-PDXXHEQOSA-N 354.514 4.216 5 40 FIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cc3cc(OC(F)(F)F)ccc3nc2c1 4558132 FCFHRJAWAXZIIU-UHFFFAOYSA-N 353.212 4.103 5 40 FIBB COc1ccccc1Nc1nc(Nc2ccccc2C)nc(C)c1[N+](=O)[O-] 5394627 CGYMKOFJQYSYPV-UHFFFAOYSA-N 365.393 4.497 5 40 FIBB CNc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1[N+](=O)[O-] 7220098 SNOHVEMGABTINI-UHFFFAOYSA-N 359.385 4.460 5 40 FIBB C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12540214 MVDOMDNEZVNSQA-VQIMIIECSA-N 362.473 4.192 5 40 FIBB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 25056384 GLFMAWWMCKUWEB-UHFFFAOYSA-N 357.797 4.023 5 40 FIBB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc1 32724096 SBZHTMNIZWINMP-CQSZACIVSA-N 370.405 4.292 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3s2)CC1 1326921 LKUPLVZMWOTDQX-UHFFFAOYSA-N 367.430 4.224 5 40 FIBB O=[N+]([O-])c1ccc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 65540396 AKIKXIYJPWDIBM-SFHVURJKSA-N 366.396 4.468 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1cnc(-c2ccccc2)s1 5937282 XZABRSNZDBBJTK-MDZDMXLPSA-N 366.398 4.475 5 40 FIBB CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC 224442816 MUBMQGJNOPGPTK-UHFFFAOYSA-N 372.421 4.481 5 40 FIBB Cc1nc2c(ccc3nc(NC(=O)c4ccccc4[N+](=O)[O-])sc32)s1 4173988 HWUSKXNPYDPDQD-UHFFFAOYSA-N 370.415 4.375 5 40 FIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nccs2)cc1 14900079 KHGUWGRTEQROKR-UHFFFAOYSA-N 368.418 4.159 5 40 FIBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)s1 3280746 LVSSIKWIEQYAMJ-UHFFFAOYSA-N 360.174 4.003 5 40 FIBB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)nc2c1c(=O)oc1ccccc12 4108205 XUNPNHJTFFWQSS-AWEZNQCLSA-N 374.396 4.056 5 40 FIBB O=C(CSc1nc2ccc(Cl)cc2o1)Nc1ccc([N+](=O)[O-])cc1 6400096 MHXAGVRWEUFBLM-UHFFFAOYSA-N 363.782 4.120 5 40 FIBB C[C@@H]1CCCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)C1 10541063 CJTPTZPIKWIPQX-ZGPWBKFBSA-N 350.418 4.394 5 40 FIBB NC1=Nc2nc3ccccc3n2[C@@H](c2c3ccccc3cc3ccccc23)N1 13282083 PGTUCPMBTWOZGA-NRFANRHFSA-N 363.424 4.439 5 40 FIBB Cc1cc(N[C@@H]2CCO[C@@H](CC(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 95990655 RDQBILJEWWVROC-AEFFLSMTSA-N 370.453 4.366 5 40 FIBB Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 710933 KMCQGPORJXCODC-UHFFFAOYSA-N 361.353 4.353 5 40 FIBB COc1ccccc1N1C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2C1=O 1438083 XBAODRQCONZFJG-UHFFFAOYSA-N 374.352 4.071 5 40 FIBB O=C(Nc1nnc(-c2cccs2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 2763229 RTTABQZMLXASSQ-UHFFFAOYSA-N 366.811 4.081 5 40 FIBB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1[N+](=O)[O-] 5965942 YLZGIRMJYJWJFO-UHFFFAOYSA-N 371.443 4.449 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 8367421 VOGMIKUGPJNPKQ-ZDUSSCGKSA-N 367.430 4.224 5 40 FIBB O=[N+]([O-])c1ccn(-c2ncnc3scc(-c4ccc(Cl)cc4)c23)n1 58003708 GSQMMFMKOYIHGB-UHFFFAOYSA-N 357.782 4.106 5 40 FIBB Cc1ccc(Nc2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])cc1C 9009406 VFYZDIGEZMOKCC-UHFFFAOYSA-N 368.372 4.210 5 40 FIBB S=C(NCc1ccco1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 38201688 PATFVARJFZMSOF-UHFFFAOYSA-N 373.441 4.344 5 40 FIBB Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Sc1ccc(F)cc1 2685887 AZWBHYPCKWOPFA-UHFFFAOYSA-N 371.393 4.387 5 40 FIBB O=[N+]([O-])c1cc(CN2CCOCC2)ccc1Sc1ccc(Cl)cc1 20365604 RUQYFNUXOVPXKP-UHFFFAOYSA-N 364.854 4.232 5 40 FIBB COc1ccc(Nc2nc(NCc3ccccc3)nc(C)c2[N+](=O)[O-])cc1 5336467 RRMLZDGAIUHTAC-UHFFFAOYSA-N 365.393 4.058 5 40 FIBB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 12686500 STUXBWWWJSTHAW-CYBMUJFWSA-N 354.435 4.167 5 40 FIBB Cc1ccc(SCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 17341110 ZKMDVNUILSEPOJ-UHFFFAOYSA-N 350.827 4.079 5 40 FIBB Cc1cccn2c(NC(=O)c3ccc([N+](=O)[O-])o3)c(-c3ccccc3)nc12 72627465 TVLLBUVHFODJEU-UHFFFAOYSA-N 362.345 4.063 5 40 FIBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 5854408 PLSZHVMNHFMKFS-UHFFFAOYSA-N 359.721 4.034 5 40 FIBB Cn1cc(C(=O)c2ccc(Cl)cc2)cc1C(=O)c1cccc([N+](=O)[O-])c1 3172945 SMBZFIZWOURMDY-UHFFFAOYSA-N 368.776 4.049 5 40 FIBB O=C(CCSc1ccccc1Cl)OCc1ccc([N+](=O)[O-])cc1 3253343 JVHVQKALKPGHBK-UHFFFAOYSA-N 351.811 4.474 5 40 FIBB Cc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 8907632 DYFRJRPUDXSFJI-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 12812241 VVQFINYDEQLIAK-UHFFFAOYSA-N 351.337 4.357 5 40 FIBB O=c1c([N+](=O)[O-])c(Oc2ccc(-c3ccccc3)cc2)nc2ccccn12 12901034 VKJCTAXLRQQCKL-UHFFFAOYSA-N 359.341 4.062 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 35026121 AAIHEZGNYXLYBB-MMBKUXRPSA-N 358.397 4.403 5 40 FIBB Cc1cc(Br)cc([N+](=O)[O-])c1NC(=O)[C@@H](C)c1ccccc1 95471005 IMNJXHAWWFHTAU-NSHDSACASA-N 363.211 4.408 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)c1 409188565 DKSNCKXTKIWFDY-FHLIZLRMSA-N 355.350 4.138 5 40 FIBB CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 7079995 GSTTULKNCBCXIZ-ZDUSSCGKSA-N 358.394 4.134 5 40 FIBB C[C@@H]1[C@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)[C@H]2CC[C@H]1C2(C)C 245240486 WQRGKEDCBMXHEN-VFMKGFAKSA-N 372.573 4.245 5 40 FIBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1c(F)cccc1F 4071273 XSSYIZSUYQZDJK-UHFFFAOYSA-N 361.329 4.249 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(Cl)c3)nc12 4070150 QKZMMQBDWBVCPZ-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB CCOc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1[N+](=O)[O-] 24554129 ASAFEQQPBXFZOX-UHFFFAOYSA-N 371.418 4.472 5 40 FIBB CC(=O)c1ccc(Nc2ccc(F)c(NC(=O)C3CC3)c2)c([N+](=O)[O-])c1 29526691 XJBFUOFXFNJAGB-UHFFFAOYSA-N 357.341 4.029 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc1 36395255 JLFMWTWIPFBCQE-UHFFFAOYSA-N 358.785 4.168 5 40 FIBB COc1cccc2c1O[C@]1(C=C2)N(C)c2ccc([N+](=O)[O-])cc2C1(C)C 3897011 QKEDDTVEWJRBJC-FQEVSTJZSA-N 352.390 4.133 5 40 FIBB COc1cccc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc12 5193223 VEIODHOGNWLIBY-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 5815064 TWJVESNWRGORMX-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB CC(=O)c1ccc(Sc2nnc(-c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 8199823 YEBPBAWZOQZTNK-UHFFFAOYSA-N 355.375 4.307 5 40 FIBB COCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2cccc(F)c12 26360044 WVUPVUKVUIFFGN-UHFFFAOYSA-N 360.366 4.347 5 40 FIBB O=C(NCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 6550848 RGHKBACCMBYHBK-UHFFFAOYSA-N 369.208 4.135 5 40 FIBB O=C(NCCSc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 8125074 PFAWRHKLZSIRGW-UHFFFAOYSA-N 371.245 4.424 5 40 FIBB CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 38771439 RCFIHCXFBRITDU-SFHVURJKSA-N 374.462 4.104 5 40 FIBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c2ccccc2cc2ccccc12 5247337 LFXWUOHCVXGABP-HXUWFJFHSA-N 360.413 4.184 5 40 FIBB CCCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 15409868 MFVPHZCZZMSUTQ-UHFFFAOYSA-N 358.394 4.343 5 40 FIBB Cn1cnc([N+](=O)[O-])c1N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 60874892 IHTOKHYCGPADTH-INIZCTEOSA-N 358.348 4.002 5 40 FIBB COc1ccc(N(C)C(=O)Nc2cc3ccncc3c3ncccc23)cc1 408977546 WPGLSYCWSHVISB-UHFFFAOYSA-N 358.401 4.460 5 40 FIBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1ccc(Br)cc1 3253155 GVWBCTVTFUZIDZ-JXMROGBWSA-N 362.179 4.114 5 40 FIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(Cl)c1 3902715 LUNDWJFHSAMVIS-UHFFFAOYSA-N 362.816 4.447 5 40 FIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccc([N+](=O)[O-])cc1 6660711 HZUXRWWPWVOCSY-UHFFFAOYSA-N 360.325 4.107 5 40 FIBB CCOc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2C=O)o1 408526494 CFNHUTWLPVTOLX-UHFFFAOYSA-N 371.374 4.007 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(OC(F)(F)F)c1 12917845 RFHRMPYHKXQZTH-UHFFFAOYSA-N 372.324 4.224 5 40 FIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1 2627327 AVMCSUGQTMWVMC-SECBINFHSA-N 355.177 4.308 5 40 FIBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 4258030 IBSINSIFERBRCO-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB Cc1ccc2c(c1)N(CCCN1CC[N+](C)(C)CC1)c1ccccc1S2 1705060 HBWASBZNRNHUTB-UHFFFAOYSA-N 368.570 4.380 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868732 HJZWKZSXCCCYRM-INIZCTEOSA-N 374.824 4.070 5 40 FIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 12901524 CEGNLBUPHXSINY-SECBINFHSA-N 370.739 4.341 5 40 FIBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)c2cccnc12 25256672 RVNWKQFBBGGBJR-UHFFFAOYSA-N 355.781 4.069 5 40 FIBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2)cc1C 408573927 UEBHNJWBWVXIFK-SFHVURJKSA-N 368.462 4.303 5 40 FIBB O=C1S/C(=C\c2cccc(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 1413684 YOPWGTYYKXUUBU-DHDCSXOGSA-N 374.805 4.485 5 40 FIBB CCCc1noc(-c2ccc(NCc3ccccc3OC)c([N+](=O)[O-])c2)n1 8587146 BNEZOFFMBAPJNM-UHFFFAOYSA-N 368.393 4.218 5 40 FIBB Cc1nc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n(C[C@@H]2CCCO2)c1C 20990234 KCKOYADQOAYSOL-YOEHRIQHSA-N 361.467 4.440 5 40 FIBB Cc1cc(C)nc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 2072372 XRAIAIOGEQKSJV-UHFFFAOYSA-N 374.300 4.080 5 40 FIBB O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3ccc(F)cc32)cc1 4129813 WWCJYFICVSGGIJ-UHFFFAOYSA-N 360.348 4.168 5 40 FIBB COc1ccc(OC(=O)CCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 7000590 LENCJAJTJDLIHP-UHFFFAOYSA-N 354.362 4.013 5 40 FIBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2Sc1ccccc1[N+](=O)[O-] 13136375 PWZDIKWSVYKPKO-DOTOQJQBSA-N 355.463 4.218 5 40 FIBB Cc1ccc(-c2oc(/C=C/C(=O)O)cc2Br)c([N+](=O)[O-])c1 40544928 MZJLPHMPAWBZCE-HWKANZROSA-N 352.140 4.024 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F 58172391 WUNOWDIQOPGNFE-UHFFFAOYSA-N 356.325 4.388 5 40 FIBB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408907252 NOLCQALSRRYZSD-KXFRKYDUSA-N 362.429 4.440 5 40 FIBB COc1cc2cc[n+]3c(C)c4ccc(OC)c(OC)c4cc3c2cc1OC 1734970 TYCCHJVNIUSFKL-UHFFFAOYSA-N 364.421 4.075 5 40 FIBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2 4291920 INKHNBFWANDRDJ-RRBXVBTKSA-N 371.389 4.073 5 40 FIBB COc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 6124962 YZMXFLZDPBYKPV-CQSZACIVSA-N 369.421 4.092 5 40 FIBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)s1 5505836 QTVQOMRWYXHZSA-UHFFFAOYSA-N 360.174 4.003 5 40 FIBB CCC1(CC)C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 223180955 HMNYAXOIXYPGRV-KRWDZBQOSA-N 368.433 4.336 5 40 FIBB C[C@@H]1CCCCN1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1 5187344 CKQUGTLMDCGMRA-MRXNPFEDSA-N 368.433 4.326 5 40 FIBB O=C(CSc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4496704 RQBWELMPXOPYBF-UHFFFAOYSA-N 363.395 4.074 5 40 FIBB C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2 12371967 WYWQCKGEIUFJRD-WCRBZPEASA-N 350.482 4.132 5 40 FIBB CCOCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)oc2ccccc12 12784688 KYKYQKFRPXPYPD-UHFFFAOYSA-N 354.362 4.438 5 40 FIBB Cc1ccc(NC(=O)CSc2cccc3cccnc23)cc1[N+](=O)[O-] 57468890 SZGCLXIHYGJSRN-UHFFFAOYSA-N 353.403 4.182 5 40 FIBB CCc1ccc(CC)c(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 222947723 QJEPADDXQWSXSH-UHFFFAOYSA-N 372.490 4.269 5 40 FIBB CCN(CC)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 2726303 REBKSRQLIBTESM-UHFFFAOYSA-N 359.451 4.172 5 40 FIBB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)n2)o1 4174157 WJAXBYQGSOGMJQ-ZZXKWVIFSA-N 361.404 4.333 5 40 FIBB Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1C 5602294 HSXQXDYHLHOIAD-UHFFFAOYSA-N 356.403 4.166 5 40 FIBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 6785693 PATPUEASTMYUSG-UHFFFAOYSA-N 358.156 4.091 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 13009512 RNYAFPRREQSMNJ-ZDUSSCGKSA-N 374.418 4.031 5 40 FIBB O=c1c([N+](=O)[O-])c(Oc2ccc(Cl)c3ccccc23)nc2ccccn12 26030359 RVFLUCHWWFSFCM-UHFFFAOYSA-N 367.748 4.202 5 40 FIBB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c([N+](=O)[O-])c1 408623315 SSEXOCLJMITIKK-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 409194638 QAIXOBBLIKMLIS-YRNVUSSQSA-N 350.739 4.082 5 40 FIBB CCCCOCc1ccc2oc(C(=O)O[C@@H](C)CC[N+](C)(C)C)cc2c1 2295540 GFMSFGVIHICQKY-INIZCTEOSA-N 362.490 4.391 5 40 FIBB CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl 20452997 DCMXQCGMMVDFPL-RMKNXTFCSA-N 374.780 4.077 5 40 FIBB CCc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 409099570 UGWACMAXZOAGRO-UHFFFAOYSA-N 354.435 4.339 5 40 FIBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)C1CCCCC1 2483570 UCSWERIPCSWNKT-UHFFFAOYSA-N 372.450 4.046 5 40 FIBB Cc1ccc(NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)cc1C 2740059 KWQHQHRCYPQUKM-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2CCN1CCCCC1 4311569 RNAQAKFMXGBKTQ-UHFFFAOYSA-N 368.393 4.097 5 40 FIBB Cc1ccc(F)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4903070 HTRSHGOJDMWBGY-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 19932730 OZOOWRSCJJTEDU-CQSZACIVSA-N 364.785 4.053 5 40 FIBB CCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408569590 JSRJIAUATIOTFY-QGZVFWFLSA-N 354.406 4.374 5 40 FIBB COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)cc1 409190604 SQCRCRKKASPVDP-AYOQOUSVSA-N 368.389 4.016 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cs1 7820575 VQEITQVDTGZCBT-UHFFFAOYSA-N 373.459 4.327 5 40 FIBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c(Cl)c1 18899253 DPALZADOYLOOCB-UHFFFAOYSA-N 372.277 4.285 5 40 FIBB O=C(c1cc2ccccc2c2cccnc12)N1CCN(C2CCCC2)CC1 49652770 SEZWWOOJXIJXTM-UHFFFAOYSA-N 359.473 4.088 5 40 FIBB O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 409103738 FIJPEBDCXQWYSD-LDADJPATSA-N 367.430 4.280 5 40 FIBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 994050 QSGDWCOYYSYHFW-UHFFFAOYSA-N 358.703 4.448 5 40 FIBB Cc1cc(C)cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 3902722 SLURSLWFDBLLTR-UHFFFAOYSA-N 356.425 4.410 5 40 FIBB CCCCCc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 3079507 PFFJISYOASMCPK-UHFFFAOYSA-N 354.819 4.085 5 40 FIBB O=C(Cc1ccc([N+](=O)[O-])cc1)Sc1nc2cc3ccccc3cc2[nH]1 409390373 CRRLZIVNZPXBAT-UHFFFAOYSA-N 363.398 4.486 5 40 FIBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536073 IGXVEUGSUKKORZ-UHFFFAOYSA-N 354.406 4.444 5 40 FIBB CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCc2ccccc21 47406655 BFJJSCNVFWPROQ-GOSISDBHSA-N 364.405 4.154 5 40 FIBB CSc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1[N+](=O)[O-] 3553895 AKQKCDDCBMYNFQ-UHFFFAOYSA-N 359.432 4.487 5 40 FIBB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1 6483709 ZDCUMMCXBRHKBH-BQYQJAHWSA-N 364.195 4.284 5 40 FIBB CCOc1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC 38772690 SLRJFOXOKAFIMP-UHFFFAOYSA-N 372.421 4.272 5 40 FIBB CSc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] 23503556 VQSFGLXLBYVPKY-JTQLQIEISA-N 366.389 4.428 5 40 FIBB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 10898900 ZASMZRTXLZHTRI-UHFFFAOYSA-N 367.449 4.166 5 40 FIBB O=C(OCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 4670334 MBZAPCIGEWJZPY-UHFFFAOYSA-N 368.301 4.120 5 40 FIBB CCc1ccc(C(=O)COC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1 16161501 NYFOFCXGYCRYIB-UHFFFAOYSA-N 373.430 4.066 5 40 FIBB O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cccc([N+](=O)[O-])c1 5936912 PQRDKWIBVHNUBZ-UHFFFAOYSA-N 351.358 4.116 5 40 FIBB CC(C)c1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 223747933 SNXPRYBAXTXSTK-UHFFFAOYSA-N 362.813 4.180 5 40 FIBB C[C@]12C[C@@H](NC(=O)N1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O2 2601941 VBPVWFUKIAIHSU-PBHICJAKSA-N 359.769 4.018 5 40 FIBB O=[N+]([O-])c1cc2c(c(CSc3nc4ccccc4s3)c1)OCOC2 2660935 LMXKORSJCGPGOZ-UHFFFAOYSA-N 360.416 4.363 5 40 FIBB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 6221358 ORCBQCXZZLFCNZ-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cc1ccccc1 12995633 NFIGNFHRJFFUGP-UHFFFAOYSA-N 362.385 4.447 5 40 FIBB COc1ccc2[nH]c(-c3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2c1 23336415 SVDMZYWEAXTXFJ-UHFFFAOYSA-N 352.375 4.270 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 218047904 NQTYPXRIFYLYJB-UHFFFAOYSA-N 370.352 4.486 5 40 FIBB Cc1ccc(Nc2nc(COC(=O)c3ccc([N+](=O)[O-])o3)cs2)cc1 3273380 ZTRWONWLFXWQAI-UHFFFAOYSA-N 359.363 4.053 5 40 FIBB O=c1c(-n2nnc3ccccc32)c2oc3ccccc3nc-2c2ccccc12 4363494 YARVYTRIAIGOED-UHFFFAOYSA-N 364.364 4.180 5 40 FIBB O=c1oc2ccccc2c(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 4994568 IYHNUEKZAFADNW-UHFFFAOYSA-N 350.252 4.464 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 5067359 XPDKBYXIHXVCHA-RRIFHVCJSA-N 369.248 4.389 5 40 FIBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCCCCO 5958527 HUVGDQPMWGPDHQ-UHFFFAOYSA-N 352.434 4.139 5 40 FIBB O=C(NCc1ccc(COc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 32304059 NRKPEIBRUJCCNK-UHFFFAOYSA-N 362.385 4.104 5 40 FIBB Cc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 59502365 CJPQTPIJYBNXIR-CXUHLZMHSA-N 369.402 4.009 5 40 FIBB Cc1ccc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 219859708 BJLVIIBXBKQWLG-UHFFFAOYSA-N 373.840 4.412 5 40 FIBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C)c1C 993934 YSIMAUGBYRDMAI-UHFFFAOYSA-N 362.407 4.011 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccs2)cs1 3181884 WGKGGRBYISGGOE-VOTSOKGWSA-N 357.416 4.432 5 40 FIBB O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1[N+](=O)[O-] 5033663 UGTXUZMRNCCYBG-UHFFFAOYSA-N 363.782 4.120 5 40 FIBB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cccc([N+](=O)[O-])c1 5703247 DKFZACVMOIZPBV-IUXPMGMMSA-N 352.390 4.107 5 40 FIBB COc1cc(CN2c3ccccc3C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F 27269137 XQDSPXGWQKEQAC-LLVKDONJSA-N 364.348 4.156 5 40 FIBB Cc1ccc(-n2nc(C)c(/C=C/c3onc(C)c3[N+](=O)[O-])c2C)cc1C 408994966 KADXPXDOUZICOU-CMDGGOBGSA-N 352.394 4.481 5 40 FIBB Cc1cc(N)c2cc(CC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1 1554503446 KUEIJSQSNNZXKH-UHFFFAOYSA-N 355.781 4.112 5 40 FIBB CCCc1nc2c(c(=O)c3ccccc3n2CC)c2nc3ccccc3n12 5205552 JONBCHGHGIIGDG-UHFFFAOYSA-N 356.429 4.323 5 40 FIBB Cc1nc(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12 6527700 GWBKVHLOIORLJZ-UHFFFAOYSA-N 373.821 4.475 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCCCC1 8586962 IWORPRMEGXXCTA-UHFFFAOYSA-N 350.378 4.302 5 40 FIBB C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 32907541 YXNWOSJRPNAKHB-CYBMUJFWSA-N 362.813 4.146 5 40 FIBB Cc1ccc(Cn2nc(C)c(NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 2763848 BAAJJMVUJKKMFJ-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB Cc1cccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 990715 HXPLPWNHMZYANI-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB Cc1ccc(C(=O)C[C@@H](SCC(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1793594 KCIJPNGLCMDMQX-QGZVFWFLSA-N 359.403 4.035 5 40 FIBB Cc1ccc(C)c(OC2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1 58358245 SRSSVOUYVWVAOK-UHFFFAOYSA-N 358.413 4.394 5 40 FIBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1Cl 4692997 MWGJFSNJLVRHBX-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1ccc(C)cc1 36620626 LHIJHEJXYMJSNU-KRWDZBQOSA-N 355.394 4.281 5 40 FIBB O=[N+]([O-])c1cccc(-c2n[nH]c(COc3cccc(Cl)c3Cl)n2)c1 40169571 YLDYOUSPMXUMML-UHFFFAOYSA-N 365.176 4.266 5 40 FIBB CCN(CC)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 1452419 UAOYQUYWIPUIET-XBLGPDGASA-N 356.466 4.301 5 40 FIBB COc1ccc(NC(=O)c2cc3ccccc3cc2OC)c([N+](=O)[O-])c1 4071169 YIZBPEPYLDMCCL-UHFFFAOYSA-N 352.346 4.018 5 40 FIBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] 4072187 KRZFGJFGEXQYPT-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB Nc1nc(N)c(-c2ccc(Cl)cc2)c(/C=C/c2ccc([N+](=O)[O-])cc2)n1 4877162 VOCVPDMLBGGHDW-XCVCLJGOSA-N 367.796 4.040 5 40 FIBB CC(C)CCOC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 5250011 LRIAYHIGSVIUKC-UHFFFAOYSA-N 373.365 4.450 5 40 FIBB COc1ccc(-c2n[nH]c(S[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 7866291 CQYXHSFHTKDXCH-LLVKDONJSA-N 356.407 4.242 5 40 FIBB Cc1ccc(CN2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 9063158 YJUZZWAYTQCUMM-UHFFFAOYSA-N 367.449 4.062 5 40 FIBB CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 39978268 DWJXVLYQZRBZSK-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(C(F)(F)F)cc3)n2)c1 55825618 DUJONNRGJRTBSJ-UHFFFAOYSA-N 364.283 4.276 5 40 FIBB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 59471939 BSSWBXMZGCLMLC-AWNIVKPZSA-N 368.433 4.101 5 40 FIBB Cc1csc(=Nc2ccccc2)n1CCNc1ccccc1[N+](=O)[O-] 584906143 ILKHQYWXJWGCJM-UHFFFAOYSA-N 354.435 4.111 5 40 FIBB O=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccc(Cl)cc1 2689590 BFSDCNRMCATUAV-UHFFFAOYSA-N 370.813 4.432 5 40 FIBB CCOc1cc(CO)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4682171 TUCFEUGNIMXIEF-UHFFFAOYSA-N 357.284 4.297 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(C)cc(C)c3)nc12 10010538 RJZDNXCKPJLLML-UHFFFAOYSA-N 357.391 4.082 5 40 FIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1cccc(Cl)c1 32777239 SADLXJXSNBRLMB-UHFFFAOYSA-N 363.782 4.120 5 40 FIBB COc1cc2cc3cc4cc(OC)c(OC)cc4c(C)[n+]3cc2cc1OC 1725048 SWNYVAFICNDYTI-UHFFFAOYSA-N 364.421 4.075 5 40 FIBB CC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1 61997153 GHIVMCNJTWGYMN-UHFFFAOYSA-N 367.361 4.289 5 40 FIBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1516989 VJAZKMKFOLDJPQ-QMMMGPOBSA-N 373.167 4.447 5 40 FIBB CCN(CC)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12 5390415 FOKHGBOYBLIJFC-UHFFFAOYSA-N 356.491 4.182 5 40 FIBB CC1(C)C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2O1 217888062 BVOXGGGUKREOPV-SXSDINLZSA-N 352.390 4.027 5 40 FIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 7072933 GSTTULKNCBCXIZ-CYBMUJFWSA-N 358.394 4.134 5 40 FIBB CCN(CC)C(=O)CSc1ccc(SC(F)(F)F)cc1[N+](=O)[O-] 1475709 ZOMVDQHIXJKOJC-UHFFFAOYSA-N 368.402 4.167 5 40 FIBB Cc1c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-] 20455448 VOUJJJSHRGUEJO-HNNXBMFYSA-N 367.449 4.387 5 40 FIBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC 33703651 PTRBMIFSZNCNEY-UHFFFAOYSA-N 364.785 4.298 5 40 FIBB O=C(Nc1ccc(CN2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 17074170 WSRXJIINWDLRKH-UHFFFAOYSA-N 359.813 4.096 5 40 FIBB O=[N+]([O-])c1cccc(/C=c2/nc(-c3ccccc3)n3c2nc2ccccc23)c1 5646873 BHTYVZQUXDHVEM-XMHGGMMESA-N 366.380 4.005 5 40 FIBB Cc1ccc(OCc2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 12774353 XEDYWLZXCRVTDV-UHFFFAOYSA-N 369.402 4.191 5 40 FIBB CC(C)(C)[C@H](NCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 48340535 ZOMJOIZHCPDGDT-MRXNPFEDSA-N 371.466 4.249 5 40 FIBB O=Cc1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409084608 VSSVEUSBAAIDNB-UHFFFAOYSA-N 357.105 4.415 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[N@]1Cc1ccccc1 1857935237 AAIHEZGNYXLYBB-FUDKSRODSA-N 358.397 4.403 5 40 FIBB CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1 10542967 OYVUMACCXCKHFA-HNNXBMFYSA-N 360.797 4.280 5 40 FIBB C[N+]1(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCC1 16975533 NEFLNCCGYQUTMY-GAWOJFTKSA-N 370.557 4.135 5 40 FIBB Cc1ccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 18701103 COJKRKXCXHJKDL-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 408566352 FKOYDOOFAVXYRS-KRWDZBQOSA-N 372.425 4.133 5 40 FIBB O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 1024433 BYZONGNQJNFGSJ-FQEVSTJZSA-N 359.385 4.362 5 40 FIBB Cc1ccc(Nc2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])cc1C 5219609 VICRCHSACDELJW-UHFFFAOYSA-N 364.409 4.095 5 40 FIBB CCc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 10010539 KUYZBMMZUKAJTG-UHFFFAOYSA-N 357.391 4.028 5 40 FIBB O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 13631860 RJCKHGWNOIVKIJ-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])cc1Cl 20141097 XKLMCHPQGSABNE-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc(Br)c1 40130867 NCXNTMLOLAQLEQ-UHFFFAOYSA-N 353.147 4.057 5 40 FIBB CCCOc1ccccc1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 217888328 KTAYZNMLNOGPLW-OUKQBFOZSA-N 368.433 4.146 5 40 FIBB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3602893 ARZHCIUZXQMDGN-SECBINFHSA-N 355.177 4.308 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccccc2)n1 8844209 AABXYOREAISBKD-UHFFFAOYSA-N 353.403 4.208 5 40 FIBB Cc1c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cccc1[N+](=O)[O-] 225130076 ISZXAXQEIZDMEP-UHFFFAOYSA-N 371.418 4.113 5 40 FIBB COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1N 1069593 JTEZJHUTNNVQGZ-UHFFFAOYSA-N 360.416 4.330 5 40 FIBB O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 2694668 DKVKMDMLLNXXDV-UHFFFAOYSA-N 369.354 4.262 5 40 FIBB CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCC2)cc1 10113714 NRJXBPARTWLEFW-UHFFFAOYSA-N 359.813 4.125 5 40 FIBB Cc1ccc(CCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 12763465 VLJLYSRMFFNGQV-UHFFFAOYSA-N 352.434 4.388 5 40 FIBB CCOc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] 19005381 HQWJQAIYPZKVQZ-UHFFFAOYSA-N 357.391 4.164 5 40 FIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(F)cc2)o1 25019197 NQOGXVNISNXFEU-UHFFFAOYSA-N 371.320 4.263 5 40 FIBB CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccccc1 408582654 OMROKRVPIOXCPL-UHFFFAOYSA-N 368.418 4.227 5 40 FIBB O=C1Nc2ccccc2S/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1 409102803 UFLXGSXFHVDJCW-PDGQHHTCSA-N 363.398 4.471 5 40 FIBB Cc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])c(C)c1 4116733 ROOOVKDIQFHWSS-UHFFFAOYSA-N 367.409 4.482 5 40 FIBB Cc1ccc(C)c(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 4479510 JAQMLALKZQNRJG-UHFFFAOYSA-N 372.768 4.167 5 40 FIBB Cc1cccc(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 55896648 QDFQWFVNQXQAAA-UHFFFAOYSA-N 367.449 4.091 5 40 FIBB COc1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn2C)c1 12579351 RWZBGYWXWGGYAA-KRWDZBQOSA-N 372.812 4.192 5 40 FIBB CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 28911033 ZKYDBSSJFCVXNH-HXUWFJFHSA-N 374.400 4.408 5 40 FIBB O=C1C2=C(CCCC2)[C@H](Nc2ccccc2[N+](=O)[O-])N1Cc1ccccc1 6548525 RUOLHLMPFHZPPC-HXUWFJFHSA-N 363.417 4.246 5 40 FIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc2cccnc12 39537523 SLTQVUNDXOODHP-UHFFFAOYSA-N 355.781 4.069 5 40 FIBB O=[N+]([O-])c1c(NCc2cccnc2OC2CCCC2)ccc2ncccc12 58407139 BNBWANBNQAIZBG-UHFFFAOYSA-N 364.405 4.472 5 40 FIBB C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 11563698 LKYSDZDUTLEDQZ-HILYYZTDSA-N 371.481 4.118 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)cc1 6249130 CSISPNLPUJPIIO-AWNIVKPZSA-N 351.406 4.237 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nnco2)cc1 1043702 JAENVVGCTYCHAR-UHFFFAOYSA-N 351.240 4.456 5 40 FIBB Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(C)c1 4070388 HRVVMHKVJWTQEK-UHFFFAOYSA-N 368.418 4.291 5 40 FIBB Cc1ccc(C)c2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 4331009 MYNURJCLNIQQCL-CMDGGOBGSA-N 353.403 4.473 5 40 FIBB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)O)o2)cc1[N+](=O)[O-] 9668244 ICFCFHCRGCMXKQ-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 4720709 LHGUZANBLIRTHV-UHFFFAOYSA-N 354.406 4.444 5 40 FIBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 7889454 QMQRTYZKDQPGNK-HXUWFJFHSA-N 359.385 4.362 5 40 FIBB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 8868464 HPSGRJFZJUKMDF-UHFFFAOYSA-N 350.374 4.339 5 40 FIBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCC(C)C 224451966 JMZRMYQTELJEJD-UHFFFAOYSA-N 358.394 4.028 5 40 FIBB Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1cccs1)=N2 4129800 JQHNIVSESUYMKJ-UHFFFAOYSA-N 362.414 4.399 5 40 FIBB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8496371 GPYFJKNVUKRDSB-CQSZACIVSA-N 352.749 4.183 5 40 FIBB O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(Cl)ccc1[N+](=O)[O-] 32907771 BOHPYYPXRMBLMB-UHFFFAOYSA-N 360.675 4.399 5 40 FIBB O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2c2cccnc12 65123911 GBHUSLQBIAHZKY-UHFFFAOYSA-N 371.396 4.269 5 40 FIBB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)(C)O2 217876444 RKXSDGDOVDPAFR-MRXNPFEDSA-N 354.406 4.244 5 40 FIBB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778376 WYPOFAOLHRNCFR-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB Cc1cc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)no1 3513306 GBRFPRADXSNUFZ-UHFFFAOYSA-N 360.369 4.085 5 40 FIBB O=[N+]([O-])c1ccc2[nH]c(/C(Cl)=C/c3ccc(-n4ccnc4)cc3)nc2c1 7133947 AWYOUFTYFYYEDZ-DHDCSXOGSA-N 365.780 4.394 5 40 FIBB COc1cccc(-c2nc(COc3cc(F)ccc3[N+](=O)[O-])cs2)c1 8373736 XXJFJZMAVBZSEX-UHFFFAOYSA-N 360.366 4.445 5 40 FIBB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3[N+](=O)[O-])s2)cs1 12396558 QCHJKGROGXVUMD-UHFFFAOYSA-N 373.459 4.061 5 40 FIBB CC(C)[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccs1 15183036 HVRZRMQZZXFRTR-KRWDZBQOSA-N 359.451 4.358 5 40 FIBB Cc1nc2ccccc2c2c(NC(=O)C3CCOCC3)c3ccccc3n12 23271862 ORRMKRWYBLCCFF-UHFFFAOYSA-N 359.429 4.314 5 40 FIBB CC1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 408922568 OYGRXKSTGOGQCT-HMMYKYKNSA-N 350.418 4.394 5 40 FIBB CCc1cccc(CC)c1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 3442546 WGVDRXPAFKWMFE-UHFFFAOYSA-N 362.813 4.391 5 40 FIBB NC1=Nc2nc3ccccc3n2[C@H](c2c3ccccc3cc3ccccc23)N1 13282082 PGTUCPMBTWOZGA-OAQYLSRUSA-N 363.424 4.439 5 40 FIBB C[C@@H](SC1=NN/C(=C2\C=Nc3ccccc32)O1)c1cccc([N+](=O)[O-])c1 105079065 RCAHVKFOORUDFI-PTGFTAGUSA-N 366.402 4.365 5 40 FIBB O=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 5674725 BZODFWRCFDKSCJ-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB O=C(/C=C\c1ccccc1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 13563451 MKRMUERBQJOUJT-HJWRWDBZSA-N 361.357 4.434 5 40 FIBB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 3207606 ANMXGMLJYWGNHL-LBPRGKRZSA-N 359.451 4.455 5 40 FIBB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6507474 MQWSGBZPZLBKDE-NSHDSACASA-N 363.801 4.004 5 40 FIBB CC(=O)c1ccc(Oc2ccc3c(C)cc(=O)oc3c2C)c([N+](=O)[O-])c1 7979271 CZOHPSCRHKFEDA-UHFFFAOYSA-N 353.330 4.313 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38859758 IRIORMKLBAUBKP-HNNXBMFYSA-N 367.449 4.387 5 40 FIBB O=[N+]([O-])c1cc2c(cc1CN[C@@H](c1ccc(Cl)cc1)C1CC1)OCO2 61028599 YGOZOIDTXXHSJK-GOSISDBHSA-N 360.797 4.218 5 40 FIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 409213547 SBNLNLLPKOSQEU-YRNVUSSQSA-N 350.739 4.082 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(Br)=C/c1ccccc1 955922 SEFFRXGXRSMROR-ZROIWOOFSA-N 361.195 4.278 5 40 FIBB Cc1ccc(C(=O)[C@H](c2ccc(C)cc2)n2nc(C)c([N+](=O)[O-])c2C)cc1 5965587 BELGCFBESQEVTB-FQEVSTJZSA-N 363.417 4.497 5 40 FIBB Cc1c(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cccc1[N+](=O)[O-] 2196177 CZEFPIZJNFRTGU-UHFFFAOYSA-N 357.797 4.010 5 40 FIBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1 24929372 BBEVUGGHKDPSCS-UHFFFAOYSA-N 356.378 4.177 5 40 FIBB O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3C(F)(F)F)o2)cc1 32815447 PUMRZSBQKKLYSV-UHFFFAOYSA-N 365.267 4.243 5 40 FIBB COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC(F)F 32905592 JQOMMCWXAKHLQP-UHFFFAOYSA-N 372.711 4.111 5 40 FIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1Cl 3302545 ZYFYKRCJWWYRBJ-UHFFFAOYSA-N 370.586 4.368 5 40 FIBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 5579554 RYBGJIIDADXNQS-UHFFFAOYSA-N 370.386 4.188 5 40 FIBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(OC)c1O 6639690 QTVUURRKVMAJGS-SOFGYWHQSA-N 352.346 4.036 5 40 FIBB CCOc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1[N+](=O)[O-] 25161085 UDNPPEFGPDPVSG-IBGZPJMESA-N 354.406 4.183 5 40 FIBB O=C(COc1cccc2c1CCCC2)Nc1cc([N+](=O)[O-])ccc1Cl 224836902 WLVNLRCOYVIJHU-UHFFFAOYSA-N 360.797 4.145 5 40 FIBB Cc1cccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c1 226072704 LYSSAAKZJTWZRD-QFIPXVFZSA-N 354.514 4.326 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccc(C)cc4o3)nc12 57352703 BWUBZOHAXVTJIT-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C/c1ccc(OC(F)F)cc1 58102784 PSGKFHHLAUSCKT-WZUFQYTHSA-N 366.707 4.342 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c(F)c1 21576262 GPBUZHGDOHWRMN-JXMROGBWSA-N 369.396 4.376 5 40 FIBB COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c([N+](=O)[O-])c1 39892691 KZVIWGCXDIXBJN-UHFFFAOYSA-N 354.362 4.148 5 40 FIBB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 40068822 ZGALPXSWUCNAAM-LSDHHAIUSA-N 371.437 4.375 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 3435782 MNYPPGHVVGFHOU-UHFFFAOYSA-N 356.325 4.344 5 40 FIBB O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccc(F)c1 6660475 CMMBRTBUBKDWEN-UHFFFAOYSA-N 351.308 4.477 5 40 FIBB Cc1c(C(=O)OCc2csc(Nc3ccccc3)n2)cccc1[N+](=O)[O-] 32909984 VKMCLTADXDVFMW-UHFFFAOYSA-N 369.402 4.460 5 40 FIBB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc([N+](=O)[O-])c1 40107079 JNNAQDXHMBLHSW-UHFFFAOYSA-N 353.309 4.174 5 40 FIBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2 794880 XUNGHYMVYCTHPS-WXFOFVMLSA-N 356.530 4.451 5 40 FIBB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 2755984 GZUOQTBOZCIYDG-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COC(C)C 224721558 ODLXWFJEUFBDES-UHFFFAOYSA-N 372.421 4.479 5 40 FIBB COc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3)o2)c([N+](=O)[O-])c1 5034487 CSTOBYXYQRMDHF-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 7949757 VSZPVBAHPOXESF-UHFFFAOYSA-N 363.395 4.480 5 40 FIBB Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc2c(c1)NC(=O)CO2 63629730 ZEVVWYOZPRHWFP-UHFFFAOYSA-N 367.386 4.025 5 40 FIBB CCCCOC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1801429 LQFYEGZMPTYODH-ZHACJKMWSA-N 368.389 4.204 5 40 FIBB O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccccc1SC(F)F 8994019 JGCDMLQQXMAWIA-UHFFFAOYSA-N 372.324 4.066 5 40 FIBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1-c1ccc(CO)o1 20140952 XCOXGSWWSZFLTM-UHFFFAOYSA-N 366.373 4.216 5 40 FIBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1303720100 QNZFNWCPJRQNCJ-XPTSAGLGSA-N 362.735 4.053 5 40 FIBB C[N+]1(Cc2cc3c(cc2Cl)OCO3)CCc2[nH]c3ccccc3c2C1 1323372 CUTVRWJYIZPKLM-UHFFFAOYSA-N 355.845 4.253 5 40 FIBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 6243190 OKNGDPMZDQTMGO-GFCCVEGCSA-N 357.435 4.235 5 40 FIBB O=C(NCCCc1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 10542280 UKTBJFCOCCNHAJ-UHFFFAOYSA-N 353.205 4.264 5 40 FIBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 20140912 IOGLJRBPSOKHKR-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB COc1ccc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 36620415 XLMKAEUBEBBPNM-GOSISDBHSA-N 355.394 4.281 5 40 FIBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(OC)c1OC 6639935 DSODBYCJRFFLTE-VQHVLOKHSA-N 366.373 4.339 5 40 FIBB Cn1ccnc1[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccccc1 42109728 XYBRJOTXKGNPSI-SFHVURJKSA-N 359.389 4.078 5 40 FIBB O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(C2SCCCS2)cc1 55798018 ALZAKYHXJVJSDM-UHFFFAOYSA-N 374.487 4.394 5 40 FIBB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)n1 148522309 ODNBTGPALWVWMW-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB CCC1(CC)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 225265737 GTKDLUJXIYKVKQ-KRWDZBQOSA-N 354.406 4.407 5 40 FIBB O=C(c1ccccc1)[C@@H]1CCC[C@H](Sc2ccccc2[N+](=O)[O-])C1=O 3227035 GTDHNSRJYJDPCM-YOEHRIQHSA-N 355.415 4.308 5 40 FIBB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8718813 OREGKJMMFBCVPQ-UHFFFAOYSA-N 365.345 4.066 5 40 FIBB Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCCC3 973678 SKLXWNJMLDRXOT-UHFFFAOYSA-N 367.430 4.287 5 40 FIBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1Cl 4014311 WUKAGIKBWMONRX-UHFFFAOYSA-N 354.193 4.220 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cs1 12614529 ANBKANCQVQLGJY-UHFFFAOYSA-N 367.430 4.265 5 40 FIBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)o1 40074149 KQACWCGSJJWHEQ-UHFFFAOYSA-N 354.337 4.266 5 40 FIBB CC(C)Cc1ccc([C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 40158411 CAKRYRQHLJJLCG-FQEVSTJZSA-N 365.433 4.390 5 40 FIBB COc1ccc2oc(C)c([C@H](O)c3cc4cc([N+](=O)[O-])ccc4o3)c2c1 978293 RVZUDRQANCFFRC-LJQANCHMSA-N 353.330 4.486 5 40 FIBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2307803 BQVZFMJNLUQHJH-UHFFFAOYSA-N 369.428 4.084 5 40 FIBB O=[N+]([O-])C[C@H](OCCCCCCCCCCO)C(Cl)(Cl)Cl 5437248 OUWWQCMNINWUPO-LBPRGKRZSA-N 364.697 4.132 5 40 FIBB O=[N+]([O-])c1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1O 59474658 PRHWXOODYXOKBL-UHFFFAOYSA-N 361.401 4.326 5 40 FIBB Cc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br 97236714 VLRBYWQYBORKSQ-UHFFFAOYSA-N 353.147 4.057 5 40 FIBB CCCCc1nc2oc3cc(OC)ccc3c(=O)c2c2nc3ccccc3n12 5208367 XZRRLRAXDKTBDR-UHFFFAOYSA-N 373.412 4.493 5 40 FIBB O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Nc2ccccc21 28510818 ZHSFHKXWPHFPIZ-QGZVFWFLSA-N 351.387 4.177 5 40 FIBB C[C@@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 40155728 LEMMGXPLOBPUSQ-ZDUSSCGKSA-N 373.840 4.412 5 40 FIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1C 72228843 RBABTHHJDLDVPX-UHFFFAOYSA-N 362.813 4.445 5 40 FIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)c(C)nc21 2426195 PFELZZVCGUPGSF-CYBMUJFWSA-N 363.465 4.374 5 40 FIBB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3547672 PYNYEDFJFKFOEL-UHFFFAOYSA-N 362.769 4.066 5 40 FIBB O=c1cc(CNc2ccc3c(c2)OCCO3)c2c(ccc3ccccc32)o1 12542541 NUOLJGCITPJNQP-UHFFFAOYSA-N 359.381 4.330 5 40 FIBB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13391370 IPXUZRKDYUXNNH-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB O=C1OC(c2ccccc2Cl)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 13810490 KDNWHJOIFCLBMV-DORXXBADSA-N 354.749 4.149 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Cl)cccc1C(F)(F)F 7007701 ONCLZIXMZMRNNA-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB O=C(Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 9355160 OZAANFFSBFLBKG-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 223153226 RFZHQSRMJXQPCA-CQSZACIVSA-N 370.474 4.194 5 40 FIBB Cc1ccc(-c2nc(CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)no2)cc1 40497695 PBEGHSIDMVACHO-CQSZACIVSA-N 352.394 4.146 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc(Br)c1 4078804 FIAXALXVEYJIEO-GQCTYLIASA-N 353.197 4.071 5 40 FIBB O=[N+]([O-])c1ncccc1Oc1ncnc2sc(-c3ccccc3)cc12 7983385 UAEKVFDPLAWVDC-UHFFFAOYSA-N 350.359 4.454 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1nc(-c2ccccc2)oc1C 24502789 IYFGWEICEHXOHW-UHFFFAOYSA-N 351.362 4.048 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccs1 26231498 KUCHGTSJBKKLCJ-MRXNPFEDSA-N 359.451 4.130 5 40 FIBB Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)ccc1[N+](=O)[O-] 30223936 RQLQIHRUTZIWAD-UHFFFAOYSA-N 350.374 4.339 5 40 FIBB COCCn1c(SCc2cccc([N+](=O)[O-])c2C)nc2ccccc21 40122920 GVEYYVHGPGHMKI-UHFFFAOYSA-N 357.435 4.192 5 40 FIBB CCC[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 24777135 VCMKIWHMTIYTHG-LJQANCHMSA-N 355.438 4.445 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1[nH]nc2c1CCCC2 6423906 IZJMROWALIZVCV-UHFFFAOYSA-N 362.389 4.116 5 40 FIBB COc1ccc2cc(CNc3cc([N+](=O)[O-])ccc3OC)c(Cl)nc2c1 8705159 MFQKOHVABWMROV-UHFFFAOYSA-N 373.796 4.426 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 226072038 SPYPNLYLEOLZKJ-QHCPKHFHSA-N 362.493 4.370 5 40 FIBB COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn2C)cc1 12544533 UGRKMZUPRSZHKH-QGZVFWFLSA-N 372.812 4.192 5 40 FIBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1 808577 OTNDWWLVFUEGLJ-UHFFFAOYSA-N 360.325 4.188 5 40 FIBB COc1ccc(Cl)cc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] 14129649 FZZVWZKDAZUAKZ-UHFFFAOYSA-N 352.799 4.231 5 40 FIBB CCN(CC)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1 59489901 ILNPAUFZJUPUHS-NRFANRHFSA-N 369.465 4.362 5 40 FIBB Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(F)cc1 6994115 NXFVGPYAHMSWAK-UHFFFAOYSA-N 357.366 4.418 5 40 FIBB CC(C)(C)OC(=O)N1CCC[C@H](c2nc3ccccc3cc2[N+](=O)[O-])C1 14000407 HNIWIQSTBXSQNS-AWEZNQCLSA-N 357.410 4.258 5 40 FIBB CC1(C)CSC(N(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)=N1 27525217 CGIONQQVBGATTA-UHFFFAOYSA-N 369.446 4.166 5 40 FIBB COc1ccccc1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 32682148 AZMYYRBUTSALPZ-UHFFFAOYSA-N 371.271 4.143 5 40 FIBB O=C1CCc2cc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c(F)cc2N1 84421692 VUCWOCOPULFXEX-UHFFFAOYSA-N 369.377 4.409 5 40 FIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 24864669 YUWLIYULAGYIOU-INIZCTEOSA-N 367.449 4.024 5 40 FIBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 5050156 JBZVPYSEBKRAPR-UHFFFAOYSA-N 371.356 4.196 5 40 FIBB CN(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc([N+](=O)[O-])cc1 5205310 DADYFUFRBBOTIY-UHFFFAOYSA-N 358.353 4.083 5 40 FIBB O=[N+]([O-])c1ccc(/C=C/Sc2nnc3c(Cl)cc(Cl)cn23)o1 66776194 GJMUYNHNAROQLM-ONEGZZNKSA-N 357.178 4.300 5 40 FIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 14258311 ZHMATZHIWTYLIP-UHFFFAOYSA-N 355.177 4.471 5 40 FIBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 20140870 VWOLUHOEQLAUGQ-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB Nc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1[N+](=O)[O-] 6608019 IECHOZASSZBUOM-UHFFFAOYSA-N 373.368 4.235 5 40 FIBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 103445298 YJVLPSAQUIWGPP-HRAATJIYSA-N 371.481 4.236 5 40 FIBB COc1c(C)cccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 408622653 QIEIOIVDRPXIMH-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB Cc1ccc(Nc2cc(N3CCCC3)c3nonc3c2[N+](=O)[O-])c(C)c1 4817413 RUJRWFYNTRYBPZ-UHFFFAOYSA-N 353.382 4.092 5 40 FIBB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4868256 IRJDSEBXYXNPKG-HOTGVXAUSA-N 359.470 4.378 5 40 FIBB Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 6966950 DIKMSNNUGJMRIP-UHFFFAOYSA-N 353.422 4.392 5 40 FIBB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-] 7112796 VQTWHNDEBZRXEO-IBGZPJMESA-N 363.373 4.263 5 40 FIBB Cc1c(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] 10254474 ATLYVGVYHYMEIT-UHFFFAOYSA-N 367.405 4.156 5 40 FIBB C[N+]1(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCC1 16975527 NEFLNCCGYQUTMY-GPUVRGFBSA-N 370.557 4.135 5 40 FIBB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-] 659528 WZCYYQZTZBVMGS-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB C[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@H](C)c1ccccc1 2271384 CQQFLFFJZZXALL-KBPBESRZSA-N 372.377 4.490 5 40 FIBB COc1ccccc1Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 3494558 SNHWIPWAGHSQIF-UHFFFAOYSA-N 374.447 4.491 5 40 FIBB O=[N+]([O-])c1ccccc1N1CCN(c2ncc(-c3ccccc3)s2)CC1 72307763 NEAGYWOKXACFRA-UHFFFAOYSA-N 366.446 4.045 5 40 FIBB Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c2cccnc12 31093335 SDUTVJKPUQSZBH-UHFFFAOYSA-N 353.403 4.182 5 40 FIBB O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 39860698 BMQWKWGLNBBKQB-ZROIWOOFSA-N 360.778 4.489 5 40 FIBB O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1866104 GTOKLDKIVKHVEN-UHFFFAOYSA-N 363.325 4.033 5 40 FIBB CCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 2959605 MVRSHDMXZHOXDM-UHFFFAOYSA-N 364.474 4.044 5 40 FIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 3263874 FIUWSSHESMWIPE-UHFFFAOYSA-N 367.792 4.490 5 40 FIBB Cc1cccc(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])c1 5100182 YLDCFAZZPJAWPD-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 25014874 DPTXSNQSPJURGJ-UHFFFAOYSA-N 356.407 4.020 5 40 FIBB Cc1ccc(-c2ncc(C(=O)NCc3ccccc3[N+](=O)[O-])s2)c(C)c1 61162574 DRMFUFSOLOYBBF-UHFFFAOYSA-N 367.430 4.265 5 40 FIBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1 72229095 AZTTURPNRAEMTP-UHFFFAOYSA-N 359.813 4.491 5 40 FIBB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205659369 DDNPZTVMLHLVQW-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB Cc1ccc2[nH]c3c(cc(O)c4c(=O)c5ccccc5c(=O)c43)sc2c1 4497804 BNLGIWVQPZIDLU-UHFFFAOYSA-N 359.406 4.423 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(-c2ccccc2)nc1C 17334684 AUYQERWDXDVBNR-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 31082445 STWPRNUBUMENCD-UHFFFAOYSA-N 360.675 4.399 5 40 FIBB O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C1CCCC1)C1CC1 64906978 XTWQFVWKXHTRQE-UHFFFAOYSA-N 357.435 4.266 5 40 FIBB CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 5856489 NSELKIXVZIBTJM-UHFFFAOYSA-N 367.405 4.040 5 40 FIBB O=[N+]([O-])c1cc(Cl)ccc1-n1nccc1CCOCc1ccccc1 95218146 XLLJJCXBJAKCKW-UHFFFAOYSA-N 357.797 4.193 5 40 FIBB O=C(COc1ccc2c(c1)CCCC2)Nc1cc([N+](=O)[O-])ccc1Cl 222857168 NHSWUNVYYVXBEA-UHFFFAOYSA-N 360.797 4.145 5 40 FIBB CCn1c(-c2ccc(OC)cc2)csc1=Nc1cccc([N+](=O)[O-])c1 254794440 AQPFJINITVJYRM-UHFFFAOYSA-N 355.419 4.386 5 40 FIBB Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 12560353 QCHVMTVYKRLPTA-INIZCTEOSA-N 360.776 4.322 5 40 FIBB Cc1c(NC(=O)CCN2CCC[C@H]2c2cccs2)cccc1[N+](=O)[O-] 26231546 VOYKQRSFHICTSU-INIZCTEOSA-N 359.451 4.130 5 40 FIBB CCc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1[N+](=O)[O-] 5269598 DQHLUWXKPXZEJI-NTEUORMPSA-N 352.346 4.314 5 40 FIBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 7706110 CLEHDXLSUXKZCQ-OCHBPSSRSA-N 367.430 4.437 5 40 FIBB Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 8025844 ZQNWAOYHMQWBDJ-UHFFFAOYSA-N 373.840 4.412 5 40 FIBB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 35671933 YYODSGAWAXCGHZ-UHFFFAOYSA-N 351.362 4.427 5 40 FIBB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 20495965 FKQWMGSTRKAYGM-UHFFFAOYSA-N 352.350 4.021 5 40 FIBB COc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 5034486 VQZCEZXCFXOKDB-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB CNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 8391168 ONFJSSDILIZZJM-UHFFFAOYSA-N 354.391 4.012 5 40 FIBB CCOc1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 217871922 ZPVZUEMBZTZOTP-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 225288885 FBXLXACLEBKPFX-HNNXBMFYSA-N 362.813 4.446 5 40 FIBB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(Cl)c([N+](=O)[O-])c1 5672091 BDBWNTKFEIHIOA-UHFFFAOYSA-N 360.174 4.003 5 40 FIBB NC(=O)c1ccc(Oc2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 2726141 VBYCLLZHPJHSRF-UHFFFAOYSA-N 350.330 4.278 5 40 FIBB O=[N+]([O-])c1cccc(COc2ncnc3c(Cl)cc(Cl)cc23)c1 3620895 GBFMFUPSEDGSGA-UHFFFAOYSA-N 350.161 4.424 5 40 FIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 9141715 YFTCHONQQPSGRB-UHFFFAOYSA-N 359.140 4.302 5 40 FIBB Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 12519901 ZOHXGZYXYOYOCK-MRXNPFEDSA-N 360.776 4.322 5 40 FIBB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 20450880 VXUIQIVMRCAQRW-BJMVGYQFSA-N 374.780 4.077 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1NC1CCCC1 20898081 CANSWISTGZPVHN-UHFFFAOYSA-N 351.366 4.061 5 40 FIBB COc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1 5033333 PZLOMMDPNHMMFZ-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB CCc1cccc(C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12516996 CCVRFFJNQUTZMV-UHFFFAOYSA-N 367.449 4.321 5 40 FIBB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 2740245 VAPLLNPBQVVICQ-FPYGCLRLSA-N 365.158 4.148 5 40 FIBB CC1CCN(c2ccc(C(=O)Nc3ccccc3F)cc2[N+](=O)[O-])CC1 4900068 GKULSZZOQUKTES-UHFFFAOYSA-N 357.385 4.223 5 40 FIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 24977377 JYNHZFVNNOZKTO-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB O=[N+]([O-])c1cc(Br)c(N2CCCCC2)c(Br)c1 215787999 SVANIMFQRSYEIZ-UHFFFAOYSA-N 364.037 4.110 5 40 FIBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1 4129795 JXDLROZWHJNPBO-UHFFFAOYSA-N 360.348 4.168 5 40 FIBB O=C(c1ccc([N+](=O)[O-])o1)N1CCc2sccc2[C@@H]1c1ccccc1 25896521 OLIYEFGSAKQVHP-KRWDZBQOSA-N 354.387 4.037 5 40 FIBB O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1 3454039 DRNQKLUHLUYHPV-UHFFFAOYSA-N 371.443 4.449 5 40 FIBB aggregator CC(C)n1ccnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8720068 MATFDIYFVSPFCZ-SNVBAGLBSA-N 368.846 4.145 5 40 FIBB CN(C)c1cc(Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c2nonc12 5033774 CDUUTVLTNZKNTJ-UHFFFAOYSA-N 368.180 4.247 5 40 FIBB O=Cc1ccc(-c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)o1 113854851 CQRFHIKPVMTCNK-UHFFFAOYSA-N 351.314 4.024 5 40 FIBB O=C(NC1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl 95432332 AGWSKUYWTZBJQL-UHFFFAOYSA-N 361.623 4.073 5 40 FIBB Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cc(-c2ccccc2)on1 95941721 QSZIXARBJWHBKC-UHFFFAOYSA-N 371.780 4.142 5 40 FIBB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 846068 NBPTWJJHWLUTAB-UHFFFAOYSA-N 366.354 4.197 5 40 FIBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(Cc2ccccc2)CC1 2742239 BJUUVPGIGBHHHV-UHFFFAOYSA-N 358.825 4.343 5 40 FIBB Cc1ccc(NC(=O)Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3348547 PSGNUYOFUSLLIZ-UHFFFAOYSA-N 353.403 4.208 5 40 FIBB Cc1nc(N(C)Cc2ccccc2[N+](=O)[O-])c2c3c(sc2n1)CCC3 48237921 DYQKCGVAZQUOML-UHFFFAOYSA-N 354.435 4.033 5 40 FIBB Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)co1 12980567 BCUWPOOGEAGRTC-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1c(F)cccc1F 72302494 DTJJTQCMDMOHFS-CJNGLKHVSA-N 356.756 4.451 5 40 FIBB CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCc2ccccc21 18935272 IEUQQTWIFDEDLS-GOSISDBHSA-N 373.840 4.196 5 40 FIBB Cc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] 6964091 SBTMTRPICDUTJF-UHFFFAOYSA-N 353.422 4.392 5 40 FIBB C[C@@H]1[C@@H](OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)[C@H]2CC[C@H]1C2(C)C 245240484 WQRGKEDCBMXHEN-LHLZYUOTSA-N 372.573 4.245 5 40 FIBB CCCCOc1ccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)cc1 5250186 LJHBDZYWXURDDV-UHFFFAOYSA-N 361.401 4.164 5 40 FIBB CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3556259 SERSSRLARBTTES-UHFFFAOYSA-N 362.769 4.067 5 40 FIBB Cc1cc(C)cc(OCc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)c1 19928343 OELFYSHNUPDNTF-UHFFFAOYSA-N 371.418 4.466 5 40 FIBB Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 3438035 GQJSOYCZCVFVEF-UHFFFAOYSA-N 353.205 4.183 5 40 FIBB CCn1c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 8807483 IZVKRILTCRZCEB-LBPRGKRZSA-N 370.434 4.084 5 40 FIBB CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 223744476 IMJVZSTWYVCQRK-UHFFFAOYSA-N 362.813 4.180 5 40 FIBB O=c1c2ccccc2nc2c3ccccc3c(NCCc3ccccc3)nn12 952457 NIFBMUDQIUWNRK-UHFFFAOYSA-N 366.424 4.051 5 40 FIBB O=C1N=C(O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 1863034 HMNVMVICMBEWDL-DHDCSXOGSA-N 356.359 4.338 5 40 FIBB N=C(N)SCc1cccc2ccc3cccc(CSC(=N)N)c3c12 5742938 HKXWHBACFMOSTQ-UHFFFAOYSA-N 354.504 4.246 5 40 FIBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc2ccccc12 5777433 LXBFNPVOQDJLKA-UHFFFAOYSA-N 369.377 4.014 5 40 FIBB C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 32806318 CRRQESODQUEYKL-SNVBAGLBSA-N 350.300 4.434 5 40 FIBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 104145992 BFZTUMLBYZXNHR-LXIYXOSZSA-N 362.382 4.122 5 40 FIBB Cc1c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cccc1[N+](=O)[O-] 222991294 MOEMXDUAMSBKBN-CQSZACIVSA-N 354.406 4.188 5 40 FIBB CC(C)NC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975879 OQYGCRLCZKOXIR-UHFFFAOYSA-N 367.412 4.018 5 40 FIBB O=c1c(Cl)c(Cl)cnn1Cc1nc2ccccc2c2ccccc12 6589555 NFLBLHHOKZBFFZ-UHFFFAOYSA-N 356.212 4.300 5 40 FIBB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1[N+](=O)[O-] 7113464 MXVKHQGVZKVKQT-OAHLLOKOSA-N 365.311 4.032 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cc2ccncc2)cc1 11700964 PPXDLVFKTQMJII-BJMVGYQFSA-N 359.385 4.233 5 40 FIBB O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 25578330 RMJDHTQVMOYEKR-QGZVFWFLSA-N 366.396 4.468 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[N@]1Cc1ccccc1 2038184414 AAIHEZGNYXLYBB-GIWBLDEGSA-N 358.397 4.403 5 40 FIBB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] 1509413 DCDAVVAKPJDBOT-JYRVWZFOSA-N 363.156 4.246 5 40 FIBB O=C(CSc1nc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1Cl 3465770 WGBJCLLMAHBIFH-UHFFFAOYSA-N 363.782 4.120 5 40 FIBB CCCCCc1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 12910692 MKCANRRJKFJCPT-UHFFFAOYSA-N 353.378 4.128 5 40 FIBB Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4s3)cn12 1306118 ARNKBBACPFTWFW-UHFFFAOYSA-N 356.432 4.453 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(Cl)cc1Cl 2757250 YIFHWTPDLWBXNZ-QPJJXVBHSA-N 351.189 4.231 5 40 FIBB Cc1cc2oc(=O)cc(COC(=O)c3ccc([N+](=O)[O-])o3)c2cc1C(C)C 3510410 JFFDHBAGRWCDRM-UHFFFAOYSA-N 371.345 4.083 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 5771190 UMCMMWRFCDCUOO-UHFFFAOYSA-N 358.703 4.448 5 40 FIBB O=[N+]([O-])c1cc2c(cc1CN[C@H](c1ccc(Cl)cc1)C1CC1)OCO2 72276817 YGOZOIDTXXHSJK-SFHVURJKSA-N 360.797 4.218 5 40 FIBB CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 217893906 JBZXOEVZVCWXFQ-JLHYYAGUSA-N 368.433 4.144 5 40 FIBB Cc1cc(C)c(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C 3367159 ANQUUQZHNNYNFZ-UHFFFAOYSA-N 361.781 4.213 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 12972327 NUPVXJRHOIOROG-AWEZNQCLSA-N 367.430 4.224 5 40 FIBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 23227818 BKBRCCJQINZBEZ-GFCCVEGCSA-N 353.403 4.262 5 40 FIBB O=C(Nc1ccc(Br)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990972 RMXFINIIFYRBCC-UHFFFAOYSA-N 361.195 4.028 5 40 FIBB O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 25578336 RMJDHTQVMOYEKR-KRWDZBQOSA-N 366.396 4.468 5 40 FIBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccco1 408846830 RLLMCLNNFUCTLK-YRNVUSSQSA-N 374.761 4.400 5 40 FIBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6269009 CNPPNZLTUUHCLO-UHFFFAOYSA-N 363.776 4.240 5 40 FIBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F 12554944 LOBXVCHTTWBPJP-UHFFFAOYSA-N 351.765 4.218 5 40 FIBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(F)(F)F)C1 10286167 ODLCCWFKPIUSET-LBPRGKRZSA-N 368.311 4.269 5 40 FIBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 225865816 DWWQIHSNFRFOHW-UHFFFAOYSA-N 369.421 4.147 5 40 FIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccc(F)cc1)C3 20392687 XCCNXIKYLKLURQ-UHFFFAOYSA-N 361.372 4.437 5 40 FIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(c1)CCCC2 32868870 YSPLLMWRUGXVJC-UHFFFAOYSA-N 358.825 4.399 5 40 FIBB COc1ccc(N(C)C(=O)Nc2cc3cccnc3c3ncccc23)cc1 6356984 LKEYUWDCXSWCDW-UHFFFAOYSA-N 358.401 4.460 5 40 FIBB Cc1cccc(CN2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 9063062 RPLFQAGUZHAYTP-UHFFFAOYSA-N 367.449 4.062 5 40 FIBB Cc1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229118 ZQINOJIUEOQPJZ-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB Nc1nc(-c2cccc(Br)c2)cc(-c2cccc([N+](=O)[O-])c2)n1 71977572 XBHSKYRFLRMBPD-UHFFFAOYSA-N 371.194 4.064 5 40 FIBB Cc1ccc(-n2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2445383 MJIAFLTYRQJKJM-UHFFFAOYSA-N 370.364 4.061 5 40 FIBB COc1cc([C@@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 4811735 LNPSHGRRTSMRLN-NRFANRHFSA-N 365.385 4.361 5 40 FIBB Cc1ccc(Nc2nc(COc3ccc(C)nc3[N+](=O)[O-])cs2)cc1 6831805 KNCVBUJUQGVOLJ-UHFFFAOYSA-N 356.407 4.386 5 40 FIBB O=[N+]([O-])c1cc(F)c(N2CCc3sccc3C2)c(Br)c1 72301799 WKGJMFXYVQDCQR-UHFFFAOYSA-N 357.204 4.121 5 40 FIBB Cc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)s1 408916905 IKQDVTKOZFPMDD-RIYZIHGNSA-N 360.416 4.201 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cc2ccncc2)cc1 15941050 DGAGASAMQMLEKC-RMKNXTFCSA-N 359.385 4.233 5 40 FIBB CCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408567057 KSHGJCRNGAWLBP-PKNBQFBNSA-N 370.405 4.434 5 40 FIBB COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Br)cc1 701951 MDBVXDVXNUUTGD-UHFFFAOYSA-N 368.208 4.295 5 40 FIBB Cc1ccc(NC(=O)[C@H]2CCCN2Sc2ccccc2[N+](=O)[O-])c(C)c1 1059744 PXTBJOKUDLPNDS-QGZVFWFLSA-N 371.462 4.322 5 40 FIBB CC[n+]1c(-c2ccccc2)c2cc(NCCCN)ccc2c2ccc(N)cc21 1559822 YSJRYPBKLMTXLA-UHFFFAOYSA-O 371.508 4.310 5 40 FIBB CCCOc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 17073760 OEANKCGDEYJNGY-UHFFFAOYSA-N 357.391 4.246 5 40 FIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F 27359001 STHBMMVQLNKXDS-AWEZNQCLSA-N 350.321 4.077 5 40 FIBB C/C(=C\c1ccccc1OC(=O)c1ccc(Br)cc1)[N+](=O)[O-] 33787056 GEFLMBVFCWKCOY-ZHACJKMWSA-N 362.179 4.306 5 40 FIBB O=[N+]([O-])c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 5347072 DUQKSSABMIQRDX-UHFFFAOYSA-N 357.782 4.081 5 40 FIBB O=c1c2cc(Br)ccc2oc2ccc(Br)cc12 5887054 AOOPYZBRENDMPN-UHFFFAOYSA-N 353.997 4.471 5 40 FIBB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8480582 AGXRBPFEFZQRKF-AWEZNQCLSA-N 364.785 4.053 5 40 FIBB O=C(COc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1Cl 10860546 HSNIVZVCWAGNMR-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB Nc1nc(Sc2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)CCCC3 5939375 DDDYTIACIANPNM-UHFFFAOYSA-N 358.448 4.212 5 40 FIBB Cc1cccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1[N+](=O)[O-] 57369150 BRBGLQAKPQCOSV-OAHLLOKOSA-N 370.405 4.103 5 40 FIBB C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3ccsc3)cc2[N+](=O)[O-])C1 32741264 NWHSJIVMPDPSBM-AWEZNQCLSA-N 373.478 4.165 5 40 FIBB COc1ccc([N+](=O)[O-])cc1COC(=O)c1[nH]c2ccccc2c1Cl 46767441 NIFGLWDGAZJDNA-UHFFFAOYSA-N 360.753 4.095 5 40 FIBB O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1[N+](=O)[O-] 5034610 WFUCXILQJOZZBS-UHFFFAOYSA-N 363.395 4.074 5 40 FIBB CC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1c(F)cccc1F 72302493 DTJJTQCMDMOHFS-BBRMVZONSA-N 356.756 4.451 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc(Oc2ccccc2)cc1 1473188 PGARVRAFCNKDLY-UHFFFAOYSA-N 365.341 4.372 5 40 FIBB CCc1nc2ccccc2c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1C 3247730 HTPIWKRLMMPDIB-UHFFFAOYSA-N 350.374 4.371 5 40 FIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3515401 YZLRCCRSXMRVGF-SNVBAGLBSA-N 354.284 4.020 5 40 FIBB O=[N+]([O-])c1ccc2cnn(Cc3c(-c4ccccc4)nc4ccccn34)c2c1 5267771 ZEUBOWIOSAAXBU-UHFFFAOYSA-N 369.384 4.308 5 40 FIBB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 7814223 TVOBFAZYFQLAPY-UHFFFAOYSA-N 369.465 4.115 5 40 FIBB CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(F)c1 17130840 KIBFJBNLNKMVEM-LVWGJNHUSA-N 374.371 4.234 5 40 FIBB CCOC(=O)Cc1c(CC(=O)OCC)c2ccccc2c2ccccc12 1715442 MALCZXVGXXBQHX-UHFFFAOYSA-N 350.414 4.204 5 40 FIBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c2sc3c(c12)CCCC3 4032234 JODHRIIOPBMRFC-UHFFFAOYSA-N 373.459 4.064 5 40 FIBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)c3cccs3)ccc12 5548493 FXZOIKXZAXCRPT-UHFFFAOYSA-N 352.367 4.236 5 40 FIBB COc1ccc(C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 8711033 DEESNUSXROKKST-UHFFFAOYSA-N 372.424 4.110 5 40 FIBB O=[N+]([O-])c1cccc(NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 17073885 QKQDYYGSNQVPFO-UHFFFAOYSA-N 358.206 4.416 5 40 FIBB CC(C)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 25928123 AWOLPUUGUZIDOM-INIZCTEOSA-N 358.423 4.193 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1NCc1ccccc1 8587173 DMZSKSTXAKGSBL-UHFFFAOYSA-N 373.372 4.319 5 40 FIBB CN(C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 6226617 SFSRBUISHWTTPN-UHFFFAOYSA-N 351.362 4.173 5 40 FIBB O=C(NCCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 10542388 SDHMQJCTIFJEQG-UHFFFAOYSA-N 353.205 4.264 5 40 FIBB C[C@@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1C 26354279 QQFXMJRGSYGKQY-MDZRGWNJSA-N 362.473 4.096 5 40 FIBB Cc1c(O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3cnn(C(C)C)c3nc12 96114718 SSPFEXILPJXPKF-UHFFFAOYSA-N 374.400 4.281 5 40 FIBB biogenic COc1ccc2oc(C)c([C@@H](O)c3cc4cc([N+](=O)[O-])ccc4o3)c2c1 978294 RVZUDRQANCFFRC-IBGZPJMESA-N 353.330 4.486 5 40 FIBB O=c1cc(N2CCCCC2)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1 1581409 QPCIBQMPCWRYNX-UHFFFAOYSA-N 372.424 4.087 5 40 FIBB CC(C)(C)c1cc(CCC(=O)OCC[N+](C)(C)C)cc(C(C)(C)C)c1O 1787197 NUGULMFDUCMPKE-UHFFFAOYSA-O 364.550 4.169 5 40 FIBB O=C(Nc1ccc(F)cc1)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 3530755 XTNOVIDASGLRRR-IBGZPJMESA-N 366.348 4.493 5 40 FIBB Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 1621489 IJDCEAZPZJSEPS-UHFFFAOYSA-N 369.398 4.338 5 40 FIBB Cn1c(=O)c2ccccc2n2c(C(=O)c3cccs3)c3ccccc3c12 5021844 KOBYWNGFNZTDPZ-UHFFFAOYSA-N 358.422 4.237 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708483 LLHQOBOZDDRIFJ-ZDUSSCGKSA-N 366.373 4.163 5 40 FIBB O=C(Nc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])s1 9500857 UZJIPIPSUGDNGO-UHFFFAOYSA-N 361.604 4.325 5 40 FIBB C[N+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@H](c2ccccc2)C1 1251686 ZGCCWLQRVUYKHK-QHELBMECSA-N 366.481 4.055 5 40 FIBB CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 6636581 VWCGHDZFBVRBBM-VOTSOKGWSA-N 354.450 4.425 5 40 FIBB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 224416554 AUCUTTRKKSMYPZ-LJQANCHMSA-N 354.406 4.270 5 40 FIBB O=[N+]([O-])c1ccccc1Sc1cc2c(N3CCCC3)ncnc2s1 3191186 QKPLXTDQPRNKAD-UHFFFAOYSA-N 358.448 4.351 5 40 FIBB Cc1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1[N+](=O)[O-] 11228545 IAPMVPYZRMUTQG-UHFFFAOYSA-N 352.434 4.388 5 40 FIBB COc1ccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4181381 CWBPGOGMOCQZEF-UHFFFAOYSA-N 356.300 4.113 5 40 FIBB CCN(CC)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 6629923 BQAJHNPSEGPGED-UHFFFAOYSA-N 357.410 4.010 5 40 FIBB CCCCOc1ccc(OC)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 28018478 NJMDJVARDBQREQ-UHFFFAOYSA-N 364.423 4.405 5 40 FIBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COC(C)C 224431058 JDLPPOOKQUXKJD-UHFFFAOYSA-N 358.394 4.089 5 40 FIBB COc1ccc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)c(OC)c1 96221013 SAKMWORZBVWESJ-UHFFFAOYSA-N 361.357 4.247 5 40 FIBB biogenic Cc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1 4600851 XELXDHWPPRQJDF-CMDGGOBGSA-N 369.446 4.046 5 40 FIBB Cc1sc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 74411127 SSPRYZZKLSAJAJ-UHFFFAOYSA-N 353.403 4.207 5 40 FIBB Cc1cc(NSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n(-c2ccccc2)n1 3140319 MRTWXLGEQDNKQC-UHFFFAOYSA-N 371.378 4.116 5 40 FIBB O=C(Oc1cccn2cc(-c3ccc([N+](=O)[O-])cc3)nc12)c1ccccc1 5286309 JFFTYZNXJQECQN-UHFFFAOYSA-N 359.341 4.129 5 40 FIBB CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2c(C)cccc2s1 5938552 XTZBHLUJBPDDFZ-UHFFFAOYSA-N 355.419 4.488 5 40 FIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(Cl)c1 1515608 DZXIVAKBLVHBPM-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB COc1ccc(NC(=O)CCCSc2ccc(F)cc2)c([N+](=O)[O-])c1 10218131 LNSBMRWOVHBOTD-UHFFFAOYSA-N 364.398 4.254 5 40 FIBB Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)c2ccccc2)c1 1512381 UQHQNPCJGKWCRD-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB COc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 5034495 DKAMGRPRXGRCMQ-UHFFFAOYSA-N 368.345 4.124 5 40 FIBB CC(C)CCOc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 5446206 GMGCCJCSTUKUJS-UHFFFAOYSA-N 358.394 4.037 5 40 FIBB C[C@@H](Sc1nnc(Cc2cccs2)n1C)c1cccc([N+](=O)[O-])c1 7822124 RKWKJJKNZFDODH-LLVKDONJSA-N 360.464 4.229 5 40 FIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1c[nH]c2ccccc12 15178832 WJBYQDCXNLDJFO-CQSZACIVSA-N 351.406 4.228 5 40 FIBB Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1C(=O)O 20140503 CLGMIWIUIROKGH-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB Cc1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1C 32777248 VBVBIWMZFIWVJM-UHFFFAOYSA-N 357.391 4.084 5 40 FIBB O=[N+]([O-])c1c(N[C@H]2CCCc3cc(OC(F)F)ccc32)nc2ccccn12 58555757 WTUYLMZYHXLZIU-AWEZNQCLSA-N 374.347 4.333 5 40 FIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccnc1Cl 3345937 BENPAPPRSSRUEB-UHFFFAOYSA-N 365.772 4.352 5 40 FIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 210199572 IQLNBKWDZQTQBZ-RIYZIHGNSA-N 360.778 4.489 5 40 FIBB O=C1C2=C(CCCC2)[C@@H](Nc2ccccc2[N+](=O)[O-])N1Cc1ccccc1 6548512 RUOLHLMPFHZPPC-FQEVSTJZSA-N 363.417 4.246 5 40 FIBB COc1ccc([N+](=O)[O-])cc1OCc1ncc(-c2ccc(Cl)cc2)o1 8225151 ZMJNRIJTRFCDRC-UHFFFAOYSA-N 360.753 4.491 5 40 FIBB O=C(Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 8470783 SWNLQYJVZMIMHP-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB Cc1c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 30116310 MGQWGCGXEXRTKK-LLVKDONJSA-N 352.312 4.413 5 40 FIBB COc1ccc(OC)c(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)c1 59474341 NKNRBJOJILAYIS-UHFFFAOYSA-N 374.392 4.389 5 40 FIBB CC(C)CCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)O)cc1 6651452 PRRUNXABCVLDEV-VMPITWQZSA-N 356.378 4.283 5 40 FIBB CN1/C(=C\[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21 5123809 IVZMWOLSZWXFMQ-UWOKGBPVSA-N 366.417 4.087 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 3560949 ZKKMTBXYXMGKDW-XCVCLJGOSA-N 352.268 4.145 5 40 FIBB O=C(CSc1nccn1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 15825369 GCKSGIWMYWVSRX-UHFFFAOYSA-N 360.439 4.027 5 40 FIBB CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1 608300 NGOHTJBYABHJKF-UHFFFAOYSA-O 362.497 4.426 5 40 FIBB in-man CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 843990 HTDDPSYPJLGOCU-UHFFFAOYSA-N 365.345 4.066 5 40 FIBB O=C(Cc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4507990 ZZBHVJZXAJDFSV-UHFFFAOYSA-N 369.602 4.192 5 40 FIBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCCC1 5603720 NQILPIQPLYPTRC-CXAGYDPISA-N 374.466 4.003 5 40 FIBB COC(=O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO[C@@H]21 6950742 SESGWGMTKFMFLC-DKSSEZFCSA-N 368.389 4.016 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C 217876549 KGOKARYHWMRIFT-INIZCTEOSA-N 354.406 4.244 5 40 FIBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 4134071 ZRYNSGZTIOIMKJ-UHFFFAOYSA-N 361.353 4.302 5 40 FIBB Cc1c(Cl)cccc1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C 4657252 OUJQKYINSSYRJG-UHFFFAOYSA-N 371.224 4.134 5 40 FIBB Cc1ccc(OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c([N+](=O)[O-])n1 4891995 XWNYLTZTOHRPLI-UHFFFAOYSA-N 368.389 4.415 5 40 FIBB O=C1S/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 5201156 GZJUPPXCBRBOQH-RFEFPKJKSA-N 352.371 4.392 5 40 FIBB COc1ccc([C@@H]2CCCN2c2ccc(C(C)=O)cc2[N+](=O)[O-])c(OC)c1 7366017 NGUJVOUBJGDSGY-KRWDZBQOSA-N 370.405 4.156 5 40 FIBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccccc1 408566338 FKBSHXTZTONYPK-INIZCTEOSA-N 374.853 4.339 5 40 FIBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 650207 DFOWPHGHFDEOAO-UHFFFAOYSA-N 370.670 4.068 5 40 FIBB C[C@@H](CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1ccccc1 2056477 CGWGAXCMKXHXDF-CQSZACIVSA-N 372.377 4.319 5 40 FIBB O=C(Nc1ccc2ccccc2c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 4537820 YUCYBPXULNURIQ-UHFFFAOYSA-N 360.325 4.107 5 40 FIBB Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 9532516 JXKVOAQANRGLBX-UHFFFAOYSA-N 360.826 4.336 5 40 FIBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1 20357316 UXYPUGZJWZYAAE-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(Cl)c1 72111952 ALXKRPMKDCVUEP-OAHLLOKOSA-N 360.797 4.361 5 40 FIBB O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 106685552 CFZGNMFBTRXDGD-DHDCSXOGSA-N 374.805 4.485 5 40 FIBB COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cc12 21657990 KJCYDSRQIYMEFK-UHFFFAOYSA-N 372.764 4.015 5 40 FIBB O=C1C2=C(CCCC2)[C@H](Nc2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 4599458 YPXKPDOYACCRHB-HXUWFJFHSA-N 363.417 4.246 5 40 FIBB O=[N+]([O-])c1cc(CNc2ccc(Br)c(Cl)c2)ccc1O 408555740 IEBCXQRMCBJYQQ-UHFFFAOYSA-N 357.591 4.328 5 40 FIBB COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 7641451 NGAQFKFRONYYQQ-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc([N+](=O)[O-])c1 948639 VHJNFIQLAUUAOV-UHFFFAOYSA-N 367.361 4.072 5 40 FIBB CN(Cc1cccs1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 6831615 ZZCIYLZCYMFHHD-UHFFFAOYSA-N 373.478 4.309 5 40 FIBB COc1ccccc1-n1cnnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 7207448 OXXYPGFYWCCKQG-LBPRGKRZSA-N 356.407 4.037 5 40 FIBB O=c1ccc(-c2cccc3ccccc23)nn1Cc1ccc([N+](=O)[O-])cc1 10220819 NNKAGYKYBUHMOS-UHFFFAOYSA-N 357.369 4.020 5 40 FIBB O=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C2(CCCC2)C(=O)C12CCCCC2 1075650 FCTJCRZZPMYNRS-INIZCTEOSA-N 357.406 4.273 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(C)cc1Cl 3342737 IKPUMSRFZLUDQZ-NSHDSACASA-N 363.801 4.004 5 40 FIBB CCOc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC 13668831 BANMTGCSBDVQBO-CQSZACIVSA-N 372.421 4.192 5 40 FIBB CCc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106727233 RFFUERBABKSHNJ-BOPFTXTBSA-N 368.414 4.394 5 40 FIBB CC(C)(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 57138749 YZJGXEDOISIBJP-UHFFFAOYSA-N 373.375 4.063 5 40 FIBB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 3400172 BJGHHVKILBKIDP-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB Cc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1[N+](=O)[O-] 6558656 WAAYSNNXWZJKSZ-UHFFFAOYSA-N 356.403 4.400 5 40 FIBB O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991132 MOCGVFSPMUZFCX-UHFFFAOYSA-N 350.296 4.284 5 40 FIBB Cc1nc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n(C[C@H]2CCCO2)c1C 20990240 KCKOYADQOAYSOL-WMLDXEAASA-N 361.467 4.440 5 40 FIBB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 670428 WMMPFLHWRIVKEV-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB CCOc1ccc(-c2cnc(NCc3cccc([N+](=O)[O-])c3)n2C)cc1 819167 CXJPQCMWMUGXTE-UHFFFAOYSA-N 352.394 4.006 5 40 FIBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2[N+](=O)[O-])C1 4900074 XJPYRADJOXCUDY-ZDUSSCGKSA-N 357.385 4.223 5 40 FIBB CC(C)C[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12545045 QDOWFFFZXYKIPG-INIZCTEOSA-N 350.462 4.048 5 40 FIBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C2CC2)cc1 13010445 DTKHALMNZGDQSC-HNNXBMFYSA-N 368.433 4.353 5 40 FIBB O=C(Nc1cccc(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97165908 SDFNOBPEMDXDKS-UHFFFAOYSA-N 350.324 4.212 5 40 FIBB CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1-c1ccc(F)cc1 2439705 ZSSIULNDZHOIJX-UHFFFAOYSA-N 366.417 4.052 5 40 FIBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(O)cc1 9422686 UVIBNSMSNJRBQN-IBGZPJMESA-N 361.357 4.072 5 40 FIBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccc(Cl)c2)o1 408606122 OIEPILBWSAHPMF-UHFFFAOYSA-N 361.766 4.262 5 40 FIBB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 18194255 ZWVCKBGYTKRLKO-UHFFFAOYSA-N 361.357 4.470 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cs1 12613784 UEGUBZLCJUTNEC-UHFFFAOYSA-N 367.430 4.265 5 40 FIBB CCCC[C@H](CC)C(=O)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 89953311 GNXCFYMRUYAVPN-HNNXBMFYSA-N 372.469 4.468 5 40 FIBB CCC[C@H](C)Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 40049863 ZUMZLFGGFIAQRX-ZDUSSCGKSA-N 370.405 4.213 5 40 FIBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1[N+](=O)[O-] 4070832 QVYLUBXLUYMNJH-UHFFFAOYSA-N 351.387 4.069 5 40 FIBB Nc1c(Br)cc2c(oc(=O)c3ccccc32)c1Br 1609899 XBZDTRQGTZUNFD-UHFFFAOYSA-N 369.012 4.053 5 40 FIBB Nc1nc(Nc2cccc(Cl)c2)nc(Nc2ccccc2F)c1[N+](=O)[O-] 5066534 FYXXOPWEJYFVDO-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB Cc1nccn1Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 30945848 IFJRNYUQOKVNED-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Cl 41690083 WJVGHGOYDUSZCJ-MRXNPFEDSA-N 355.285 4.010 5 40 FIBB COc1ccc([C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)cc1 1306224 PFTZAIRXBHPFGC-XZOQPEGZSA-N 368.497 4.310 5 40 FIBB C[C@H](CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1ccccc1 2056476 CGWGAXCMKXHXDF-AWEZNQCLSA-N 372.377 4.319 5 40 FIBB CCOc1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 2642250 VAJZSNPMBMKEJF-RMKNXTFCSA-N 369.402 4.255 5 40 FIBB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])o1 9295465 GDIZFQAGSNHPBG-SOFGYWHQSA-N 354.318 4.328 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(OCc2cccnc2)c1 79404531 CMMKDVXQNFYEMV-UHFFFAOYSA-N 364.361 4.213 5 40 FIBB CCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1 408559303 VBBLCSNQODCCCY-UHFFFAOYSA-N 351.200 4.368 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NC1CCCC1 20894444 LDVAZHIDXIPKCU-UHFFFAOYSA-N 351.366 4.061 5 40 FIBB O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1Cl 100889858 LDOAJICMPLFCCC-UHFFFAOYSA-N 352.173 4.286 5 40 FIBB O=[N+]([O-])c1ccccc1[C@@H]1SCC(O)=Nc2c1cnn2-c1ccccc1 44902717 MCZZQENSKUCCHN-KRWDZBQOSA-N 366.402 4.205 5 40 FIBB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 214983951 CSRBUADLDZAURD-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33579793 IAJMQULPPQYZFR-VOTSOKGWSA-N 364.741 4.083 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 2630550 APGYMARPOICVPS-UHFFFAOYSA-N 367.224 4.088 5 40 FIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 14898391 IHBRXRLLOFMLPM-UHFFFAOYSA-N 353.300 4.054 5 40 FIBB CC[N+](C)(CC)Cc1cc(Cc2ccccc2)ccc1OC(=O)N(C)C 1707019 PEFFKUDGRAUSDZ-UHFFFAOYSA-N 355.502 4.324 5 40 FIBB O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccco2)n1C1CCCCC1 8745604 MOOWDYFZJHDVSW-UHFFFAOYSA-N 371.422 4.498 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)Cc1ccco1 8916216 VABCSQUJBQSHBL-UHFFFAOYSA-N 354.337 4.170 5 40 FIBB Cc1cc(C)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 12554903 CZIBPHSSLGSQEF-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB COc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 218112102 HFGGXUUENZZWOH-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB NC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 2625601 LOHDWTKGBHOTGI-UHFFFAOYSA-N 350.330 4.278 5 40 FIBB O=C(O)CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 4521716 YVOFHJLYHAWOSL-UHFFFAOYSA-N 364.402 4.138 5 40 FIBB Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)c1 5068734 DDSIFJFHMCZPPO-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1Cl 5174220 AVLUTNYAZUYLTN-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)cc1 6970880 BIWHRFNRPKJNAX-FHLIZLRMSA-N 355.350 4.138 5 40 FIBB CCOc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c(C)c2c1 6845438 VLFRKUPWYIZRDK-UHFFFAOYSA-N 355.346 4.405 5 40 FIBB O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408620115 KKVLAUDCTDLKEA-UHFFFAOYSA-N 358.737 4.466 5 40 FIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Cl)cc1 11246809 KTYVIGHTGVVJDW-UHFFFAOYSA-N 362.816 4.447 5 40 FIBB COc1ccc(OCc2csc(Cc3ccccc3)n2)c([N+](=O)[O-])c1 31650522 JOOYEXOUGIWHRY-UHFFFAOYSA-N 356.403 4.230 5 40 FIBB Cc1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 4017251 MTUHDPCIBDYLDW-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 4072189 FSGPGYRCYPBGJA-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB CC(C)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 11565786 RMZOEMSLAKMTIF-UHFFFAOYSA-N 352.346 4.077 5 40 FIBB COc1ccc(Nc2cccc([N+](=O)[O-])c2OC)cc1Br 19872975 BHVKPNMCGNGGFD-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB CC(C)c1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 223747843 KQCSWCKOVOFKHC-UHFFFAOYSA-N 362.813 4.180 5 40 FIBB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1Sc1ccccc1[N+](=O)[O-] 1059753 NVECQDVWAYSOPB-INIZCTEOSA-N 371.462 4.322 5 40 FIBB Cc1ccn2c(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)nc2c1 1302876 SWDBRICEIOBBAJ-UHFFFAOYSA-N 372.384 4.470 5 40 FIBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])s1 4034026 WBAXCMDEPVRVCL-UHFFFAOYSA-N 364.386 4.452 5 40 FIBB COC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 4747415 JTWNIUBKVLUFCX-HXUWFJFHSA-N 360.365 4.239 5 40 FIBB CCOC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl 22516146 ISPWBATYMQIIOZ-RMKNXTFCSA-N 374.780 4.077 5 40 FIBB C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCc2ccccc21 8774716 XTAZATGLWZRUOI-ZDUSSCGKSA-N 350.378 4.159 5 40 FIBB CCc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 100032216 YEIMRVRXBUYQFN-QFBILLFUSA-N 369.446 4.092 5 40 FIBB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3o2)c([N+](=O)[O-])c1 33607570 LAMAFZRBFDFPGN-UHFFFAOYSA-N 357.391 4.084 5 40 FIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)cnc21 2441424 OLQDCHRGCXVJBJ-UHFFFAOYSA-N 363.465 4.141 5 40 FIBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2 4291919 INKHNBFWANDRDJ-BXJCWQANSA-N 371.389 4.073 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c2ccncc12 5688657 WLYOAEVPGHSDDB-IBGZPJMESA-N 366.421 4.375 5 40 FIBB O=[N+]([O-])c1ncccc1Oc1nc(-c2ccsc2)nc2ccccc12 9365439 XJTBLCLCVITRIW-UHFFFAOYSA-N 350.359 4.454 5 40 FIBB COc1cc(Cl)c(C)cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 40157105 CJTGQYYNNXDOQL-UHFFFAOYSA-N 359.769 4.299 5 40 FIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1C(F)(F)F 46669558 HCEZRKJMBFCEGO-NSHDSACASA-N 352.312 4.447 5 40 FIBB O=[N+]([O-])c1cccnc1NCCc1csc(-c2ccccc2Cl)n1 95442243 JQBBKZHGQYOIKL-UHFFFAOYSA-N 360.826 4.421 5 40 FIBB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 408561317 HRMLNKDMKWODEZ-VXPUYCOJSA-N 367.430 4.194 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccc(Cl)cc1 7483384 OLYCMHADZGXZKU-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 3902728 NBFKRSDTIMVUGF-UHFFFAOYSA-N 356.425 4.410 5 40 FIBB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 15477607 IRBYUYYYPYTWSG-UHFFFAOYSA-N 353.205 4.103 5 40 FIBB CC(C)c1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1 2345118 VVZIIAMVXNCEHF-UHFFFAOYSA-N 362.454 4.143 5 40 FIBB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 2726472 GQWCXWWIHJSIII-UHFFFAOYSA-N 359.813 4.491 5 40 FIBB Nc1nc(NC2CCCCC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 5488362 LGGCJFMMVFVUQH-UHFFFAOYSA-N 362.821 4.109 5 40 FIBB COc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 23394338 OWMSMQIZCWPLEK-LLVKDONJSA-N 355.350 4.232 5 40 FIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1 106681966 JGBZRYUJRGERMF-DHDCSXOGSA-N 374.805 4.485 5 40 FIBB O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1 408725811 IEXBAHFZKTWUHS-UHFFFAOYSA-N 354.790 4.259 5 40 FIBB CCn1c(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc2ccccc21 4484458 NIVXDWYZCOSUOV-UHFFFAOYSA-N 355.419 4.248 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38853865 QGRJIPUHLXUITJ-HNNXBMFYSA-N 373.840 4.099 5 40 FIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(C(F)(F)F)c1 4071749 WEGCZQVYWFYKDW-UHFFFAOYSA-N 367.308 4.476 5 40 FIBB Cc1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 5013680 UMAZSTHIJFAKLO-UHFFFAOYSA-N 352.346 4.328 5 40 FIBB O=c1cc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ccc(O)cc2o1 1088383 FXJBWRCEISICJJ-UHFFFAOYSA-N 352.129 4.381 5 40 FIBB biogenic C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc2c(c1)OCO2 10960246 KRTFZZZGGZQBCU-SNVBAGLBSA-N 370.386 4.029 5 40 FIBB Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1[N+](=O)[O-] 12737907 BUZUGOOBYYPUPI-UHFFFAOYSA-N 361.401 4.314 5 40 FIBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COC(C)C 224430977 AXANLUFMBCDEPW-UHFFFAOYSA-N 358.394 4.089 5 40 FIBB C[C@@H]1[C@@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)[C@H]2CC[C@H]1C2(C)C 245240485 WQRGKEDCBMXHEN-UTCUMILBSA-N 372.573 4.245 5 40 FIBB Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)cc1 408531467 UBDRSXPMAJLFSM-UHFFFAOYSA-N 369.764 4.233 5 40 FIBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc([N+](=O)[O-])c1 1299606 OSVWLHCZYHIKNY-UHFFFAOYSA-N 360.329 4.050 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1csc(-c2ccccc2)n1 3279757 FHIJSWYKZOGACF-DHZHZOJOSA-N 366.398 4.475 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868733 HJZWKZSXCCCYRM-MRXNPFEDSA-N 374.824 4.070 5 40 FIBB Cc1cc(C)n(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)c2)n1 40107000 ULVIQGZBDFGEHY-UHFFFAOYSA-N 356.407 4.020 5 40 FIBB CN(c1ccccc1)c1ccc(CNCCc2ccc[nH]2)cc1[N+](=O)[O-] 95467779 NCCMIVDVGSQFTL-UHFFFAOYSA-N 350.422 4.023 5 40 FIBB CCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1Br 408541743 DMQSCCWSTGYOOS-FNORWQNLSA-N 353.172 4.223 5 40 FIBB CCc1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])ccc3ccccc23)cc1 5090916 JRUMTWVYHVYFFA-UHFFFAOYSA-N 356.403 4.111 5 40 FIBB O=C(NCCCn1ccc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] 12555653 LYNCNTHGBOTZSS-UHFFFAOYSA-N 357.797 4.023 5 40 FIBB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)sc2c1CC(C)(C)OC2 1315258 KCSXCAYEXLOVGO-UHFFFAOYSA-N 361.419 4.351 5 40 FIBB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1[N+](=O)[O-] 1414002 GXDBWMLEJWVQPE-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4117385 RRXDUXGSMHKJCR-UHFFFAOYSA-N 369.421 4.236 5 40 FIBB CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 8807484 IZVKRILTCRZCEB-GFCCVEGCSA-N 370.434 4.084 5 40 FIBB CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)c(C)c1 225499440 JSPPNOOUTYCBMB-INIZCTEOSA-N 362.813 4.446 5 40 FIBB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 6630671 VYGMFXYYJQQOSP-AYOQOUSVSA-N 368.389 4.016 5 40 FIBB Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc12 14878020 QTXPYBATZFINRT-UHFFFAOYSA-N 358.423 4.223 5 40 FIBB CC(C)c1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 25323770 WSFMUDBMEKEXMZ-UHFFFAOYSA-N 358.379 4.082 5 40 FIBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F 72229257 MGNMNPAFXCRUHJ-UHFFFAOYSA-N 363.776 4.240 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCc3ccccc32)cc1 216361107 QXEPCJHZHFKFDB-UHFFFAOYSA-N 373.412 4.410 5 40 FIBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OC 408619561 JAQSXFRMZYNHOY-UHFFFAOYSA-N 364.785 4.216 5 40 FIBB CCc1ccc2c(c1)CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1CC)C2 1672611860 UVGHPUJJGIAZSE-UHFFFAOYSA-N 353.422 4.310 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\C=C\c1ccccc1 1510168 IGOBSEQFRUQDBJ-QSJINSDNSA-N 354.749 4.149 5 40 FIBB O=[N+]([O-])c1ccc(/C(=C\c2ccc(F)cc2)S(=O)(=O)c2ccccc2)o1 1565727 OOGFHEVYRLDFOY-SFQUDFHCSA-N 373.361 4.299 5 40 FIBB Cc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)cc2c1 4126620 CODWCZPTSNPUOJ-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB COc1ccc([N+](=O)[O-])c(Nc2ccc(OC)c(Br)c2)c1 19872971 GCNBKXGRKRDWNY-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB O=C(Nc1cccc(Cl)c1)Oc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 1652000 DZNSTNDTBNCYCP-UHFFFAOYSA-N 372.120 4.421 5 40 FIBB O=[N+]([O-])c1cc2c(c(COc3cc(Cl)ccc3Cl)c1)OCOC2 3292023 CSEBAXPKCNDIET-UHFFFAOYSA-N 356.161 4.347 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 97163169 ZMSMIFBDSWQYGQ-NSHDSACASA-N 365.336 4.387 5 40 FIBB Cc1nc(-c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3)s2)cs1 12396562 BRDYXJWDFLGGPP-UHFFFAOYSA-N 373.459 4.061 5 40 FIBB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 18831423 CVTFLVCJJSDIGJ-JXMROGBWSA-N 350.827 4.372 5 40 FIBB CCO[P@@]1(=O)C=C(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 1642300 ZXXJUBCXDGHKFW-QHCPKHFHSA-N 374.311 4.475 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 24459028 OIDRPZDIUVWVGJ-UHFFFAOYSA-N 356.403 4.021 5 40 FIBB Cc1ccccc1CN1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 39762706 FXCTVKRNLLTLGU-UHFFFAOYSA-N 367.449 4.062 5 40 FIBB O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc12 66112946 WSXPHOLBCMJTBO-UHFFFAOYSA-N 368.755 4.412 5 40 FIBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Br 73639492 CROLAZFNHAAOLH-UHFFFAOYSA-N 363.167 4.483 5 40 FIBB O=C(CC[C@H]1CCCCO1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 89780858 BAHNSLLLENLNNZ-CQSZACIVSA-N 361.423 4.006 5 40 FIBB CCCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975214 KLCXGLKBQJKCBU-UHFFFAOYSA-N 367.412 4.019 5 40 FIBB CCN(CC)Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 6949562 NRTCPYCLLBSYTG-JLHYYAGUSA-N 353.422 4.089 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)Cc1ccco1 8915750 WLLWIQDOSYZCKQ-UHFFFAOYSA-N 354.337 4.170 5 40 FIBB O=[N+]([O-])c1ccc(Sc2nc3c(n2-c2ccccc2)CCCC3)nc1 23609267 MSWURVJPOBIDJO-UHFFFAOYSA-N 352.419 4.206 5 40 FIBB CC[C@@H](C)N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3280662 BPZGPBZJIOIAGD-PXAZEXFGSA-N 361.829 4.316 5 40 FIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 6505378 TWWUPDMCMLZZEE-DUXPYHPUSA-N 360.841 4.346 5 40 FIBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1 12629268 WNUYFLFNQAMHOL-OAHLLOKOSA-N 370.796 4.102 5 40 FIBB CCc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 27662680 UZOZVYQOGISKPY-UHFFFAOYSA-N 361.401 4.399 5 40 FIBB C[C@H]1C[C@H](C)C[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 36631442 WQLBOYUQYLFYDC-IPJJNNNSSA-N 354.514 4.216 5 40 FIBB O=c1oc2ccccc2c2cc(-c3ccc(Br)cc3)nc(O)c12 408718073 HFSIFJNCXXJECY-UHFFFAOYSA-N 368.186 4.476 5 40 FIBB Cc1nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2n1-c1ccccc1 1510400 SCVVWRGVBUDFEH-UHFFFAOYSA-N 372.384 4.494 5 40 FIBB CCCCn1c(-c2ccc(F)cc2)nc2oc3ccccc3c(=O)c2c1=O 2206605 NXBAJGHDVGYODW-UHFFFAOYSA-N 364.376 4.109 5 40 FIBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 3900000 OTPUCRGVRWPRCR-UHFFFAOYSA-N 354.387 4.063 5 40 FIBB O=C(CSc1ccccc1)c1cc([N+](=O)[O-])ccc1Br 19928699 HBCVUQDDMKWNDK-UHFFFAOYSA-N 352.209 4.332 5 40 FIBB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222955568 NTZILWLEIXURCM-MRXNPFEDSA-N 358.394 4.016 5 40 FIBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 408566356 FKOYDOOFAVXYRS-QGZVFWFLSA-N 372.425 4.133 5 40 FIBB Cc1nn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1[N+](=O)[O-] 5346678 MCBTXBGKCYQGPL-UHFFFAOYSA-N 373.416 4.309 5 40 FIBB O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 8288604 IKCCHDNDGXAGMJ-UHFFFAOYSA-N 359.813 4.103 5 40 FIBB O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3C3CCCCC3)n2)c1 40153655 QUDCHYULYUIWEH-QGZVFWFLSA-N 356.426 4.190 5 40 FIBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4cccc(C)c4o3)sc2c1 57352592 NRKIPNYHGSLKHJ-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cccc(Oc2nccs2)c1 84374600 OOTMRHRLHMZCSB-UHFFFAOYSA-N 360.322 4.202 5 40 FIBB Cc1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1[N+](=O)[O-] 47407985 XIFUMGJJWRQREC-UHFFFAOYSA-N 372.431 4.158 5 40 FIBB CN(C)[S@@](=O)(=Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 100691230 HFMVLIZNLFFVTM-VWLOTQADSA-N 373.356 4.249 5 40 FIBB CC(C)(C)C1CCC2(CC1)CC[N+](C)(CCC[N+]1(C)CCOCC1)CC2 1581169 ALRCFTJHOCGIIO-UHFFFAOYSA-N 366.634 4.316 5 40 FIBB CCCCn1c(-c2ccc(C)cc2)nc2oc3ccccc3c(=O)c2c1=O 2340260 RCZAXKCJRFFKJQ-UHFFFAOYSA-N 360.413 4.278 5 40 FIBB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 16470971 CXAAZODIXKHUOG-IBGZPJMESA-N 354.406 4.361 5 40 FIBB Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C 8291636 VAPNKPMDFWLXFE-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB COc1ccc(-n2c(C)nc3c(sc4nc5ccccc5cc43)c2=O)cc1 643063 GADNBSHZGGHAIG-UHFFFAOYSA-N 373.437 4.466 5 40 FIBB COc1ccc([N+](=O)[O-])cc1Cn1c(C(F)(F)F)nc2ccccc21 23055652 ASMRTONTDBQVFJ-UHFFFAOYSA-N 351.284 4.020 5 40 FIBB CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br 408558251 QQTARPABFZRQHG-UHFFFAOYSA-N 351.200 4.368 5 40 FIBB O=C(NC(=S)c1cccc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408732877 UHOPETGMIXKLRK-UHFFFAOYSA-N 351.387 4.245 5 40 FIBB Cc1c(NC(=O)CCNC(C)(C)CCc2ccccc2)cccc1[N+](=O)[O-] 72311972 BPEHWQPBJLGYQH-UHFFFAOYSA-N 369.465 4.233 5 40 FIBB O=C(NCCOc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 5876592 CQXKAIMLJHCMSA-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cs1 10105285 MOTTUOVCASHLFN-UHFFFAOYSA-N 373.459 4.327 5 40 FIBB Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1-c1ccccn1 23518350 DYZPDOYHWIVZJL-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB CC(C)(C)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 40169547 LGKDJGSNHSXVOW-UHFFFAOYSA-N 352.394 4.256 5 40 FIBB CCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 915913 IWKKDAWMJXVZOS-UHFFFAOYSA-N 370.283 4.144 5 40 FIBB O=c1c2ccccc2oc2nc(-c3cccs3)n(-c3ccccc3)c(=O)c12 2323525 KDADLILNPNWNCV-UHFFFAOYSA-N 372.405 4.221 5 40 FIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COC(C)C 224718847 LMWHTOBRWYBJAQ-UHFFFAOYSA-N 358.394 4.171 5 40 FIBB Cc1ccc(C(=O)C[C@H](SCC(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1793593 KCIJPNGLCMDMQX-KRWDZBQOSA-N 359.403 4.035 5 40 FIBB Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 5227627 CEQPREXNZDRCDY-UHFFFAOYSA-N 365.433 4.267 5 40 FIBB Cc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCC2)cc1 8411756 PRDULRVQZSZJBO-UHFFFAOYSA-N 351.406 4.175 5 40 FIBB O=C(Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 8470788 VUDFGVFZXUWYCW-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nccn1C 12551330 MESBMSDWHNALCB-KRWDZBQOSA-N 372.812 4.192 5 40 FIBB CCCCOc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1OC 32750058 NZAWMWQWEWSJJT-UHFFFAOYSA-N 372.421 4.021 5 40 FIBB COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 17074831 RLSBVJINGZIDBN-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cccc(C)c1 36621083 UGRMJPIKWGSQLE-KRWDZBQOSA-N 355.394 4.281 5 40 FIBB Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2ccc3ccccc3n2)c1C 5626717 DVLSBJZPAORTSF-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB O=c1cc(CSc2nnc3ccccn23)c2c(ccc3ccccc32)o1 3505499 BJRKXWNSYJPBRP-UHFFFAOYSA-N 359.410 4.281 5 40 FIBB Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N)c2[N+](=O)[O-])cc1 5053456 ZBFNFSDYIFALSG-UHFFFAOYSA-N 350.382 4.071 5 40 FIBB CC(=O)c1ccc(NCCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 8051086 STIGRAKGFVMCHF-UHFFFAOYSA-N 352.312 4.471 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(Cl)cccc1Cl 14396814 NGAVYCRENJALDA-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)c2ncccc12 24968669 UXJYOHMELGOMFE-NRFANRHFSA-N 363.417 4.093 5 40 FIBB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 95971399 LBOCBYXJNVMRJP-VIFPVBQESA-N 369.204 4.440 5 40 FIBB CN(C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 97102847 IYAIYGLDJMDLEE-UHFFFAOYSA-N 364.351 4.236 5 40 FIBB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1[N+](=O)[O-] 7800085 YXFMVDJKPHHVGH-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB Cc1csc(=O)n1CCOC(=O)c1c2ccccc2cc2ccccc12 7981223 HNYZMMPETPKXKK-UHFFFAOYSA-N 363.438 4.382 5 40 FIBB Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 24916438 OBWBHUWZBDJBBF-UHFFFAOYSA-N 367.792 4.308 5 40 FIBB Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])c3cccnc23)c(C)c1 30699328 XNIWQJZXRPUIBS-UHFFFAOYSA-N 364.405 4.119 5 40 FIBB Cc1cc(-c2ccccc2)nc(Sc2ccc([N+](=O)[O-])cc2C=O)n1 409386707 WVHFCHXGWUTPRJ-UHFFFAOYSA-N 351.387 4.324 5 40 FIBB O=C(NCc1ccco1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 3020152 RNBFGHGVINWRKQ-UHFFFAOYSA-N 372.377 4.408 5 40 FIBB CC(C)n1ncc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc(C3CC3)nc21 12797823 QVTXPEXZWNWGCM-UHFFFAOYSA-N 365.393 4.050 5 40 FIBB COc1cc(OC)c(OC)cc1/C=C/c1nc2cc([N+](=O)[O-])ccc2s1 15566292 OPTZGTNVONVIKG-QPJJXVBHSA-N 372.402 4.401 5 40 FIBB CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 225683019 WBHIAOQYVKBUIS-MZEUMTGBSA-N 354.406 4.193 5 40 FIBB Cc1nn(CCCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 4873883 MLZWKEXACRLCJQ-UHFFFAOYSA-N 371.224 4.134 5 40 FIBB O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])o2)N1c1ccc(Cl)cn1 54702807 QMPZBCOWZKNGNB-INIZCTEOSA-N 370.752 4.007 5 40 FIBB O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(-c3ccccc3)c12 36617499 GOEWKRAQWCOXDA-UHFFFAOYSA-N 361.313 4.163 5 40 FIBB O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[N+]1(Cc2ccccc2)CCCC1 36640197 BZEHIMUZYVYPLC-XCBYWJNASA-N 370.557 4.144 5 40 FIBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 5260268 YVVAWTAPBBEGJH-UHFFFAOYSA-N 370.386 4.188 5 40 FIBB CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCC2)cc1 13646934 YIVOMPYYYXNKCZ-UHFFFAOYSA-N 359.813 4.125 5 40 FIBB Cc1cccc(Oc2cc(N3C(=O)c4ccccc4C3=O)cc([N+](=O)[O-])c2)c1 828567 LPMVCKBWSYBBGX-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB COc1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c([N+](=O)[O-])c1 7715350 DKDGNYLGGZBGET-QIIPPGSGSA-N 364.442 4.019 5 40 FIBB CCc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229502 GDKBLOHHHIQOFU-UHFFFAOYSA-N 369.204 4.482 5 40 FIBB C[N+](C)(Cc1ccccc1Cl)C[C@H](O)CNc1ccccc1Cl 3148557 OONHIVVWTCZCMJ-OAHLLOKOSA-N 354.301 4.043 5 40 FIBB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1Cl 47692653 JGWXCPZGYOLLEX-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 60517452 HERSQHJKBBYKDO-UHFFFAOYSA-N 374.759 4.134 5 40 FIBB COc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 32753924 ULUMRKDNYNEQGH-GFCCVEGCSA-N 354.362 4.183 5 40 FIBB CCCCn1c(-c2ccccc2F)nc2oc3ccccc3c(=O)c2c1=O 2325852 SIRIEYJERLFFHI-UHFFFAOYSA-N 364.376 4.109 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccsc2)n1 12791601 RJONMMRXNGJTET-UHFFFAOYSA-N 359.432 4.269 5 40 FIBB Cc1ccccc1Nc1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1 6276346 LQVYMIHPNRLAFA-UHFFFAOYSA-N 356.773 4.229 5 40 FIBB Cc1cccc(C(=O)OCc2ccc(Br)cc2F)c1[N+](=O)[O-] 4580248 DCMAHSUAJOAARC-UHFFFAOYSA-N 368.158 4.162 5 40 FIBB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-] 10994927 DCILPGQFTGVXJO-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB CNc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] 12608460 KTOGIIXWSRLLAR-UHFFFAOYSA-N 354.391 4.012 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(OC2CCCC2)c1 29943779 WEJRUBRYTKSHBM-UHFFFAOYSA-N 369.421 4.275 5 40 FIBB O=c1oc2ccc3ccccc3c2cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 4566817 DEELYHNVGYOIKD-UHFFFAOYSA-N 357.325 4.398 5 40 FIBB CC(C)([C@H](OC(=O)C1=CCCC1)c1ccc(Br)cc1)[N+](=O)[O-] 96013371 HIOCKHKHYUJXQB-CQSZACIVSA-N 368.227 4.199 5 40 FIBB O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccccc1F 33714932 JVCJBAHIPSGMJU-BQYQJAHWSA-N 352.159 4.415 5 40 FIBB O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3149532 RUUQBTRLHVHJFO-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)nc2c1c(=O)oc1ccccc12 4108204 XUNPNHJTFFWQSS-CQSZACIVSA-N 374.396 4.056 5 40 FIBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 6263862 PPRMVIVEZHZUNK-UHFFFAOYSA-N 361.785 4.239 5 40 FIBB CCCCOCc1ccc2oc(C(=O)O[C@H](C)CC[N+](C)(C)C)cc2c1 2295541 GFMSFGVIHICQKY-MRXNPFEDSA-N 362.490 4.391 5 40 FIBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccccc3)nc21 2444067 PWTDXMAYBDFAKU-UHFFFAOYSA-N 371.440 4.031 5 40 FIBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCCC1 5603719 NQILPIQPLYPTRC-SUMWQHHRSA-N 374.466 4.003 5 40 FIBB O=C(Nc1ccccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 8286627 QONCRLNHIXZYHV-UHFFFAOYSA-N 359.813 4.103 5 40 FIBB CSc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 8496858 ZWWXXUMBXMPYJM-UHFFFAOYSA-N 351.859 4.172 5 40 FIBB COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl 9141745 RHHUUNHPNXDSDH-UHFFFAOYSA-N 355.177 4.471 5 40 FIBB Cc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408571053 NCLKAKHBDUWTMB-GOSISDBHSA-N 368.462 4.303 5 40 FIBB Cc1ccc(S(=O)(=O)NN=c2c3ccccc3ccc3ccccc23)cc1 1584186 ZMJJUKPEGVGLFP-UHFFFAOYSA-N 374.465 4.096 5 40 FIBB biogenic CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 2333174 XEWIWJGUCZVXPD-UHFFFAOYSA-N 363.417 4.090 5 40 FIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1nc2ccccc2s1 5590348 VYOSAYPTZGWDLO-UHFFFAOYSA-N 367.346 4.405 5 40 FIBB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 8917485 QLPPNPNIOCJBSY-UHFFFAOYSA-N 366.373 4.039 5 40 FIBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 6595668 KBFZCSNXVMZEDS-HXUWFJFHSA-N 361.353 4.376 5 40 FIBB O=C(NCCOc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 12998857 HKEPLPNEVFYCLN-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB CCOc1ccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 409102251 YEUKMJDMPCBDIY-UHFFFAOYSA-N 370.434 4.175 5 40 FIBB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 38756418 URKLLWXNNFRBNB-KRWDZBQOSA-N 358.394 4.016 5 40 FIBB Cc1c(-c2nnc3sc(-c4ccc([N+](=O)[O-])o4)nn23)oc2ccccc12 96194399 MMTREXUSAIZRIT-UHFFFAOYSA-N 367.346 4.076 5 40 FIBB COc1ccc(-c2ccc(/C=C3\SC(=S)N=C3O)o2)c([N+](=O)[O-])c1 13842957 PDCLYGIATHFPST-QPEQYQDCSA-N 362.388 4.193 5 40 FIBB Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1Cc1ccco1 3542770 KJYOQSCBODHLLX-UHFFFAOYSA-N 372.352 4.055 5 40 FIBB O=C(Oc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4776118 MMYJXPCWIYSORG-UHFFFAOYSA-N 357.105 4.029 5 40 FIBB CCN(C(C)=O)c1nc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cs1 8727483 RUUIGQLVVQDZJQ-MDZDMXLPSA-N 368.418 4.143 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1Cl 26765422 XCVKVPCRNAEWBM-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccnc3)=NN12 226783481 DYXKSWVGCMUFNU-CTNGQTDRSA-N 372.384 4.232 5 40 FIBB O=C(NCc1ccccc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408974965 GUZXJFQCYAMVFC-UHFFFAOYSA-N 352.397 4.194 5 40 FIBB COc1ccc(-c2nc(COc3ccccc3[N+](=O)[O-])cs2)cc1OC 7168940 SNXAMLAPONEDNM-UHFFFAOYSA-N 372.402 4.315 5 40 FIBB C[C@H](Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)c1ccccc1 9095381 ZHCUWPJFKRGWGA-GFCCVEGCSA-N 368.418 4.045 5 40 FIBB CC1(C)C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1 13647536 QUJSDRRCHARFRX-AWEZNQCLSA-N 360.797 4.280 5 40 FIBB CCOC(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313217 CLEKVHRUKSAZMR-UHFFFAOYSA-N 355.444 4.048 5 40 FIBB CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 24211509 NCHVJECLEVIXOJ-UHFFFAOYSA-N 364.405 4.350 5 40 FIBB COc1ccc(-c2sc(NC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408823397 FCPNILFAQWQOGU-UHFFFAOYSA-N 369.402 4.352 5 40 FIBB Cc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 5688589 NFBLKTFVBNAODY-UHFFFAOYSA-N 367.449 4.070 5 40 FIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnc2c1ccc1ccccc12 40384351 WQJDLUHYIQDDBT-UHFFFAOYSA-N 373.368 4.314 5 40 FIBB COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 12734575 NWNRJECTZYUIEO-UHFFFAOYSA-N 357.391 4.479 5 40 FIBB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 15409187 PVOXSIABXJGFRL-UHFFFAOYSA-N 364.785 4.216 5 40 FIBB O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1[nH]c3cc(F)ccc3c21 6567266 ZJILYXVMTNATOV-UHFFFAOYSA-N 361.307 4.117 5 40 FIBB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 14790066 MOHFSKLBKQMIEV-UHFFFAOYSA-N 358.703 4.197 5 40 FIBB CC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 22158011 KPMREKAOKHNCPQ-LLVKDONJSA-N 363.753 4.175 5 40 FIBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 72229338 RIVZTNOBRWIMQK-UHFFFAOYSA-N 363.776 4.240 5 40 FIBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 20140823 YRJYBUPHHNPKOL-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CCOC(=O)Oc1c(-c2ccccc2)n(C(C)=O)c2cc([N+](=O)[O-])ccc12 3844596 LHNNVWYCDJGCHY-UHFFFAOYSA-N 368.345 4.412 5 40 FIBB biogenic Cc1c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cccc1[N+](=O)[O-] 13708571 LTFJSDOOOZLVGV-AWEZNQCLSA-N 350.374 4.462 5 40 FIBB COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 6642282 BTKOXBBCACOFKF-UHFFFAOYSA-N 355.272 4.266 5 40 FIBB COc1cc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC(C)C 32830923 DDFOSGJMTGFARP-CQSZACIVSA-N 372.421 4.129 5 40 FIBB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1[N+](=O)[O-] 408987211 FDCRNXXQBHXFLN-UHFFFAOYSA-N 371.418 4.250 5 40 FIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccccc1F)C3 20610092 HMUGPMCMCOOUOT-UHFFFAOYSA-N 361.372 4.437 5 40 FIBB biogenic CCC(NC(=O)OCc1ccccc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 1445575 KCPKGPQEQGLWPI-UHFFFAOYSA-N 374.237 4.094 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 15541784 NQXGMHDWTYQGBM-MRXNPFEDSA-N 367.430 4.111 5 40 FIBB CCc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 20197077 PBBYEOAHHQPPFI-UHFFFAOYSA-N 355.419 4.423 5 40 FIBB CCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 24484733 SYPZOIUEMDCJMV-UHFFFAOYSA-N 370.796 4.249 5 40 FIBB CCc1sc(-c2nnc(COc3cc(F)ccc3[N+](=O)[O-])o2)cc1C 8777185 VVDNBSSRFZSBNI-UHFFFAOYSA-N 363.370 4.295 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1NC1CCCCC1 20894343 WQIPMPILMYNDGD-UHFFFAOYSA-N 365.393 4.451 5 40 FIBB Cc1c(C(=O)Nc2ccc(CN3CCCCC3)cc2)cccc1[N+](=O)[O-] 16250158 WBHXVFCVVDJWIU-UHFFFAOYSA-N 353.422 4.141 5 40 FIBB COc1ccc([N+](=O)[O-])cc1CNc1cc(Cl)ccc1-n1cccn1 83953040 ZLTIKPXGTAMDPV-UHFFFAOYSA-N 358.785 4.055 5 40 FIBB O=[N+]([O-])c1ccc2c(OCc3csc(-c4ccccc4)n3)ncnc2c1 2645824 SRZNTAKHJPZSNY-UHFFFAOYSA-N 364.386 4.241 5 40 FIBB CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 166561098 NSKIWHVOTQKWNL-UHFFFAOYSA-N 355.822 4.060 5 40 FIBB Cc1cc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc2ccccc12 5659901 KBEWOUPEMAUHIB-UHFFFAOYSA-N 371.393 4.321 5 40 FIBB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6613946 LAVHQDJUBZSWQL-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB Cc1ccccc1NC(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3340521 QAIPNJWGLGIWQA-UHFFFAOYSA-N 353.403 4.208 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)cc1 5076627 SRFHDMDTXZXRDK-UHFFFAOYSA-N 350.382 4.071 5 40 FIBB Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCc1cccc(F)c1OC(F)F 1618261987 MOTCUFVBOVMIAP-UHFFFAOYSA-N 373.258 4.140 5 40 FIBB COc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C 825618 XNKRDFHPVAZCQX-HXUWFJFHSA-N 352.390 4.133 5 40 FIBB O=C(Nc1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])cc1Cl 58166390 XQLWDNVCLAUOEP-UHFFFAOYSA-N 366.811 4.081 5 40 FIBB CCOc1ccc(C(=O)N(CC)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] 25470662 YZGYPCXEBCKRTD-UHFFFAOYSA-N 368.842 4.371 5 40 FIBB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1 38853961 QNMRKZONWZRTBF-HNNXBMFYSA-N 353.422 4.079 5 40 FIBB Cc1cc(C)n(CCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)n1 3206077 YACMGINXSFQSIF-UHFFFAOYSA-N 362.842 4.428 5 40 FIBB COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 4893841 NCLSZASCZIYZSH-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc([N+](=O)[O-])o1 10120062 CPWXQYOOVOLPDR-UHFFFAOYSA-N 363.329 4.172 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)c2ncccc12 24968665 UXJYOHMELGOMFE-OAQYLSRUSA-N 363.417 4.093 5 40 FIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)c1 3343079 TWCNEVUBFXELAK-MRVPVSSYSA-N 367.780 4.219 5 40 FIBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)NCCc1c[nH]c2ccccc12 2543532 JFAKOTDBVBAJIO-VMPITWQZSA-N 369.808 4.102 5 40 FIBB COc1cccc(CN(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC 15169736 CTYLWGOAOYWLSG-UHFFFAOYSA-N 370.327 4.267 5 40 FIBB COc1cc2cc3c4cc(OC)c(OC)cc4cc(C)[n+]3cc2cc1OC 1557667 GMPFYSPIYKEORH-UHFFFAOYSA-N 364.421 4.075 5 40 FIBB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1Cl 5441268 PZVAUIQUMRSZEK-UHFFFAOYSA-N 373.796 4.017 5 40 FIBB Fc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCCO1 9419687 SYQOTNQIPFZVTC-UHFFFAOYSA-N 351.381 4.030 5 40 FIBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 17076531 QKFKHARPXICTGE-UHFFFAOYSA-N 373.840 4.486 5 40 FIBB CC(C)(C)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 85706640 MLCRWGZHNKQYLQ-OAHLLOKOSA-N 368.480 4.259 5 40 FIBB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 224416606 AUCUTTRKKSMYPZ-IBGZPJMESA-N 354.406 4.270 5 40 FIBB Cc1c(C(=O)OCc2csc(-c3ccccc3)n2)cccc1[N+](=O)[O-] 3249893 LPYBNUBVFKWTJK-UHFFFAOYSA-N 354.387 4.384 5 40 FIBB Cc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408571054 NCLKAKHBDUWTMB-SFHVURJKSA-N 368.462 4.303 5 40 FIBB Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1 3207278 OSGVPWIGCYUSJQ-INIZCTEOSA-N 359.223 4.419 5 40 FIBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 5869426 HKEJZOBITOYVMP-SECBINFHSA-N 355.177 4.308 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1NC1CCCC1 9669045 WIGMJWLYUWEVGJ-UHFFFAOYSA-N 351.366 4.061 5 40 FIBB CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 60524686 LTZOXHZOVFBMCZ-UHFFFAOYSA-N 364.405 4.330 5 40 FIBB CC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 4070017 DQTQQZRUVRQUNL-UHFFFAOYSA-N 367.386 4.173 5 40 FIBB COc1ccc(C(=O)[C@@H](C)Oc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 12521514 IMZPHZNFFRKVNY-CQSZACIVSA-N 373.408 4.340 5 40 FIBB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1 14206894 VBQXEPMQNCNHLI-UHFFFAOYSA-N 371.780 4.475 5 40 FIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1Cl 15580204 FXVJCXHJFSSYGX-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB Cn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 25305451 ZUZOHPGRBXUSAL-UHFFFAOYSA-N 372.768 4.026 5 40 FIBB CCCCCC[C@@H](C)N(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1 5524119 UZDKXNDIXKKXEQ-OAHLLOKOSA-N 350.459 4.167 5 40 FIBB Cc1ccc([C@H]2OCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 72307307 WVFYLLSWJMGUFZ-SJLPKXTDSA-N 357.366 4.144 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccccc1-c1ccccc1 226072757 AKUHMZWFGSONOM-JOCHJYFZSA-N 362.493 4.370 5 40 FIBB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 30869756 QBYFDVAPMIAQCB-SFHVURJKSA-N 356.422 4.429 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223469748 DTPTUQYAZQLYIP-CQSZACIVSA-N 354.406 4.188 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[N@@]1Cc1ccccc1 2038184413 AAIHEZGNYXLYBB-FUPPJEDESA-N 358.397 4.403 5 40 FIBB CC(C)c1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 2468600 KCVGXGWEXJYBTE-XLIONFOSSA-N 367.405 4.488 5 40 FIBB CCn1c(COc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 5296561 NBFXPNCHYHWWHC-UHFFFAOYSA-N 370.434 4.078 5 40 FIBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ccc(Cl)cc1 5945026 QJZOHSBTBWXVIB-UHFFFAOYSA-N 354.727 4.006 5 40 FIBB COc1ccc(C2=Nc3ccccc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 6973421 GLYHHWNSHISBKJ-UHFFFAOYSA-N 372.384 4.037 5 40 FIBB CC(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 22259207 TZPUYXATQACSDG-UHFFFAOYSA-N 354.815 4.172 5 40 FIBB C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 57347281 IDIRTSFNUQERHA-CYBMUJFWSA-N 356.813 4.285 5 40 FIBB C[C@H](Sc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1c(F)cccc1F 84647346 MXOKQIPNSDTXEP-QMMMGPOBSA-N 352.366 4.091 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1Cl 160287168 OAFHNTDFIBJTOF-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1 408531643 VPTFWQNNAQJXRH-UHFFFAOYSA-N 369.764 4.233 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[N@@]1Cc1ccccc1 1857935238 AAIHEZGNYXLYBB-QNWVGRARSA-N 358.397 4.403 5 40 FIBB COC(=O)CCC(=O)c1cc(OC)c2cc3ccccc3cc2c1OC 1698034 PAZJSGPLYNPQGB-UHFFFAOYSA-N 352.386 4.146 5 40 FIBB Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1 5546394 UMIRDBAOQTZECP-UHFFFAOYSA-N 357.369 4.269 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)nn1-c1ccccc1 11765708 LRVKKGUWLNKZHM-UHFFFAOYSA-N 374.356 4.293 5 40 FIBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)c1 12080458 LSNQSDKXABQFFM-TZIWHRDSSA-N 372.384 4.232 5 40 FIBB O=C(Cc1c(Cl)cccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 12995079 PIQSFWIRLVBGGK-UHFFFAOYSA-N 351.189 4.033 5 40 FIBB C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 75800568 NVSUAZGQGZESER-GFCCVEGCSA-N 362.813 4.260 5 40 FIBB CCOc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 408607214 JXHOGXPDLMHMFF-UHFFFAOYSA-N 351.200 4.368 5 40 FIBB Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1 8916480 TYSJCRHULSAWID-UHFFFAOYSA-N 356.403 4.400 5 40 FIBB Cc1csc(-c2ccc(Oc3nc4ccccn4c3[N+](=O)[O-])cc2)n1 12535646 UKZRDUHTRNHPQC-UHFFFAOYSA-N 352.375 4.467 5 40 FIBB CC[C@H](C)N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3280667 BPZGPBZJIOIAGD-YVEFUNNKSA-N 361.829 4.316 5 40 FIBB Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 9329081 UZPYEOPSUSBBOY-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC(C)(C)O2 217888927 QESNWHZYYAOHBJ-LNENJAERSA-N 366.417 4.335 5 40 FIBB Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2n1-c1ccccc1 1507085 NFWVLXTXKBBPDD-UHFFFAOYSA-N 372.384 4.494 5 40 FIBB O=C(/N=c1/oc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)cc1 5579835 GVQPXPAOYCHUKZ-VLGSPTGOSA-N 360.778 4.311 5 40 FIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccccc2)CC1 9062859 UPDCIBFUZMRULJ-UHFFFAOYSA-N 373.840 4.099 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c2ncccc12 29873808 REOXSPKDDZPZOR-SFHVURJKSA-N 366.421 4.375 5 40 FIBB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224779179 RGBLXGKUUDGFKJ-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB NC(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 4471586 QEGILPVUXPTDPI-JCMHNJIXSA-N 366.420 4.249 5 40 FIBB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 4577110 LQWDRLPAWFRYDL-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB Cc1c(NC(=O)[C@H](C)Oc2cccc3ccccc23)cccc1[N+](=O)[O-] 13709322 IBTCDXOKPYADQT-AWEZNQCLSA-N 350.374 4.462 5 40 FIBB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 32777381 ZGWHWLYGVKMKGX-GFCCVEGCSA-N 371.418 4.014 5 40 FIBB COc1ccc(-c2cc(CN(C)c3ccc(F)cc3[N+](=O)[O-])on2)cc1 24832427 JBNXSNIKINNLAO-UHFFFAOYSA-N 357.341 4.034 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc2c(cc1Cl)OCCCO2 11003585 SDWYUVCAUCHZTQ-AATRIKPKSA-N 374.780 4.061 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1Cl 160095658 NIAFPHDYOBCCQX-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(Cl)cccc1Cl 3359974 NANUHJDMUVIWFE-UHFFFAOYSA-N 355.177 4.091 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c2ncccc12 72273081 PXDLXXYNXFKDGE-CQSZACIVSA-N 366.396 4.221 5 40 FIBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 4113785 DSOXSIPAVMLKFX-UHFFFAOYSA-N 370.670 4.068 5 40 FIBB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl 5274211 IPVFZHNIBZGSSP-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1cccc([N+](=O)[O-])c1 19927374 NLNGPESRBJBMDG-UHFFFAOYSA-N 374.809 4.008 5 40 FIBB Cc1ccccc1OCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229490 UDFMZVVRXRBALN-UHFFFAOYSA-N 355.177 4.228 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20038435 AIHQSPJSMJRVLT-ZDUSSCGKSA-N 358.394 4.133 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCc2ccccc21 36392720 ZUFTYVUJVAJMCG-UHFFFAOYSA-N 373.412 4.470 5 40 FIBB CC(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(F)c1 55050723 PICBSHBUDDCAAX-UHFFFAOYSA-N 357.366 4.483 5 40 FIBB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 10157718 BMVQBGSGSHSALI-UHFFFAOYSA-N 352.390 4.446 5 40 FIBB CC(C)(C)C(=O)N1CCOc2ccc(Nc3ccc([N+](=O)[O-])cc3F)cc21 84140092 JUHBBMSWVFCYIP-UHFFFAOYSA-N 373.384 4.249 5 40 FIBB O=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2cc([N+](=O)[O-])ccc21 5890681 GFNRNXMRZPKZKC-UHFFFAOYSA-N 351.149 4.332 5 40 FIBB Cc1c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cccc1[N+](=O)[O-] 13709320 IBTCDXOKPYADQT-CQSZACIVSA-N 350.374 4.462 5 40 FIBB CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 6331510 QRBQGHBJWZZANZ-UHFFFAOYSA-N 368.798 4.047 5 40 FIBB CC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(C)n3c4ccccc4nc3c12 101178014 FISMGOFNTRRDQJ-UHFFFAOYSA-N 374.375 4.199 5 40 FIBB C[C@H](SC1=NN/C(=C2\C=Nc3ccccc32)O1)c1cccc([N+](=O)[O-])c1 105079058 RCAHVKFOORUDFI-ISOHDOPZSA-N 366.402 4.365 5 40 FIBB C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 4895891 WRRZRNYYPRLUSU-OAHLLOKOSA-N 353.422 4.076 5 40 FIBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 5869422 ZAMKPDNZYPMDSH-SECBINFHSA-N 355.177 4.308 5 40 FIBB Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)n2nc(C)c([N+](=O)[O-])c2C)cc1 5965590 BELGCFBESQEVTB-HXUWFJFHSA-N 363.417 4.497 5 40 FIBB Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1C 20196842 HAEBQBWKTINXQT-UHFFFAOYSA-N 355.419 4.478 5 40 FIBB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 95971400 LBOCBYXJNVMRJP-SECBINFHSA-N 369.204 4.440 5 40 FIBB O=C(NCCOc1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 5876609 CIIJQPGCPLQYBB-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB O=Cc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2577652 SLHLLGOTZBVLFL-UHFFFAOYSA-N 356.212 4.127 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)c1 4292019 LSNQSDKXABQFFM-FPOVZHCZSA-N 372.384 4.232 5 40 FIBB Cc1nc(NCc2ccc(F)cc2)nc(NCc2ccccc2)c1[N+](=O)[O-] 38488506 LXGVQHLQWUAJRD-UHFFFAOYSA-N 367.384 4.057 5 40 FIBB Cc1ccc(-c2nc(CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)no2)cc1 40497694 PBEGHSIDMVACHO-AWEZNQCLSA-N 352.394 4.146 5 40 FIBB O=C1C2=C(CCCC2)[C@H](Nc2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 9554181 QKHBMQTZMYYXRM-HXUWFJFHSA-N 363.417 4.246 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1Cl 105836717 JMIDQRJWRYYYNU-UHFFFAOYSA-N 369.204 4.482 5 40 FIBB Cc1sc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] 36396811 VLDMAYOWGDWHCR-UHFFFAOYSA-N 362.304 4.053 5 40 FIBB O=[N+]([O-])c1cccc(OCCCC(F)(F)C(F)(F)Br)c1 1083811728 JDXMMSQPWZXTMP-UHFFFAOYSA-N 360.101 4.377 5 40 FIBB O=[N+]([O-])c1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 16492310 APROHBZOOLFDDP-UHFFFAOYSA-N 367.430 4.222 5 40 FIBB CCCC(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4267857 AMDHPABQPZBBRG-UHFFFAOYSA-N 367.361 4.332 5 40 FIBB O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 30301519 GRKTZHIBMMLQFS-UHFFFAOYSA-N 354.284 4.011 5 40 FIBB Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2134060 VKLIGECOZLRRMD-UHFFFAOYSA-N 372.764 4.224 5 40 FIBB biogenic O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1 2286459 SOYSWBXHFGARDB-UHFFFAOYSA-N 358.357 4.162 5 40 FIBB Cc1ccc(CN(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])o1 5899110 YNEWAYWXJRQCLO-UHFFFAOYSA-N 350.374 4.364 5 40 FIBB CC(C)Oc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 17073761 ZHSCULDCLPWJOK-UHFFFAOYSA-N 357.391 4.244 5 40 FIBB CC(=O)c1c(C)cc(C)c(COC(=O)c2c(C)cccc2[N+](=O)[O-])c1C 39535948 QRWANEULNIGHCX-UHFFFAOYSA-N 355.390 4.388 5 40 FIBB CCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 3016577 IOOGAILYDCIEKS-UHFFFAOYSA-N 368.846 4.475 5 40 FIBB Nc1nc(Nc2ccccc2F)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 17251657 AJDOKGLLTLJHBS-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB CCNc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 12556354 APNOOERINWPJRP-LBPRGKRZSA-N 353.378 4.264 5 40 FIBB CC(C)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 25928118 AWOLPUUGUZIDOM-MRXNPFEDSA-N 358.423 4.193 5 40 FIBB O=[N+]([O-])c1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1 6719193 XAGQTFBAYYCYRO-FQEVSTJZSA-N 355.438 4.376 5 40 FIBB biogenic CCOc1cc(Oc2ccc3ccc(=O)oc3c2)c([N+](=O)[O-])cc1OCC 8705229 PDWZESABVFWVOZ-UHFFFAOYSA-N 371.345 4.291 5 40 FIBB CC[C@@H](C)NC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624360 KLVCXTCGFROLIB-CYBMUJFWSA-N 369.424 4.120 5 40 FIBB biogenic O=C(NCCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408905915 AXZHMGFUDOABJC-OQKWZONESA-N 372.424 4.494 5 40 FIBB Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 2763378 GBGXDFSLAFCBPQ-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB CSc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 25325748 XZGKRGHAPQOWID-HNNXBMFYSA-N 360.410 4.433 5 40 FIBB Cn1c(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)nnc1-c1ccccc1 59459170 XHXJARLHZYMFEG-UHFFFAOYSA-N 365.418 4.164 5 40 FIBB O=C(COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)c1ccccc1 4066092 VIEXKDDMOWQVAU-UHFFFAOYSA-N 361.353 4.302 5 40 FIBB O=C(COc1ccc(F)cc1)Nc1ccc2c(=O)c3ccccc3oc2c1 6660687 CZSLVTYSGLFWOT-UHFFFAOYSA-N 363.344 4.103 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Cl)cc3)nc12 10010546 DNAOUHNNGANOBT-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 19927624 GCECZFUEWKQSNS-UHFFFAOYSA-N 354.435 4.474 5 40 FIBB O=[N+]([O-])c1cccc(-c2noc(CNc3cccc4c3CCCC4)n2)c1 55825752 UEZLWQZLXYEKIR-UHFFFAOYSA-N 350.378 4.136 5 40 FIBB C[C@@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 3200952 OVVBVNWPSBFNSI-MRVPVSSYSA-N 351.815 4.082 5 40 FIBB Nc1nc(Nc2ccccc2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 5032356 ICBFMUGLERFDFQ-UHFFFAOYSA-N 356.773 4.108 5 40 FIBB CC(C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 6364216 PCSGCJRSQKXLER-UHFFFAOYSA-N 361.785 4.095 5 40 FIBB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225082130 ZHNYCFTXRWTJNB-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] 225176746 WSWLYGMWDUDMAA-CQSZACIVSA-N 354.406 4.188 5 40 FIBB Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] 32845438 IQROZJWYNOPRDL-UHFFFAOYSA-N 373.459 4.143 5 40 FIBB CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1 4026677 JSAHWRWJVNYPMA-SZUFIYSYSA-N 360.518 4.287 5 40 FIBB O=C(Nc1ccccc1)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12563590 GMWFMKXRZPQBCJ-UHFFFAOYSA-N 359.813 4.103 5 40 FIBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCCC[C@@H]1c1ccncc1 58261592 AVOAEWNVXCGRQD-QGZVFWFLSA-N 364.405 4.229 5 40 FIBB Cc1ccccc1C(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl 72229121 JSGKSZCSHCJEPN-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3ccc([N+](=O)[O-])cc3)cc21 59428113 JIKZILXEBYZLQO-UHFFFAOYSA-N 352.390 4.350 5 40 FIBB Cc1c(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cccc1[N+](=O)[O-] 20140998 HKEAHFCJXZBIMX-UHFFFAOYSA-N 369.160 4.161 5 40 FIBB Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 3504864 PBVHKWXNPKOVSJ-UHFFFAOYSA-N 361.781 4.213 5 40 FIBB O=c1[nH]c2cc(Br)ccc2c2ccc(Br)cc12 17380296 YGNOBSNWUISURG-UHFFFAOYSA-N 353.013 4.206 5 40 FIBB Cc1ccc(-n2c(-c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 4310925 WJXXFMQOTLKRSD-UHFFFAOYSA-N 357.369 4.269 5 40 FIBB O=C(NCCOc1ccc2ccccc2c1)c1cc(Cl)ccc1[N+](=O)[O-] 12995545 BOZNLPBBEGEUON-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB CC(C)[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 25928534 ZNEZSXDMHGVPRW-SFHVURJKSA-N 352.394 4.132 5 40 FIBB C[C@@H](OCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 32907551 NYKKQBBYTAKRAW-CYBMUJFWSA-N 362.813 4.146 5 40 FIBB CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 217898710 HDOLEZBCFCRWDS-NTEUORMPSA-N 352.434 4.480 5 40 FIBB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 6998337 BQEUMOACFNTUFC-ATVHPVEESA-N 350.374 4.237 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])s2)cs1 10105318 WQSNYZCNYTTYLH-UHFFFAOYSA-N 359.432 4.018 5 40 FIBB C[C@H]1CCCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)C1 10541065 CJTPTZPIKWIPQX-RZKQZQCBSA-N 350.418 4.394 5 40 FIBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)c3ccc(C)cc3)ccc12 11865388 YUOMQAXAHWMXLS-UHFFFAOYSA-N 360.365 4.482 5 40 FIBB O=[N+]([O-])c1ccc(CCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 42128667 YUVPTMBTVCORDB-UHFFFAOYSA-N 366.402 4.461 5 40 FIBB O=c1[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3c(c12)CCCC3 46701835 HHXKLZQYQSQDHB-UHFFFAOYSA-N 361.810 4.092 5 40 FIBB O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 2622855 LGPYNHFGJHVHAC-UHFFFAOYSA-N 352.419 4.345 5 40 FIBB Cc1cccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1[N+](=O)[O-] 12575776 ZKFYMJDGGXVKRD-UHFFFAOYSA-N 364.405 4.232 5 40 FIBB CC[C@H](NC(=O)CCCNc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 12562244 OIXPQYDSSVOFLY-KRWDZBQOSA-N 355.438 4.363 5 40 FIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(Cl)(Cl)Cl 408624761 ZTIZZBLDVOOAAX-UHFFFAOYSA-N 366.613 4.027 5 40 FIBB CSc1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2C)n1-c1ccccc1 12548159 LPXCXLDXWXCMFI-UHFFFAOYSA-N 368.418 4.063 5 40 FIBB O=C(OCc1nc2ccccc2c2ccccc12)[C@@H]1COc2ccccc2O1 6590437 HCPKVUQNMBUNTF-QFIPXVFZSA-N 371.392 4.271 5 40 FIBB COc1c(OC(F)F)ccc(CN(C)c2cccc(C)c2)c1[N+](=O)[O-] 96003670 ASSMWPFKPPCOTR-UHFFFAOYSA-N 352.337 4.150 5 40 FIBB O=C(c1ccc2nc3ccccc3nc2c1)N1CC[C@@H](c2ccccc2)C1 408977299 VGYRINFPKYVHOL-GOSISDBHSA-N 353.425 4.413 5 40 FIBB CSc1ccc(C(=O)OCCOc2ccccc2Cl)cc1[N+](=O)[O-] 5368166 XWPPRVRQZIOGAC-UHFFFAOYSA-N 367.810 4.206 5 40 FIBB Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 4138470 VVYQYDAKANVQFM-UHFFFAOYSA-N 365.418 4.164 5 40 FIBB O=C(c1ccccc1)c1ccc(NCCCOCC2CC2)c([N+](=O)[O-])c1 8746996 KBWFRZCYJXJTSP-UHFFFAOYSA-N 354.406 4.054 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 14207177 GZXCUOBRCXDSBI-UHFFFAOYSA-N 369.352 4.269 5 40 FIBB O=Cc1cn(C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc12 226766874 NYMTUXJRQAIHPJ-UHFFFAOYSA-N 360.325 4.311 5 40 FIBB Cc1ccc2nc(N3CC[N+]4(CCCC4)CC3)nc(-c3ccccc3)c2c1 2227839 OHULNBGSZGURFO-UHFFFAOYSA-N 359.497 4.036 5 40 FIBB Cc1cccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c1[N+](=O)[O-] 12239879 HESQATJXELLYDC-UHFFFAOYSA-N 352.346 4.224 5 40 FIBB Cc1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 12521519 AZMBDBFQNMKZSU-UHFFFAOYSA-N 358.397 4.007 5 40 FIBB Cc1cc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc12 12841461 CTVUEINPKLXFQL-UHFFFAOYSA-N 371.393 4.321 5 40 FIBB O=C(NCCSCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl 7637794 KSZIFGAFEDGSOX-UHFFFAOYSA-N 368.817 4.051 5 40 FIBB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1 8471193 ABYKLLPGCSCJHP-RCCQNZRSSA-N 372.380 4.043 5 40 FIBB CSc1nsc(SC)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 2485148 AUDDPXSCKNCKKX-UHFFFAOYSA-N 356.454 4.139 5 40 FIBB CCc1cccc(CC)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 5043320 QDJAXVKARATIFR-UHFFFAOYSA-N 366.373 4.078 5 40 FIBB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 8586784 CIGONWDLTMECCH-LBPRGKRZSA-N 359.451 4.455 5 40 FIBB CCCCOc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 2024566 KQAUXTMHXIDNMC-QGOAFFKASA-N 366.373 4.118 5 40 FIBB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 19932732 OZOOWRSCJJTEDU-AWEZNQCLSA-N 364.785 4.053 5 40 FIBB O=C(OCc1nc2ccccc2c2ccccc12)[C@H]1COc2ccccc2O1 6590438 HCPKVUQNMBUNTF-JOCHJYFZSA-N 371.392 4.271 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cnn(-c2ccccc2)c1 9113572 SJSHNMAJDCMLLR-UHFFFAOYSA-N 362.311 4.411 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 15541785 NQXGMHDWTYQGBM-INIZCTEOSA-N 367.430 4.111 5 40 FIBB CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 20490635 OMNGMMSETQLDOW-GOSISDBHSA-N 358.463 4.404 5 40 FIBB CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 408629041 JKVJJJQBXFKWAO-UHFFFAOYSA-N 363.801 4.330 5 40 FIBB COc1cccc(CN2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1 19882393 FVCUVBHQRHLIOV-UHFFFAOYSA-N 373.408 4.307 5 40 FIBB CCN(CC)c1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] 20897745 PDDCZQYYBALVGR-UHFFFAOYSA-N 368.393 4.167 5 40 FIBB Cc1nn(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 7990463 JADKAUGZDJNBTI-UHFFFAOYSA-N 374.400 4.439 5 40 FIBB COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn2C)c1 12579344 RWZBGYWXWGGYAA-QGZVFWFLSA-N 372.812 4.192 5 40 FIBB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc([N+](=O)[O-])c1C 24503026 PUFPTTCWYWANQD-UHFFFAOYSA-N 351.362 4.048 5 40 FIBB CN(C)c1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3512750 WGASDEVENYAKPX-UHFFFAOYSA-N 373.408 4.369 5 40 FIBB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1[N+](=O)[O-] 13847566 PEELXVYDRGMSRD-UHFFFAOYSA-N 373.368 4.333 5 40 FIBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCSCC1 408976791 TYNKKIBEFPZNJP-UHFFFAOYSA-N 365.483 4.187 5 40 FIBB C[C@H](OCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 32907552 NYKKQBBYTAKRAW-ZDUSSCGKSA-N 362.813 4.146 5 40 FIBB C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 7780711 AJYPRXBNAPFXNA-VIFPVBQESA-N 372.274 4.159 5 40 FIBB O=[N+]([O-])c1ccc(NCCCc2nc3ccccc3[nH]2)c(OC(F)F)c1 95468700 XYMHDKIQJLOADF-UHFFFAOYSA-N 362.336 4.117 5 40 FIBB COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(C)c2[N+](=O)[O-])cc1 4179492 NGGSZFGDJUBHBL-UHFFFAOYSA-N 365.393 4.497 5 40 FIBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)c3ccco3)ccc12 5548495 HDSDPWVPTZSCOE-UHFFFAOYSA-N 350.326 4.075 5 40 FIBB O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 20031381 OZLWTXWFEISGPP-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])o1 32796311 MNWQQNYCGGMSIB-UHFFFAOYSA-N 356.309 4.158 5 40 FIBB CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC 3345134 WPIMOOJVDZKXLJ-UHFFFAOYSA-N 358.394 4.343 5 40 FIBB COc1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5174213 LNXOAJANZUUHLA-UHFFFAOYSA-N 357.244 4.274 5 40 FIBB Nc1nc(Nc2cccc(F)c2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 17207619 ZJGIDIWSILIFST-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB CCOC(=O)c1cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2s1 40082305 POQGMMBTPNKYCO-UHFFFAOYSA-N 370.386 4.239 5 40 FIBB C[C@@H](Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 52937899 XHFIBDGXWNXPJZ-HUUCEWRRSA-N 368.437 4.178 5 40 FIBB O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c([N+](=O)[O-])c1 104374836 QNLBGGJUQVTXJB-UHFFFAOYSA-N 373.199 4.222 5 40 FIBB Cc1ccc(N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 219856709 DLBXNBMOWUNTOV-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C1c2ccccc2Oc2ccccc21 1100047 WPXYVCSUJHULNH-UHFFFAOYSA-N 372.336 4.086 5 40 FIBB Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 3220757 XONFRAKHBYHVES-UHFFFAOYSA-N 368.418 4.338 5 40 FIBB Cc1ccc(SC(=O)NCCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 19894537 CTPPNOVWIUECKV-UHFFFAOYSA-N 366.826 4.437 5 40 FIBB Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)Nc3ccccc3)c12 36618425 YFYDFFKLJJIFRC-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCSc1ccccc1 40068722 VQOXXKUGXFSAGV-HNNXBMFYSA-N 373.478 4.480 5 40 FIBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C)n1 225859882 IWQJYLOAGDTYAD-UHFFFAOYSA-N 369.421 4.147 5 40 FIBB O=C1OC(c2cccc(Cl)c2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 13551576 FHEMEBNQIKAHEJ-UQSVOVAVSA-N 354.749 4.149 5 40 FIBB CC1(C)C[C@@H](C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)CCO1 627909 LLGJIUDIWXHKSJ-AWEZNQCLSA-N 366.413 4.099 5 40 FIBB biogenic COc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 11055870 PEZRAUZWOMHRJW-LBPRGKRZSA-N 358.419 4.135 5 40 FIBB O=C(Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)c1ccccc1 6595299 QTEKNRNVFQWQOB-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB COc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 11055869 PEZRAUZWOMHRJW-GFCCVEGCSA-N 358.419 4.135 5 40 FIBB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24235748 SIGPTSAVIGNFEQ-ZDUSSCGKSA-N 359.451 4.090 5 40 FIBB Cn1c(=O)c2ccccc2n2c(C(=O)c3ccc(F)cc3)c3ccccc3c12 3211996 SUIJQBKALKKSDO-UHFFFAOYSA-N 370.383 4.315 5 40 FIBB O=[N+]([O-])c1c(Nc2ccccc2Cl)cc(N2CCCC2)c2nonc12 4863026 LJQGXSLDYLKFIZ-UHFFFAOYSA-N 359.773 4.128 5 40 FIBB CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc21 58162801 NHQQWXODDYLIFC-FQEVSTJZSA-N 350.422 4.302 5 40 FIBB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225082503 IIWCIVSVARFIJD-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc4ccccc4o3)nc12 3178141 LSPFAVPOKYIAQM-UHFFFAOYSA-N 369.358 4.212 5 40 FIBB Cc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c([N+](=O)[O-])c1 4387965 ZARLOZKQWPHGBM-RAXLEYEMSA-N 361.195 4.278 5 40 FIBB Cc1cccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c1[N+](=O)[O-] 8709900 AMIWEMOHJBHKBJ-UHFFFAOYSA-N 368.418 4.040 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 16101177 FPNWZQDXUSMKBR-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 19159387 VJBJOGYWGRPOQB-UHFFFAOYSA-N 362.385 4.452 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20038432 AIHQSPJSMJRVLT-CYBMUJFWSA-N 358.394 4.133 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCCCCC2)cc1 38853957 ZABSTJCEPKRINL-UHFFFAOYSA-N 353.422 4.223 5 40 FIBB O=[N+]([O-])c1cccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 102799538 WWMVFDUIGQLARG-HNNXBMFYSA-N 371.759 4.035 5 40 FIBB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])s1 10290988 CNJVEECLYWOUKH-HNNXBMFYSA-N 362.407 4.376 5 40 FIBB CSc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] 12855316 GBVOODJORMEFIA-UHFFFAOYSA-N 360.410 4.261 5 40 FIBB CN(Cc1ccc(C(C)(C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12989939 ZRYBAPWEIBMFDY-UHFFFAOYSA-N 370.449 4.391 5 40 FIBB COc1ccc(Cl)c2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 5256580 UFTWCEUJLWRRTF-UHFFFAOYSA-N 369.811 4.180 5 40 FIBB O=[N+]([O-])c1ccc2ncccc2c1CCc1c([N+](=O)[O-])ccc2ncccc12 1857405 ZEBXQNPPSLVDEJ-UHFFFAOYSA-N 374.356 4.385 5 40 FIBB in-vitro CCN(CC)c1cc(Nc2cc(C)ccc2C)c([N+](=O)[O-])c2nonc12 4116737 JWGHOZVWNJULRS-UHFFFAOYSA-N 355.398 4.338 5 40 FIBB N=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4795890 BNVNZGPXILVVIH-UHFFFAOYSA-N 365.370 4.317 5 40 FIBB C[C@H](Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 9095379 FRROLFMDMXWEEW-GFCCVEGCSA-N 368.418 4.045 5 40 FIBB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc([N+](=O)[O-])c1 14122215 FFDQAERQSIJVHX-UHFFFAOYSA-N 361.329 4.249 5 40 FIBB CCN(CC)C(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100872933 UAOYQUYWIPUIET-RKAKKKFESA-N 356.466 4.301 5 40 FIBB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215014884 UPMCEBMBFRLSRK-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1[N+](=O)[O-] 225130816 DPJQBTKJSLAUEY-UHFFFAOYSA-N 371.418 4.113 5 40 FIBB Cc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1[N+](=O)[O-] 4587882 AOEAIPMKXNCVDZ-YVLHZVERSA-N 350.374 4.371 5 40 FIBB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc([N+](=O)[O-])cc1Cl 46864834 DBLQXNBEQVDIAY-UHFFFAOYSA-N 374.809 4.349 5 40 FIBB O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C2(CCCCC2)O1 2259072 RJNQWRLBZVRUKN-AWEZNQCLSA-N 358.419 4.452 5 40 FIBB Cc1ccc(Oc2ccc3c4c(cccc24)C(=O)N(C)C3=O)c([N+](=O)[O-])c1 5380030 SLXZRYGNYJUFJF-UHFFFAOYSA-N 362.341 4.075 5 40 FIBB COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1OC 72229480 MHDBGNPOBFBSRE-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB COc1cc(Cl)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408566015 DOKBUOCMZRPBMW-CQSZACIVSA-N 360.797 4.247 5 40 FIBB O=C(Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3195784 AHTKSNIRZBHROT-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB CSc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 7314389 MQPNEXLDADVPGE-UHFFFAOYSA-N 371.462 4.172 5 40 FIBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1SC[C@@H]1CCCO1 7627063 MHEPFGDOPCYLIS-INIZCTEOSA-N 373.430 4.223 5 40 FIBB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 8040959 IFJGDNCFFZJTCP-OAHLLOKOSA-N 364.785 4.053 5 40 FIBB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 44886258 MHBCDMNOPOXMIN-GOSISDBHSA-N 356.422 4.429 5 40 FIBB Cc1nc2ccc3nc(NC(=O)c4ccccc4[N+](=O)[O-])sc3c2s1 4031615 WOZPWDUZAGGFTF-UHFFFAOYSA-N 370.415 4.375 5 40 FIBB O=C(Nc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 97165893 UTVLELFYAGSBJH-UHFFFAOYSA-N 350.324 4.212 5 40 FIBB CC[C@@H](OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 4416217 CYURGZSPOCXTGB-BLLLJJGKSA-N 357.362 4.032 5 40 FIBB O=C(NCc1ccco1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 409002833 WQDXGCFDUZSTLI-UHFFFAOYSA-N 357.373 4.179 5 40 FIBB COc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 226237583 DXUOLNTWVSSJPB-UHFFFAOYSA-N 363.167 4.483 5 40 FIBB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 841571 UFEHKWSKEYDGLT-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1cnc(-c2ccccc2)o1 1056229 BOOKLFBANVRXKD-DHZHZOJOSA-N 350.330 4.006 5 40 FIBB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 8791323 RNOJEZMOJZBIAD-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5476034 LKJODRBRIIALNA-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 17074172 OWXLFROVWIRKIP-UHFFFAOYSA-N 359.813 4.096 5 40 FIBB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2n1 4221299 YJOOJWGGGVFASR-UHFFFAOYSA-N 369.402 4.005 5 40 FIBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 9063960 XPGQHTKZAYRRGM-UHFFFAOYSA-N 362.345 4.292 5 40 FIBB Cc1ccccc1CN1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 39755948 VTQVWFMWRJMBIR-UHFFFAOYSA-N 367.449 4.062 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccc(O)cc1)Cc1ccco1 58323170 ZOGRRDXZLYQSDF-UHFFFAOYSA-N 367.361 4.128 5 40 FIBB CC(C)c1ccc(/C=C/C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1 73642530 IMKTXKJJFMBTAH-BJMVGYQFSA-N 363.417 4.197 5 40 FIBB Cc1nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc1-c1ccccn1 12553510 ILVPADVUAVWTJS-JXMROGBWSA-N 366.402 4.074 5 40 FIBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1 6595723 ZKZSCVGZMXWAFS-GOSISDBHSA-N 367.382 4.437 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 2067637 DRTIDBWWYVBYEO-MRXNPFEDSA-N 365.216 4.357 5 40 FIBB CC(C)C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 25370164 VGNLHENWJSDYDS-UHFFFAOYSA-N 350.378 4.481 5 40 FIBB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12673287 JWTIOSNMPJDLQD-KZULUSFZSA-N 373.840 4.316 5 40 FIBB COc1cccc(C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)c1 2254466 ICBUJAOXVPTQNL-UHFFFAOYSA-N 360.365 4.482 5 40 FIBB O=[N+]([O-])c1cc(Br)c(O)c(-c2nc3ccccc3s2)c1 409188936 KUEKGHWPHAXRQC-UHFFFAOYSA-N 351.181 4.340 5 40 FIBB CC(C)NC(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313194 FMGWBLSASSWMDG-UHFFFAOYSA-N 368.487 4.009 5 40 FIBB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783281 GJINKOVZNZEZAR-UHFFFAOYSA-N 362.451 4.044 5 40 FIBB O=C(NCCCn1ccc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl 12608186 KMLBMSUCUZAVBW-UHFFFAOYSA-N 357.797 4.023 5 40 FIBB COc1ccccc1CNC(=O)c1oc(-c2cccc([N+](=O)[O-])c2)cc1C 9668247 OPSMTGBLZXYIJI-UHFFFAOYSA-N 366.373 4.102 5 40 FIBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 7889456 QMQRTYZKDQPGNK-FQEVSTJZSA-N 359.385 4.362 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223469791 DTPTUQYAZQLYIP-AWEZNQCLSA-N 354.406 4.188 5 40 FIBB CCN(CC)Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6949714 HJIXJAQSHKZZSN-UHFFFAOYSA-N 361.829 4.342 5 40 FIBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1O 6639697 ZDKPZAWZJIEBEY-ZZXKWVIFSA-N 358.375 4.098 5 40 FIBB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8480584 AGXRBPFEFZQRKF-CQSZACIVSA-N 364.785 4.053 5 40 FIBB CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 40139388 IKZXTXXLJDFQPL-UHFFFAOYSA-N 369.396 4.095 5 40 FIBB Cc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C 4193170 WOKWOXLNVYXFJG-LWLIDHTLSA-N 369.446 4.084 5 40 FIBB CN(CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c2cnccc12 12557956 FZXAYIDFMSELAP-UHFFFAOYSA-N 357.797 4.312 5 40 FIBB COc1cc2cc3c4ccc(OC)c(OC)c4cc[n+]3c(C)c2cc1OC 1735200 GDWMQAOIMHCNTB-UHFFFAOYSA-N 364.421 4.075 5 40 FIBB Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)Nc1cccc2ccccc12 2290810 RAHAFXDDITXLFD-UHFFFAOYSA-N 352.394 4.031 5 40 FIBB CCOc1ccc(NC(=O)c2ccc(Br)s2)c([N+](=O)[O-])c1 4339474 BIOHANWACXVNAQ-UHFFFAOYSA-N 371.212 4.070 5 40 FIBB O=C(Nc1cccc2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 6550382 FSAWKPPSTYEYQR-UHFFFAOYSA-N 358.357 4.186 5 40 FIBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 3560938 GIOSGZHUVDCIJE-UHFFFAOYSA-N 360.675 4.399 5 40 FIBB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 7401192 VQKFGPXQHWYAGC-JTQLQIEISA-N 366.826 4.376 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)c1ccccc1 218159177 SIBZEDKRSPRBRR-UHFFFAOYSA-N 360.369 4.007 5 40 FIBB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 11759608 TUBOPDLIHNOTPL-UHFFFAOYSA-N 370.386 4.223 5 40 FIBB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])cc1 5064770 KDILOMJZUBNWIP-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB O=Cc1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12 226767995 NQVPADNYIYAAQE-UHFFFAOYSA-N 360.325 4.311 5 40 FIBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(F)cc1 14911201 FOXIRKMJPHFUKK-UHFFFAOYSA-N 357.366 4.418 5 40 FIBB CSc1nsc(SC)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1 5191317 KJFZVZYOKMLILU-UHFFFAOYSA-N 356.454 4.139 5 40 FIBB Cc1ccc(Cl)cc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 408727540 QIJIEJANXKIRMK-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257847 SPLMDGGTFZWJAF-UHFFFAOYSA-N 358.357 4.390 5 40 FIBB CCCCn1c(=O)nc2n(-c3c(C)cccc3C)c3ccccc3cc-2c1=O 2124407 XJWQWTVWBPAMOQ-UHFFFAOYSA-N 373.456 4.069 5 40 FIBB COc1nc2ccc(C)cc2cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 5529052 TURYEXTXTDQITQ-UHFFFAOYSA-N 362.345 4.177 5 40 FIBB COc1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c([N+](=O)[O-])c1 7715344 DKDGNYLGGZBGET-DDUZABMNSA-N 364.442 4.019 5 40 FIBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 31317288 BEOLGXFBGLAZDN-UHFFFAOYSA-N 370.352 4.480 5 40 FIBB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3115440 RDFGIXVYIVCGKS-UHFFFAOYSA-N 363.329 4.007 5 40 FIBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 5046123 BFZTUMLBYZXNHR-VBHSOAQHSA-N 362.382 4.122 5 40 FIBB Cc1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cc1[N+](=O)[O-] 97987544 HAMKDMSKXQWZBJ-VCHYOVAHSA-N 358.353 4.401 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)c1ccccc1 217887777 BNKVSAKPTWXIPP-BUHFOSPRSA-N 372.380 4.478 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc2ccccc12 222827721 HAWODLCDMZRQGJ-UHFFFAOYSA-N 366.442 4.298 5 40 FIBB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2638842 HLBVRANXNVQUCF-UHFFFAOYSA-N 358.394 4.162 5 40 FIBB CC(=O)N(c1ccccc1)c1nc(COc2ccc([N+](=O)[O-])cc2)cs1 6905235 FAWZQIHSAVQVKU-UHFFFAOYSA-N 369.402 4.315 5 40 FIBB COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1[N+](=O)[O-] 20026681 CNYPWUYFXYRESQ-KRWDZBQOSA-N 370.405 4.212 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 1475788 GBDJYIWSYOPKHF-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB O=C(CCSc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 3530304 NTPKMQWRYPRXPA-UHFFFAOYSA-N 351.811 4.474 5 40 FIBB O=[N+]([O-])c1ccccc1NC1=NN=C(c2cc3ccccc3o2)CS1 7849749 AESUSPXITYHCDQ-UHFFFAOYSA-N 352.375 4.260 5 40 FIBB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 408629307 WIGWMAKRHZRRPM-AWEZNQCLSA-N 369.421 4.235 5 40 FIBB O=C1c2cccc3cccc(c23)C(=O)N1Nc1ccc(Cl)cc1[N+](=O)[O-] 4696713 GKFWQPONWYUSCI-UHFFFAOYSA-N 367.748 4.025 5 40 FIBB Cc1ccc(OCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2885614 XVQFOQIDVHGBKU-UHFFFAOYSA-N 360.365 4.239 5 40 FIBB Cc1cccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 21125551 MXMMUMHAAHEOBS-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 218048749 CAVZPJRTCUICAM-HNNXBMFYSA-N 358.463 4.322 5 40 FIBB O=C(Nc1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 42645463 SYOGVIKNPRTFHX-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB Cc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1[N+](=O)[O-] 4507971 PJUJROORQZLYNK-WQRHYEAKSA-N 358.353 4.401 5 40 FIBB Cc1nc(C)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)s1 6366880 DGPDAOLXHJOVAC-UHFFFAOYSA-N 365.410 4.377 5 40 FIBB COc1ccc(Nc2ccc([N+](=O)[O-])cc2OC)cc1Br 19872983 QKWGZBNOYCQFND-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24235741 SIGPTSAVIGNFEQ-CYBMUJFWSA-N 359.451 4.090 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSC1CCCCC1 409027597 MKZHBNUZTQFGQL-UHFFFAOYSA-N 368.524 4.010 5 40 FIBB Cc1sc2nc3c4ccccc4c(N4CCCCC4)nn3c(=O)c2c1C 719322 QNNQJKHLYLQYBL-UHFFFAOYSA-N 364.474 4.065 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 2621572 KYDPGLNKWYYRPC-UHFFFAOYSA-N 372.324 4.224 5 40 FIBB CCN(CC)CCNc1c(OC)cc(C)c2sc3ccccc3c(=O)c12 5390091 PIASGGLJPMCCPP-UHFFFAOYSA-N 370.518 4.485 5 40 FIBB Cc1cc(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc12 5659877 SKTMUVMMPUOMGO-UHFFFAOYSA-N 353.403 4.182 5 40 FIBB COc1cc2c(cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCCC2 408924390 IGPAMDHQQXHZFO-UHFFFAOYSA-N 360.797 4.388 5 40 FIBB COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 1515919 DUWXNGSZHCDREW-ZDUSSCGKSA-N 355.394 4.440 5 40 FIBB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1cccc([N+](=O)[O-])c1 6225103 DKFZACVMOIZPBV-CAOOACKPSA-N 352.390 4.107 5 40 FIBB COc1ccc(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 13009569 RAICEZDHXFPHTB-UHFFFAOYSA-N 356.403 4.326 5 40 FIBB O=[N+]([O-])c1ccc2oc(SCc3cn4cc(Cl)ccc4n3)nc2c1 26442510 HDYWCVKQRAKKJQ-UHFFFAOYSA-N 360.782 4.329 5 40 FIBB C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc([N+](=O)[O-])c1 80054241 YDMSMLAUYPJDMV-KXBFYZLASA-N 368.437 4.378 5 40 FIBB CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2 2272779 WOHKZAFFWQFDQP-LJQANCHMSA-N 367.361 4.033 5 40 FIBB Cc1cccc2sc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)nc12 58421804 GPLYEDYWSKDXMR-UHFFFAOYSA-N 366.402 4.106 5 40 FIBB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 79051014 VNQUVITUDCHWDT-UHFFFAOYSA-N 365.311 4.387 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(Br)cc1 4078802 WRAONOVDCVNINC-FNORWQNLSA-N 353.197 4.071 5 40 FIBB CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc([N+](=O)[O-])c1 4691353 XCHCODVIQZJJEB-HXUWFJFHSA-N 363.417 4.472 5 40 FIBB C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)Oc1nonc1-c1ccccc1 5357307 MHWSBFTWKNNKES-LLVKDONJSA-N 374.784 4.178 5 40 FIBB O=[N+]([O-])c1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 8768309 CKJXWRQNUVGODO-UHFFFAOYSA-N 367.752 4.145 5 40 FIBB Cc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])c2cccnc12 222376936 HVQDJZCNJBQPEL-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2ccccc2)cc1 1775971546 TVYBPXYPTACVAC-UHFFFAOYSA-N 362.341 4.212 5 40 FIBB O=C(c1nccn1-c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 6659281 FVZNONVAJWDQHL-UHFFFAOYSA-N 351.406 4.180 5 40 FIBB CCN(C(C)=O)c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1 8705379 LSQGRNZKCNILLO-QPJJXVBHSA-N 374.447 4.204 5 40 FIBB CCCCn1c(=O)nc2n(-c3ccc(C)c(C)c3)c3ccccc3cc-2c1=O 2259591 SRWUERIPMYKJEZ-UHFFFAOYSA-N 373.456 4.069 5 40 FIBB C[N+](C)(Cc1ccccc1Cl)C[C@@H](O)CNc1ccccc1Cl 3148558 OONHIVVWTCZCMJ-HNNXBMFYSA-N 354.301 4.043 5 40 FIBB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4868257 IRJDSEBXYXNPKG-HZPDHXFCSA-N 359.470 4.378 5 40 FIBB CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 5793702 KSHNKOMJWQKGDG-VZUCSPMQSA-N 356.378 4.044 5 40 FIBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C 6215706 QDAZVMZXGXSKBR-UHFFFAOYSA-N 350.168 4.193 5 40 FIBB CCOc1ccc(NC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 6439643 HYDSFLSQFFGUOF-UHFFFAOYSA-N 358.379 4.247 5 40 FIBB COc1ccc(Oc2ncnc3sc4c(c23)CCCC4)c([N+](=O)[O-])c1 14200603 XYTZOLFQVIRPNR-UHFFFAOYSA-N 357.391 4.279 5 40 FIBB CN(Cc1ccc(-n2cccn2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl 36727336 CTCGWWKOHGARMN-UHFFFAOYSA-N 356.813 4.066 5 40 FIBB Cc1occc1-c1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)o1 48363511 OMHOADYQYSPSJT-UHFFFAOYSA-N 361.379 4.107 5 40 FIBB Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)s1 95954640 XWBZYNUOTGHJAD-ZDUSSCGKSA-N 359.451 4.374 5 40 FIBB CC(C)Oc1ccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 217887956 CJAANTRRBPTCIM-JLHYYAGUSA-N 368.433 4.144 5 40 FIBB CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(C)c1 225621577 CVMRSJUFQWAOOI-NUCSPZLJSA-N 354.406 4.193 5 40 FIBB CCN(CC)CCNc1ccc(C)c2sc3c(OC)cccc3c(=O)c12 5390320 HRBKMMIXKMQPLR-UHFFFAOYSA-N 370.518 4.485 5 40 FIBB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5606949 VODGKCSSEODSBW-UHFFFAOYSA-N 357.435 4.019 5 40 FIBB C[C@H]1CCC[C@@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1 16968605 WUXYHGRAKMMVOK-NJEHHLDASA-O 365.541 4.256 5 40 FIBB COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 40068821 ZGALPXSWUCNAAM-HUUCEWRRSA-N 371.437 4.375 5 40 FIBB C[C@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cccc([N+](=O)[O-])c1 57281648 FEUVPVHBLGBFDY-VIFPVBQESA-N 372.431 4.010 5 40 FIBB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 3236346 WVESKOZZWBWVMK-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4331055 WRQMEPRYCRUMPW-UHFFFAOYSA-N 369.377 4.114 5 40 FIBB CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 8286179 PACPFZAIAYCNBY-UHFFFAOYSA-N 358.394 4.425 5 40 FIBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)c1 12080457 LSNQSDKXABQFFM-PZJWPPBQSA-N 372.384 4.232 5 40 FIBB O=C(N[C@H](c1cccs1)C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 32397765 CSFQSIXMIQIHDZ-INIZCTEOSA-N 370.434 4.194 5 40 FIBB CC(=O)c1ccc(Nc2ccc(Oc3cnccn3)cc2)c([N+](=O)[O-])c1 48262414 ANCVVQABBTWFIC-UHFFFAOYSA-N 350.334 4.123 5 40 FIBB CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc([N+](=O)[O-])cc1 4691199 VUVITUIIEFNIMF-HXUWFJFHSA-N 363.417 4.472 5 40 FIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(F)c1 8711009 WKQNMIPFCZUVJF-UHFFFAOYSA-N 364.351 4.072 5 40 FIBB Cc1c(NC(=O)CN(C)Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] 12935854 ZRBHEPHYYNUCGD-UHFFFAOYSA-N 363.417 4.127 5 40 FIBB CC(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 23120532 PKLKAJCGKHMLSN-UHFFFAOYSA-N 355.375 4.020 5 40 FIBB Cc1ccc(C(=O)NCCSc2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] 2721108 AGMGENGONYQXHT-UHFFFAOYSA-N 369.446 4.215 5 40 FIBB C[C@H](Sc1nnc(Cc2cccs2)n1C)c1cccc([N+](=O)[O-])c1 7822120 RKWKJJKNZFDODH-NSHDSACASA-N 360.464 4.229 5 40 FIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)c(C)c1 72228844 OZHTWYTVUXVQIK-UHFFFAOYSA-N 362.813 4.445 5 40 FIBB COc1ccc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 408974247 DONCAJPCQKZAGP-UHFFFAOYSA-N 369.380 4.492 5 40 FIBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccccc2)cs1 846066 ZFEKMKNVEWAFBR-UHFFFAOYSA-N 350.355 4.492 5 40 FIBB CCN(Cc1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 2783759 YLPLQHAUULKDDG-UHFFFAOYSA-N 353.466 4.081 5 40 FIBB Cc1noc(C[C@@H](CC(=O)c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 19801703 OADBFGDVEVMULZ-QGZVFWFLSA-N 350.374 4.491 5 40 FIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(CCc1ccccc1)C3 19882463 QMUAMDYXCZAVGZ-UHFFFAOYSA-N 357.409 4.341 5 40 FIBB biogenic CC(=O)NCc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 55050562 CYIKYJKDEGTQJJ-UHFFFAOYSA-N 359.432 4.083 5 40 FIBB O=[N+]([O-])c1cncc(Cl)c1OCc1ccn(-c2ccc(Cl)cc2)n1 506545338 JDGKBMARRRALST-UHFFFAOYSA-N 365.176 4.061 5 40 FIBB CCc1c(C)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c1C 1061333 LGBXVUJEOAWJEC-UHFFFAOYSA-N 355.419 4.197 5 40 FIBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2ccccc12 3416221 BLRDULHJJBBGNL-UHFFFAOYSA-N 356.765 4.419 5 40 FIBB O=C(CCc1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6227632 UQVXODOWGYQKGZ-UHFFFAOYSA-N 353.403 4.290 5 40 FIBB O=C1C/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1c1cccc2ccccc12 9484722 JDHSRQRPTQQYGM-JLHYYAGUSA-N 364.382 4.156 5 40 FIBB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] 18194524 LXTXIYSHYBSPDY-UHFFFAOYSA-N 361.357 4.470 5 40 FIBB CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(C(C)(C)C)cc2c1Br 1776011211 OHKROJHATQDHEB-UHFFFAOYSA-N 369.215 4.313 5 40 FIBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc([N+](=O)[O-])c1 1518342 UUGRYGNYUAJSAK-UHFFFAOYSA-N 351.387 4.069 5 40 FIBB CCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 6758819 OHPMBICDTNZTDM-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20486624 PIJSVGKXZVCUDO-HNNXBMFYSA-N 352.749 4.183 5 40 FIBB O=[N+]([O-])c1ccc2nc(-c3ccc(I)cc3)oc2c1 73640044 RGLFUUUYRGMERI-UHFFFAOYSA-N 366.114 4.008 5 40 FIBB CSc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 819094 DHWPUXPBPRVLEA-UHFFFAOYSA-N 354.435 4.329 5 40 FIBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1 3554301 DNDKGFFLXWVXPC-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB Cc1ccc(COC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)cc1 226072740 JSELTMYUAGMOMG-XMMPIXPASA-N 368.541 4.464 5 40 FIBB Cc1cccn2c(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)nc12 5023352 VMXCLYHHLOOEDA-UHFFFAOYSA-N 372.384 4.470 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc2ccccc12 6010572 KFVYGTTUMVLEDO-ZDUSSCGKSA-N 366.373 4.163 5 40 FIBB CN(C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 6247446 UFLFXZFPLGJCGH-INIZCTEOSA-N 353.344 4.328 5 40 FIBB Cc1ccc([C@H](NC(=O)Nc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 40153421 ISTDKGQZFYQDJM-AWEZNQCLSA-N 353.300 4.328 5 40 FIBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])o1 46873973 GHTHLOSORVYPNB-UHFFFAOYSA-N 369.299 4.059 5 40 FIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 214164069 JEVMLSSVDRDAMU-KPKJPENVSA-N 364.766 4.078 5 40 FIBB C[C@@H]1CCc2c(sc3ncnc(OCc4ccc([N+](=O)[O-])cc4)c23)C1 3310865 CSSRCHNVAMGIMQ-LLVKDONJSA-N 355.419 4.303 5 40 FIBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(F)cccc1Cl 4678378 WDTUXVNSOSJOJM-UHFFFAOYSA-N 360.776 4.400 5 40 FIBB COc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 5034541 VLCGQODBWYLEKU-UHFFFAOYSA-N 356.309 4.255 5 40 FIBB Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 6084167 SRIPGOXLGUXCDK-UHFFFAOYSA-N 365.433 4.267 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2F)o1 40130885 BOEVRXZXYZRVTJ-UHFFFAOYSA-N 356.309 4.158 5 40 FIBB CCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 936402 PAKQUWRLIPYHPK-PKNBQFBNSA-N 356.378 4.044 5 40 FIBB Cc1c(C(=O)Nc2ccccc2N2CCC(C)CC2)cccc1[N+](=O)[O-] 9192380 CIDCKJATZFXXMQ-UHFFFAOYSA-N 353.422 4.392 5 40 FIBB Cc1ccc(SC(=O)NCCOc2ccccc2Cl)c([N+](=O)[O-])c1 19894536 DTQYYXXJXDRIBA-UHFFFAOYSA-N 366.826 4.437 5 40 FIBB COc1cccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 59475469 AOPBKNCMGLVYBL-UHFFFAOYSA-N 356.300 4.113 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cccc(C)c4o3)nc12 57352705 AKEQOHGUJMBTTR-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c12 24371223 UYJQSHNSRMKOMK-UHFFFAOYSA-N 368.418 4.346 5 40 FIBB Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)no2)cc1F 8587227 ANGVOXMYXUHDFN-UHFFFAOYSA-N 355.325 4.258 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 222818720 WPRQLAFYTUBSRS-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 12906860 JNTNQPOLUIRSHU-UHFFFAOYSA-N 353.422 4.472 5 40 FIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c(C)oc2ccc(OC)cc12 45032217 FWMSYMYCTGOOKH-UHFFFAOYSA-N 368.389 4.320 5 40 FIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F 27359030 UZROGWADPLSSAU-CQSZACIVSA-N 350.321 4.077 5 40 FIBB COc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 59475468 WJYUZBCFEBECRU-UHFFFAOYSA-N 356.300 4.113 5 40 FIBB CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2 1742103 WOHKZAFFWQFDQP-IBGZPJMESA-N 367.361 4.033 5 40 FIBB COc1ccc(-c2nc(COc3cc(F)ccc3[N+](=O)[O-])cs2)cc1 7005448 GOODOTTZIJXLHF-UHFFFAOYSA-N 360.366 4.445 5 40 FIBB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 408585863 JORFEEXRIRLKJN-UHFFFAOYSA-N 361.766 4.231 5 40 FIBB O=C(COC(=O)c1ccccc1-c1ccccc1[N+](=O)[O-])c1ccccc1 855976 INNFJMSJOFKSIW-UHFFFAOYSA-N 361.353 4.302 5 40 FIBB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3289649 RVFOYUGCQDKCAL-UHFFFAOYSA-N 374.393 4.230 5 40 FIBB O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1ccc([N+](=O)[O-])cc1 11164328 RSSFCZVDCTXGDU-UHFFFAOYSA-N 372.377 4.143 5 40 FIBB CC(=O)Nc1cc(NCCCSc2ccccc2)c(F)cc1[N+](=O)[O-] 25494036 KLXPXLXOQIEFFX-UHFFFAOYSA-N 363.414 4.287 5 40 FIBB COc1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408541403 CNNOLTMYJCGFGZ-YVMONPNESA-N 371.305 4.238 5 40 FIBB O=c1cc(-c2ccc(Br)cc2)nc(-c2cccc([N+](=O)[O-])c2)o1 2298067 SKQMKNSZQBYVLD-UHFFFAOYSA-N 373.162 4.040 5 40 FIBB COP(=O)(OC)[C@@H](Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 3092826 ZCJCKMMYABBXDX-MRXNPFEDSA-N 350.311 4.500 5 40 FIBB O=C(COc1ccccc1F)Nc1ccc2c(=O)c3ccccc3oc2c1 6660400 VAXAAKVNGOKZEG-UHFFFAOYSA-N 363.344 4.103 5 40 FIBB O=C(NCc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6885186 CXMPXKNSGVLFEE-UHFFFAOYSA-N 356.765 4.438 5 40 FIBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2)cc1 7954397 KUALQNDKXBPNHW-UHFFFAOYSA-N 363.373 4.438 5 40 FIBB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc([N+](=O)[O-])c1 12538782 FFFILCUQGYWYFG-UHFFFAOYSA-N 364.386 4.223 5 40 FIBB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 30757675 YLDYMDWHZVSPEU-SFHVURJKSA-N 356.422 4.050 5 40 FIBB COC(=O)c1ccc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc1 96221302 KOLOVUYDKBNZHZ-UHFFFAOYSA-N 359.341 4.017 5 40 FIBB biogenic CN(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Br 216877982 NFMHXUPGZGMWLX-UHFFFAOYSA-N 362.183 4.232 5 40 FIBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 5610677 DTFPXDSDCGNVPY-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB CC(=O)Oc1cn(-c2ccccc2)c2nc(C)n3c4ccccc4nc3c12 8465612 PCEKOHQHFGKYMN-UHFFFAOYSA-N 356.385 4.060 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 7344796 KUZVIJJPEYHPIW-UHFFFAOYSA-N 362.385 4.203 5 40 FIBB O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc(Br)cc1 101063754 ILJIFYDWDRJPPM-GHRIWEEISA-N 361.151 4.042 5 40 FIBB COc1cc(C)c([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C(C)C 223272362 RMRAJMRTDAXGSA-HNNXBMFYSA-N 370.449 4.455 5 40 FIBB O=C(CSc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 3242757 XQKDZZPUTKYWHF-UHFFFAOYSA-N 352.209 4.332 5 40 FIBB COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccccc1)=N2 4129802 KTBXPVVPGGSIFT-UHFFFAOYSA-N 372.384 4.037 5 40 FIBB COc1cc([C@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 4811734 LNPSHGRRTSMRLN-OAQYLSRUSA-N 365.385 4.361 5 40 FIBB COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 32818751 FIHOOTZMDRUJMI-UHFFFAOYSA-N 369.377 4.294 5 40 FIBB O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc3ccccc23)CC1 2760615 POKUZQIIHDQHIA-UHFFFAOYSA-N 361.445 4.066 5 40 FIBB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6507477 MQWSGBZPZLBKDE-LLVKDONJSA-N 363.801 4.004 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccn2)nc2ccccc12 16740436 IGJMSQXQGUURQL-UHFFFAOYSA-N 370.368 4.457 5 40 FIBB CCOc1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1[N+](=O)[O-] 101212985 HQYKQJRAIWISQQ-FMXWSCRGSA-N 372.465 4.472 5 40 FIBB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] 223666079 DKHZWVYPCQAOSP-UHFFFAOYSA-N 356.422 4.010 5 40 FIBB CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1 225061811 KZBDEZRZZTVBDK-UHFFFAOYSA-N 370.430 4.272 5 40 FIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl 214092204 WATAOUGRTTXFGY-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB COc1cc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2cc1Cl 1424532 OFECZAOJENRXBO-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB CC(C)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 2468601 KCVGXGWEXJYBTE-YLJYHZDGSA-N 367.405 4.488 5 40 FIBB CCc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3176433 KAYNHKWOMSUXBO-UHFFFAOYSA-N 373.459 4.498 5 40 FIBB Cc1c(C(=O)N2CCC(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] 11228382 VWXABAWWGLSZOR-UHFFFAOYSA-N 352.434 4.388 5 40 FIBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)n1-c1ccccc1 408566343 FKBSHXTZTONYPK-MRXNPFEDSA-N 374.853 4.339 5 40 FIBB O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)c1 1716367 XKBLUPDDBOYCJM-UHFFFAOYSA-N 355.371 4.030 5 40 FIBB O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)c(Cl)c1 4018560 XAESSRGCYHQCOZ-UHFFFAOYSA-N 374.784 4.179 5 40 FIBB O=C1NC(=O)c2c1c1c([nH]c3cccc(F)c31)c1[nH]c3cccc(F)c3c21 6567262 UCDMJWFKNYERGM-UHFFFAOYSA-N 361.307 4.117 5 40 FIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1CCCc1ccccc1 409124310 BFIIFEZOJKIYLY-GHRIWEEISA-N 368.414 4.264 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6225154 ADDLYPZQZGSDBH-UHFFFAOYSA-N 353.290 4.015 5 40 FIBB COc1ccc(CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 8163985 OZRLJGDKDKRMLD-UHFFFAOYSA-N 360.797 4.062 5 40 FIBB O=C1Oc2ccccc2/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 12652189 GCQCYRQKHBPPHQ-GHRIWEEISA-N 350.374 4.045 5 40 FIBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33739360 RWHMHTZQAPOEHM-UHFFFAOYSA-N 371.280 4.154 5 40 FIBB Cc1c(O)ccc2c1oc1c(CC(C)C)c3c(=O)[nH]n(C(C)C)c3nc12 85880015 BIWXLNARUSGGDR-UHFFFAOYSA-N 353.422 4.417 5 40 FIBB biogenic O=c1c2ccccc2c2nc3c(c(-c4cccnc4)c12)c(=O)c1ccccc13 3177948 VSTKKRINDHHMKA-UHFFFAOYSA-N 360.372 4.352 5 40 FIBB CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 4070582 XORBOZIWNIIJOC-WUXMJOGZSA-N 356.378 4.044 5 40 FIBB O=C(O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1CC=CCC1 12600646 DHWDEFYGPCSOMN-NSHDSACASA-N 372.402 4.316 5 40 FIBB Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1[N+](=O)[O-] 12888641 ZGNSJQOAVZUSNH-UHFFFAOYSA-N 352.346 4.328 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1NC1CCCCC1 20894380 ZTKBWWZIXXQIMQ-UHFFFAOYSA-N 365.393 4.451 5 40 FIBB O=[N+]([O-])c1ccc2nc(-c3cccc(I)c3)oc2c1 73640046 PAASXECBQRXEIC-UHFFFAOYSA-N 366.114 4.008 5 40 FIBB COc1ccc(N(C)C(=O)Nc2cc3cccnc3c3cccnc23)cc1 408975532 MPFDKWHACLFVPP-UHFFFAOYSA-N 358.401 4.460 5 40 FIBB O=C(Nc1ccc(F)cc1)[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 3530756 XTNOVIDASGLRRR-LJQANCHMSA-N 366.348 4.493 5 40 FIBB Cc1c(C(=O)Nc2ccc(Br)cc2F)cccc1[N+](=O)[O-] 5532796 BZSNKPKSURXVLS-UHFFFAOYSA-N 353.147 4.057 5 40 FIBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccc([N+](=O)[O-])c1 10577723 UHXBWHVERNJWBS-UHFFFAOYSA-N 368.418 4.057 5 40 FIBB Cc1c(C(=O)NCCOc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] 223664978 PVTRAFDGJPJODO-UHFFFAOYSA-N 356.422 4.010 5 40 FIBB CCc1n[nH]c(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n1 22530300 NJURLMFHCJULCY-UHFFFAOYSA-N 352.725 4.099 5 40 FIBB COc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 32753979 VVOHEFHRQUMPGR-CQSZACIVSA-N 354.406 4.044 5 40 FIBB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cc([N+](=O)[O-])ccc1Cl 408526766 BBEXFTNDSDHJGA-UHFFFAOYSA-N 373.727 4.064 5 40 FIBB CCN(CC)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 408966773 NZHJLQXDEVAOOS-UHFFFAOYSA-N 353.378 4.440 5 40 FIBB COc1ccc([C@@H]2OC[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)cc1 1306222 PFTZAIRXBHPFGC-DHIUTWEWSA-N 368.497 4.310 5 40 FIBB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)cc1 6626896 IYKQVNNCDNUQFV-UHFFFAOYSA-N 368.176 4.112 5 40 FIBB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc([N+](=O)[O-])cc1 7342075 ZAYAJRQOWFXGRZ-UHFFFAOYSA-N 374.809 4.008 5 40 FIBB O=[N+]([O-])c1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)o1 8187252 RQNYHBBYNXOWAY-UHFFFAOYSA-N 352.375 4.418 5 40 FIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 14898488 RNGGSMKSYIAUSX-UHFFFAOYSA-N 354.193 4.342 5 40 FIBB COc1cc(CN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F 27269133 XQDSPXGWQKEQAC-NSHDSACASA-N 364.348 4.156 5 40 FIBB CCc1ccc(NC(=O)c2ccc(F)cc2Br)cc1[N+](=O)[O-] 27312901 HRHWJZCTBKRTGQ-UHFFFAOYSA-N 367.174 4.311 5 40 FIBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 36239988 AAIHEZGNYXLYBB-OJOWTSHBSA-N 358.397 4.403 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 36640181 IPPAGWXEPGGWKT-NEUFXUDDSA-N 372.573 4.247 5 40 FIBB C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 222901274 HHKRZNQTAORJIN-SAAWKEMMSA-N 350.418 4.364 5 40 FIBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3F)o2)c([N+](=O)[O-])c1 5034543 WBIJQHSBONKRLV-UHFFFAOYSA-N 356.309 4.255 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1csc(-c2ccccc2)n1 7652098 QDVXLWKZHRCBAB-MDZDMXLPSA-N 366.398 4.475 5 40 FIBB CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 223022331 CJMQNZSQNCEGGR-LJQANCHMSA-N 352.434 4.284 5 40 FIBB O=C(c1cccc2c3c([nH]c12)CCCC3)N1Cc2ccc([N+](=O)[O-])cc2C1 1322112874 ZWKFTNVLWCJEIR-UHFFFAOYSA-N 361.401 4.111 5 40 FIBB O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc(-c2ccc(Br)cc2)o1 4812148 BHGWDUMFDSMXQH-UHFFFAOYSA-N 373.162 4.040 5 40 FIBB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 30872680 HXDZIBAHBCXJGT-INIZCTEOSA-N 364.785 4.053 5 40 FIBB Cc1ccccc1N1C(=S)N[C@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C 100889689 WOKWOXLNVYXFJG-LLSQANQASA-N 369.446 4.084 5 40 FIBB CCCc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 223434659 HGRISUTYNDZLKA-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc([N+](=O)[O-])cc1 8293369 ZYFMZKDSCYFZDL-UHFFFAOYSA-N 353.205 4.103 5 40 FIBB O=C(c1ccc([N+](=O)[O-])o1)N1CCc2sccc2[C@H]1c1ccccc1 25896526 OLIYEFGSAKQVHP-QGZVFWFLSA-N 354.387 4.037 5 40 FIBB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] 45731536 ODJMPQUVFLGNJG-UHFFFAOYSA-N 358.357 4.186 5 40 FIBB CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc(C2CC2)n(C2CC2)c1=S 54477037 SSMLYPLFIKBJQY-UHFFFAOYSA-N 373.482 4.014 5 40 FIBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 57316083 KUOLBKVQBRXGIA-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223985742 ZGIMDZSULQKSER-UHFFFAOYSA-N 368.370 4.295 5 40 FIBB CCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC 224700503 WMYIXUYVGTVELM-UHFFFAOYSA-N 358.394 4.091 5 40 FIBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc2c1OCCO2 7621126 DALQDZJKIVGUOB-FNORWQNLSA-N 364.357 4.093 5 40 FIBB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12550180 HJMGDDZLRYKQEE-HNNXBMFYSA-N 368.437 4.024 5 40 FIBB CCOc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 25169762 HVSKLLUAKAISIX-AWEZNQCLSA-N 374.462 4.133 5 40 FIBB Nc1nc(-c2ccc(Br)cc2)cc2c1c(=O)oc1ccccc12 53277597 HHSIDIBPPXKWTC-UHFFFAOYSA-N 367.202 4.353 5 40 FIBB COc1ccc(C)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8984771 IBMXHLOYSOFUSF-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225467708 HVDDKHMXEOWXNQ-AWEZNQCLSA-N 372.421 4.441 5 40 FIBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 1299073 WNGFBEQLDCWWQC-UHFFFAOYSA-N 357.369 4.269 5 40 FIBB CCOC(=O)c1ccc(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)cc1 6656127 HVBZYNTXXBQWJT-PKNBQFBNSA-N 368.345 4.498 5 40 FIBB CCOc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)cc1[N+](=O)[O-] 113839575 ONYZDZRQBDZNCU-UHFFFAOYSA-N 352.346 4.215 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 4014268 ZEGCBUVTMYLCOX-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 4419832 QFFFFAPCQIJGBL-BUHFOSPRSA-N 369.380 4.464 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 5546421 UFMUCIVLRDHQEN-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB CC(C)Cc1ccc([C@@H](C)NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 5994420 VGQMCHQUEOKYHS-CQSZACIVSA-N 374.412 4.189 5 40 FIBB COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 6995299 XSIPWAXYHSVAHJ-FQEVSTJZSA-N 362.385 4.123 5 40 FIBB Cc1ccc(CN(C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 8097472 JXQIGQUZYWWJAN-UHFFFAOYSA-N 353.422 4.058 5 40 FIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 10381956 IHXPTVOLFSDQCD-UHFFFAOYSA-N 351.366 4.041 5 40 FIBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 21595929 SZDVRKOHWDUSGZ-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 36394564 JRZPIWIWJPMOSL-JTQLQIEISA-N 369.299 4.376 5 40 FIBB O=C(Nc1ccc(SC(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2685662 FCCLFWUGLBITPY-UHFFFAOYSA-N 369.305 4.070 5 40 FIBB O=[N+]([O-])c1cc(CNCc2ccc(CN3CCCC3)cc2)ccc1Cl 8039078 PMCIOWOZAQXNJT-UHFFFAOYSA-N 359.857 4.134 5 40 FIBB CC(=O)Oc1cn(Cc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 12558928 GGHPTTUIOXZWQI-UHFFFAOYSA-N 370.412 4.119 5 40 FIBB Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F 12575376 ZKANRVOKLLMDBC-INIZCTEOSA-N 360.776 4.322 5 40 FIBB Cc1c(CSc2nnc(NCc3ccco3)s2)cccc1[N+](=O)[O-] 40127731 PDANONRKSAWAHX-UHFFFAOYSA-N 362.436 4.252 5 40 FIBB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 408587078 PVRYUPRGANOCAD-UHFFFAOYSA-N 361.766 4.231 5 40 FIBB CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 5055156 VSFNYHDPLWQRBZ-UHFFFAOYSA-N 370.800 4.132 5 40 FIBB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])cc1C 9358124 DYSVLALNHUQHDQ-UHFFFAOYSA-N 368.372 4.210 5 40 FIBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1Cl 20141070 ZSBWRECQFYXFLZ-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC 224700441 KKBDUZADXXIEHA-UHFFFAOYSA-N 358.394 4.091 5 40 FIBB C[N+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@@H](c2ccccc2)C1 1251684 ZGCCWLQRVUYKHK-CGHJUBPDSA-N 366.481 4.055 5 40 FIBB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2302998 WLCYEDJIRKSCIC-FOWTUZBSSA-N 360.325 4.199 5 40 FIBB CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 8072885 CUTLUNJJQVYJLY-CQSZACIVSA-N 358.394 4.180 5 40 FIBB C[C@@H](N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)C 12538346 XXJCAGSMNUHSSX-OAHLLOKOSA-N 350.462 4.048 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 14400586 KZLAWDMKZXDBTM-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)c([N+](=O)[O-])c1 20140555 LCJLFWCPFNUPTJ-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc([N+](=O)[O-])c1 822895 OCNBBQYYLXSRSZ-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB C[C@@H](Oc1cc(O)c2c(=O)c3ccccc3oc2c1)C(=O)c1ccccc1 8489873 VYCRPVANARMKGG-CYBMUJFWSA-N 360.365 4.302 5 40 FIBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 3378522 JMOBKJYDRTYPNE-UHFFFAOYSA-N 355.177 4.091 5 40 FIBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 17076532 CGUNWESLNHMAPX-UHFFFAOYSA-N 373.840 4.486 5 40 FIBB Cc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c(Cl)c1 22607847 QKAUOPYXKOTWNG-UHFFFAOYSA-N 360.804 4.148 5 40 FIBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 1671038 PEMVLYRORREEMT-UHFFFAOYSA-N 353.372 4.177 5 40 FIBB CCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCCCC1 2214237 PJEBTGMKJNFXRT-UHFFFAOYSA-N 365.477 4.096 5 40 FIBB O=C1C2=C(CCCC2)[C@@H](Nc2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 4599457 YPXKPDOYACCRHB-FQEVSTJZSA-N 363.417 4.246 5 40 FIBB CCCCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 5477649 ZBHDMELPXOWXEQ-UHFFFAOYSA-N 350.422 4.261 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 15168683 VKTOSIPTPTZQDF-AWEZNQCLSA-N 370.390 4.454 5 40 FIBB COc1ccc(Nc2ccc(OC)c(Br)c2)c([N+](=O)[O-])c1 19872987 FSQHZFPQVGEYRU-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB Nc1nc(-c2ccc(Br)cc2)cc(-c2cccc([N+](=O)[O-])c2)n1 71977570 MNPPDMYFEQOLQF-UHFFFAOYSA-N 371.194 4.064 5 40 FIBB CNC(=O)c1ccc(N[C@H](Cc2ccccc2)C(C)(C)C)c([N+](=O)[O-])c1 72286534 CBQAVDLLUUHYKU-GOSISDBHSA-N 355.438 4.024 5 40 FIBB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)c(Cl)c1 101352976 RIUWEHUPSWXRRA-KBXCAEBGSA-N 373.796 4.326 5 40 FIBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)[C@H]1c1ccc2ccccc2n1 101463336 WTAFWRUEGFTZDX-FQEVSTJZSA-N 368.348 4.459 5 40 FIBB CC1(C)[C@H]2CC[C@]1(C)[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 1664353 BFZTUMLBYZXNHR-ZJNRKIDTSA-N 362.382 4.122 5 40 FIBB C[C@@H](Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)c1ccccc1 9095380 ZHCUWPJFKRGWGA-LBPRGKRZSA-N 368.418 4.045 5 40 FIBB Cc1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 848278 ZBVZUPUEYKSWRY-UHFFFAOYSA-N 353.403 4.203 5 40 FIBB Cc1ccccc1N1C(=S)N[C@H]2c3cc([N+](=O)[O-])ccc3O[C@]1(C)[C@@H]2C 4193169 WOKWOXLNVYXFJG-QHLBDZCJSA-N 369.446 4.084 5 40 FIBB C[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 7024431 ARXVLBWAETURDS-LLVKDONJSA-N 374.780 4.251 5 40 FIBB COc1ccc(CSCC(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 32816284 GQWYRYYQEFMNDA-CQSZACIVSA-N 374.462 4.056 5 40 FIBB O=C(N1CCCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100872900 JWTJKNKSBQHUGB-AJHHTPGJSA-N 354.450 4.055 5 40 FIBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2Sc1ccccc1[N+](=O)[O-] 3178625 PWZDIKWSVYKPKO-RDJZCZTQSA-N 355.463 4.218 5 40 FIBB C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 3904228 FNIJMKYEFVYRFG-MRXNPFEDSA-N 356.425 4.032 5 40 FIBB O=[N+]([O-])c1ccc(N2[C@@H](c3ccccc3[N+](=O)[O-])C2(Cl)Cl)cc1 5331524 MENMVEDPKVLJAH-CWQZNGJJSA-N 354.149 4.196 5 40 FIBB CC(=O)c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 8052162 YFRNAAGCXDGTEG-GOSISDBHSA-N 357.410 4.030 5 40 FIBB CCc1cccc(CC)c1NC(=O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 9691874 NFXWHILUDGANGX-OAHLLOKOSA-N 369.465 4.351 5 40 FIBB CCSc1nc2ccccc2c2nc(=O)c(-c3ccc(C)c(C)c3)nn12 95469514 PTNSLRSUODJXCF-UHFFFAOYSA-N 362.458 4.034 5 40 FIBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 210199540 USQLZMKCCNAVLI-RIYZIHGNSA-N 360.778 4.489 5 40 FIBB O=C(Oc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 1723486 NGPUTNYAAZWEAA-UHFFFAOYSA-N 363.325 4.033 5 40 FIBB CCC(C)(C)c1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 8148494 QWRIDKKTUYBQIN-UHFFFAOYSA-N 363.435 4.478 5 40 FIBB C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12540210 MVDOMDNEZVNSQA-APWZRJJASA-N 362.473 4.192 5 40 FIBB C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 12913331 ZMYDVBAHDTZPDW-SBKJXLNCSA-N 362.332 4.087 5 40 FIBB CC1CCN(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 30755025 CRJZSCZGNRYKIP-UHFFFAOYSA-N 353.422 4.079 5 40 FIBB CSc1ccc([C@H](C[N+](=O)[O-])c2c(C)nn(-c3ccccc3)c2O)cc1 100848924 NIBQUIMASWVLFZ-KRWDZBQOSA-N 369.446 4.017 5 40 FIBB COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1F 6541058 RRYAMPKIOBRPEV-UHFFFAOYSA-N 373.365 4.118 5 40 FIBB CCNc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 12556355 APNOOERINWPJRP-GFCCVEGCSA-N 353.378 4.264 5 40 FIBB O=C(Nc1nc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])cc1Cl 12755404 PBODGHKZSOQFSQ-UHFFFAOYSA-N 351.815 4.226 5 40 FIBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 17076530 IMOUKVZDXMEEEF-UHFFFAOYSA-N 373.840 4.486 5 40 FIBB O=C(N[C@@H](c1cccs1)C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 32397766 CSFQSIXMIQIHDZ-MRXNPFEDSA-N 370.434 4.194 5 40 FIBB O=C(OCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1SCCc2ccccc21 97050262 VTCGFRPHGMIIJP-MRXNPFEDSA-N 363.822 4.322 5 40 FIBB CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 408820677 XZSIJHZOLAMXGW-NTUHNPAUSA-N 364.766 4.174 5 40 FIBB CCN1C(=O)c2cccc3c(NC(=O)c4ccc([N+](=O)[O-])s4)ccc1c23 3182272 DGZGXUALDDEIDM-UHFFFAOYSA-N 367.386 4.042 5 40 FIBB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 6396907 CNOMNVWPGQFNTG-UHFFFAOYSA-N 355.394 4.284 5 40 FIBB CSc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] 12827669 BAAYLKRTQSSXIQ-UHFFFAOYSA-N 363.464 4.294 5 40 FIBB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 33792556 SJEQQGIOVURGCG-UHFFFAOYSA-N 374.809 4.008 5 40 FIBB COc1ccc2oc(Nc3nc4c([N+](=O)[O-])cc(C)cc4s3)nc2c1 57352610 ZCIXFZGENRLGKH-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)cc1C 5025175 XPHPNJYPMAXXEA-UHFFFAOYSA-N 368.372 4.210 5 40 FIBB O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 5195383 LNGQPMVGMDHCKZ-UHFFFAOYSA-N 373.565 4.402 5 40 FIBB N=c1oc2ccccc2c2cc(-c3ccc(Br)cc3)nc(N)c12 5604903 YXHPHAQAGIPUQW-UHFFFAOYSA-N 366.218 4.472 5 40 FIBB O=[N+]([O-])c1cccc(-c2nn3c(CSc4ccccc4)nnc3s2)c1 8393135 HELVMCQQGGHAJT-UHFFFAOYSA-N 369.431 4.053 5 40 FIBB Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 10475565 ZYQMIRPWYHOXKR-UHFFFAOYSA-N 357.391 4.158 5 40 FIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccnc1)Cc1ccco1 32905885 WJRQZAOBTDPBOP-UHFFFAOYSA-N 371.780 4.079 5 40 FIBB CNC(=O)c1cnc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 58407797 HQPLMOFRVSQDMO-VQHVLOKHSA-N 371.443 4.310 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2c3sc(O)nc3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 299884583 UBNTWWIYDHXBIH-SIQYZQNWSA-N 360.460 4.409 5 40 FIBB COC(=O)c1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1 6228881 YEFAAPSZVZWQAZ-UHFFFAOYSA-N 372.384 4.214 5 40 FIBB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 9690995 AWAFFWLCODYRSH-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB Cc1cs/c(=N\c2ccccc2)n1CCNc1ccccc1[N+](=O)[O-] 101375723 ILKHQYWXJWGCJM-ZZEZOPTASA-N 354.435 4.111 5 40 FIBB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906598 IDDOQKQYVLGYMS-KXFRKYDUSA-N 362.429 4.440 5 40 FIBB COC(=O)c1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1 408976189 QFTQXEUIAWWFPF-UHFFFAOYSA-N 372.384 4.214 5 40 FIBB CC(C)CC(CC(C)C)NC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 1710531 HHAOCCQXJYDURV-HNNXBMFYSA-N 350.459 4.191 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])OCc1c(Cl)cccc1Cl 3317186 XHIKYBVLQKOQIS-UHFFFAOYSA-N 356.161 4.024 5 40 FIBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(Cl)c1 4116014 CUTHKVUOSYYTMY-UHFFFAOYSA-N 354.193 4.220 5 40 FIBB Nc1nc(Nc2cccc(Cl)c2)nc(NC2CCCCC2)c1[N+](=O)[O-] 5025496 FRNRHCPOPSNPHL-UHFFFAOYSA-N 362.821 4.109 5 40 FIBB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2Sc1ccccc1[N+](=O)[O-] 5524690 PWZDIKWSVYKPKO-WBVHZDCISA-N 355.463 4.218 5 40 FIBB Cc1ccc(C(=O)COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 8491810 HZHMMZSVKYTRGA-UHFFFAOYSA-N 360.365 4.222 5 40 FIBB biogenic O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCC2)cc1 14401164 FUFJSFNRIBKNEZ-UHFFFAOYSA-N 359.813 4.491 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2ccccc21 20050962 ZUAZZENUJLIRKY-SFHVURJKSA-N 356.447 4.022 5 40 FIBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 20141153 CROZTYKPJVISFJ-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB Cc1cccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 30528341 CPPIKRFHFZSGHD-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 57313814 AEDVXGYVMZWBKQ-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]cc1-c1ccc(Cl)s1 64026368 YRGDTJIBPUFEOP-UHFFFAOYSA-N 361.810 4.235 5 40 FIBB O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCN(Cc2ccccc2)CC1 71789875 UULJIBOCGOKPMI-UHFFFAOYSA-N 366.248 4.224 5 40 FIBB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 6602817 QXHXEUDXVIQJBN-UHFFFAOYSA-N 369.204 4.053 5 40 FIBB Cc1c(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 40121917 KQEQZHREAAWZHL-UHFFFAOYSA-N 373.352 4.037 5 40 FIBB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 44844570 JKVSTJCRGVOQMM-OAHLLOKOSA-N 364.785 4.053 5 40 FIBB CCCOc1ccccc1CCCNC(=O)c1cccc([N+](=O)[O-])c1C 217875806 POGWAYFHGKTOIV-UHFFFAOYSA-N 356.422 4.055 5 40 FIBB Cc1cccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c1 226072714 LYSSAAKZJTWZRD-JOCHJYFZSA-N 354.514 4.326 5 40 FIBB Nc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)sc(=S)n1-c1ccccc1 6161376 PNFWGRCYDXRHLF-UHFFFAOYSA-N 369.431 4.302 5 40 FIBB C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 22744670 ABKXKGLPKSPUJA-SNVBAGLBSA-N 354.284 4.020 5 40 FIBB COc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 408705390 DQKQNMPPCCVSFF-UHFFFAOYSA-N 364.785 4.055 5 40 FIBB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 1311913 FALOGTINOLFQHS-UHFFFAOYSA-N 363.325 4.033 5 40 FIBB Cc1cccn2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc12 5023369 SETWEYWHEDNRQA-UHFFFAOYSA-N 372.384 4.470 5 40 FIBB O=C(Cc1coc2cc3c(cc12)CCC3)OCc1ccc([N+](=O)[O-])cc1 6086145 QUZFFZCOYSQBQB-UHFFFAOYSA-N 351.358 4.116 5 40 FIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1cccc([N+](=O)[O-])c1 6660799 GRIGFTAKKHDKBI-UHFFFAOYSA-N 360.325 4.107 5 40 FIBB CCSc1nc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccco3)n2n1 13637405 UQLLLBJSLNAICN-UHFFFAOYSA-N 367.390 4.072 5 40 FIBB CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c2cnccc12 15141712 HPKHNVDNGUGLSK-UHFFFAOYSA-N 357.797 4.312 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 102717898 XPDKBYXIHXVCHA-IGQOVBAYSA-N 369.248 4.389 5 40 FIBB Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 224120779 IBQCTXDXIKUAAV-UHFFFAOYSA-N 369.204 4.019 5 40 FIBB O=C(Nc1nc2ccc(F)cc2s1)c1ccc([N+](=O)[O-])cc1Cl 5762819 NKQYZHKIBBPJLA-UHFFFAOYSA-N 351.746 4.249 5 40 FIBB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 6341530 OOXHECDJFOJROE-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB C[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 7024429 ARXVLBWAETURDS-NSHDSACASA-N 374.780 4.251 5 40 FIBB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 16964194 IGLHPRWZNOWVGB-UHFFFAOYSA-N 370.792 4.210 5 40 FIBB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 48300504 PFXPLCXNLFMGSO-UHFFFAOYSA-N 367.449 4.091 5 40 FIBB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 218048667 CAVZPJRTCUICAM-OAHLLOKOSA-N 358.463 4.322 5 40 FIBB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 817497 ZXTGRRANRUKYIP-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1ccc([N+](=O)[O-])cc1 4866864 ZWCZZPCWYKIEPN-VAWYXSNFSA-N 359.341 4.057 5 40 FIBB O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 5867620 WCAMIXLQWMUQSF-UHFFFAOYSA-N 361.348 4.116 5 40 FIBB Cc1c(C)n(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 72434017 UPECSEKJXHQFND-UHFFFAOYSA-N 373.752 4.077 5 40 FIBB CCOc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 1791082 YPIFMHODGRDOIF-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)c1 4479471 GLCJFKRCBJVGIF-UHFFFAOYSA-N 372.768 4.167 5 40 FIBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N(Cc1ccco1)C1=CCCCC1 5170204 GGDARIVHXQOGJV-UHFFFAOYSA-N 374.368 4.192 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1Cl 8133714 CKHUORVDVKHDGV-UHFFFAOYSA-N 355.177 4.091 5 40 FIBB COc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 23624792 GFCWYJUAOMTXMZ-UHFFFAOYSA-N 356.403 4.326 5 40 FIBB CC1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 52935484 ABUGJELFAQRORS-OAHLLOKOSA-N 368.437 4.035 5 40 FIBB O=C(NCCc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1453679 YLYTUCOJQGAEMG-UHFFFAOYSA-N 370.792 4.481 5 40 FIBB C[C@@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@@H](C)c1ccccc1 2271383 CQQFLFFJZZXALL-ZIAGYGMSSA-N 372.377 4.490 5 40 FIBB Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 3902706 OXQDNDQVVYKGQN-UHFFFAOYSA-N 356.425 4.410 5 40 FIBB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1[N+](=O)[O-] 11645955 LRLMNTRXISQBIY-UHFFFAOYSA-N 368.418 4.057 5 40 FIBB CCCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] 20897733 VPHKSVHQLZFZAV-UHFFFAOYSA-N 354.366 4.142 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCCCCC1 31096982 JIOMLOICNPOVBU-UHFFFAOYSA-N 353.422 4.156 5 40 FIBB COc1ccc(CSCC(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 32816282 GQWYRYYQEFMNDA-AWEZNQCLSA-N 374.462 4.056 5 40 FIBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 6263870 POCPTTRUQCRZJM-UHFFFAOYSA-N 361.785 4.239 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709314 RAQGGINXPUKLGC-AWEZNQCLSA-N 350.374 4.462 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(C(F)(F)F)cc1)C1CC1 24441684 XGQNXYOEHGMJAJ-UHFFFAOYSA-N 364.323 4.418 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)s2)cs1 7820476 WSJQCWOQSCLQGG-UHFFFAOYSA-N 359.432 4.018 5 40 FIBB Cc1c(OCc2ccc(C(=O)O)o2)ccc2c1oc(=O)c1ccccc12 526380 QSCWKDBBGKPZDD-UHFFFAOYSA-N 350.326 4.125 5 40 FIBB biogenic Cc1cc(C)c(NC[C@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1 859274 JIMCDFDQNFVIQB-IBGZPJMESA-N 361.937 4.315 5 40 FIBB O=C(Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1Cl 5670867 DFZXZQKFJUYUBY-UHFFFAOYSA-N 373.565 4.402 5 40 FIBB Cc1cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)ccc1[N+](=O)[O-] 6266347 NCTFKYNIBYSNCC-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)(C)O2 217876363 RKXSDGDOVDPAFR-INIZCTEOSA-N 354.406 4.244 5 40 FIBB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc([N+](=O)[O-])c1 2760097 ISJFQDVZKKTCCM-UHFFFAOYSA-N 361.329 4.249 5 40 FIBB Cc1ccc(S(=O)(=O)Oc2cccc3oc4ccccc4c(=O)c23)cc1 4473156 SHVSSRSXPOEPOX-UHFFFAOYSA-N 366.394 4.022 5 40 FIBB Cc1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 15790916 SKNZUWPCWIRYTC-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 61036183 DRDWHRNHYTYDEV-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB O=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 95395853 IDITZFGOMBPIFC-UHFFFAOYSA-N 364.405 4.319 5 40 FIBB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc([N+](=O)[O-])o1 830416 UJZMNRVBTMHMFX-UHFFFAOYSA-N 367.292 4.387 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 2067636 DRTIDBWWYVBYEO-INIZCTEOSA-N 365.216 4.357 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 3382376 QVFYDJILCVVUJT-UHFFFAOYSA-N 364.357 4.405 5 40 FIBB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1 20039073 VBAHTVBADORHPW-OAHLLOKOSA-N 358.463 4.322 5 40 FIBB CCOCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)oc2ccccc12 24830653 WEUAVUYJRAVZAV-UHFFFAOYSA-N 354.362 4.438 5 40 FIBB O=C(Oc1ccc(Br)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 947536 SQBFLETXVIVEBH-UHFFFAOYSA-N 356.559 4.230 5 40 FIBB Cc1ccc(C(=O)COC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1C 1848605 RGSDQACOCYUYNX-UHFFFAOYSA-N 373.430 4.120 5 40 FIBB O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 4689117 BYGDZDQFTUDSIN-UHFFFAOYSA-N 368.220 4.134 5 40 FIBB O=C(OCc1coc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1Cl 5508573 QBVUZCPIPFKOEJ-UHFFFAOYSA-N 364.766 4.322 5 40 FIBB COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 6995298 XSIPWAXYHSVAHJ-HXUWFJFHSA-N 362.385 4.123 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 8108821 DGHYAVNRTHGYBY-ZDUSSCGKSA-N 358.394 4.133 5 40 FIBB C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc2c(c1)OCO2 10960238 KRTFZZZGGZQBCU-JTQLQIEISA-N 370.386 4.029 5 40 FIBB O=C(Nc1cc(Nc2ncccc2[N+](=O)[O-])ccc1F)c1ccsc1 52306231 FTCDXGKGTZWRPU-UHFFFAOYSA-N 358.354 4.186 5 40 FIBB CN(C)Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12 1688829 NWCHWQCXSXAIQI-UHFFFAOYSA-N 350.374 4.029 5 40 FIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2c(c1)oc1ccccc12 3184316 QOTRIQLIIQEPBC-UHFFFAOYSA-N 358.309 4.295 5 40 FIBB Cc1cc2nnc(SCc3cccc([N+](=O)[O-])c3)n2c2ccccc12 3496054 CDHPJMZYWYTJHQ-UHFFFAOYSA-N 350.403 4.391 5 40 FIBB O=Cc1ccc(Br)cc1OCc1ccc(Cl)c([N+](=O)[O-])c1 1644108143 TWFBHZJSRNCRSC-UHFFFAOYSA-N 370.586 4.402 5 40 FIBB CCCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 218131071 FLIGNTLAEZXUBO-UHFFFAOYSA-N 356.422 4.055 5 40 FIBB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1[N+](=O)[O-] 12792671 UABRMMALMNPIOD-UHFFFAOYSA-N 359.432 4.269 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccccc2Cl)co1 95410231 QUXHZZWQSZJBEV-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 862102 UHKOIOLBKJKVQD-UHFFFAOYSA-N 354.435 4.474 5 40 FIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCSc1ccccc1 40068723 VQOXXKUGXFSAGV-OAHLLOKOSA-N 373.478 4.480 5 40 FIBB CC(C)CC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 58010158 MLIAUMZBMVRUFU-UHFFFAOYSA-N 373.375 4.063 5 40 FIBB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 221281416 IGTDONZKXLHTFF-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc([N+](=O)[O-])o1 3194008 WTNWEPRSIOZHQT-UHFFFAOYSA-N 355.331 4.310 5 40 FIBB Cc1ccc(Sc2nc(Cl)nn2Cc2ccc([N+](=O)[O-])cc2)cc1 4776422 JXDRNGBYTYFTFM-UHFFFAOYSA-N 360.826 4.348 5 40 FIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1c2c(nc3ccccc13)CCCC2 6252761 DBBZMMTZWYKFOY-UHFFFAOYSA-N 362.385 4.379 5 40 FIBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccs1 6595926 ZKZSCVGZMXWAFS-SFHVURJKSA-N 367.382 4.437 5 40 FIBB Cc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1[N+](=O)[O-] 28082073 XMDHXBUEADAHQL-UHFFFAOYSA-N 360.416 4.445 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 41007286 RJUUQLNBSQGRDP-UHFFFAOYSA-N 361.151 4.356 5 40 FIBB C[C@@H]1CCC[C@@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1 1653268 WUXYHGRAKMMVOK-WOJBJXKFSA-O 365.541 4.256 5 40 FIBB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cn2ccc([N+](=O)[O-])n2)n1 2733452 VZXMTXXWRDNXBO-UHFFFAOYSA-N 373.416 4.444 5 40 FIBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 5869417 ZAMKPDNZYPMDSH-VIFPVBQESA-N 355.177 4.308 5 40 FIBB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21820073 RKPACXPBYLAMLW-NSHDSACASA-N 359.813 4.176 5 40 FIBB CN(C)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 36391546 SUSBXDSBYFYUCL-UHFFFAOYSA-N 354.284 4.108 5 40 FIBB Cc1nc(-c2ccccc2)sc1C(=O)NCc1cc(F)ccc1[N+](=O)[O-] 65474548 RNXLCSZFPCTTLP-UHFFFAOYSA-N 371.393 4.096 5 40 FIBB S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCCCC1 104755096 PHRQRBGTFMKBSS-UHFFFAOYSA-N 362.458 4.414 5 40 FIBB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 6630668 UBYHZUQAGIWNMY-AYOQOUSVSA-N 368.389 4.016 5 40 FIBB CCn1c(C)cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1C 32777356 WKROSLSULQERKV-UHFFFAOYSA-N 359.407 4.149 5 40 FIBB O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3C3CCCCC3)n2)c1 40153656 QUDCHYULYUIWEH-KRWDZBQOSA-N 356.426 4.190 5 40 FIBB O=C(C(Cl)=C(Cl)Cl)n1nc(Cl)c2cc([N+](=O)[O-])ccc21 2144327 URECCBLXYPMAQQ-UHFFFAOYSA-N 354.964 4.124 5 40 FIBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 2452985 SOOAZPBOFMJKEC-UHFFFAOYSA-N 360.826 4.336 5 40 FIBB O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(N2CCCCC2)c1[N+](=O)[O-] 5184996 IOHXOZVEUMJIRE-UHFFFAOYSA-N 354.577 4.454 5 40 FIBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 7706107 CLEHDXLSUXKZCQ-NHAQELONSA-N 367.430 4.437 5 40 FIBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ncccc12 23227820 BKBRCCJQINZBEZ-LBPRGKRZSA-N 353.403 4.262 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(F)cc2)nc1 40107064 NFSXYTXRRCBZEN-UHFFFAOYSA-N 367.336 4.102 5 40 FIBB CC(C)CSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 224905828 OAISDVRDVPIXNO-UHFFFAOYSA-N 372.859 4.100 5 40 FIBB Cc1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 2355497 ZXUVQKGXINLSAT-UHFFFAOYSA-N 355.379 4.066 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)cs1 12613642 LEMWWMZAGRYDGK-UHFFFAOYSA-N 367.430 4.265 5 40 FIBB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 5508593 FBZFGXGLMPTFNK-LBPRGKRZSA-N 361.781 4.293 5 40 FIBB Cc1cc(NCCc2c[nH]c3ccccc23)nc(-c2cccc([N+](=O)[O-])c2)n1 32935585 RFPVWGQQUUXCTE-UHFFFAOYSA-N 373.416 4.496 5 40 FIBB Cc1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)ccc1[N+](=O)[O-] 58166520 SSEBDGJWJGWPJT-UHFFFAOYSA-N 365.267 4.316 5 40 FIBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1 854700 NUSJHFVOLFSBRG-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB Cc1c(SC(Cl)(Cl)Cl)cc([N+](=O)[O-])c(N(C)C)c1[N+](=O)[O-] 4821637 TYRNLJGUAQYKGY-UHFFFAOYSA-N 374.633 4.297 5 40 FIBB COc1ccc(CC(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1 6660627 FDGSBGWTQITUJL-UHFFFAOYSA-N 359.381 4.136 5 40 FIBB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12673272 JWTIOSNMPJDLQD-XIKOKIGWSA-N 373.840 4.316 5 40 FIBB Cc1ccc(SC(=O)NCCOc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 19894532 KXSGBIPNSWVSMP-UHFFFAOYSA-N 360.435 4.401 5 40 FIBB Cc1sc2ncn3nc([C@@H](C)Oc4ccccc4[N+](=O)[O-])nc3c2c1C 2790167 WXVMOTFLPIVZCI-SNVBAGLBSA-N 369.406 4.004 5 40 FIBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)Cc1cccc3ccccc13)CCC2 4028460 FQTGQVXSCBPNGP-ZZNRJTPNSA-N 352.498 4.335 5 40 FIBB CCCCCC[C@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NCC 5047564 YGBMPQIQWQZPLI-MAUKXSAKSA-N 350.459 4.336 5 40 FIBB Cc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])c1 5249608 TZJPEQLDVNRQRW-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]c2ccccc12 5851388 AZGLKOJCSHAARB-SNVBAGLBSA-N 372.764 4.158 5 40 FIBB CCc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCC2)cc1 6870968 MHQZQIOFTYMFKV-UHFFFAOYSA-N 365.433 4.429 5 40 FIBB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 5569582 XCZLPBAFUCYSAX-UHFFFAOYSA-N 368.389 4.337 5 40 FIBB Cc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 6028017 DZRIKPOQTPKDSK-UHFFFAOYSA-N 359.432 4.244 5 40 FIBB COc1ccc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 7524109 GXGQTFRHGATAEV-UHFFFAOYSA-N 370.236 4.112 5 40 FIBB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 408629308 WIGWMAKRHZRRPM-CQSZACIVSA-N 369.421 4.235 5 40 FIBB O=C1Nc2ccccc2S/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 409097905 NWOFWBOXNRYAFV-PDGQHHTCSA-N 363.398 4.471 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cccc(Cl)c1 15410535 OUFBVFZGPHXROM-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB CC(C)c1noc(-c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)n1 15833943 RTVAQQICACZATG-UHFFFAOYSA-N 352.394 4.405 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Cl)c1 20031907 KRPJCMBLRACAML-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB CCn1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 4060538 RGCAGTMXKXMYJN-UHFFFAOYSA-N 355.419 4.300 5 40 FIBB O=C(NCc1ccccc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 6756953 BIUZTZJDORJIRM-UHFFFAOYSA-N 352.397 4.194 5 40 FIBB CC[C@@H](NC(=O)CCCNc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 12562242 OIXPQYDSSVOFLY-QGZVFWFLSA-N 355.438 4.363 5 40 FIBB C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 40074630 ARRFUOYFMPYLEX-SECBINFHSA-N 356.856 4.279 5 40 FIBB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 55700685 MMFXMIKUNLKWQO-OAHLLOKOSA-N 356.422 4.133 5 40 FIBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1 225865692 KRCQMMSXLHLIDI-UHFFFAOYSA-N 369.421 4.229 5 40 FIBB Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 4129814 BDUNACNBLMZZFL-UHFFFAOYSA-N 374.375 4.476 5 40 FIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)c1ccc[nH]1 4484646 NJZNYQZROITPHP-UHFFFAOYSA-N 358.426 4.339 5 40 FIBB Cc1csc(-n2c(C)cc(C(=O)COc3ccccc3[N+](=O)[O-])c2C)n1 11036542 QLHIESMSXDHDTF-UHFFFAOYSA-N 371.418 4.029 5 40 FIBB O=[N+]([O-])c1ccc(/C(=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)o1 31759562 OOGFHEVYRLDFOY-ATVHPVEESA-N 373.361 4.299 5 40 FIBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccccn1)CO2 57099723 FFQSKCAMGOUSTE-UHFFFAOYSA-N 358.397 4.002 5 40 FIBB O=[N+]([O-])c1ccc2c(/C=C/c3ccccn3)nn([C@@H]3CCCCO3)c2c1 69593861 BKXMYFOISYYOLE-VQFGERMISA-N 350.378 4.209 5 40 FIBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2 105733430 INKHNBFWANDRDJ-APXLUKDGSA-N 371.389 4.073 5 40 FIBB COc1ccc(OC)c(NC(=O)c2cccc3nc4ccccc4nc23)c1 12277019 VZFLQLRKHACJDE-UHFFFAOYSA-N 359.385 4.053 5 40 FIBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 6970764 XNDWSLJQCQBELP-UHFFFAOYSA-N 357.313 4.302 5 40 FIBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1 12867098 RZUUEUWBDJEVMC-UHFFFAOYSA-N 371.330 4.417 5 40 FIBB O=C(NCCCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 13669813 JTKQPUXONVDEMP-UHFFFAOYSA-N 353.205 4.264 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1-c1oc(/C=C/C(=O)O)cc1Br 40544597 RQFXWPXNUOAAQQ-HWKANZROSA-N 352.140 4.024 5 40 FIBB COc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1 3429049 MKPQLRWVPUCHJG-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C)cc1 17040832 ISPYOFAAHRKAOO-BZZOAKBMSA-N 370.408 4.403 5 40 FIBB COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1CCC[C@@](C)(O4)O1 40972694 ZUEKQPJBVORAFH-MPBGBICISA-N 354.358 4.011 5 40 FIBB biogenic,in-vitro CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 44903593 ZRTZRDHYZDAIJF-UHFFFAOYSA-N 364.854 4.140 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1 3566694 PURVRNKDTWFUIL-UHFFFAOYSA-N 356.325 4.344 5 40 FIBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1 2328749 JVSJENJLVSZUNI-UHFFFAOYSA-N 360.826 4.336 5 40 FIBB Cc1nc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2s1 2629237 CSMVBOWWNSWLJG-UHFFFAOYSA-N 359.432 4.244 5 40 FIBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1 7954194 NRRFUJDXYXWKFO-UHFFFAOYSA-N 363.373 4.438 5 40 FIBB C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 18209729 KSEYRAXQFLTMOU-ZDUSSCGKSA-N 351.362 4.422 5 40 FIBB Cc1ccc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 32793944 ZFUMYEOBXVYMQZ-UHFFFAOYSA-N 361.419 4.082 5 40 FIBB CCCN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 58172441 DCEBUYXICDPMFU-LJQANCHMSA-N 350.422 4.302 5 40 FIBB O=[N+]([O-])c1ccc2oc(-c3ccc(I)cc3)nc2c1 73642130 WHJYAQVPXYSHEG-UHFFFAOYSA-N 366.114 4.008 5 40 FIBB COc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1N1CCCCC1=O 83957202 XUVNDWWUTHRHPN-UHFFFAOYSA-N 359.357 4.003 5 40 FIBB CC(C)(C)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 726036 AGJWQUVOWZKAFP-BOPFTXTBSA-N 350.374 4.237 5 40 FIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1 2627326 AVMCSUGQTMWVMC-VIFPVBQESA-N 355.177 4.308 5 40 FIBB O=C(Nc1nccs1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 3421943 WCMRILRFSSJGKB-UHFFFAOYSA-N 357.416 4.455 5 40 FIBB CC[C@H](OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1 4416218 CYURGZSPOCXTGB-WBMJQRKESA-N 357.362 4.032 5 40 FIBB Cc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 24256083 PKDQFPICJXTVPJ-JOCHJYFZSA-N 360.413 4.352 5 40 FIBB COc1cc([N+](=O)[O-])ccc1SCC(=O)Nc1ccc2ccccc2c1 30835795 IGHATWGTUBIETF-UHFFFAOYSA-N 368.414 4.487 5 40 FIBB C[C@@H](Nc1ccc(C(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 52916830 BRCHPJKUYQEPJT-OAHLLOKOSA-N 368.437 4.179 5 40 FIBB O=C(Cc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1Cl 225619850 OWTZRPVRMCOZBY-UHFFFAOYSA-N 369.602 4.192 5 40 FIBB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 408571317 AGWQAIFTPQBZFF-QPJJXVBHSA-N 374.809 4.213 5 40 FIBB C[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@@H](C)c1ccccc1 2271382 CQQFLFFJZZXALL-UONOGXRCSA-N 372.377 4.490 5 40 FIBB Cc1ccc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 3902724 ZMEUJBHUSMZIOI-UHFFFAOYSA-N 360.388 4.241 5 40 FIBB Cc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 78903617 RBKSCXOVMACKQE-UHFFFAOYSA-N 352.337 4.020 5 40 FIBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)oc1ccccc12 223975509 VHMSMAUNUZRKEN-UHFFFAOYSA-N 368.370 4.295 5 40 FIBB CCC(CC)c1nnc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)s1 2651535 MVXNOVILTKWCQE-UHFFFAOYSA-N 366.468 4.081 5 40 FIBB O=C(CSc1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] 4836738 DIZVPWBEGMGSAF-UHFFFAOYSA-N 367.224 4.088 5 40 FIBB Cc1c(NC(=O)c2ccc(COc3ccccc3)o2)cccc1[N+](=O)[O-] 8266952 UJBZFJCMQGFNKM-UHFFFAOYSA-N 352.346 4.328 5 40 FIBB COc1ccccc1NC(=O)c1oc(-c2ccc([N+](=O)[O-])cc2)cc1C 11690002 KSRYMADRVRJGCA-UHFFFAOYSA-N 352.346 4.424 5 40 FIBB Cc1cccc(OCCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C 24979737 KARXSWJCZUOHLS-MRXNPFEDSA-N 356.422 4.200 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCCC[C@@H]2C)CC1 84177535 BYAWLZCLGBUDRB-KRWDZBQOSA-N 373.497 4.020 5 40 FIBB Cc1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 408563850 RWWMVBZSZANUEV-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB Cc1c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cccc1[N+](=O)[O-] 40107061 ISLBTRLXSSBWRY-UHFFFAOYSA-N 367.336 4.482 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 59328941 JSKJZFDLILEXTE-UHFFFAOYSA-N 369.602 4.192 5 40 FIBB Cc1sc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-] 24463185 VEIYPQHKLPWACE-UHFFFAOYSA-N 362.432 4.462 5 40 FIBB Cc1cccc(N2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@]2(C)[C@@H]3C)c1 100889692 SXLTWBRODQBWCV-JLBUNGTFSA-N 369.446 4.084 5 40 FIBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1 408773361 KDMXXFGLHYERKK-DPWKNNTCSA-N 369.446 4.065 5 40 FIBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 29797122 RARMPPVTPMSJFC-MRXNPFEDSA-N 371.462 4.234 5 40 FIBB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 25013843 SWDDRGYHLOUQCA-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB Cc1ccc(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1C 40169695 CBIZJRFGZUGXLN-UHFFFAOYSA-N 358.785 4.229 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc2c(c1)OCCCO2 95951293 HOLVMKKMZARUDP-UHFFFAOYSA-N 368.311 4.387 5 40 FIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 210199507 NGCCOCAGHHOOAI-RIYZIHGNSA-N 360.778 4.489 5 40 FIBB Clc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCO1 9419543 LQFRYCLRWQAZTR-UHFFFAOYSA-N 353.809 4.154 5 40 FIBB CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 13674893 DPJRHONPOLVHEP-HNNXBMFYSA-N 360.797 4.280 5 40 FIBB Cc1ccccc1[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 20104157 AKNWLHFPNKHQLS-QFIPXVFZSA-N 360.413 4.352 5 40 FIBB O=[N+]([O-])c1ccccc1-c1n[nH]c(COc2cccc(Cl)c2Cl)n1 34925943 HDDYQGBFFRCWEN-UHFFFAOYSA-N 365.176 4.266 5 40 FIBB O=c1nc2c3ccccc3nc(Nc3ccccc3)n2nc1-c1cccs1 89845726 YRSOFTJINNIWSE-UHFFFAOYSA-N 371.425 4.110 5 40 FIBB CCOc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 1510144 JIZXYXYWKMMHQM-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB CC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3)n2)cc1 4794350 IYUWIZRPBVUHJB-UHFFFAOYSA-N 363.377 4.383 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 5067362 XPDKBYXIHXVCHA-ARJVPZMDSA-N 369.248 4.389 5 40 FIBB CCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] 12758225 VSIJBPPRLDIPSD-UHFFFAOYSA-N 369.402 4.369 5 40 FIBB COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1 24505512 KUGHTCOLDCUSCT-UHFFFAOYSA-N 370.405 4.106 5 40 FIBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)oc2ccc(OC)cc12 48291065 PXUXRFQQFUKABA-UHFFFAOYSA-N 368.389 4.320 5 40 FIBB CSc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 6981764 GYDZBOPWFJPLHX-UHFFFAOYSA-N 370.352 4.266 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(CCc1ccccc1)Cc1ccccc1 12733008 QHKRTNJWOCIDOA-UHFFFAOYSA-N 360.413 4.480 5 40 FIBB O=C(Nc1ccc(N2CCCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 22389758 YBGCPLKXEKPWND-UHFFFAOYSA-N 368.418 4.057 5 40 FIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(-c2cnco2)cc1 54679871 NYHSFVFDGSPPQV-UHFFFAOYSA-N 371.780 4.175 5 40 FIBB O=C(Nc1ccccc1F)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 97165915 ZWQKXJQTYZPWME-UHFFFAOYSA-N 368.314 4.351 5 40 FIBB CC(C)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 2468603 KCVGXGWEXJYBTE-PXNSSMCTSA-N 367.405 4.488 5 40 FIBB COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 10846108 PRUHNEQXPGGVIH-PGBBXINNSA-N 359.422 4.156 5 40 FIBB CCc1nnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)s1 21288460 SYQRMFLAVWAUID-UHFFFAOYSA-N 369.406 4.005 5 40 FIBB C[C@H]1CCCCN1C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 52937902 XHFIBDGXWNXPJZ-LSDHHAIUSA-N 368.437 4.178 5 40 FIBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 106524121 QQFXMJRGSYGKQY-JTDSTZFVSA-N 362.473 4.096 5 40 FIBB O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 7767928 UGDRNDHTHOVTBS-UHFFFAOYSA-N 368.418 4.057 5 40 FIBB O=[N+]([O-])c1ccc(Oc2ccccc2OCC(F)(F)F)c([N+](=O)[O-])c1 57839634 ZQCRODOWODWETF-UHFFFAOYSA-N 358.228 4.236 5 40 FIBB CCCCOc1cccc(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1 4313597 CYYGYJDCTQHENO-UHFFFAOYSA-N 358.394 4.425 5 40 FIBB Nc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(F)cc1[N+](=O)[O-] 84556969 JCKLMBIBIHBOOW-UHFFFAOYSA-N 367.336 4.361 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)Cc3ccc(C)cc3C)nc12 5267951 JIYDQORHWDPBKP-UHFFFAOYSA-N 371.418 4.011 5 40 FIBB Cc1cc(C)cc(-n2ccnc(SCc3ccc([N+](=O)[O-])cc3)c2=O)c1 12415687 GZRKCTKTJWPVPP-UHFFFAOYSA-N 367.430 4.050 5 40 FIBB O=C(CCCOc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4615691 KOSHUGIIXMMQSN-UHFFFAOYSA-N 357.391 4.002 5 40 FIBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCCC1 5603716 NQILPIQPLYPTRC-GUYCJALGSA-N 374.466 4.003 5 40 FIBB CCOC(=O)c1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1 16687893 HVBZYNTXXBQWJT-LUAWRHEFSA-N 368.345 4.498 5 40 FIBB CC(C)(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1 85706643 MLCRWGZHNKQYLQ-HNNXBMFYSA-N 368.480 4.259 5 40 FIBB C[C@]12C[C@H](NC(=O)N1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O2 2601945 JAEKJKKECDNXAW-YOEHRIQHSA-N 359.769 4.018 5 40 FIBB CN(C)c1cc(Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c2nonc12 5033933 TUNDMKJVEUWPFA-UHFFFAOYSA-N 368.180 4.247 5 40 FIBB CCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 26544362 HXRBHFFAUFBZPX-UHFFFAOYSA-N 356.403 4.111 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCC2)c(C(F)(F)F)c1 48260949 KPOFEOZYLWJJRA-OAHLLOKOSA-N 369.343 4.456 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225140673 RPVNBBTZIKOOKY-CQSZACIVSA-N 354.406 4.188 5 40 FIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1Cl 3515083 ILFNNKJBULIKOL-VIFPVBQESA-N 355.177 4.308 5 40 FIBB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2o1 12536365 OSSDZTXQMDXFLJ-VIFPVBQESA-N 374.784 4.137 5 40 FIBB COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn2C)cc1 12544534 UGRKMZUPRSZHKH-KRWDZBQOSA-N 372.812 4.192 5 40 FIBB Cc1c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cccc1[N+](=O)[O-] 13708570 LTFJSDOOOZLVGV-CQSZACIVSA-N 350.374 4.462 5 40 FIBB O=c1[nH]c2c(Br)cc(Br)cc2c2ccccc12 16953000 SDHLIQKBPRDVQN-UHFFFAOYSA-N 353.013 4.206 5 40 FIBB Cn1cnc([N+](=O)[O-])c1N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 89761506 IHTOKHYCGPADTH-MRXNPFEDSA-N 358.348 4.002 5 40 FIBB Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)co2)ccc1[N+](=O)[O-] 95410232 HEYAPNIOEPXFQP-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB CCCCN[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3281930 RFDWYAKVNUVIPZ-QGZVFWFLSA-N 361.829 4.318 5 40 FIBB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 5559123 LBSLTMDHBHMIKL-UHFFFAOYSA-N 351.746 4.249 5 40 FIBB CCc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12511168 XRXZRARUAXNZSB-UHFFFAOYSA-N 353.422 4.012 5 40 FIBB CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC 224419229 CHCDIDUBPRUWKZ-UHFFFAOYSA-N 358.394 4.091 5 40 FIBB O=C(Nc1cccc(Br)c1)c1coc2ccc([N+](=O)[O-])cc12 408968153 WTFLTCDRROSOQV-UHFFFAOYSA-N 361.151 4.356 5 40 FIBB CCCCn1c(=O)nc2n(-c3cccc(C)c3C)c3ccccc3cc-2c1=O 2124402 YBLYLGQTLGLCAS-UHFFFAOYSA-N 373.456 4.069 5 40 FIBB O=c1oc2ccccc2c(N2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] 4106849 GXZKNYKEBWZFCA-UHFFFAOYSA-N 350.374 4.085 5 40 FIBB O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 4387492 RLABFHBQLKRIPV-UHFFFAOYSA-N 367.224 4.088 5 40 FIBB Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 4866376 DSXYOXSTOAKWQM-UHFFFAOYSA-N 358.335 4.013 5 40 FIBB CC[N+](CC)(CC)CCSCCSCC[N+](CC)(CC)CC 5469456 LZFRMWMHOAWNSB-UHFFFAOYSA-N 350.682 4.206 5 40 FIBB CNc1ccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 7986173 NYXXGVVWDQKSDP-WQLSENKSSA-N 356.769 4.022 5 40 FIBB COCc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12 40122834 HTUIQLIKAPPJDP-UHFFFAOYSA-N 356.425 4.464 5 40 FIBB Cc1cccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2C)c1 40122992 WTDBHCJRDHVVOX-UHFFFAOYSA-N 354.435 4.393 5 40 FIBB Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N)c2[N+](=O)[O-])cc1 5026061 BZOGYLRBOXPKSQ-UHFFFAOYSA-N 364.409 4.379 5 40 FIBB CC1CCN(c2ccc(C(=O)N(C)Cc3ccsc3)cc2[N+](=O)[O-])CC1 6586324 RXKOBLPDCPSTQQ-UHFFFAOYSA-N 373.478 4.165 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CCN(Cc2ccccc2)C1 12773621 LIWGNHCKFQIHGI-HNNXBMFYSA-N 365.355 4.300 5 40 FIBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 13135481 NWUMMLVACOUBQN-UHFFFAOYSA-N 365.311 4.440 5 40 FIBB Cc1noc(C[C@H](CC(=O)c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 19801705 OADBFGDVEVMULZ-KRWDZBQOSA-N 350.374 4.491 5 40 FIBB CC(=O)c1ccc(N2CCC(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 54124112 HXTPMVNTLRQSCR-UHFFFAOYSA-N 366.417 4.205 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(Br)=C/c1ccccc1 4387963 UNJMSQJGBVVEBX-UVTDQMKNSA-N 361.195 4.278 5 40 FIBB O=[N+]([O-])c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c2ccncc12 12557490 WLHMWNWVXWKRNF-UHFFFAOYSA-N 368.824 4.123 5 40 FIBB CC(C)(C)[C@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2C1 27583450 LSWKWTZRAZPVOA-NSHDSACASA-N 359.451 4.455 5 40 FIBB COC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1nccs1 95442898 LLILHHHBNOXYIS-GXDHUFHOSA-N 372.427 4.493 5 40 FIBB O=C(OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 4053257 DLOCZZBHBBHDQW-UHFFFAOYSA-N 360.797 4.074 5 40 FIBB CSc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1[N+](=O)[O-] 6948800 AGJSLSLQFNSPJQ-UHFFFAOYSA-N 359.432 4.487 5 40 FIBB O=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)o1 409177093 AJAXJLNAZXGBDH-UHFFFAOYSA-N 351.314 4.024 5 40 FIBB O=C1O[C@H](c2cccc([N+](=O)[O-])c2)C2(CCCC2)C(=O)C12CCCCC2 1075652 FCTJCRZZPMYNRS-MRXNPFEDSA-N 357.406 4.273 5 40 FIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCCC2)cc1 10334610 LNMRFLROYQAMCA-UHFFFAOYSA-N 373.840 4.486 5 40 FIBB CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 20048587 CFKHYBUQXHAYIL-RMKNXTFCSA-N 374.780 4.077 5 40 FIBB Cc1cc(Cl)cc([N+](=O)[O-])c1Sc1nnc(N2CCCC2)s1 95469192 MGCKDINOGABUOB-UHFFFAOYSA-N 356.860 4.160 5 40 FIBB O=[N+]([O-])c1cc(Br)c(NC2CCCC2)c(Br)c1 226317074 XBRBKZBNCYVKHC-UHFFFAOYSA-N 364.037 4.474 5 40 FIBB O=C(NCc1ccco1)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 2970352 GDZOPXJWPRKSEM-UHFFFAOYSA-N 374.425 4.221 5 40 FIBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCc2ccccc21 3326416 OHAPQJYOCRSBJA-GFCCVEGCSA-N 359.813 4.028 5 40 FIBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 6922830 RWFFHTUVGRLIJK-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB CCc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 27661975 LKUDUYQOBGQYDH-UHFFFAOYSA-N 361.401 4.399 5 40 FIBB CCc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1 27664556 GYDFYYLNOYQCAD-UHFFFAOYSA-N 361.401 4.399 5 40 FIBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cl)c1 59417108 VNAQXUQUPLMDJB-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB Cc1c(C(C)C)c(=O)c2ccccc2n1CCOc1ccc([N+](=O)[O-])cc1 550844438 HUHHJSVPHKXPHW-UHFFFAOYSA-N 366.417 4.421 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(CN2CCCCC2)cc1 4815469 IVVWQRWRPRYYEM-FMIVXFBMSA-N 365.433 4.233 5 40 FIBB CC(=O)c1ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 40153792 HAVFZASUIMRMLM-QGZVFWFLSA-N 356.378 4.099 5 40 FIBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2ccccc2)CC1 48253604 AYZRNSCTEWVPHB-UHFFFAOYSA-N 365.433 4.189 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2c3sc(O)nc3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 299884584 UBNTWWIYDHXBIH-ZMQVJYHMSA-N 360.460 4.409 5 40 FIBB Cc1nc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)oc1C 6825258 QDLSWHLQQSXMQL-UHFFFAOYSA-N 351.362 4.048 5 40 FIBB Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 32026064 KTTAYTNJJQPZJU-UHFFFAOYSA-N 368.780 4.266 5 40 FIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1 37868902 UZQVVYCHUQRQEK-UHFFFAOYSA-N 354.753 4.017 5 40 FIBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2F)n1 58440088 SHTWQPNKVIJVFR-UHFFFAOYSA-N 374.759 4.134 5 40 FIBB O=[N+]([O-])c1cc(CNc2cnccc2CO)ccc1Oc1ccc(F)cc1 89793291 RXJIFHLCWJJCRD-UHFFFAOYSA-N 369.352 4.026 5 40 FIBB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc([N+](=O)[O-])c1 1078119 SPPUNXDBUBHEBG-UHFFFAOYSA-N 360.329 4.050 5 40 FIBB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 4258200 HPZAZHJCFWEMOH-XNTDXEJSSA-N 369.380 4.464 5 40 FIBB Nc1nc(Nc2cccc(F)c2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 9329158 VMIDBAOPPAUHLD-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 22245372 ZBMLLQHCBBTDSB-UHFFFAOYSA-N 368.418 4.380 5 40 FIBB O=C(CSCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 216386558 GWUMDWBVVCFYGT-UHFFFAOYSA-N 354.790 4.259 5 40 FIBB CCC[C@@H](c1cc(OC)ccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 1083957 RQQXSAXYKZZOEL-SFHVURJKSA-N 363.435 4.227 5 40 FIBB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 7401194 VQKFGPXQHWYAGC-SNVBAGLBSA-N 366.826 4.376 5 40 FIBB O=C(NCc1ncoc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 79100318 XPWORJBXHRGEDH-UHFFFAOYSA-N 372.768 4.225 5 40 FIBB CC(C)NC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976069 PCEFHMCMIZVJNS-UHFFFAOYSA-N 367.412 4.018 5 40 FIBB O=c1[nH]nc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c2ccccc12 4116273 DIPPPUDWSNVLHN-UHFFFAOYSA-N 358.357 4.242 5 40 FIBB COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 5189243 QDUKGLIIRBDECU-UHFFFAOYSA-N 374.356 4.382 5 40 FIBB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 5217025 AWNNEJLDESAVRT-UHFFFAOYSA-N 374.356 4.382 5 40 FIBB O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 8470625 RZCHWHRSXZTBCK-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COC(C)C 224721486 JCLHCKVNRVPACF-UHFFFAOYSA-N 372.421 4.479 5 40 FIBB CCOC(=O)c1nccc(Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])n1 1185027399 BKHQERKOHPHFEL-UHFFFAOYSA-N 365.345 4.021 5 40 FIBB CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 8389148 HVOWVEXGZXSTPI-UHFFFAOYSA-N 358.423 4.395 5 40 FIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 8907422 JJZJPPPTJOEBMN-UHFFFAOYSA-N 355.177 4.471 5 40 FIBB COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(Cl)c1Cl 11029710 GJQQAMVVYPQTNK-UHFFFAOYSA-N 356.161 4.267 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cccc(Cl)c1 15270875 XLIVTRWTCHUVCM-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB Cc1csc(Nc2ccccc2)[n+]1CCNc1ccccc1[N+](=O)[O-] 65090449 ILKHQYWXJWGCJM-UHFFFAOYSA-O 355.443 4.108 5 40 FIBB Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c2cccc(C)c2n1 95992746 WADGWZMIEJVSLW-UHFFFAOYSA-N 366.373 4.205 5 40 FIBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1 1660128 DGNIPXYRMLXLQW-VJOPYQGCSA-N 372.380 4.043 5 40 FIBB O=[N+]([O-])c1cccc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 3520138 MWHPUIWMTNDWMB-UHFFFAOYSA-N 352.419 4.345 5 40 FIBB Cc1ccc(C)c(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])c1 4116738 ZODIQWNIYHHRNH-UHFFFAOYSA-N 367.409 4.482 5 40 FIBB CC(=O)N(c1ccccc1)c1nc(COc2ccccc2[N+](=O)[O-])cs1 7168936 YRGKOSRTJYEMMW-UHFFFAOYSA-N 369.402 4.315 5 40 FIBB COc1ccc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c([N+](=O)[O-])c1 7715357 DKDGNYLGGZBGET-DHSIGJKJSA-N 364.442 4.019 5 40 FIBB CCOC(=O)c1cc2c(=O)oc3ccccc3c2nc1NCc1ccccc1 19204768 KJSLSBKIMJQONX-UHFFFAOYSA-N 374.396 4.130 5 40 FIBB COc1ccc2cc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)c(C)nc2c1 23080134 IUYYYPHLZGTJFB-CYBMUJFWSA-N 366.373 4.378 5 40 FIBB CN(C)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229266 HEOLWNWKIXNERI-UHFFFAOYSA-N 354.193 4.220 5 40 FIBB CC1CCN(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 408906342 GKTDRYMEUISYMU-HMMYKYKNSA-N 350.418 4.394 5 40 FIBB COc1ccc(CN(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 4907321 UPOYAXJJENVAHD-UHFFFAOYSA-N 362.385 4.450 5 40 FIBB COc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1[N+](=O)[O-] 5637484 NJFQVMIKBBULSW-UHFFFAOYSA-N 357.391 4.082 5 40 FIBB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1[N+](=O)[O-] 21577091 YEIKYFSYQMZKJY-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F 40090585 KUYFWHBCUZIHPT-CYBMUJFWSA-N 350.321 4.077 5 40 FIBB CCN(Cc1ccccc1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 2782776 IWVNKIIFCPTOSN-UHFFFAOYSA-N 353.466 4.081 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)cc1C 6276098 PCMGJPVKLFSFBE-UHFFFAOYSA-N 350.382 4.071 5 40 FIBB O=C(Nc1ccc2ccccc2c1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 408533667 RKDKPDHJPOCNHT-UHFFFAOYSA-N 370.368 4.457 5 40 FIBB COC(=O)c1ccc([C@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 58046257 BPWZJVYTGBBFPQ-QMMMGPOBSA-N 364.404 4.437 5 40 FIBB COc1ccc([C@@H](/C=C2/N(C)c3ccccc3C2(C)C)C[N+](=O)[O-])cc1 100340413 SSDVOIWYDLVABZ-UOEVCUDDSA-N 352.434 4.367 5 40 FIBB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)s1 205657588 ZLGHAKCVEVISPM-RIYZIHGNSA-N 360.416 4.201 5 40 FIBB COC(=O)c1ccc(CSc2nc3cc([N+](=O)[O-])ccc3s2)cc1 1554503217 PQBRULRNXCNZEC-UHFFFAOYSA-N 360.416 4.283 5 40 FIBB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 1507181 WMSCJGVAPPOKNO-UHFFFAOYSA-N 358.357 4.390 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cs1 12994782 GLDPTRJTNYBKDE-UHFFFAOYSA-N 367.430 4.265 5 40 FIBB O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 20014149 VWAJKDLFPDYRSQ-UHFFFAOYSA-N 371.245 4.424 5 40 FIBB CC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 22158015 KPMREKAOKHNCPQ-NSHDSACASA-N 363.753 4.175 5 40 FIBB C[C@H](c1ccccc1Cl)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 40149517 KBGCMBWSDQCLJS-CYBMUJFWSA-N 373.840 4.412 5 40 FIBB CCOc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 218123943 SIEVLFPGAUMNBN-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708481 LLHQOBOZDDRIFJ-CYBMUJFWSA-N 366.373 4.163 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)s2)cc1 222576198 XMGPLFJWSKCXSD-JXMROGBWSA-N 366.402 4.074 5 40 FIBB Cc1c(Cl)cccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 408724926 CDIMYGNBBCVCFS-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB CCCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 3039169 OBCHYSSLRDIYEA-AQTBWJFISA-N 366.373 4.118 5 40 FIBB CCOc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 6303940 UQSLHNPRMZZDAA-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB CC(=O)c1ccc(Sc2ncc(-c3ccc(F)cc3)[nH]2)c([N+](=O)[O-])c1 26758804 MTDTVDVCPWYNDX-UHFFFAOYSA-N 357.366 4.478 5 40 FIBB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)s2)o1 31482955 ZTQHFAUUIZFAGL-UHFFFAOYSA-N 361.354 4.320 5 40 FIBB CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409067774 PUYXSEJOMWDRCG-OQLLNIDSSA-N 358.375 4.219 5 40 FIBB CC(=O)CCc1cc2c(cc1[N+](=O)[O-])CC[C@H](C)N2C(=O)c1ccccc1 3844796 DYKXCHXTHNNZGD-AWEZNQCLSA-N 366.417 4.098 5 40 FIBB biogenic O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 5757932 VUOFBBHTZFZLAZ-UHFFFAOYSA-N 368.389 4.337 5 40 FIBB Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] 222958283 UHGJSEDUYBGISY-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccccc1F 6660314 GBCSFHXTPVGSRR-UHFFFAOYSA-N 351.308 4.477 5 40 FIBB COC(=O)/C=C/c1cc(Br)c(-c2cc([N+](=O)[O-])ccc2C)o1 57351241 CBYBQJLNWRNKRK-AATRIKPKSA-N 366.167 4.112 5 40 FIBB Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229492 WDPKWFHUINVBPL-UHFFFAOYSA-N 355.177 4.228 5 40 FIBB O=[N+]([O-])c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193803 KMPSPXMFACPNKM-UHFFFAOYSA-N 363.358 4.174 5 40 FIBB O=[N+]([O-])c1ccc(C2=NO[C@H]3[C@H]2C3(c2ccccc2)c2ccccc2)cc1 100669670 OYSKUIOHXZPLOM-FPOVZHCZSA-N 356.381 4.314 5 40 FIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 5567729 YBKRKIYMTWMYAP-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB O=C(Cc1ccc(F)cc1)OCc1cc(=O)oc2ccc3ccccc3c12 5633416 JJNLUEYPZZAWIW-UHFFFAOYSA-N 362.356 4.371 5 40 FIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccccc1Cl 14258333 WAADLNADSQHTIT-UHFFFAOYSA-N 355.177 4.228 5 40 FIBB Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)ccc1[N+](=O)[O-] 21577111 DNIIWSQVBIQVIL-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB CCCC(=O)Nc1ccc(C(=O)[C@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc1 32724097 SBZHTMNIZWINMP-AWEZNQCLSA-N 370.405 4.292 5 40 FIBB COc1cc(NC(=O)CSc2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-] 5106155 IUOSFVNRWVANJD-UHFFFAOYSA-N 366.826 4.296 5 40 FIBB O=[N+]([O-])c1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C2(Cl)Cl)cc1 39475062 UWTIQVJLXDSYLU-FWJOYPJLSA-N 354.149 4.196 5 40 FIBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 72229454 HEYGWXBGAJLWNS-UHFFFAOYSA-N 370.148 4.371 5 40 FIBB CCc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106745714 ZRBYRZXAVOORHX-BOPFTXTBSA-N 368.414 4.394 5 40 FIBB O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 223652049 IMNBVPCMZCPRNA-UHFFFAOYSA-N 362.794 4.202 5 40 FIBB CC(C)(C)OC(=O)N1CCC[C@@H](c2nc3ccccc3cc2[N+](=O)[O-])C1 14000405 HNIWIQSTBXSQNS-CQSZACIVSA-N 357.410 4.258 5 40 FIBB CC(C)C[C@@H](C)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 36395594 WESPZBGPIGXUKQ-CYBMUJFWSA-N 362.455 4.129 5 40 FIBB O=[N+]([O-])c1cc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc([N+](=O)[O-])c1 66156368 DSVDUSQUZBRRKE-UHFFFAOYSA-N 373.199 4.222 5 40 FIBB O=[N+]([O-])c1cc(-c2nc3ccccc3s2)cc(Br)c1O 409193323 IVWAEUAUYNQBPT-UHFFFAOYSA-N 351.181 4.340 5 40 FIBB COc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl 5063666 LWBHXWYUYZSUMF-UHFFFAOYSA-N 361.785 4.083 5 40 FIBB CCN(CC)CCNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12 5390413 OXHLLQBQFXYRIF-UHFFFAOYSA-N 370.518 4.485 5 40 FIBB O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 5426126 WQQCBFBWIQGNSE-UHFFFAOYSA-N 367.386 4.161 5 40 FIBB CN(C)C(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 40122824 NIFRMWUYLNIKPY-UHFFFAOYSA-N 369.424 4.342 5 40 FIBB O=c1c2c3c(sc2nc2c4ccccc4c(Cl)nn12)CCCCC3 719353 WQELODXRHSGGKH-UHFFFAOYSA-N 355.850 4.380 5 40 FIBB O=C1S/C(=C\C=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 1188390 JFQFXQJPASRHRQ-PFKGSKDKSA-N 352.371 4.392 5 40 FIBB Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C 3902723 TURYTTPNCGKXRU-UHFFFAOYSA-N 356.425 4.410 5 40 FIBB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 5717033 VCYPQJJCAWHBBK-UHFFFAOYSA-N 370.217 4.028 5 40 FIBB Cc1ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)cc1[N+](=O)[O-] 30585706 BOBVUIDFEAKARL-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB Cc1cccc(N2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@]2(C)[C@@H]3C)c1 4193171 SXLTWBRODQBWCV-QHLBDZCJSA-N 369.446 4.084 5 40 FIBB Cc1ccccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 13546628 LXLUBPKHGJOCSG-YBEGLDIGSA-N 354.387 4.140 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(C)c1 218132044 FMIDABVWYLDALA-INIZCTEOSA-N 354.406 4.244 5 40 FIBB O=[N+]([O-])c1ccc2nc(CSc3ccc(C(F)(F)F)cn3)[nH]c2c1 8132620 QZSCBVLURXTTMP-UHFFFAOYSA-N 354.313 4.177 5 40 FIBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C(F)(F)F)C1 10286171 ODLCCWFKPIUSET-GFCCVEGCSA-N 368.311 4.269 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 15168681 VKTOSIPTPTZQDF-CQSZACIVSA-N 370.390 4.454 5 40 FIBB O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccs1)Cc1cccs1 12852678 KBDJYLLFNQLHQD-UHFFFAOYSA-N 374.443 4.266 5 40 FIBB O=C(NCCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921902 LCVUPCKOJHKHPS-OQKWZONESA-N 372.424 4.494 5 40 FIBB COc1ccc(Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)cc1 3478307 IYHYVMUZGGGJOW-UHFFFAOYSA-N 374.447 4.491 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C1CCCCC1 12614820 GMQINCPJVNSAKW-SDNWHVSQSA-N 351.406 4.369 5 40 FIBB CN(CCCNc1ccc([N+](=O)[O-])c2cnccc12)Cc1ccccc1 12635698 JDQCDUQYZLPWIA-UHFFFAOYSA-N 350.422 4.077 5 40 FIBB CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccccc1C 17130844 CECCUDRMGIAKLM-BZZOAKBMSA-N 370.408 4.403 5 40 FIBB C[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1C 26354273 QQFXMJRGSYGKQY-GPMSIDNRSA-N 362.473 4.096 5 40 FIBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])o1 408541922 GNEVCQZCWMFUOO-YVMONPNESA-N 371.305 4.238 5 40 FIBB Cc1cc(C)c2c(N)c(-c3nnc(-c4ccccc4[N+](=O)[O-])o3)sc2n1 888439 PHOBMKKBUJDPFE-UHFFFAOYSA-N 367.390 4.121 5 40 FIBB Cc1c(NC(=O)CSc2cccc3cccnc23)cccc1[N+](=O)[O-] 3275585 FSENEFPUKSWHRT-UHFFFAOYSA-N 353.403 4.182 5 40 FIBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)c1 4292020 LSNQSDKXABQFFM-CTNGQTDRSA-N 372.384 4.232 5 40 FIBB Cc1sc2c(c1C)c(=O)nc1c3ccccc3/c(=C\c3ccccc3)n12 16756693 YVEUTLKOVNUEFE-LDADJPATSA-N 356.450 4.227 5 40 FIBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 72229453 VHFCYJIWGOMOGR-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB O=[N+]([O-])c1ccc(Sc2ccc(Br)cc2)c2nonc12 96933900 HQXGMDJUFJQNNY-UHFFFAOYSA-N 352.169 4.045 5 40 FIBB Cc1ccsc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 979848 WQZGJDLLIHMVGC-RIYZIHGNSA-N 360.416 4.201 5 40 FIBB O=C1S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(O)c1 5376242 OXPZPPFZXMDIMP-RFUMYBEHSA-N 368.370 4.098 5 40 FIBB Cc1nc(Cc2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cs1 7174142 GFVDIDROEHTAHL-VIFPVBQESA-N 362.436 4.187 5 40 FIBB COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 8917566 ZNKPPLGZFLOSLG-UHFFFAOYSA-N 366.373 4.039 5 40 FIBB COc1ccc(OC)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 9913929 DPLKPRHQRWOXTQ-UHFFFAOYSA-N 358.375 4.079 5 40 FIBB O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 32117899 XXDRRYDCACBEMN-UHFFFAOYSA-N 360.369 4.007 5 40 FIBB CCOc1ccc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1[N+](=O)[O-] 101212976 HQYKQJRAIWISQQ-AZQQJEAVSA-N 372.465 4.472 5 40 FIBB CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225061444 RJYITZNBSWIJMG-UHFFFAOYSA-N 370.430 4.272 5 40 FIBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 5298512 AQCRCBXNZLRMQR-UHFFFAOYSA-N 370.434 4.174 5 40 FIBB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13170201 JBUZBXPNBBCCBN-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB Cc1ccc(-c2[nH]nc3nc(-c4cccc([N+](=O)[O-])c4)cc(C(=O)O)c23)cc1 20492131 GLDXGBWLOBVPBD-UHFFFAOYSA-N 374.356 4.207 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102717902 XPDKBYXIHXVCHA-AAVRWANBSA-N 369.248 4.389 5 40 FIBB O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1NC1CCCC1 9669030 AWCODZCQDMFVJD-UHFFFAOYSA-N 351.366 4.061 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 13562978 AAIHEZGNYXLYBB-VXVSGHKGSA-N 358.397 4.403 5 40 FIBB COc1cc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC(C)C 32830925 DDFOSGJMTGFARP-AWEZNQCLSA-N 372.421 4.129 5 40 FIBB COc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1OC(F)F 12796825 GAOVWFQDCCKEEK-UHFFFAOYSA-N 352.293 4.151 5 40 FIBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2c(cc1[N+](=O)[O-])OCO2 25387020 CGGIOQOWBVLPRC-UHFFFAOYSA-N 374.352 4.147 5 40 FIBB O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1 33376832 XYOUZHFSFDPHGK-LZCJLJQNSA-N 370.308 4.258 5 40 FIBB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2ncccc2[N+](=O)[O-])cc1 48311849 ODLZWMBNAQNZAO-CQSZACIVSA-N 373.478 4.158 5 40 FIBB Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])n1C1CCCCC1 53278633 WNKHLZCNXSDXTH-UHFFFAOYSA-N 362.455 4.171 5 40 FIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCC(C)C 224739782 ZXTSTBMSZBBEIU-UHFFFAOYSA-N 372.421 4.418 5 40 FIBB Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 33423779 QIQOEAXFOHPPEJ-UHFFFAOYSA-N 367.317 4.324 5 40 FIBB O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(F)cc1 4355869 NBMLXBWBPFENCM-UHFFFAOYSA-N 369.377 4.166 5 40 FIBB O=C(NCCCNc1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1 4695971 GGUHQSKKJBSPKL-UHFFFAOYSA-N 368.220 4.134 5 40 FIBB COc1c(Cl)cc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1 7274816 IHMFPUREJBNZJS-UHFFFAOYSA-N 370.236 4.112 5 40 FIBB Cc1ccccc1-c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 8587034 SEHAEMJNUJDMMY-UHFFFAOYSA-N 350.378 4.220 5 40 FIBB Cc1nc(C)c(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)s1 40127887 AKXFSEVKCRIJIK-UHFFFAOYSA-N 362.436 4.319 5 40 FIBB COc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1F 83953169 ONDOHSRIBKRNHX-UHFFFAOYSA-N 360.388 4.466 5 40 FIBB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc([N+](=O)[O-])cc1 12538760 YYFMXXMOQNDJCZ-UHFFFAOYSA-N 364.386 4.223 5 40 FIBB Cc1c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 21904216 YJTFIRHMNNZVGG-UHFFFAOYSA-N 356.422 4.010 5 40 FIBB CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F 40090584 KUYFWHBCUZIHPT-ZDUSSCGKSA-N 350.321 4.077 5 40 FIBB C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc([N+](=O)[O-])c1 80054242 YDMSMLAUYPJDMV-BEFAXECRSA-N 368.437 4.378 5 40 FIBB CCC1(CC)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 224827171 BADZFNUMTDKVEC-KRWDZBQOSA-N 354.406 4.407 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2cc1OC 4070513 WIIKUSWDSSSANA-UHFFFAOYSA-N 352.346 4.018 5 40 FIBB Cc1ccccc1OCc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1 9198500 SUUITXCBUHZWMX-UHFFFAOYSA-N 357.391 4.158 5 40 FIBB Cc1c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] 20455446 VOUJJJSHRGUEJO-OAHLLOKOSA-N 367.449 4.387 5 40 FIBB O=C(CSCc1ccc(Cl)cc1F)Nc1cccc([N+](=O)[O-])c1 223222286 RHAPXNFWWSVQNS-UHFFFAOYSA-N 354.790 4.259 5 40 FIBB O=C(NCCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 10542386 LJXJPQDBQLAZAX-UHFFFAOYSA-N 353.205 4.264 5 40 FIBB Cc1cccc(Cn2nccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 30528470 GKKCCMCCKAKDTF-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1[N+](=O)[O-] 79054597 KHUPPAOKWNSQMY-UHFFFAOYSA-N 373.384 4.279 5 40 FIBB CC(C)Oc1cccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 217887880 NNYZHKCQWAZDHB-VAWYXSNFSA-N 368.433 4.144 5 40 FIBB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C 223439593 GMJZNCFWMRXPDI-UHFFFAOYSA-N 372.855 4.079 5 40 FIBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 2028528 CBSFPESDASFUEN-UHFFFAOYSA-N 371.370 4.155 5 40 FIBB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 5441195 HAFOSILBNHBJNB-UHFFFAOYSA-N 373.796 4.017 5 40 FIBB O=[N+]([O-])c1ncccc1OCc1cn(-c2ccccc2)nc1-c1ccccc1 6977803 OXINMFHBISDGOC-UHFFFAOYSA-N 372.384 4.422 5 40 FIBB CCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1 9663806 NBJJSNOEECCBQX-UHFFFAOYSA-N 354.435 4.089 5 40 FIBB O=C(NCCc1cccs1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 17909687 CZXBQORIBZQTJG-UHFFFAOYSA-N 367.430 4.372 5 40 FIBB Cc1ccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCS2)cc1 28527508 AIUKAZNMPPBTCQ-UHFFFAOYSA-N 369.446 4.085 5 40 FIBB CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 409065567 HPFRXFSHMGNQAY-DHDCSXOGSA-N 358.375 4.219 5 40 FIBB COc1cc(C=O)cc(Cl)c1OCc1c(Cl)cccc1[N+](=O)[O-] 4614824 QEUAGALQQSDDQB-UHFFFAOYSA-N 356.161 4.302 5 40 FIBB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13546796 YOPWGTYYKXUUBU-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB O=S(=O)(Nc1ccnc2c1ccc1ccccc12)c1ccc(F)cc1 40384331 LIGBPVMBHVLKBD-UHFFFAOYSA-N 352.390 4.328 5 40 FIBB Cc1nc2ccccc2nc1SCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2699458 IANLSQHFRNODOS-UHFFFAOYSA-N 373.821 4.475 5 40 FIBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3282522 RKNJEVXITZKGSR-UHFFFAOYSA-N 365.842 4.234 5 40 FIBB CSc1ccc(C(=O)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] 6930781 PNENINPEALAVFM-UHFFFAOYSA-N 368.208 4.298 5 40 FIBB O=C(O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCC1 10031506 BQUURBBXLJTOKV-UHFFFAOYSA-N 360.391 4.150 5 40 FIBB Cc1cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2c2ccccc12 1904238 AQEBATWIFZOVQM-UHFFFAOYSA-N 350.403 4.391 5 40 FIBB CCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC 4070581 JZSMJZVTVNGZCH-ZRDIBKRKSA-N 356.378 4.044 5 40 FIBB CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3cc2[N+](=O)[O-])CC1 14000329 LAJVBQOHDNOCNC-UHFFFAOYSA-N 357.410 4.258 5 40 FIBB O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl 15977000 TYZZEDKETAXSGZ-UHFFFAOYSA-N 358.703 4.197 5 40 FIBB CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1c(F)cccc1F 72302496 DTJJTQCMDMOHFS-CZUORRHYSA-N 356.756 4.451 5 40 FIBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408580756 DTESHEAOCZXPJI-UHFFFAOYSA-N 374.809 4.387 5 40 FIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 11660596 XPEGKPXWLAGRAQ-UHFFFAOYSA-N 368.437 4.026 5 40 FIBB O=[N+]([O-])c1c(Cl)nc(-c2ccc(CN3CCCCC3)cc2)nc1Cl 72233825 NZWFUDYFFWQTCN-UHFFFAOYSA-N 367.236 4.345 5 40 FIBB Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1cc(Cl)c2c(c1)OCO2 1463352 MSGLGXAZZSWVBG-ZDUSSCGKSA-N 358.781 4.267 5 40 FIBB O=c1oc2c(Br)c(O)c(Br)cc2c2ccccc12 1609900 KKYMOHTZIGBNCQ-UHFFFAOYSA-N 369.996 4.177 5 40 FIBB O=[N+]([O-])c1cc2c(c(COc3ccc(Cl)cc3Cl)c1)OCOC2 4390120 NTQZSBMCBMCBAW-UHFFFAOYSA-N 356.161 4.347 5 40 FIBB O=C(Nc1ccccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4896049 NJBZSQVVDJNGGF-UHFFFAOYSA-N 359.813 4.491 5 40 FIBB O=[N+]([O-])c1ccc(SOC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 408733314 XHUVFNBMAHBWDD-UHFFFAOYSA-N 350.396 4.496 5 40 FIBB COC(=O)c1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1 408977603 WUTGLXXDYIGQPB-UHFFFAOYSA-N 372.384 4.214 5 40 FIBB COc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1[N+](=O)[O-] 1866628 SYRZZWMNQWLYEZ-BOPFTXTBSA-N 374.352 4.101 5 40 FIBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)[nH]c2sc3c(c12)CCCC3 6161193 SSCOJQORVLKVOI-UHFFFAOYSA-N 373.459 4.064 5 40 FIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 9141760 ZAMANZJALGASHQ-AATRIKPKSA-N 361.741 4.117 5 40 FIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 12901530 CEGNLBUPHXSINY-VIFPVBQESA-N 370.739 4.341 5 40 FIBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 1506866 YXBUMQJYLYPJKT-UHFFFAOYSA-N 358.357 4.390 5 40 FIBB CCOc1ccc(-c2noc(COc3c(C)ccc([N+](=O)[O-])c3C)n2)cc1 29751220 XVYVNCDGUGTQSS-UHFFFAOYSA-N 369.377 4.239 5 40 FIBB CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1C(F)(F)F 58933135 MBIQCGRFKJROAS-UHFFFAOYSA-N 354.328 4.124 5 40 FIBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2)cc1C 408573925 UEBHNJWBWVXIFK-GOSISDBHSA-N 368.462 4.303 5 40 FIBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2242518 ZFRWBLUDDLRGGH-AWEZNQCLSA-N 369.428 4.255 5 40 FIBB CC[C@H](C)N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3280664 BPZGPBZJIOIAGD-SJCJKPOMSA-N 361.829 4.316 5 40 FIBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1[N+](=O)[O-] 6647486 BOQXCDQORIUEBD-UHFFFAOYSA-N 359.140 4.058 5 40 FIBB Cc1c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 21915163 JHEKDWBTBMOHCD-UHFFFAOYSA-N 352.312 4.194 5 40 FIBB CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 53466513 JMHZBEMFDSNZPL-UHFFFAOYSA-N 363.757 4.069 5 40 FIBB Cc1ccc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1851293 CTPBVOQTOUCKGG-UHFFFAOYSA-N 369.398 4.338 5 40 FIBB O=C(Nc1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 5573386 IAKXQGNYMYYNJH-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccnc1Cl 9141293 KQNIVPYHRLBEOB-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB Cc1ccc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 12997816 ZRMPIDWJSWHQJG-UHFFFAOYSA-N 352.434 4.388 5 40 FIBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c(Br)c1 4014087 FTXIDSVVPRLHPY-UHFFFAOYSA-N 360.211 4.493 5 40 FIBB Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F 12575382 ZKANRVOKLLMDBC-MRXNPFEDSA-N 360.776 4.322 5 40 FIBB CCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC 15409028 ASHWEGWIGFXVKJ-UHFFFAOYSA-N 358.394 4.343 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)c2ncccc12 72273080 PXDLXXYNXFKDGE-AWEZNQCLSA-N 366.396 4.221 5 40 FIBB O=C(O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 210666630 FNAJKPSBCBKJAN-LICLKQGHSA-N 363.394 4.114 5 40 FIBB Cc1csc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 2725814 NZNCXDHJOWVIGA-QMMMGPOBSA-N 357.844 4.132 5 40 FIBB Cc1ccc(-c2nc(COC(=O)Cc3ccccc3[N+](=O)[O-])cs2)cc1 5958626 SYWACCQEEJRYMW-UHFFFAOYSA-N 368.414 4.313 5 40 FIBB Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)s1 64916052 XWBZYNUOTGHJAD-CYBMUJFWSA-N 359.451 4.374 5 40 FIBB C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2 1759287 WYWQCKGEIUFJRD-WOJBJXKFSA-N 350.482 4.132 5 40 FIBB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 10427331 TWUSFBKUVPLPTQ-UHFFFAOYSA-N 358.357 4.186 5 40 FIBB Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1[N+](=O)[O-] 12062847 AORXZLWVBVXUEK-UHFFFAOYSA-N 356.403 4.400 5 40 FIBB O=c1c(SCc2cccc([N+](=O)[O-])c2)nccn1-c1ccc(Cl)cc1 12415682 SVTUKHFJSNUSAW-UHFFFAOYSA-N 373.821 4.086 5 40 FIBB O=C(Nc1ccc(SC(F)F)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 40074759 AGQXHIIDTCQPJU-UHFFFAOYSA-N 364.333 4.038 5 40 FIBB O=C(Nc1nnc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 4276183 FDJRSROVGAXCAR-UHFFFAOYSA-N 366.358 4.112 5 40 FIBB CCN(CC)CCNc1ccc(C)c2sc3c(O)cccc3c(=O)c12 5390321 OAHHECRFMSRBFI-UHFFFAOYSA-N 356.491 4.182 5 40 FIBB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21125707 VWQOZAHDLUPRCE-VIFPVBQESA-N 355.177 4.308 5 40 FIBB CC(C)(C)[C@@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2C1 27583445 LSWKWTZRAZPVOA-LLVKDONJSA-N 359.451 4.455 5 40 FIBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33899102 WDZMJLRCHCTSMS-UHFFFAOYSA-N 353.290 4.015 5 40 FIBB CCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] 8240737 PASFRZXNEUWMON-LBPRGKRZSA-N 354.362 4.231 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3C)s2)cs1 10105340 HLQNCXYWFFQREP-UHFFFAOYSA-N 373.459 4.327 5 40 FIBB O=C(Nc1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] 14258398 KJOLBWKDKBPYKV-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 31313737 BUKKLUYYESOLQI-UHFFFAOYSA-N 370.405 4.021 5 40 FIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(Br)c1 45888898 QKAKTAFBFCUOHW-UHFFFAOYSA-N 363.211 4.480 5 40 FIBB CCN(CC)c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-] 72229251 VXJFGFIJTMXMOQ-UHFFFAOYSA-N 365.792 4.486 5 40 FIBB O=[N+]([O-])c1ccc(OCCCC(F)(F)C(F)(F)Br)cc1 1083810968 FFPYOGXZXIEZMU-UHFFFAOYSA-N 360.101 4.377 5 40 FIBB Cc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)c2ccccc2n1 1423719 SJRXIPDVWLNXRN-UHFFFAOYSA-N 362.345 4.080 5 40 FIBB CC(C)c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=S)n1C1CC1 32923179 VFXKIHQQOHSQDN-GFCCVEGCSA-N 373.482 4.189 5 40 FIBB C[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cccc([N+](=O)[O-])c1 57281649 FEUVPVHBLGBFDY-SECBINFHSA-N 372.431 4.010 5 40 FIBB COc1ccccc1Nc1nc(Nc2ccc(C)cc2)nc(C)c1[N+](=O)[O-] 4359207 CESAAEBLPOLXSH-UHFFFAOYSA-N 365.393 4.497 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 13009510 RNYAFPRREQSMNJ-CYBMUJFWSA-N 374.418 4.031 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 36620627 LHIJHEJXYMJSNU-QGZVFWFLSA-N 355.394 4.281 5 40 FIBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1Cl 4014272 ZXOWRVNEIYWORK-UHFFFAOYSA-N 354.193 4.220 5 40 FIBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1Cl 20141058 CBKZCINIOWAPTJ-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CCC1 84761140 DZBWRSRYJVJSNR-CQSZACIVSA-N 368.437 4.178 5 40 FIBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(F)cc1 834552 HJNHLPZUKUKYDN-UHFFFAOYSA-N 363.395 4.074 5 40 FIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 14258298 LDBCLELFVRLSLP-UHFFFAOYSA-N 359.140 4.302 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(Cl)cc1 728542 QDYWHQOLNSPAID-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccccc1Cl 1051856 RBRIWJAJVCOVBV-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB CCCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2027603 JPFDKKBERJMQEU-UHFFFAOYSA-N 356.378 4.194 5 40 FIBB O=[N+]([O-])c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1 2620578 YXEQHGLIQSVBPE-UHFFFAOYSA-N 350.161 4.424 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(C)cc1C 4056810 GHRZPDOVZXKOAU-UHFFFAOYSA-N 358.394 4.018 5 40 FIBB Cc1ccccc1-n1c(Cc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 4957049 BROFIOLMOWMVON-UHFFFAOYSA-N 371.396 4.193 5 40 FIBB O=C(Nc1ccccc1F)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97165914 MDKRJNGQNUEQFA-UHFFFAOYSA-N 350.324 4.212 5 40 FIBB CC1(C)C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 217894238 BGANJKFILKYHQI-XLNAKTSKSA-N 352.390 4.027 5 40 FIBB CCN(CC)CCNc1ccc(OC)c2sc3ccccc3c(=O)c12 5316187 FMJDWWAXDFAUJH-UHFFFAOYSA-N 356.491 4.177 5 40 FIBB CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 6762527 ZQIAZTNTBXISQT-UHFFFAOYSA-N 369.446 4.253 5 40 FIBB CCc1ccc(NC(=O)c2cc(F)ccc2Br)cc1[N+](=O)[O-] 32796320 TWJNRHALXQFHOS-UHFFFAOYSA-N 367.174 4.311 5 40 FIBB CCc1cc(NCc2ccccc2F)nc(-c2ccc([N+](=O)[O-])cc2)n1 58391676 HEFXUWMIIIEXQC-UHFFFAOYSA-N 352.369 4.365 5 40 FIBB CCCn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 9665500 ULICHFXZJTXKNC-UHFFFAOYSA-N 368.462 4.479 5 40 FIBB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])no2)cc1 61997148 SJEJETVPKBKKCH-UHFFFAOYSA-N 367.361 4.289 5 40 FIBB CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 13668710 XJBCAKBPTCKNGT-AWEZNQCLSA-N 372.421 4.192 5 40 FIBB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 16750229 CMPRJQUYTYZORR-UHFFFAOYSA-N 350.374 4.339 5 40 FIBB Cc1cccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)c1 408534578 VPHOLHALTKNQEM-CMDGGOBGSA-N 360.373 4.012 5 40 FIBB O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Cl 943815 MXQUTUREFTVJSJ-UHFFFAOYSA-N 356.559 4.230 5 40 FIBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)NCc1ccco1 3218034 HPWYHTSCYNSVQM-UHFFFAOYSA-N 359.381 4.059 5 40 FIBB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 3233168 FBLNUCKSPIGYGC-GHMZBOCLSA-N 365.480 4.086 5 40 FIBB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 5740828 LJGVYIBPPINDOQ-UHFFFAOYSA-N 359.813 4.491 5 40 FIBB COc1ccc2cc(CN(C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 24235993 KAAIHDBZZZXHIJ-UHFFFAOYSA-N 365.389 4.421 5 40 FIBB O=C(Nc1ccc(F)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97165903 XHKMYGOHTSOFGA-UHFFFAOYSA-N 350.324 4.212 5 40 FIBB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)N2 1106640 GOALJPIAUGPLFR-MRXNPFEDSA-N 369.402 4.387 5 40 FIBB O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1 2957575 ITYUTXMCXDAXLU-UHFFFAOYSA-N 366.354 4.197 5 40 FIBB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])n1 5970219 NKJXQHVSTCSUAJ-SECBINFHSA-N 370.192 4.011 5 40 FIBB Cc1cccc(C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 15992582 MMWAZQOMFJQZIK-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB C[C@@H]1CCCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 46934296 DSTGFHCJPITZCO-MRXNPFEDSA-N 367.449 4.008 5 40 FIBB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N2 4501943 AXEYRDWBKXCQGL-MRXNPFEDSA-N 369.402 4.387 5 40 FIBB COc1ccc2nc3ccccc3nc2c1NC(=O)/C=C/c1ccccc1 5445290 JTHGFYXJVKYPMM-SDNWHVSQSA-N 355.397 4.444 5 40 FIBB CC(=O)c1ccc(N(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 8051664 OODXGJMFTNWRNU-UHFFFAOYSA-N 352.312 4.453 5 40 FIBB O=C(C(c1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 8876418 XRFBKBISSRERFC-UHFFFAOYSA-N 358.397 4.316 5 40 FIBB Cc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1Cl 408725770 HLTUZKIJGFTQQT-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3149252 SSLAYQNJZYIAKL-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB Cc1cccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1 5294441 GPKFTJUCPMNLHZ-UHFFFAOYSA-N 357.391 4.158 5 40 FIBB Cc1ccc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]c2c1 31840653 BLDNVXFASIGGKZ-UHFFFAOYSA-N 367.390 4.122 5 40 FIBB Cc1cccc(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 31953212 SICFVBVUIVFYQM-LLVKDONJSA-N 368.311 4.293 5 40 FIBB Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1-c1ccccc1 32817254 HUMUYQYEEXNUAT-UHFFFAOYSA-N 353.403 4.208 5 40 FIBB CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 68711617 HGMRZGLYVZNEMA-UKRRQHHQSA-N 364.442 4.091 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225140715 RPVNBBTZIKOOKY-AWEZNQCLSA-N 354.406 4.188 5 40 FIBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/C=C/c1ccccc1 864672 WOQNNRXFOUHEDC-DUEVJXGLSA-N 354.749 4.149 5 40 FIBB Cc1cccc(C)c1NC(=O)[C@H]1CCCN1Sc1ccccc1[N+](=O)[O-] 1059751 NVECQDVWAYSOPB-MRXNPFEDSA-N 371.462 4.322 5 40 FIBB CCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 14654544 PGGFKVFIRMRTIO-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB O=C(Nc1ccccc1Cc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 36394516 SHKSEPMBBWHZQX-UHFFFAOYSA-N 372.384 4.314 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38859762 IRIORMKLBAUBKP-OAHLLOKOSA-N 367.449 4.387 5 40 FIBB CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408571325 OINCJKUHOVEJTA-SFHVURJKSA-N 368.462 4.248 5 40 FIBB CCOc1cc(C=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8254199 GRYHKGSJHUYXMT-UHFFFAOYSA-N 366.713 4.160 5 40 FIBB Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1C 32777250 WBFNJWCFODMODB-UHFFFAOYSA-N 357.391 4.084 5 40 FIBB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 36621226 PRQZEFTXKVQZJT-QGZVFWFLSA-N 355.394 4.281 5 40 FIBB C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 40074629 ARRFUOYFMPYLEX-VIFPVBQESA-N 356.856 4.279 5 40 FIBB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)(C)O2 218131928 WIXATWUGUPRSSX-MRXNPFEDSA-N 354.406 4.244 5 40 FIBB O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1-c1ccccc1 1775971038 CLXWAMUGMXKEQX-UHFFFAOYSA-N 362.341 4.212 5 40 FIBB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1903685 AKABRFAGLMGSPF-KPKJPENVSA-N 368.389 4.204 5 40 FIBB Cc1nc2c(ccc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)sc32)s1 4173987 UQOPUUCPVNESGW-UHFFFAOYSA-N 370.415 4.375 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)c1ccc(Cl)cc1 30859470 ZWKGLORMMRODDS-CQSZACIVSA-N 360.719 4.413 5 40 FIBB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 52410569 RRJDHCNFJXUSBP-RMKNXTFCSA-N 373.796 4.249 5 40 FIBB CC(=O)c1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)cc1 2474272 TZLZMUOTJSGZJC-GYHWCHFESA-N 356.381 4.120 5 40 FIBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 12555661 PHAGICLJXUJPSY-UHFFFAOYSA-N 351.765 4.218 5 40 FIBB COc1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1[N+](=O)[O-] 79093668 HOBUJWKXLPMMBR-UHFFFAOYSA-N 370.380 4.062 5 40 FIBB CCCCn1c(-c2ccccc2C)nc2oc3ccccc3c(=O)c2c1=O 2432645 PEOOAKGYKMPBHE-UHFFFAOYSA-N 360.413 4.278 5 40 FIBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(C1CCCC1)C1CC1 12527588 PKCQZUWOOHRZQG-UHFFFAOYSA-N 357.454 4.132 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cccc2ccccc12 222666260 PYGFGWJOLZGIIM-UHFFFAOYSA-N 350.374 4.328 5 40 FIBB C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3ccsc3)cc2[N+](=O)[O-])C1 32741263 NWHSJIVMPDPSBM-CQSZACIVSA-N 373.478 4.165 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 69147157 DJOBYXPPOZTEMR-UHFFFAOYSA-N 360.413 4.366 5 40 FIBB CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)Cc1csc2ccccc12 97164343 OMUSMLQSPIJUMJ-UHFFFAOYSA-N 352.419 4.318 5 40 FIBB Cc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1[N+](=O)[O-] 834249 WZXLAWCRRVVKQF-UHFFFAOYSA-N 353.147 4.057 5 40 FIBB CCc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 7093742 UZAKPOSOAROWCG-AWEZNQCLSA-N 358.463 4.268 5 40 FIBB Cc1cc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc(C)c1Cl 72228846 IQQNXPZHQBIZHJ-UHFFFAOYSA-N 362.813 4.499 5 40 FIBB C[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc3ccccc3c(=O)c2c1 95457275 SZWYKRXHDFNQML-AWEZNQCLSA-N 359.381 4.352 5 40 FIBB Cc1c(NC(=O)CSCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 4699520 FZDGYLVHDBLPJQ-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccccc2)o1 6652844 AQJAWMLRWWLLSW-UHFFFAOYSA-N 356.309 4.158 5 40 FIBB Nc1cc(F)ccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 7376630 OVMDENHJODPJJQ-UHFFFAOYSA-N 363.344 4.025 5 40 FIBB CC(C)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 25928529 ZNEZSXDMHGVPRW-GOSISDBHSA-N 352.394 4.132 5 40 FIBB Cc1c(CSc2nnc(-c3ccccc3F)n2C)cccc1[N+](=O)[O-] 40127282 UWGBFBWIXYETIT-UHFFFAOYSA-N 358.398 4.130 5 40 FIBB CCCCCC(=O)Nc1ccc(C(=O)COc2ccccc2[N+](=O)[O-])cc1 5109230 SEIKTADBIQPPBK-UHFFFAOYSA-N 370.405 4.375 5 40 FIBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1F 6541066 FRPUKKGQCWUINN-UHFFFAOYSA-N 373.365 4.118 5 40 FIBB Cc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408571032 MXHIQVBZTOOBIZ-QGZVFWFLSA-N 372.425 4.133 5 40 FIBB C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O2 2601943 JAEKJKKECDNXAW-RHSMWYFYSA-N 359.769 4.018 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(F)c1 58381544 XEUOPNLOHOWWBI-INIZCTEOSA-N 358.369 4.237 5 40 FIBB C[C@@H](Sc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1c(F)cccc1F 63267130 MXOKQIPNSDTXEP-MRVPVSSYSA-N 352.366 4.091 5 40 FIBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2 100901874 INKHNBFWANDRDJ-CBLJQSSYSA-N 371.389 4.073 5 40 FIBB O=C(Oc1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1807859 XETLONOKCAMDQB-UHFFFAOYSA-N 364.313 4.389 5 40 FIBB CCCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O 5351478 VQYHONRDUHQQDM-UHFFFAOYSA-N 373.456 4.024 5 40 FIBB Cc1cc(NC(=O)/C=C\c2ccccc2)nc2c1c(=O)oc1ccccc12 17014072 QWPAMMKAUMUIHJ-QXMHVHEDSA-N 356.381 4.302 5 40 FIBB CCCOc1ccccc1CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 217941734 WBXYOTQUUHIZTC-UHFFFAOYSA-N 356.422 4.055 5 40 FIBB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2S)cc1Cl 3324249 FNQHCXMPINCXTA-NVNXTCNLSA-N 373.821 4.230 5 40 FIBB Cc1cc([C@@H]2CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)on1 47287612 NYFOIMKSZBBEBU-ZDUSSCGKSA-N 357.391 4.083 5 40 FIBB CN1/C(=C/[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21 2474955 IVZMWOLSZWXFMQ-BBJIBYMTSA-N 366.417 4.087 5 40 FIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(=O)c2ccccc2)cc1 15592565 NGOMRRQUFUFXSA-UHFFFAOYSA-N 364.332 4.217 5 40 FIBB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Cl)c([N+](=O)[O-])c1 59294125 ZIMHHTZGPWUCCL-UHFFFAOYSA-N 369.189 4.159 5 40 FIBB O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 39860697 DZUMUKMJEFJULH-ZROIWOOFSA-N 360.778 4.489 5 40 FIBB O=C(c1ccccc1)[C@@H]1CCC[C@@H](Sc2ccccc2[N+](=O)[O-])C1=O 3227033 GTDHNSRJYJDPCM-WMLDXEAASA-N 355.415 4.308 5 40 FIBB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc([N+](=O)[O-])c1 14206900 BXRCUJYWPIPVKY-UHFFFAOYSA-N 373.315 4.099 5 40 FIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCC1(c2ccccc2)CC1 40068892 KJCKQHWGDUDUHO-OAHLLOKOSA-N 353.422 4.029 5 40 FIBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccncc1)CO2 57093593 FCYULAGKZZKZOE-UHFFFAOYSA-N 358.397 4.002 5 40 FIBB COc1ccc([C@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)cc1 1306223 PFTZAIRXBHPFGC-GOTSBHOMSA-N 368.497 4.310 5 40 FIBB Nc1c(Cl)cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 3407799 DNZDARDZMKKOOW-UHFFFAOYSA-N 360.584 4.390 5 40 FIBB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12550176 HJMGDDZLRYKQEE-OAHLLOKOSA-N 368.437 4.024 5 40 FIBB C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])C1 15833899 TWRJANHGUYARNA-GFCCVEGCSA-N 354.366 4.141 5 40 FIBB CCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1807971 FWEOFRAIQSBDDC-UHFFFAOYSA-N 362.769 4.067 5 40 FIBB COc1cccc(-c2nc(COc3ccc(C)nc3[N+](=O)[O-])cs2)c1 7229477 GHGXWXRCYPNVJC-UHFFFAOYSA-N 357.391 4.009 5 40 FIBB Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 848279 AIKSPZVPBCVMPL-UHFFFAOYSA-N 353.403 4.203 5 40 FIBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 3114522 HTXKRDOKGXCNLJ-HMFGGZQFSA-N 354.749 4.149 5 40 FIBB C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 3200458 FXGKMOFQMJMCIJ-MRVPVSSYSA-N 351.815 4.082 5 40 FIBB CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 409093732 BITZDWHOHUJSJL-UHFFFAOYSA-N 369.450 4.197 5 40 FIBB COc1ccccc1CNc1ccc(-c2nc(C(C)C)no2)cc1[N+](=O)[O-] 8586934 DPEHLHRRLDROIT-UHFFFAOYSA-N 368.393 4.389 5 40 FIBB aggregator O=[N+]([O-])c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 104109270 GHXAEXFAUDQRPB-UHFFFAOYSA-N 373.199 4.222 5 40 FIBB Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 217941505 NYGNONQBOPSXNV-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB COc1ccc(OC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408976060 OYKLYHSUVSCOJZ-UHFFFAOYSA-N 369.380 4.492 5 40 FIBB O=[N+]([O-])c1ccc(F)cc1Oc1nc(C(F)(F)F)nc2ccccc12 9740945 XXPHGCICGRDYHJ-UHFFFAOYSA-N 353.231 4.488 5 40 FIBB CCOc1ccccc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 13668721 INWMHHXINVRJLU-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N2 4501942 AXEYRDWBKXCQGL-INIZCTEOSA-N 369.402 4.387 5 40 FIBB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-] 7112795 VQTWHNDEBZRXEO-LJQANCHMSA-N 363.373 4.263 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 8707743 MSDNEPSHRMRVAM-MRXNPFEDSA-N 370.796 4.102 5 40 FIBB O=C(CN(C1CC1)[C@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] 48326165 VTOMCQRCVSESQW-IBGZPJMESA-N 365.433 4.075 5 40 FIBB C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 75800567 NVSUAZGQGZESER-LBPRGKRZSA-N 362.813 4.260 5 40 FIBB Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1C(=O)O 20140439 NAGZKRFNMUENAN-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB O=[N+]([O-])c1cc(Cl)ccc1N1CCCN(Cc2cccs2)CC1 89800010 WBNBKVRFBPQQSV-UHFFFAOYSA-N 351.859 4.022 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Cl)cc1Cl 870616 RTXOLFAIGVPQCJ-VGOFMYFVSA-N 363.156 4.246 5 40 FIBB c1ccc(-c2nc3sc4c(ncn5cnnc45)c3c3c2CCCC3)cc1 1425814 BIIXMJMTHIWENN-UHFFFAOYSA-N 357.442 4.433 5 40 FIBB O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)c12 2637182 ZMBWKZJPYHWVJA-UHFFFAOYSA-N 363.398 4.151 5 40 FIBB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 2737011 ZHKACLNYECLESD-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB O=[N+]([O-])c1ccc(C2=NNC(c3cccs3)=Nc3ccc(F)cc32)cc1 4129817 XAMWYWJJOBHTSC-UHFFFAOYSA-N 366.377 4.229 5 40 FIBB CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 4902819 UWFKEESMWBVJJH-UHFFFAOYSA-N 367.405 4.040 5 40 FIBB COc1ccccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 6124964 YZMXFLZDPBYKPV-AWEZNQCLSA-N 369.421 4.092 5 40 FIBB CC(=O)c1ccc(Sc2nnc3sc4ccccc4n23)c([N+](=O)[O-])c1 6313267 WVMSGBHECXFQFB-UHFFFAOYSA-N 370.415 4.206 5 40 FIBB O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCc1cccc([N+](=O)[O-])c1 7779587 DSSZAXBDUCINES-RMKNXTFCSA-N 351.280 4.370 5 40 FIBB CC(C)c1noc(-c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)n1 20898137 ZQHUGZJWAKKWBB-UHFFFAOYSA-N 352.394 4.423 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1ccccc1C 36621078 WWBMIBFURRPDIP-QGZVFWFLSA-N 355.394 4.281 5 40 FIBB CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 23391575 JVFLXNQJWSBCBK-UHFFFAOYSA-N 369.830 4.372 5 40 FIBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 6243465 VNOPIUWYHZWGGL-LBPRGKRZSA-N 357.435 4.235 5 40 FIBB CCN(CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 6949697 MUZDYBPLLRAECJ-UHFFFAOYSA-N 361.829 4.342 5 40 FIBB Cc1ccc(OCC(=O)N[C@@H](C)c2cccc3ccccc23)c([N+](=O)[O-])c1 8506283 HVJQIKACFUVLTQ-HNNXBMFYSA-N 364.401 4.313 5 40 FIBB Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1[N+](=O)[O-] 409184083 IMRBMDFGKJIBCF-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB O=[N+]([O-])c1ccc(C2=NO[C@H]3[C@@H]2C3(c2ccccc2)c2ccccc2)cc1 4729174 OYSKUIOHXZPLOM-CTNGQTDRSA-N 356.381 4.314 5 40 FIBB CC1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 6515649 UJQOPXQLOXLVIJ-BJMVGYQFSA-N 365.433 4.483 5 40 FIBB Cc1csc(-n2c(C)cc(C(=O)COc3ccc([N+](=O)[O-])cc3)c2C)n1 10671230 IEVQUQIPJWJWJX-UHFFFAOYSA-N 371.418 4.029 5 40 FIBB CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc([N+](=O)[O-])cc1 4691200 VUVITUIIEFNIMF-FQEVSTJZSA-N 363.417 4.472 5 40 FIBB CCN(CC)CCNc1c(O)cc(C)c2sc3ccccc3c(=O)c12 5390092 KAEPIGKWCOVABV-UHFFFAOYSA-N 356.491 4.182 5 40 FIBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 6595881 KBFZCSNXVMZEDS-FQEVSTJZSA-N 361.353 4.376 5 40 FIBB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])cc1 10157716 JZTMFTOTIXUDOX-UHFFFAOYSA-N 352.390 4.446 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 3514998 YPTLSSPLHUGJGF-JTQLQIEISA-N 366.826 4.376 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)cc1 4058862 YHDQKPCYOAYHTP-UHFFFAOYSA-N 350.382 4.071 5 40 FIBB CC(C)C(=O)Nc1ccc2oc3ccc(NC(=O)C(C)C)cc3c(=O)c2c1 4118139 JMARYZMNTDROBW-UHFFFAOYSA-N 366.417 4.135 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NCc1cccnc1 8587024 XJVAKWFKIKVSNI-UHFFFAOYSA-N 373.372 4.319 5 40 FIBB Cc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n(C[C@@H]2CCCO2)c1C 20990231 KCKOYADQOAYSOL-PBHICJAKSA-N 361.467 4.440 5 40 FIBB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071850 MHAVHXLOKMNKAH-UHFFFAOYSA-N 362.451 4.242 5 40 FIBB CC[C@@H](OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])[C@H](C)c1ccccc1 1648433 CYURGZSPOCXTGB-MLGOLLRUSA-N 357.362 4.032 5 40 FIBB O=[N+]([O-])c1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 6601281 FDIRZJPOUSOBDP-UHFFFAOYSA-N 366.446 4.404 5 40 FIBB O=C(Nc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1 7748255 JXFFZICKXHQHPM-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB O=[N+]([O-])c1ccc(CCSc2nnc3c(Cl)cc(Cl)cn23)cc1 42129735 WYWDFZIDKARLFX-UHFFFAOYSA-N 369.233 4.279 5 40 FIBB O=C(Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4719161 PNEQRBCOMMHZBS-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB CC(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 8052156 YFRNAAGCXDGTEG-SFHVURJKSA-N 357.410 4.030 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1NCc1ccco1 20898101 GKPSPHLPBDSSHE-UHFFFAOYSA-N 352.306 4.110 5 40 FIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(C)c1 225876821 LSRMPFZEWCXQMV-INIZCTEOSA-N 362.813 4.446 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1 1910454 DZQZSIOWGFYTJP-UHFFFAOYSA-N 364.785 4.055 5 40 FIBB O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1Cl 2638680 ZMMOPPKFWMZWDB-UHFFFAOYSA-N 373.565 4.402 5 40 FIBB O=[N+]([O-])c1ccc(CSc2nnc3c(Cl)cc(Cl)cn23)cc1 6099493 LKHYAQZOCZNFKI-UHFFFAOYSA-N 355.206 4.237 5 40 FIBB O=[N+]([O-])c1ccc2nc(SCc3cn4cc(Cl)ccc4n3)[nH]c2c1 13136868 SPNHUUZBTTUCHI-UHFFFAOYSA-N 359.798 4.065 5 40 FIBB aggregator CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778777 PQRFLZSBZGCPDU-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB COc1ccccc1-n1cnnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 7207449 OXXYPGFYWCCKQG-GFCCVEGCSA-N 356.407 4.037 5 40 FIBB O=C(CSCc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1Cl 222704936 YEMHZHVFEQPBHU-UHFFFAOYSA-N 354.790 4.259 5 40 FIBB CCc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 8016638 RYOCFVVQVNLILR-UHFFFAOYSA-N 353.422 4.012 5 40 FIBB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 14258188 DCIJBGNENSKJPX-UHFFFAOYSA-N 352.346 4.018 5 40 FIBB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140506 XLPQHUHSBNANSN-UHFFFAOYSA-N 366.329 4.114 5 40 FIBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Cl)cc1 805778 ITBAYSAWMDAPMR-UHFFFAOYSA-N 352.733 4.202 5 40 FIBB CCOc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1[N+](=O)[O-] 8071848 TUFXBNYELRVOHE-UHFFFAOYSA-N 351.362 4.102 5 40 FIBB Cc1ccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 13569645 DSULLEWIJPKBEX-UHFFFAOYSA-N 355.379 4.066 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1cccnc1[N+](=O)[O-] 15164100 XIGBBJFVUALNEK-UHFFFAOYSA-N 363.635 4.363 5 40 FIBB C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1ccc2c(c1)CCC(=O)N2 52360294 NSGUZTIVZRYARQ-LBPRGKRZSA-N 362.389 4.201 5 40 FIBB COP(=O)(OC)[C@H](Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 3092827 ZCJCKMMYABBXDX-INIZCTEOSA-N 350.311 4.500 5 40 FIBB O=c1[nH]c(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc12 7489023 CYIIRFHJBYJHCL-QPEQYQDCSA-N 362.172 4.222 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709312 RAQGGINXPUKLGC-CQSZACIVSA-N 350.374 4.462 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(C3CC3)nc2c1 33213996 VATFKBRDYNMIGW-UHFFFAOYSA-N 369.402 4.344 5 40 FIBB O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1 642802 HZLFUCXTDDDABQ-UHFFFAOYSA-N 353.300 4.190 5 40 FIBB C[C@@H]1CCc2c(sc3ncnc(OCc4cccc([N+](=O)[O-])c4)c23)C1 6559307 JULKVKMQAXGODC-LLVKDONJSA-N 355.419 4.303 5 40 FIBB O=c1c([N+](=O)[O-])c(Nc2cccc(Nc3ccccc3)c2)nc2ccccn12 12521899 SRRBVDNOFHULBC-UHFFFAOYSA-N 373.372 4.090 5 40 FIBB CC(C)(C)c1ccc(OCc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1 34925945 DXPBMPBWXWDRRT-UHFFFAOYSA-N 352.394 4.256 5 40 FIBB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 33158664 YPMUVFFEGYGYON-UHFFFAOYSA-N 371.393 4.342 5 40 FIBB O=[N+]([O-])c1c(N[C@@H]2CCCc3cc(OC(F)F)ccc32)nc2ccccn12 70040720 WTUYLMZYHXLZIU-CQSZACIVSA-N 374.347 4.333 5 40 FIBB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215026179 ISLJSFDZDSWKHA-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cc2ccccc2oc1=O 1889227619 XBKLGQKISXJHRM-UHFFFAOYSA-N 364.140 4.239 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 8367422 VOGMIKUGPJNPKQ-CYBMUJFWSA-N 367.430 4.224 5 40 FIBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 89573932 WRZLKWDFXGVXAB-GFCCVEGCSA-N 368.418 4.104 5 40 FIBB O=C(Nc1ccc(Br)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 834107 ZXRSIAVEQAJDJX-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB CC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1 851283 OCCJOFPSGQDCTM-UHFFFAOYSA-N 357.365 4.401 5 40 FIBB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)N2 1106641 GOALJPIAUGPLFR-INIZCTEOSA-N 369.402 4.387 5 40 FIBB NC(=O)c1ccc(Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 7166396 FNOHFFBTBDPBPI-UHFFFAOYSA-N 364.357 4.065 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38853876 KTVRVSGAOZHGJH-OAHLLOKOSA-N 373.840 4.099 5 40 FIBB Cc1cccc(C)c1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1 57292231 KQOQYXRJXSPTCI-FQEVSTJZSA-N 367.449 4.377 5 40 FIBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C)c([N+](=O)[O-])c1 217942730 ITKMQSUHPFDECO-MRXNPFEDSA-N 354.406 4.244 5 40 FIBB COc1ccc(OC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 408722373 STKHLWCZIZZWAY-UHFFFAOYSA-N 369.380 4.492 5 40 FIBB C[C@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O2 2601944 JAEKJKKECDNXAW-PBHICJAKSA-N 359.769 4.018 5 40 FIBB O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3cccs3)o2)cc1 48363781 GFKJPEHIZMKZOC-UHFFFAOYSA-N 363.420 4.268 5 40 FIBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1cc3cc([N+](=O)[O-])ccc3oc1=O)C2 100901876 INKHNBFWANDRDJ-KRYHZZBUSA-N 371.389 4.073 5 40 FIBB O=C1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C2(CCCCC2)O1 2259071 RJNQWRLBZVRUKN-CQSZACIVSA-N 358.419 4.452 5 40 FIBB Cc1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1O 7698922 ZDMHMVZIPLATJX-UHFFFAOYSA-N 360.365 4.317 5 40 FIBB CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 68711614 HGMRZGLYVZNEMA-ZFWWWQNUSA-N 364.442 4.091 5 40 FIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F 27358997 STHBMMVQLNKXDS-CQSZACIVSA-N 350.321 4.077 5 40 FIBB COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 40068819 ZGALPXSWUCNAAM-CABCVRRESA-N 371.437 4.375 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1 1660126 DGNIPXYRMLXLQW-ZCQKWSGTSA-N 372.380 4.043 5 40 FIBB Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C)c2)no1 4742110 XHJAEJMTQBNGLA-UHFFFAOYSA-N 372.768 4.167 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1cccc(C(F)(F)F)c1 6082847 QAXCGGFCCSRIGS-BQYQJAHWSA-N 351.280 4.370 5 40 FIBB COc1ccccc1-c1nc(COC(=O)c2ccccc2[N+](=O)[O-])cs1 32941939 QKFJKRCQTHIULS-UHFFFAOYSA-N 370.386 4.084 5 40 FIBB O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 44333117 OHKBAPIABRAIPK-UHFFFAOYSA-N 369.402 4.122 5 40 FIBB O=C(NCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408915326 ZPWROVOTIUCZIS-RCCKNPSSSA-N 358.397 4.452 5 40 FIBB COc1ccc(Nc2ccc([N+](=O)[O-])c(OC)c2)cc1Br 19872979 TVSORTNASINSIK-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB Cc1cccc(OCc2nnc(SCc3csc([N+](=O)[O-])c3)o2)c1 47171269 NSVGOVTVTCMSDQ-UHFFFAOYSA-N 363.420 4.219 5 40 FIBB Cc1c(C(C)C)c(=O)c2ccccc2n1CCOc1cccc([N+](=O)[O-])c1 559644575 QCXZMWURLUTNQB-UHFFFAOYSA-N 366.417 4.421 5 40 FIBB Cc1c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-] 8137017 JBTSWPCQDDCGIT-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Cl)cc2)CC1 39772741 COCRQRBXGBXIAL-UHFFFAOYSA-N 373.840 4.099 5 40 FIBB COC(=O)/C=C/c1ccc(Nc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])c1 58380436 FRQLCVCJGDVWRV-XBXARRHUSA-N 351.362 4.314 5 40 FIBB CCN(CC)CCNc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12 4522710 YGJLVGQKEYEPAW-UHFFFAOYSA-N 371.462 4.077 5 40 FIBB Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 4549952 OXHUTOJGCMJUTG-UHFFFAOYSA-N 352.144 4.318 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(Cl)cc1Cl 4588555 RTXOLFAIGVPQCJ-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB CCN(CC)c1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] 20897660 YLNSGXVXOTUTQH-UHFFFAOYSA-N 352.394 4.466 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57131149 ADJVOZAIOPEMEU-UHFFFAOYSA-N 373.771 4.067 5 40 FIBB Cc1nn(C(=O)c2cccs2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 834973 NOXQWJYFERFXEV-UHFFFAOYSA-N 359.432 4.309 5 40 FIBB Cc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1 3514038 CKZSSHWPJHJVPM-UHFFFAOYSA-N 373.748 4.020 5 40 FIBB Cc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C 7093752 IDANMZADQLTAKY-HNNXBMFYSA-N 358.463 4.322 5 40 FIBB COc1cc(C2SCCS2)ccc1Oc1ncccc1[N+](=O)[O-] 7186671 RUFRZSKCROKFKN-UHFFFAOYSA-N 350.421 4.269 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc2oc3ccccc3c2c1 7345026 QNHJILIWYBVWMO-UHFFFAOYSA-N 363.325 4.479 5 40 FIBB Cc1sc2c(c1C)c(=O)nc1c3ccccc3/c(=C\c3ccccc3F)n12 16756687 NOKQYKWJCFHRDS-WOJGMQOQSA-N 374.440 4.366 5 40 FIBB COc1cc(Nc2ccc(OC)c(Br)c2)cc([N+](=O)[O-])c1 19872973 LPEOZPGQTBDXCD-UHFFFAOYSA-N 353.172 4.118 5 40 FIBB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 40112163 OGPXHDWQZQQBJQ-JTQLQIEISA-N 353.205 4.263 5 40 FIBB CCOc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 218119563 VFTZRHKUZIHJLG-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225507529 SLTNIQOCJPKZOA-UHFFFAOYSA-N 354.406 4.362 5 40 FIBB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409063836 AHVVYDIWBURFNR-OQLLNIDSSA-N 358.375 4.219 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(O)c(Cl)c1 4823281 BTXGXNSBEUYGGC-ZZXKWVIFSA-N 353.161 4.259 5 40 FIBB CSc1ccc(C(=O)OCC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 5426190 FQXGALOPCSWTTK-UHFFFAOYSA-N 373.430 4.480 5 40 FIBB Cc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 5446720 LEMCYFXSXIFWIR-UHFFFAOYSA-N 369.402 4.044 5 40 FIBB Cc1nc([N+](=O)[O-])c(SCC(=O)c2ccccc2)n1Cc1ccccc1 27246898 CKGPWFJULBGVGX-UHFFFAOYSA-N 367.430 4.123 5 40 FIBB C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 222901492 MPIHEWUFZHFLGX-NRUITVPNSA-N 350.418 4.364 5 40 FIBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc([N+](=O)[O-])c1 3893256 KLBMYBJWBRGVMB-UHFFFAOYSA-N 358.357 4.390 5 40 FIBB Cc1ccc(C)c(C(=O)COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 7987671 ALEAFNSRODQVGZ-SOFGYWHQSA-N 373.792 4.304 5 40 FIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 14898359 ACHDAMNDWZWAHG-UHFFFAOYSA-N 354.193 4.342 5 40 FIBB C[N+]12CCCC[C@H]1[C@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2 1322289 XUNGHYMVYCTHPS-GGGSXUAESA-N 356.530 4.451 5 40 FIBB O=C([C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCCCC1 8184049 CZDCCZHOOYSYFG-SFHVURJKSA-N 374.824 4.381 5 40 FIBB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc([N+](=O)[O-])o1 4278866 KIMMIDSCBRIDNP-UHFFFAOYSA-N 369.402 4.442 5 40 FIBB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 9226461 IUKOPGWICWRUDX-UHFFFAOYSA-N 373.368 4.333 5 40 FIBB C[C@@H]1[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC[C@H]1C 106524122 QQFXMJRGSYGKQY-GJYPPUQNSA-N 362.473 4.096 5 40 FIBB O=[N+]([O-])c1ccc(CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1 4355872 XGYGNNIKDBWMNP-UHFFFAOYSA-N 368.374 4.252 5 40 FIBB CCN(c1cccc2ccccc12)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 6757821 LREKNLOHEUTYFH-UHFFFAOYSA-N 370.430 4.272 5 40 FIBB CC(C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccs1 15183034 HVRZRMQZZXFRTR-QGZVFWFLSA-N 359.451 4.358 5 40 FIBB COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1[N+](=O)[O-] 20026679 CNYPWUYFXYRESQ-QGZVFWFLSA-N 370.405 4.212 5 40 FIBB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2Sc1ccccc1[N+](=O)[O-] 104087492 PWZDIKWSVYKPKO-NVXWUHKLSA-N 355.463 4.218 5 40 FIBB CCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC 224710778 JFYGGMBLPHQJKC-UHFFFAOYSA-N 372.421 4.481 5 40 FIBB C[C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 3200950 OVVBVNWPSBFNSI-QMMMGPOBSA-N 351.815 4.082 5 40 FIBB O=C(Nc1nc(Br)c2ccccc2c1[N+](=O)[O-])c1ccccc1 4272206 LDXQRAUCKOQVEV-UHFFFAOYSA-N 372.178 4.158 5 40 FIBB CCN(CC)CCNc1ccc(C)c2sc3ccc(N)cc3c(=O)c12 5390414 DCZRJSQCMWPKDP-UHFFFAOYSA-N 355.507 4.059 5 40 FIBB Cc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 7361882 AYWCDGCUFQAYPH-CYBMUJFWSA-N 354.435 4.396 5 40 FIBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1SC[C@H]1CCCO1 7627065 MHEPFGDOPCYLIS-MRXNPFEDSA-N 373.430 4.223 5 40 FIBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1c1nc2ccccc2s1 24383573 XOIVZIJEQVASTI-LBPRGKRZSA-N 357.391 4.165 5 40 FIBB O=C(Nc1cccc(O)c1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1 96361332 IZKPYPBDHUIPFZ-UHFFFAOYSA-N 365.345 4.002 5 40 FIBB CC(C)(C)c1nc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2o1 32818741 UGTRSEVKRJJBJA-UHFFFAOYSA-N 353.378 4.215 5 40 FIBB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1[N+](=O)[O-] 33739438 PXOGCPLWGXQQLL-UHFFFAOYSA-N 359.813 4.409 5 40 FIBB Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1cc(Cl)c2c(c1)OCO2 1463353 MSGLGXAZZSWVBG-CYBMUJFWSA-N 358.781 4.267 5 40 FIBB CC[C@H](OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 1648430 CYURGZSPOCXTGB-LRDDRELGSA-N 357.362 4.032 5 40 FIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2ccc(F)cc21 15199219 QZKYXLKDLFXDBY-IEXSPKMKSA-N 358.394 4.100 5 40 FIBB CC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 5003843 YXSJREZTZNJYJB-UHFFFAOYSA-N 362.210 4.041 5 40 FIBB Nc1ccccc1Sc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 6045440 RQUHMJCHQWTZSI-UHFFFAOYSA-N 359.285 4.255 5 40 FIBB COc1ccc(C(=O)[C@H](C)Oc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 12521515 IMZPHZNFFRKVNY-AWEZNQCLSA-N 373.408 4.340 5 40 FIBB Cc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408577434 ZMFDHNMBSPMSBD-GOSISDBHSA-N 368.462 4.303 5 40 FIBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\C=C\c1ccccc1 12375771 WOQNNRXFOUHEDC-GVEAZFNLSA-N 354.749 4.149 5 40 FIBB Cc1ccccc1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 20104159 AKNWLHFPNKHQLS-JOCHJYFZSA-N 360.413 4.352 5 40 FIBB Cc1nc2ccccc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 29281898 ZUSAQKOOZFLXKC-UHFFFAOYSA-N 369.402 4.005 5 40 FIBB CCN(C(C)=O)c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1 8704627 NKKHQUQFOIFLQR-QPJJXVBHSA-N 374.447 4.204 5 40 FIBB Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccc(Br)cc1 3207280 OSGVPWIGCYUSJQ-MRXNPFEDSA-N 359.223 4.419 5 40 FIBB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccc1[N+](=O)[O-] 14603065 PQTJDRRNLSTIOP-UHFFFAOYSA-N 365.414 4.459 5 40 FIBB Cc1c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] 48374895 HDFFOWLVDBVSTC-MRXNPFEDSA-N 351.406 4.424 5 40 FIBB CN(C(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1 6995510 DBHAIZBFLQUITC-UHFFFAOYSA-N 358.353 4.083 5 40 FIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccccc1 408810787 JSTLSGFHLFDGNF-ZROIWOOFSA-N 360.778 4.489 5 40 FIBB Cc1ccc(NC(=O)c2cn(Cc3ccc([N+](=O)[O-])cc3)cn2)c(Cl)c1 575614877 BGXIIGBZQTZVDF-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB COc1cccc2c1O[C@@]1(C=C2)N(C)c2ccc([N+](=O)[O-])cc2C1(C)C 3897010 QKEDDTVEWJRBJC-HXUWFJFHSA-N 352.390 4.133 5 40 FIBB O=C(NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(SC(F)(F)F)cc1 58367685 ZEKDPCGKIWWVGD-UHFFFAOYSA-N 374.315 4.276 5 40 FIBB O=C(OCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1SCCc2ccccc21 97050260 VTCGFRPHGMIIJP-INIZCTEOSA-N 363.822 4.322 5 40 FIBB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225086229 MDCFGQNJIHXTMQ-UHFFFAOYSA-N 362.451 4.044 5 40 FIBB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 995112 GWFCTLMXMIWNHD-SECBINFHSA-N 355.177 4.308 5 40 FIBB Cc1ccc(-c2noc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 7605272 NHYSIGRYVWRNIW-UHFFFAOYSA-N 358.335 4.013 5 40 FIBB C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12540216 MVDOMDNEZVNSQA-QFBILLFUSA-N 362.473 4.192 5 40 FIBB Cc1cccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCS2)c1 28527503 VLVWJQXNTSTWFH-UHFFFAOYSA-N 369.446 4.085 5 40 FIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 40079670 UWXAFXZGANTYJM-INIZCTEOSA-N 363.417 4.148 5 40 FIBB Cc1ccc(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 48300070 ASGFOGSGQSTARE-UHFFFAOYSA-N 367.449 4.091 5 40 FIBB CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(C)c1 225621551 CVMRSJUFQWAOOI-VWGXWWAPSA-N 354.406 4.193 5 40 FIBB Cc1ccc(Nc2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)cc1 869128 HOPJDEAAIPBALO-UHFFFAOYSA-N 356.773 4.229 5 40 FIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1ccccc1 8115119 WBJPIFVESCVKIV-LJQANCHMSA-N 364.426 4.444 5 40 FIBB O=C(Nc1cccc2c1CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15315599 XKUHALSNDLGEIO-UHFFFAOYSA-N 365.433 4.326 5 40 FIBB Cc1ccc([C@@H](NC(=O)Nc2ccccc2[N+](=O)[O-])C(F)(F)F)cc1 40153422 ISTDKGQZFYQDJM-CQSZACIVSA-N 353.300 4.328 5 40 FIBB Cc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1[N+](=O)[O-] 223669330 HKUYBLRKVOEEKX-UHFFFAOYSA-N 356.422 4.010 5 40 FIBB Cc1cc(-c2ccccc2)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1 409386788 XSCSZBNMUJWVEU-UHFFFAOYSA-N 351.387 4.324 5 40 FIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2cccs2)o1 6847886 WKRJAJFNKMWEAK-MRVPVSSYSA-N 351.771 4.500 5 40 FIBB Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] 11228600 IWWSJKWTFYZPDS-UHFFFAOYSA-N 352.434 4.388 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(F)cc2)o1 12774287 XZDZHFPIQJVHLW-UHFFFAOYSA-N 356.309 4.158 5 40 FIBB Nc1c(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc(F)cc1[N+](=O)[O-] 58137473 PUVQPRFQVOYLCO-UHFFFAOYSA-N 365.320 4.468 5 40 FIBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCCC[C@H]1c1ccncc1 84493604 AVOAEWNVXCGRQD-KRWDZBQOSA-N 364.405 4.229 5 40 FIBB O=C(Nc1nnc(-c2cccs2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 2641534 YZTNIAJYCHVYDO-UHFFFAOYSA-N 372.387 4.173 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N1CCCc2cc(C(F)(F)F)ccc21 24466598 FHIIBIQDVQPSNP-UHFFFAOYSA-N 350.296 4.207 5 40 FIBB CCCc1ccc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 223375196 XIWOFYCXVWWYLV-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccccc2c(=O)c1-c1ccccc1 4962584 DUTKSDZPZTZNIW-UHFFFAOYSA-N 370.364 4.334 5 40 FIBB O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6883345 RZJXIWOBJAEVEZ-UHFFFAOYSA-N 358.737 4.466 5 40 FIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 409126136 NAWIBGQBFHTVLJ-GHRIWEEISA-N 368.414 4.264 5 40 FIBB O=[N+]([O-])c1ccc(Oc2ccc(-c3nnco3)cc2)cc1C(F)(F)F 3447280 GCVDNQPPQLXWAT-UHFFFAOYSA-N 351.240 4.456 5 40 FIBB O=C(Nc1ccc(F)cc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 20430887 MFWXCVPUHJAHTM-UHFFFAOYSA-N 373.565 4.402 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(C)c2ccccc2n1 4126208 GXHWXPQXCWLYKC-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Br)c([N+](=O)[O-])c1 6236228 PSQSQNRBGZTRDV-UHFFFAOYSA-N 361.195 4.098 5 40 FIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2cccs2)o1 6847882 WKRJAJFNKMWEAK-QMMMGPOBSA-N 351.771 4.500 5 40 FIBB O=c1cc(C(F)(F)F)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2o1 7003435 KCEBUHPEDLURDZ-UHFFFAOYSA-N 365.263 4.299 5 40 FIBB O=C(COc1ccc(F)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 8766800 CABUWLSEEHMJNJ-UHFFFAOYSA-N 359.140 4.058 5 40 FIBB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408624489 XFSVEOHHSRTOLX-UHFFFAOYSA-N 364.785 4.053 5 40 FIBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1 3045108 MVNSEEZFBYQOIH-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 4567798 MSJCOBWUTKEJKX-VBKFSLOCSA-N 350.374 4.237 5 40 FIBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc([N+](=O)[O-])cc1 4705264 SJXZTHIYTPYLGS-UHFFFAOYSA-N 360.329 4.050 5 40 FIBB CCOc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 6624282 XRPTVIUQNIKZFX-UHFFFAOYSA-N 374.396 4.008 5 40 FIBB biogenic COc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 21116982 SROJYUKIOWYDKY-JTQLQIEISA-N 366.826 4.376 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1cccnc1)Cc1ccco1 40050524 YDYUXRYYHLEBQV-UHFFFAOYSA-N 371.780 4.079 5 40 FIBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1[N+](=O)[O-] 2285378 JCEABKQRMYCENJ-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 7903285 RCMAIOJQTNVMDD-ZDUSSCGKSA-N 374.462 4.050 5 40 FIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2o1 9062507 BORXKPIFLGGWQV-UHFFFAOYSA-N 366.358 4.112 5 40 FIBB Cc1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1C 12521516 HNYVFIYOKQZAIY-UHFFFAOYSA-N 372.424 4.316 5 40 FIBB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 13668709 XJBCAKBPTCKNGT-CQSZACIVSA-N 372.421 4.192 5 40 FIBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(-c2ccccc2)s1 29921902 PIUZSULYEPQTIF-UHFFFAOYSA-N 368.418 4.321 5 40 FIBB O=C(CN(C1CC1)[C@@H]1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] 48326166 VTOMCQRCVSESQW-LJQANCHMSA-N 365.433 4.075 5 40 FIBB Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccccc2SC(F)F)c1 10320585 YVDMGKWKIWADKH-UHFFFAOYSA-N 368.361 4.235 5 40 FIBB O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)NCCc1c[nH]c2ccccc12 12961199 JFAKOTDBVBAJIO-YVMONPNESA-N 369.808 4.102 5 40 FIBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(Cc2cccnc2)CC1 95458246 XPFHZEDVIHGRHW-UHFFFAOYSA-N 368.437 4.093 5 40 FIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5714439 VXQKFVPRMRVQQW-UHFFFAOYSA-N 371.280 4.154 5 40 FIBB CCC[C@@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 7780407 LFPFIMWZTKGTKF-DNVCBOLYSA-N 355.438 4.361 5 40 FIBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 20141140 IMJFKVMCFMPKEO-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CCN(CC)Cc1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 36748403 OSRDQXOUOCXOHS-UHFFFAOYSA-N 361.829 4.342 5 40 FIBB C[C@H](Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 52937893 XHFIBDGXWNXPJZ-CABCVRRESA-N 368.437 4.178 5 40 FIBB Cc1cc2oc3nc(N)c(-c4nc5ccccc5n4C)cc3c(=O)c2cc1C 94986160 UWENAXASFCIDQI-UHFFFAOYSA-N 370.412 4.094 5 40 FIBB O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 408960656 HQCGJTWBTBAFOT-YUDPATCQSA-N 352.371 4.392 5 40 FIBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 712789 INGUMVZZOPPYIJ-UHFFFAOYSA-N 354.387 4.063 5 40 FIBB COc1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)c([N+](=O)[O-])c1 3452303 IWPATVJTJGFRDQ-UHFFFAOYSA-N 374.356 4.401 5 40 FIBB Cc1ccc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1 20492288 RBWPRZYDOLKBNG-UHFFFAOYSA-N 374.356 4.207 5 40 FIBB Cc1cc(Br)cc([N+](=O)[O-])c1NC(=O)[C@H](C)c1ccccc1 95471006 IMNJXHAWWFHTAU-LLVKDONJSA-N 363.211 4.408 5 40 FIBB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O2 217942544 CTXWQWKUXBFPOF-MRXNPFEDSA-N 354.406 4.244 5 40 FIBB Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 409106723 TXBRUCJXEPNYBC-UHFFFAOYSA-N 360.826 4.430 5 40 FIBB O=C(N1CCCC1)C12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100872896 JWTJKNKSBQHUGB-RKAKKKFESA-N 354.450 4.055 5 40 FIBB O=c1c2ccccc2nc2c3ccccc3c(SCc3ccco3)nn12 948431 MNGQJXMIMJCFDC-UHFFFAOYSA-N 359.410 4.281 5 40 FIBB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 4134555 HICHPDHZZUNFIX-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB Cc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)c([N+](=O)[O-])c1 5659899 OQXPJOVNSIMMOI-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-] 9141527 OKAQOQLDSIKYFX-UHFFFAOYSA-N 358.394 4.053 5 40 FIBB Cc1cccc(N2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)c1 100889694 SXLTWBRODQBWCV-LLSQANQASA-N 369.446 4.084 5 40 FIBB Cc1cc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc12 7977721 QPPBOZTYOVLMPX-UHFFFAOYSA-N 371.393 4.321 5 40 FIBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 9898236 CDAQYSZZSPBEBH-IBGZPJMESA-N 370.405 4.244 5 40 FIBB Cc1c(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] 12773370 PEHGVJPDDSNFAF-UHFFFAOYSA-N 368.433 4.094 5 40 FIBB Cc1ccc(C)c(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)c1 40169681 HDEXGSXEOYQFRT-UHFFFAOYSA-N 358.785 4.229 5 40 FIBB COc1ccccc1C(=O)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 6660745 YQXVLMQMIKULKQ-UHFFFAOYSA-N 363.344 4.346 5 40 FIBB O=c1nc2c3ccccc3/c(=C\c3ccccc3)n2c2sc3c(c12)CCC3 16740310 BZTULXMWDVTRIW-QGOAFFKASA-N 368.461 4.099 5 40 FIBB COC(=O)/C=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 23078540 NNSPJOCMEHAWTG-XBXARRHUSA-N 363.753 4.235 5 40 FIBB C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 31663457 ZXERWPOJAXSMFJ-JTQLQIEISA-N 369.299 4.376 5 40 FIBB O=C(Nc1cccc(Br)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990960 YFVSCHINEMXUNL-UHFFFAOYSA-N 361.195 4.028 5 40 FIBB COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 10846115 PRUHNEQXPGGVIH-JSFDKUKPSA-N 359.422 4.156 5 40 FIBB CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 223665301 VFVGKWMTZUMBAU-JLHYYAGUSA-N 368.433 4.101 5 40 FIBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cc(F)ccc1F 1507934 CZQJDBUTEQLEPP-GFMRDNFCSA-N 350.324 4.196 5 40 FIBB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 3207608 ANMXGMLJYWGNHL-GFCCVEGCSA-N 359.451 4.455 5 40 FIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 5427533 SMNJMHVOFVFPAV-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1Cl 5441196 UJBKUKUZZXGOBY-UHFFFAOYSA-N 373.796 4.017 5 40 FIBB CC(C)COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17076076 WEYHUYKOYSMEMM-UHFFFAOYSA-N 371.418 4.492 5 40 FIBB O=C(c1csc([N+](=O)[O-])c1)N1CCCc2cc(C(F)(F)F)ccc21 44479388 OYOGFHNFSUPIRP-UHFFFAOYSA-N 356.325 4.268 5 40 FIBB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 44841380 LABJKJSNDKKNON-GOSISDBHSA-N 356.422 4.429 5 40 FIBB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O2 217942462 CTXWQWKUXBFPOF-INIZCTEOSA-N 354.406 4.244 5 40 FIBB CCCCCOC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 2068051 AQAMPQWJWDSPDR-UHFFFAOYSA-N 356.378 4.194 5 40 FIBB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4070087 RVPCPOCMPLUPSO-UHFFFAOYSA-N 363.329 4.007 5 40 FIBB CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCC 4342093 DELBRDVAKOKGKX-YRNVUSSQSA-N 370.405 4.353 5 40 FIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1 8471200 ABYKLLPGCSCJHP-ZXTYOHMPSA-N 372.380 4.043 5 40 FIBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCc2ccccc2)CC1 12997815 JTCLCKOPFWOGMX-UHFFFAOYSA-N 368.433 4.088 5 40 FIBB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 23243616 YWVYHBDDWOJZAZ-UHFFFAOYSA-N 363.373 4.356 5 40 FIBB CCNc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] 30884916 NJEPFYLSLGHTJL-UHFFFAOYSA-N 369.299 4.178 5 40 FIBB O=C(CNc1ccccc1[N+](=O)[O-])OC1c2ccccc2-c2ccccc21 62676964 QTBLXVMJDQADJA-UHFFFAOYSA-N 360.369 4.320 5 40 FIBB Cc1ccsc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 79313806 JTAYVVXCDSEWKQ-UHFFFAOYSA-N 358.341 4.256 5 40 FIBB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408629011 HVTMVNFLLSMSPU-UHFFFAOYSA-N 366.417 4.409 5 40 FIBB O=c1[nH]c2ccccc2n1CCCSc1ccc(Cl)cc1[N+](=O)[O-] 2626347 YXUMCSAGEABQAO-UHFFFAOYSA-N 363.826 4.074 5 40 FIBB CCCCN(C)C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 4931035 JOVFKQDYMXFSMG-UHFFFAOYSA-N 372.450 4.152 5 40 FIBB O=C(COc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Br 7342111 WHHZHRPZGSLREF-UHFFFAOYSA-N 370.586 4.272 5 40 FIBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1 8179678 LARRMQAFTANDJS-QPEQYQDCSA-N 363.156 4.246 5 40 FIBB Cc1cc(C)c2nc(C)cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2c1 12421878 CJPQMRQPYMBQES-UHFFFAOYSA-N 365.389 4.086 5 40 FIBB O=[N+]([O-])c1ccc(N2CCCC2)c([C@H]2OCCCN2Cc2ccccc2)c1 59489902 OVWKVXLKHAYGFV-OAQYLSRUSA-N 367.449 4.116 5 40 FIBB O=[N+]([O-])c1ccc2oc(-c3cccc(I)c3)nc2c1 73642132 CUZZTSLSZJGJCC-UHFFFAOYSA-N 366.114 4.008 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225327356 PRJULRHXZPJFSD-UHFFFAOYSA-N 369.204 4.482 5 40 FIBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)c1 408572120 QRBCIZDTLVPXTH-QGZVFWFLSA-N 372.425 4.133 5 40 FIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1coc2ccc([N+](=O)[O-])cc12 408965120 GTEBAAQGJPAFID-UHFFFAOYSA-N 361.697 4.155 5 40 FIBB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(CO)cc2Cl)c([N+](=O)[O-])c1 409115855 HVEBAEQAIXMSSP-UHFFFAOYSA-N 359.121 4.094 5 40 FIBB Cc1cc(C)c(NC[C@@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1 859278 JIMCDFDQNFVIQB-LJQANCHMSA-N 361.937 4.315 5 40 FIBB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 3451522 XRZJXNXQFMTRMD-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB Cc1cc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2cc1C 5152385 NDPJANFYZAKRFX-VOTSOKGWSA-N 353.403 4.473 5 40 FIBB Cc1ccsc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205658193 IKUSPWMBPATXCV-RIYZIHGNSA-N 360.416 4.201 5 40 FIBB CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nn1-c1ccc(F)cc1 3307083 YQYRQPMLQGSWGY-UHFFFAOYSA-N 369.352 4.072 5 40 FIBB Cc1cc(C)n2cc(CSc3nc4cc([N+](=O)[O-])ccc4s3)nc2n1 13765568 LIPFQVBBOIMADQ-UHFFFAOYSA-N 371.447 4.156 5 40 FIBB CC(C)(C)Nc1nnc(Sc2ccc([N+](=O)[O-])c3cccnc23)s1 24987382 CUSCESZVYYQXFL-UHFFFAOYSA-N 361.452 4.356 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)cc1 5076624 JFZOPALURFRMTG-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 32517163 QGCQPPIZKZSIBN-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB Cc1cccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 40072353 FATBRZDHYZGJRX-UHFFFAOYSA-N 370.796 4.054 5 40 FIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c3ccccc3c2c1 44781953 PGYRHINUHKOHGE-UHFFFAOYSA-N 361.357 4.247 5 40 FIBB O=[N+]([O-])c1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 169801765 YCURTWDYDZSWMS-UHFFFAOYSA-N 354.000 4.275 5 40 FIBB O=[N+]([O-])c1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1 4326764 MYORYBZNXYNKNJ-UHFFFAOYSA-N 369.431 4.053 5 40 FIBB C[C@H](Sc1ccc(O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 47884531 CJXSOOHNRCPQCO-VIFPVBQESA-N 352.799 4.073 5 40 FIBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1noc(-c2ccc(Cl)cc2)n1 58444278 CYGDYTIUQOUBSN-UHFFFAOYSA-N 359.769 4.494 5 40 FIBB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 215253810 SUOLJDYQLMZPDE-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB CCCCCC[C@@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NCC 5047563 YGBMPQIQWQZPLI-CRAIPNDOSA-N 350.459 4.336 5 40 FIBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 8211199 GCTTXLPDAZQFEQ-UHFFFAOYSA-N 373.718 4.318 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1Cl 21125788 VSCRTGJTNPDOGB-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-] 408619961 DYXHIKDZWYDVAD-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB O=[N+]([O-])c1cccc(CSc2nnc3c(Cl)cc(Cl)cn23)c1 3450676 WRQSYYDABUJOBQ-UHFFFAOYSA-N 355.206 4.237 5 40 FIBB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 5618311 NZSOCOYDQYNPQC-UHFFFAOYSA-N 353.147 4.057 5 40 FIBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 20140938 PZCFKFIHQKLUCM-UHFFFAOYSA-N 366.373 4.216 5 40 FIBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 29797123 RARMPPVTPMSJFC-INIZCTEOSA-N 371.462 4.234 5 40 FIBB COc1ccccc1OCCNC(=O)c1cc2ccccc2c2cccnc12 40122832 RLHRMDDLRUZBMP-UHFFFAOYSA-N 372.424 4.205 5 40 FIBB Cc1ccc(-c2oc(/C=C/C(=O)O)cc2Br)cc1[N+](=O)[O-] 40544984 LUWCOYZHELBGTP-SNAWJCMRSA-N 352.140 4.024 5 40 FIBB Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 930716 YYPFKJVCVJUYPT-UHFFFAOYSA-N 371.396 4.328 5 40 FIBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccc(Cl)cc2)s1 1009722 FNHAEMJJEWLNLV-UHFFFAOYSA-N 374.809 4.206 5 40 FIBB CC[N+](C)(CC)CCOC(=O)c1cc2cc(COCC(C)C)ccc2o1 1784073 UAWBHGSUDLHRNY-UHFFFAOYSA-N 362.490 4.249 5 40 FIBB O=C(Oc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3149168 GSTHFOGWYKTHSB-UHFFFAOYSA-N 357.105 4.029 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1F 8916771 ZWILFJKQXWBAGL-UHFFFAOYSA-N 354.337 4.170 5 40 FIBB CCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 15790670 VFHYKSQJVAZDFV-UHFFFAOYSA-N 364.785 4.216 5 40 FIBB O=C(Nc1nc(C2CC2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 25560058 JCRSYEONBSPMPT-UHFFFAOYSA-N 372.450 4.171 5 40 FIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)cc1 45888845 JQISBWDYYLXTEB-UHFFFAOYSA-N 363.211 4.480 5 40 FIBB COc1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226071344 ZIXHTIMIFSJILQ-LJQANCHMSA-N 372.529 4.009 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1ccc(Br)cc1 3232798 LASCQPLXJQVJJN-BJMVGYQFSA-N 362.179 4.114 5 40 FIBB COc1ccc([C@H](/C=C2\N(C)c3ccccc3C2(C)C)C[N+](=O)[O-])cc1 5128681 SSDVOIWYDLVABZ-FPXKJXHESA-N 352.434 4.367 5 40 FIBB O=C(CSC1=Nc2ccccc2CS1)Nc1ccccc1[N+](=O)[O-] 5325074 YBGQYEAMCAZKLS-UHFFFAOYSA-N 359.432 4.201 5 40 FIBB COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 6453976 QQCUQGPZLIAFEK-UHFFFAOYSA-N 368.345 4.124 5 40 FIBB O=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc12 6815685 OWKBCYMCPLTXDE-UHFFFAOYSA-N 359.179 4.173 5 40 FIBB O=C(Nc1ccc(Cl)cc1)[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC1 57388500 VKRIZZKYOXPAMH-KRWDZBQOSA-N 359.813 4.024 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc2ccccc2c1 222748930 GFMJHGIWFPPJOL-UHFFFAOYSA-N 366.442 4.298 5 40 FIBB O=[N+]([O-])c1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 4341458 PYXHQWKSQJXWDN-UHFFFAOYSA-N 363.402 4.016 5 40 FIBB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4698098 HFFARIVKYHMCLJ-ATVHPVEESA-N 360.325 4.199 5 40 FIBB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 20991017 ZWDWUWQPAOHFKL-VIFPVBQESA-N 370.192 4.011 5 40 FIBB Cc1c(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cccc1[N+](=O)[O-] 32765714 MTDCFXWEYZNZQO-UHFFFAOYSA-N 362.389 4.219 5 40 FIBB O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1sc2ccccc2c1Cl 36735386 NQBQOBGFMDYBGN-UHFFFAOYSA-N 360.778 4.419 5 40 FIBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 106681204 YEVXCRJXQLSPFR-DHDCSXOGSA-N 374.805 4.485 5 40 FIBB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 670542 MBULRTPXNDUXHE-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB CC(=O)c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 3256738 OUGZEVZKWBILFN-UHFFFAOYSA-N 350.168 4.139 5 40 FIBB Cc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4857223 GTPYFANFLCQIOU-UHFFFAOYSA-N 357.369 4.269 5 40 FIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1Cl 5652777 SBNRBOSJIGSENC-UHFFFAOYSA-N 362.794 4.202 5 40 FIBB O=C(NCc1nc2ccccc2[nH]1)c1cc2ccccc2c2cccnc12 44849797 NUOACQVDYZSUTR-UHFFFAOYSA-N 352.397 4.194 5 40 FIBB O=C(O)c1ccc(NCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 70503642 FTFMDNFKNLCZNM-UHFFFAOYSA-N 355.375 4.029 5 40 FIBB CCCNC(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313356 MJIWZSQJNNNNKO-UHFFFAOYSA-N 368.487 4.011 5 40 FIBB CCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1C 40122989 AHBSLMOLZNGRNS-UHFFFAOYSA-N 368.462 4.398 5 40 FIBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(C(F)(F)F)n1 408581509 IQISKGPXDPAUKL-UHFFFAOYSA-N 357.313 4.066 5 40 FIBB CC(=O)Nc1cccc(Oc2ccc(Br)cc2[N+](=O)[O-])c1 1693762 QBSQRPUWMSWNIL-UHFFFAOYSA-N 351.156 4.108 5 40 FIBB O=C1CC(/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)=Nc2ccccc2N1 5578436 BFPDQYQMTHYAAT-AATRIKPKSA-N 373.315 4.324 5 40 FIBB Cc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 224120857 MVTBYAOWMWOZPP-UHFFFAOYSA-N 369.204 4.019 5 40 FIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(Cl)c(Cl)c1 4644394 AYSPZQUOXYCAQC-ZSOIEALJSA-N 363.156 4.246 5 40 FIBB CC(C)Cc1nc2c(c(=O)c3ccccc3n2C)c2nc3ccccc3n12 5207578 OADNXKRNWKFAHO-UHFFFAOYSA-N 356.429 4.086 5 40 FIBB Cc1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c([N+](=O)[O-])c1 7464614 XWBCTYYJFTWQSC-UHFFFAOYSA-N 371.418 4.029 5 40 FIBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 20141018 ZEQLELRLUAFPFD-UHFFFAOYSA-N 366.373 4.216 5 40 FIBB Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 59294031 SOXTWBIYCYRTEZ-UHFFFAOYSA-N 353.422 4.392 5 40 FIBB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 5417546 SZURFPUCROIXQA-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCC1(c2ccccc2)CC1 40068891 KJCKQHWGDUDUHO-HNNXBMFYSA-N 353.422 4.029 5 40 FIBB Cc1nc2ccccc2n1CCCNc1ccc([N+](=O)[O-])c2cnccc12 46229361 NSMPLHNEDVDRTC-UHFFFAOYSA-N 361.405 4.303 5 40 FIBB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl 57475863 KHYKKZNXKFGIHX-UHFFFAOYSA-N 370.752 4.083 5 40 FIBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(Cl)c1 72111951 ALXKRPMKDCVUEP-HNNXBMFYSA-N 360.797 4.361 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl 3603071 UEGQHJIGIIPNTI-UHFFFAOYSA-N 371.245 4.310 5 40 FIBB COc1nc2cc(C)ccc2cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 5529427 LNEUJHHGMWERAY-UHFFFAOYSA-N 362.345 4.177 5 40 FIBB CCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])sc2cccc(Cl)c21 12180927 SYEZEDXTDYYLMJ-FBMGVBCBSA-N 361.810 4.025 5 40 FIBB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])c(F)cc1F 12824019 TVADRAVEHUYABH-UHFFFAOYSA-N 360.238 4.073 5 40 FIBB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 36621227 PRQZEFTXKVQZJT-KRWDZBQOSA-N 355.394 4.281 5 40 FIBB CCN(CC)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 59489900 ILNPAUFZJUPUHS-OAQYLSRUSA-N 369.465 4.362 5 40 FIBB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 408564122 XYCYNWSGZJUYEM-VXPUYCOJSA-N 367.430 4.194 5 40 FIBB CCOC(=O)Nc1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])cc1 1611802464 CADMXWDGGNHWCY-UHFFFAOYSA-N 352.350 4.455 5 40 FIBB Cc1cc(-c2cc3ccccc3oc2=O)nc2c1c(=O)oc1ccccc12 636503 LMBDKKRQADAJOH-UHFFFAOYSA-N 355.349 4.423 5 40 FIBB biogenic Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] 6553543 CKSDBZAQVBOFQU-UHFFFAOYSA-N 356.712 4.410 5 40 FIBB CCC1(CC)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 225265706 GTKDLUJXIYKVKQ-QGZVFWFLSA-N 354.406 4.407 5 40 FIBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)c1 4035982 FCDHPWRMBUGJRP-UHFFFAOYSA-N 372.402 4.021 5 40 FIBB CC(C)CC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12549038 CTHAOCNTFCJCGV-INIZCTEOSA-N 350.462 4.096 5 40 FIBB O=[N+]([O-])c1ccc(NCCc2nccn2Cc2ccccc2)c(Cl)c1 12559106 NQRUYIMKWOXEIK-UHFFFAOYSA-N 356.813 4.148 5 40 FIBB Cc1cccc(OCCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C 24979743 KARXSWJCZUOHLS-INIZCTEOSA-N 356.422 4.200 5 40 FIBB Cn1ccnc1[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccccc1 42109726 XYBRJOTXKGNPSI-GOSISDBHSA-N 359.389 4.078 5 40 FIBB CNC(=O)c1ccc(Nc2ccc3nc(C4CC4)sc3c2)c([N+](=O)[O-])c1 63992601 KLCZAGRCCXVUCF-UHFFFAOYSA-N 368.418 4.185 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12972325 NUPVXJRHOIOROG-CQSZACIVSA-N 367.430 4.224 5 40 FIBB Cc1conc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C 13692975 CWBJKLGCYXPOGF-UHFFFAOYSA-N 361.741 4.365 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCOc1ccccc1 59484718 NMPNWCPNVVTBNK-UHFFFAOYSA-N 371.271 4.013 5 40 FIBB COc1cc(C)c2sc3ccccc3c(=O)c2c1NCCCN(C)C 5390121 QEORQGPFDBYWHO-UHFFFAOYSA-N 356.491 4.095 5 40 FIBB O=[N+]([O-])c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 18900654 CRVMNFMFKOSQER-UHFFFAOYSA-N 350.743 4.184 5 40 FIBB O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)Cc1cccs1 24463899 XCRJCMYBZIBEJJ-UHFFFAOYSA-N 372.471 4.489 5 40 FIBB CC(C)CSc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] 32883912 KKBRRBVGXFCHEL-UHFFFAOYSA-N 374.466 4.056 5 40 FIBB COC(=O)c1cc(C(=O)OC2CCC(C(C)(C)C)CC2)cc([N+](=O)[O-])c1 3299242 RTKTYVRUURXCQI-UHFFFAOYSA-N 363.410 4.143 5 40 FIBB CCOc1ccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3332653 CUSPANHSSAPCEY-NSHDSACASA-N 363.801 4.086 5 40 FIBB CCOCc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12 7949583 BHGKFMJOCOBAME-UHFFFAOYSA-N 358.325 4.269 5 40 FIBB Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(C)(C)O2 217895203 OBXHELXQTSVZEH-DBEXCURXSA-N 366.417 4.335 5 40 FIBB C/C=C1/C[N@+]2(CCC)CC[C@]34C(=Nc5c(O)cccc53)/C(=C/O)[C@H]1C[C@@H]42 524730892 BDPFMCBRYUSSOJ-YIEQFXOHSA-O 351.470 4.137 5 40 FIBB biogenic CC1(C)C[C@H](C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)CCO1 627911 LLGJIUDIWXHKSJ-CQSZACIVSA-N 366.413 4.099 5 40 FIBB biogenic COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1C 1510616 LAFCJZVITFIERF-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB CC(=O)Oc1cn(-c2cccc(C)c2)c2nc(C)n3c4ccccc4nc3c12 5516420 ZWQRXLLGIIABLQ-UHFFFAOYSA-N 370.412 4.369 5 40 FIBB CCCCOc1ccc(C2=N/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1 8180080 IYVRRHXOXBZAHC-LGMDPLHJSA-N 366.373 4.118 5 40 FIBB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 5583065 AETUSGIXEIJDGH-UHFFFAOYSA-N 352.733 4.202 5 40 FIBB CC[C@H](C)NC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624361 KLVCXTCGFROLIB-ZDUSSCGKSA-N 369.424 4.120 5 40 FIBB biogenic Cc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)c([N+](=O)[O-])n1 9741027 TUXFFCNDQKTHOL-UHFFFAOYSA-N 350.256 4.053 5 40 FIBB CC[N+](C)(CC)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9763897 NYKPYMBEIJYQRW-GAWOJFTKSA-N 372.573 4.381 5 40 FIBB CN(Cc1cccc(Cl)c1Cl)Cn1ncc2cc([N+](=O)[O-])ccc21 22310904 AKQPYKAXACWGAD-UHFFFAOYSA-N 365.220 4.341 5 40 FIBB COc1ccc([C@H]2CCCN2c2ccc(C(C)=O)cc2[N+](=O)[O-])c(OC)c1 7366015 NGUJVOUBJGDSGY-QGZVFWFLSA-N 370.405 4.156 5 40 FIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc2ccccc12 9062428 YLGUBKPHHIWBAZ-UHFFFAOYSA-N 360.329 4.050 5 40 FIBB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] 12810300 ZGKJNWPRUMRWPZ-HNNXBMFYSA-N 364.401 4.313 5 40 FIBB COCCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1ccccc1 103449316 QYNTUXWYJHJHED-VHEBQXMUSA-N 355.419 4.004 5 40 FIBB COc1ccc([N+](=O)[O-])cc1[C@H]1NN=C(c2cccc3ccccc23)S1 2500698 FIMZPIPHFUPFON-IBGZPJMESA-N 365.414 4.453 5 40 FIBB C[C@H]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 3200457 FXGKMOFQMJMCIJ-QMMMGPOBSA-N 351.815 4.082 5 40 FIBB O=c1c2ccccc2nc2cc(-c3ccc(O)cc3)c(-c3ccccc3)nn12 4722246 ANVHWJDBJKNENN-UHFFFAOYSA-N 365.392 4.282 5 40 FIBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1[N+](=O)[O-] 20140811 FDWXLHYPZKDQLV-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CN(C)c1c(Cl)c(=O)oc2c1ccc1nc(-c3ccccc3)ncc12 1616810 QIYQCWAYEHWJAD-UHFFFAOYSA-N 351.793 4.123 5 40 FIBB CC(C)OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 6151756 MKKMMLFCLLPOMC-UHFFFAOYSA-N 362.769 4.066 5 40 FIBB C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1C)Nc1cc([N+](=O)[O-])ccc1C 6401130 DDUIKUKDJMJSFA-MDWZMJQESA-N 370.365 4.074 5 40 FIBB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 10278712 LWQVXRTZOJTJJX-UHFFFAOYSA-N 369.204 4.182 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(CCc2ccc(O)cc2)CC1 10383199 ZVSJAGSVUPZNSC-UHFFFAOYSA-N 369.421 4.177 5 40 FIBB C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)c1cccc([N+](=O)[O-])c1 80054239 YDMSMLAUYPJDMV-HNAYVOBHSA-N 368.437 4.378 5 40 FIBB Cc1ccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 409080851 OAEDSYFPHOSLSE-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)c2ccccc2)c1 1514158 IBSVPOCYNYYTBB-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB O=C(Oc1cc([N+](=O)[O-])ccc1Cl)Oc1cc([N+](=O)[O-])ccc1Cl 1576995 SSMAALJSGMNQHA-UHFFFAOYSA-N 373.104 4.388 5 40 FIBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1 3118554 VSNZVARLNFDNGV-UHFFFAOYSA-N 352.733 4.202 5 40 FIBB CCN(CC)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 6629912 LTIMAQIPUCBRAQ-FMIVXFBMSA-N 353.422 4.401 5 40 FIBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2242517 ZFRWBLUDDLRGGH-CQSZACIVSA-N 369.428 4.255 5 40 FIBB O=C(Nc1nc2c(s1)CCCC2)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6889183 XCJMRCNAIQHAFK-UHFFFAOYSA-N 369.402 4.442 5 40 FIBB Cc1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])s3)s2)c1 9365014 VYIZWHCMQDOBSY-UHFFFAOYSA-N 359.432 4.264 5 40 FIBB COc1cc(OC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cl 9591328 MFMKAZWNVBHDGL-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB Cc1cc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)no1 9641555 IFMIGUBWQUDYGY-LLVKDONJSA-N 373.390 4.026 5 40 FIBB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 15940928 ULTLXZORIIGLIM-UHFFFAOYSA-N 367.792 4.486 5 40 FIBB Cc1cc(-c2ccccc2)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 409385423 LOSFGRBOITYSAQ-UHFFFAOYSA-N 368.374 4.420 5 40 FIBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1[N+](=O)[O-] 2288161 DDYNPJXMDZHSPU-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1 5522229 UNNGURMHBTWKOB-UHFFFAOYSA-N 366.764 4.331 5 40 FIBB O=C(Nc1ccc(F)cc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 97102838 NPXZQZUUWOXSEF-UHFFFAOYSA-N 368.314 4.351 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)cc(Cl)c1OC 408623472 UOMSLOQUKLWDQO-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB Cc1ccccc1N(c1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1 4191126 QKQFKEOKZKONEH-UHFFFAOYSA-N 351.322 4.071 5 40 FIBB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 4917978 SPIBNWBVSQVFQX-UHFFFAOYSA-N 368.345 4.124 5 40 FIBB COc1ccc(-c2n[nH]c(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 7866287 CQYXHSFHTKDXCH-NSHDSACASA-N 356.407 4.242 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc(-c2ccccc2)n1 7995675 BZDAQPDCXPPNMM-UHFFFAOYSA-N 353.403 4.208 5 40 FIBB CCCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CC1 95349777 LDNLTUXNCQHCLZ-AWEZNQCLSA-N 368.437 4.178 5 40 FIBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2ccccc2)cs1 2200592 RFALFPZDIDMVFW-UHFFFAOYSA-N 350.355 4.492 5 40 FIBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCCC3)cc2)c1 8378508 SYSZGBHKUUZZLA-UHFFFAOYSA-N 356.447 4.335 5 40 FIBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1 12629271 WNUYFLFNQAMHOL-HNNXBMFYSA-N 370.796 4.102 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708563 SCZKDMNEBAAVBK-CQSZACIVSA-N 350.374 4.462 5 40 FIBB Cc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 15965064 LMRMPZPVDYOHKP-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 44841375 LABJKJSNDKKNON-SFHVURJKSA-N 356.422 4.429 5 40 FIBB Cn1cnc([N+](=O)[O-])c1Nc1ccc(NCc2ccccc2)c(Cl)c1 60196889 CZWUGWCSNJLHJT-UHFFFAOYSA-N 357.801 4.337 5 40 FIBB Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(C)(C)O2 217895285 OBXHELXQTSVZEH-JGZYNSJSSA-N 366.417 4.335 5 40 FIBB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc([N+](=O)[O-])c1 4682097 LIXVZTZIXSMGFE-UHFFFAOYSA-N 360.826 4.336 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 4950741 XPFKCJFUFZUNPL-UHFFFAOYSA-N 370.796 4.303 5 40 FIBB COc1ccccc1-c1cc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)on1 22190133 MSZSHWAPQFHPBW-CQSZACIVSA-N 367.405 4.451 5 40 FIBB COc1cccc(Nc2nnc(SCc3cccc([N+](=O)[O-])c3)s2)c1 3439600 KRSHSVXOTAUVCR-UHFFFAOYSA-N 374.447 4.491 5 40 FIBB Cc1ccc(C)c(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)c1 4479500 SKUJAUXQUOVCAS-UHFFFAOYSA-N 372.768 4.167 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)cc1 6249109 ONEGQEOYWDSYJV-UHFFFAOYSA-N 371.462 4.316 5 40 FIBB O=C(NCCSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 7705801 MERMIUOBXLDBLD-UHFFFAOYSA-N 371.245 4.424 5 40 FIBB C[C@H]1CCCN(c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])C1 15833902 TWRJANHGUYARNA-LBPRGKRZSA-N 354.366 4.141 5 40 FIBB Cc1ccc(OCc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1C 19928032 LFWGERDDIIZGBS-UHFFFAOYSA-N 371.418 4.466 5 40 FIBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3571285 VCUWUCZIIDHRCE-UHFFFAOYSA-N 372.764 4.078 5 40 FIBB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)no2)cc1 61997149 PQTIDLZDYVAZLL-UHFFFAOYSA-N 367.361 4.289 5 40 FIBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 96997925 VRFUTMBPCFIBBJ-JTQLQIEISA-N 364.199 4.240 5 40 FIBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c1 408572117 QRBCIZDTLVPXTH-KRWDZBQOSA-N 372.425 4.133 5 40 FIBB CC(=O)c1cccc2c1N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 4782820 KDYQYDPJXAOOKI-UHFFFAOYSA-N 358.781 4.044 5 40 FIBB Cc1ccc(NC(=O)CSc2cccc3cccnc23)c([N+](=O)[O-])c1 6426469 KSGHKUFFOIWGNE-UHFFFAOYSA-N 353.403 4.182 5 40 FIBB CC(C)n1ccnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8720067 MATFDIYFVSPFCZ-JTQLQIEISA-N 368.846 4.145 5 40 FIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 15697176 OZYDPRITGRPIDT-AWEZNQCLSA-N 367.430 4.224 5 40 FIBB O=C(N[C@H]1CCCc2ccccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 7814219 MERJONBYXLCNMF-SFHVURJKSA-N 365.433 4.002 5 40 FIBB COc1cccc2sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc12 9154486 JCLHQNBXDHDKOE-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB Cc1ccc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 12774004 KDQWCVUDLFJICW-JHMRYYBSSA-N 371.433 4.234 5 40 FIBB Cc1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] 20110306 ZYCVRWGHTIJALQ-UHFFFAOYSA-N 367.449 4.387 5 40 FIBB CCOC(=O)Nc1ccc(Nc2nccc3c([N+](=O)[O-])cccc23)cc1 1642076246 ZPRJXWJXFNBQMI-UHFFFAOYSA-N 352.350 4.455 5 40 FIBB CCCCCC[C@H](C)N(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])cc1 1710532 UZDKXNDIXKKXEQ-HNNXBMFYSA-N 350.459 4.167 5 40 FIBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)Oc1nonc1-c1ccccc1 5354408 MHWSBFTWKNNKES-NSHDSACASA-N 374.784 4.178 5 40 FIBB O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCCc2c1cccc2[N+](=O)[O-] 513842350 GFIBBXDNDPBMJM-UHFFFAOYSA-N 369.808 4.251 5 40 FIBB CCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2449294 LIIHRIBJOQADND-UHFFFAOYSA-N 350.422 4.125 5 40 FIBB CCC[C@@H](C)Nc1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 40049862 ZUMZLFGGFIAQRX-CYBMUJFWSA-N 370.405 4.213 5 40 FIBB CC1CCN(Cc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 47402081 CVSBPNNTCDXNKP-UHFFFAOYSA-N 367.449 4.008 5 40 FIBB CCCCOC(=O)c1cc(Cl)c(N2CCC(C)CC2)c([N+](=O)[O-])c1 70462583 SVJMWJZVVBMLFT-UHFFFAOYSA-N 354.834 4.441 5 40 FIBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1 5053442 MDIJJOWHUYYZMN-UHFFFAOYSA-N 371.356 4.196 5 40 FIBB CCCCCCN(CCCCCC)C(=O)c1c([N+](=O)[O-])c(C)nn1C 6398151 BMMHJIXXMYKCRF-UHFFFAOYSA-N 352.479 4.240 5 40 FIBB C[C@@]12C[C@H](NC(=O)N1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O2 100851707 VBPVWFUKIAIHSU-WMLDXEAASA-N 359.769 4.018 5 40 FIBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OC 408617383 CABGVYKMEBAONO-UHFFFAOYSA-N 364.785 4.216 5 40 FIBB O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl 1455661 PDSANSVJZDQZMY-UHFFFAOYSA-N 353.161 4.113 5 40 FIBB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 5552315 RQBJVGCXBZGJMV-OQLLNIDSSA-N 358.375 4.219 5 40 FIBB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 16470972 CXAAZODIXKHUOG-LJQANCHMSA-N 354.406 4.361 5 40 FIBB Cc1cccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1[N+](=O)[O-] 57369148 BRBGLQAKPQCOSV-HNNXBMFYSA-N 370.405 4.103 5 40 FIBB Cc1sc2ncn3nc([C@H](C)Oc4ccccc4[N+](=O)[O-])nc3c2c1C 2790168 WXVMOTFLPIVZCI-JTQLQIEISA-N 369.406 4.004 5 40 FIBB CCCc1n[nH]c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 12982170 MWQSUOUOSDOKPS-UHFFFAOYSA-N 368.418 4.048 5 40 FIBB COc1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)cc1[N+](=O)[O-] 13012104 XRFQKMIALVHPBQ-UHFFFAOYSA-N 357.753 4.057 5 40 FIBB COc1cc(-c2cc3cc(Cl)ccc3oc2=O)c([N+](=O)[O-])cc1OC 4154998 HBSFZXJSGBHMTI-UHFFFAOYSA-N 361.737 4.039 5 40 FIBB COc1cccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 4409765 OEQITBYCTJZKSJ-UHFFFAOYSA-N 357.244 4.274 5 40 FIBB Cc1cc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)no1 7781673 JTYCMNOFNBYGOA-UHFFFAOYSA-N 362.725 4.162 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1Cl 41690080 WJVGHGOYDUSZCJ-INIZCTEOSA-N 355.285 4.010 5 40 FIBB C[C@H](Nc1ccc(C(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 52916828 BRCHPJKUYQEPJT-HNNXBMFYSA-N 368.437 4.179 5 40 FIBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccc(Cl)cc3)[nH]2)cc1 226299740 HCGWJEKAYWWDNB-UHFFFAOYSA-N 360.826 4.249 5 40 FIBB CCOC(=O)c1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1 841395 HULQBWKGXLNXBA-UHFFFAOYSA-N 365.389 4.241 5 40 FIBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2O)o1 846042 PKXGRGZTJKCYTL-UHFFFAOYSA-N 356.337 4.369 5 40 FIBB O=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccc(Br)cc12 6392602 SSILRYBCYPMYDE-UHFFFAOYSA-N 359.179 4.173 5 40 FIBB Cc1nn(CC(=O)Nc2ccccc2SC2CCCC2)c(C)c1[N+](=O)[O-] 25265314 UFNCFYNXNOWMTM-UHFFFAOYSA-N 374.466 4.082 5 40 FIBB O=C(N[C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 6346849 XPTVKAYXHGGUSA-IBGZPJMESA-N 365.433 4.002 5 40 FIBB O=[N+]([O-])c1cccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c1 6719192 XAGQTFBAYYCYRO-HXUWFJFHSA-N 355.438 4.376 5 40 FIBB biogenic CCCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccncc1 40122991 NNKDUBZXGKWAIN-UHFFFAOYSA-N 369.450 4.259 5 40 FIBB COc1ccc(C(=O)CC[N+](C)(C)Cc2cc(C)cc(C)c2)cc1OC 3039310 PCWFOURRKTYUKJ-UHFFFAOYSA-N 356.486 4.170 5 40 FIBB C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 12913335 ZMYDVBAHDTZPDW-DJTWPOEFSA-N 362.332 4.087 5 40 FIBB O=[N+]([O-])c1ccc(-c2n[nH]c(COc3cccc(Cl)c3Cl)n2)cc1 40169549 WWFYFZQCBBGFQG-UHFFFAOYSA-N 365.176 4.266 5 40 FIBB CC(C)c1ccc(CNC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1 72329375 NMWUNPIRZKMAOX-UHFFFAOYSA-N 364.405 4.038 5 40 FIBB COc1ccccc1Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 3494579 LIHROOOAVLDMML-UHFFFAOYSA-N 374.447 4.491 5 40 FIBB CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 12609530 HWZTXXNELITOEJ-UHFFFAOYSA-N 356.425 4.208 5 40 FIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC1C2CC3CC(C2)CC1C3 32118719 SITMWTBYKAFKMC-DUXPYHPUSA-N 360.841 4.202 5 40 FIBB O=[N+]([O-])c1cccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 102799536 WWMVFDUIGQLARG-OAHLLOKOSA-N 371.759 4.035 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1c(Cl)cccc1Cl 4997955 KDNXBODEOZGBMS-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB Cc1ccccc1Oc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 6218646 MDYYQJDQXVALIZ-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cn1C)oc1ccccc12 9726040 JPLXFVJCNFIPHC-UHFFFAOYSA-N 365.345 4.094 5 40 FIBB CC(C)CC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12549036 CTHAOCNTFCJCGV-MRXNPFEDSA-N 350.462 4.096 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccccc2)o1 14207168 FKLOOPXLKSDLRK-UHFFFAOYSA-N 351.362 4.130 5 40 FIBB O=C(Nc1cccc(C(F)(F)F)c1)n1ncc2cc([N+](=O)[O-])ccc21 16399409 ZOAYZVQIBHXJEF-UHFFFAOYSA-N 350.256 4.044 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1NC1CCCCC1 20898047 SEBRRMVZKXTRGL-UHFFFAOYSA-N 365.393 4.451 5 40 FIBB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 22744674 ABKXKGLPKSPUJA-JTQLQIEISA-N 354.284 4.020 5 40 FIBB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 85346883 CTMLZIUWQYXVPM-VMPITWQZSA-N 366.167 4.194 5 40 FIBB CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC 3431030 WVHRXMVVRALZKM-AWEZNQCLSA-N 372.421 4.192 5 40 FIBB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc([N+](=O)[O-])c1 7792976 ZOVOIYKOSVGKBB-UHFFFAOYSA-N 365.414 4.459 5 40 FIBB COc1ccc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc1OC 96116306 IJQWIRUKZPULBM-UHFFFAOYSA-N 361.357 4.247 5 40 FIBB biogenic Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 325732012 DWUXXXXPOPNVLK-UHFFFAOYSA-N 370.148 4.371 5 40 FIBB Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nc2ncccc2o1 841515 BXQGKVSKKPMSSY-UHFFFAOYSA-N 374.356 4.359 5 40 FIBB COc1cccc(Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)c1 3439564 NBKULRYFFFUHBF-UHFFFAOYSA-N 374.447 4.491 5 40 FIBB Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 6939684 JANVFKWLRMJDQD-UHFFFAOYSA-N 364.405 4.017 5 40 FIBB COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc12 9504111 RTTWMYUHSOHDIU-UHFFFAOYSA-N 363.782 4.119 5 40 FIBB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 63848826 QSEOCPIKIQEVJF-UHFFFAOYSA-N 368.414 4.087 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1snnc1-c1ccc(Cl)cc1 225770785 APENBWQONBDRGS-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB CCCCc1nc2sc3c(ncn4c(SC)nnc34)c2c2c1CCC2 2225147 JMBICOLUWIOIBS-UHFFFAOYSA-N 369.519 4.440 5 40 FIBB O=C(Nc1cccc(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12510882 DSAGRXWDOHEAEO-UHFFFAOYSA-N 359.813 4.103 5 40 FIBB COc1ccc(-c2nccc3c2[nH]c2c([N+](=O)[O-])cccc23)cc1[N+](=O)[O-] 96319456 WVLWHZHXOVJMMV-UHFFFAOYSA-N 364.317 4.208 5 40 FIBB CC(C)Oc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 408575851 LHBJMIPGXPINLS-UHFFFAOYSA-N 360.435 4.254 5 40 FIBB COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 3187605 YJGRFJQXVVTFEQ-UHFFFAOYSA-N 361.404 4.041 5 40 FIBB NC(=O)c1ccc(Sc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 8120136 DOKWAUBLHRAYFJ-UHFFFAOYSA-N 365.823 4.108 5 40 FIBB C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCc2ccccc21 8774719 XTAZATGLWZRUOI-CYBMUJFWSA-N 350.378 4.159 5 40 FIBB Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(-n2nc3ccccc3n2)c1 18197490 GDEVECRWHOZXAX-UHFFFAOYSA-N 360.373 4.216 5 40 FIBB C[C@H](Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 52937896 XHFIBDGXWNXPJZ-GJZGRUSLSA-N 368.437 4.178 5 40 FIBB CCN(CC)c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-] 72229344 GVIHGNSYHZARKE-UHFFFAOYSA-N 365.792 4.486 5 40 FIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCC[C@H](C(F)(F)F)C2)c1 3343081 TWCNEVUBFXELAK-QMMMGPOBSA-N 367.780 4.219 5 40 FIBB COC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 4747416 JTWNIUBKVLUFCX-FQEVSTJZSA-N 360.365 4.239 5 40 FIBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1CC12CC3CC(CC(C3)C1)C2 5008361 IPDDNNZDDIJKCG-KSVHXXFXSA-N 372.490 4.385 5 40 FIBB CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 40128752 SIPFHWHGBSDSBA-UHFFFAOYSA-N 370.390 4.053 5 40 FIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21 2246762 WRXOGGXYNAFWQD-UHFFFAOYSA-N 363.465 4.059 5 40 FIBB COc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(N(C)c2ccccc2)n1 5360812 GTRHQDNZZDVQDQ-UHFFFAOYSA-N 365.393 4.213 5 40 FIBB CSc1nsc(SC)c1NC(=O)Nc1ccccc1[N+](=O)[O-] 5721330 PVBGHPANPFKMNL-UHFFFAOYSA-N 356.454 4.139 5 40 FIBB Cc1cc(C)cc(-n2ccnc(SCc3cccc([N+](=O)[O-])c3)c2=O)c1 12415683 YBAJSRBZZZCGDM-UHFFFAOYSA-N 367.430 4.050 5 40 FIBB Cc1cc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)ccc1[N+](=O)[O-] 20140917 AJUMWAUKUYKMHF-UHFFFAOYSA-N 369.160 4.161 5 40 FIBB O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 9108745 DJKDMCBKFXVRDQ-CQSZACIVSA-N 368.780 4.112 5 40 FIBB O=[N+]([O-])c1ccccc1Oc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 12389696 RLNLCRGBYUHXAK-UHFFFAOYSA-N 367.752 4.145 5 40 FIBB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1 13647534 QUJSDRRCHARFRX-CQSZACIVSA-N 360.797 4.280 5 40 FIBB Cc1cccc(CN(Cc2ccco2)C(=O)Cc2ccccc2[N+](=O)[O-])c1 40070265 ZEGFNILTNYAANP-UHFFFAOYSA-N 364.401 4.268 5 40 FIBB Cc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] 218130866 ZMMZRJIBCSIRSC-UHFFFAOYSA-N 360.369 4.387 5 40 FIBB O=C(Nc1nc2ccc(F)cc2s1)c1cc([N+](=O)[O-])ccc1Cl 5559124 OVCTWWKLEQADQF-UHFFFAOYSA-N 351.746 4.249 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)Cc1ccco1 8915730 VUQNGFKRIVAOMC-UHFFFAOYSA-N 354.337 4.170 5 40 FIBB O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3)cs2)nc1NC1CC1 26694518 PWIMAEFHFLXIMO-UHFFFAOYSA-N 371.447 4.234 5 40 FIBB COc1ccc(Cl)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O 2716184 BJPWLKYUIRIWRI-UHFFFAOYSA-N 363.800 4.166 5 40 FIBB Cc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 5559386 CSTHWXZVYCPKNT-LLVKDONJSA-N 363.211 4.157 5 40 FIBB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc([N+](=O)[O-])c1 4994503 JBDCAFMPOLIGIB-UHFFFAOYSA-N 360.329 4.050 5 40 FIBB COc1nc2ccc(C)cc2cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 5557477 NYWOSEFCSGKLCE-UHFFFAOYSA-N 362.345 4.177 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708564 SCZKDMNEBAAVBK-AWEZNQCLSA-N 350.374 4.462 5 40 FIBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCC(C)C 224454710 OIVTXNBXLMOWBL-UHFFFAOYSA-N 372.421 4.337 5 40 FIBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 409195401 IKBGCTMXFVGYPI-VXPUYCOJSA-N 367.430 4.020 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 5012608 GFZKDGOGOSTNQT-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB Cc1cccc(C)c1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC1 57292230 KQOQYXRJXSPTCI-HXUWFJFHSA-N 367.449 4.377 5 40 FIBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 6243487 OKNGDPMZDQTMGO-LBPRGKRZSA-N 357.435 4.235 5 40 FIBB COc1ccc(Cl)cc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 408726981 ODBNZACKXPFIFO-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB CCCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 1812012 JHYHCAJBMDNIDM-UHFFFAOYSA-N 358.379 4.414 5 40 FIBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 3465596 UOJBDHAWVLTVHB-UHFFFAOYSA-N 361.353 4.302 5 40 FIBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc([N+](=O)[O-])o1 4134665 AZXNYCRLDBPNCS-UHFFFAOYSA-N 372.387 4.173 5 40 FIBB COc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 32753978 VVOHEFHRQUMPGR-AWEZNQCLSA-N 354.406 4.044 5 40 FIBB O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(C3CC3)nc2c1 48288384 ZHEVNGCFJINRLR-UHFFFAOYSA-N 367.361 4.021 5 40 FIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(C)c1 225876803 LSRMPFZEWCXQMV-MRXNPFEDSA-N 362.813 4.446 5 40 FIBB C[C@H](N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)C 12538347 XXJCAGSMNUHSSX-HNNXBMFYSA-N 350.462 4.048 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1cccs1 13986859 KUHLHXYYSIGWPO-UHFFFAOYSA-N 354.387 4.341 5 40 FIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4575986 SHNYEQQLGGRSGF-UHFFFAOYSA-N 371.136 4.454 5 40 FIBB C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 47884535 CJXSOOHNRCPQCO-SECBINFHSA-N 352.799 4.073 5 40 FIBB COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C)cc1 3554297 YAXSPJJWWVECBO-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC 4070586 GRLZNSGWBRDBLS-DHZHZOJOSA-N 370.405 4.353 5 40 FIBB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 44886255 MHBCDMNOPOXMIN-SFHVURJKSA-N 356.422 4.429 5 40 FIBB CC(C)(C)c1nc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)no1 48312080 DJVDJLWICTXBRS-UHFFFAOYSA-N 366.377 4.195 5 40 FIBB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc([N+](=O)[O-])cc1 408977887 YTCPEOPMAXIVLT-CAOOACKPSA-N 352.390 4.107 5 40 FIBB Cc1ccc(CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 4899384 DJLFOEZIFPEVDM-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB Cc1cc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)ccc1[N+](=O)[O-] 40169723 JUIJQIJPOWZFBA-UHFFFAOYSA-N 360.373 4.421 5 40 FIBB Cc1cc(Cl)ccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 408726261 KPNWPOYUZMYBJZ-UHFFFAOYSA-N 350.827 4.429 5 40 FIBB O=C(Nc1ccc(Br)cc1)c1coc2ccc([N+](=O)[O-])cc12 408965451 HOOPDQOTBCWNQB-UHFFFAOYSA-N 361.151 4.356 5 40 FIBB CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 2080979 UPAHRNVLVBEKRK-UHFFFAOYSA-N 362.769 4.067 5 40 FIBB CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5597034 AZJOPZDXFYTHCC-UHFFFAOYSA-N 356.378 4.112 5 40 FIBB C[C@@H](Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 9095378 FRROLFMDMXWEEW-LBPRGKRZSA-N 368.418 4.045 5 40 FIBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1c(F)cccc1Cl)C1CC1 12813454 UFUJPQPVIZZPSE-UHFFFAOYSA-N 354.790 4.254 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1NC1CCCC1 20897880 JAIKDZRHQNDHFF-UHFFFAOYSA-N 351.366 4.061 5 40 FIBB C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 31663455 ZXERWPOJAXSMFJ-SNVBAGLBSA-N 369.299 4.376 5 40 FIBB Cc1cc(N[C@H]2CCO[C@@H](CC(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 95990656 RDQBILJEWWVROC-WMZOPIPTSA-N 370.453 4.366 5 40 FIBB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc([N+](=O)[O-])cc1 3893795 GUTFZBZAZIJPMP-UHFFFAOYSA-N 358.357 4.162 5 40 FIBB C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])Oc1nonc1-c1ccccc1 5172282 VOKWSAJLNVXPEC-LLVKDONJSA-N 374.784 4.178 5 40 FIBB Cc1c(NC(=O)c2cccc(OCc3cscn3)c2)cccc1[N+](=O)[O-] 12755840 RLFNBXLHRDAZNI-UHFFFAOYSA-N 369.402 4.191 5 40 FIBB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1[N+](=O)[O-] 12916027 DXOPTOCAWOEZTD-UHFFFAOYSA-N 371.374 4.062 5 40 FIBB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2ccc([N+](=O)[O-])cc21 40087720 YGHHAHGEORWGGE-UHFFFAOYSA-N 369.764 4.106 5 40 FIBB COC(=O)c1ccc([C@@H](C)Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 58046264 BPWZJVYTGBBFPQ-MRVPVSSYSA-N 364.404 4.437 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1c2ccccc2C[C@@H]1O 58367381 KBZAUUCMICLRAS-LSDHHAIUSA-N 372.730 4.337 5 40 FIBB O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(NCC3CCCCC3)n2)c1 199800962 YQUQAXACDDCCEU-UHFFFAOYSA-N 362.821 4.169 5 40 FIBB CCn1c2ccc([N+](=O)[O-])cc2c2c([N+](=O)[O-])c(-n3cccc3)ccc21 1579277 APOFNLZDMOMXIO-UHFFFAOYSA-N 350.334 4.422 5 40 FIBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 2742638 AQJODQHKGRRENG-UHFFFAOYSA-N 369.255 4.083 5 40 FIBB Cc1cccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1 4044722 ZHJQTBYCGHDLFK-UHFFFAOYSA-N 355.438 4.384 5 40 FIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1c[nH]c2ccccc12 15178833 WJBYQDCXNLDJFO-AWEZNQCLSA-N 351.406 4.228 5 40 FIBB c1ccc(-c2nc3sc4c(ncn5ncnc45)c3c3c2CCCC3)cc1 1425813 CYGFFLIOZCNJAC-UHFFFAOYSA-N 357.442 4.433 5 40 FIBB O=C(Nc1ccccc1N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] 32801603 PTBDBXLAJUHHBW-UHFFFAOYSA-N 373.412 4.410 5 40 FIBB O=c1oc2ccccc2cc1-c1cc(O)c2c(=O)oc3ccccc3c2c1 2690022 IKDPXRKCPNRPQY-UHFFFAOYSA-N 356.333 4.425 5 40 FIBB O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc12 6392202 IDDLDNNNTOJMAN-UHFFFAOYSA-N 359.179 4.173 5 40 FIBB CCCCn1c(C2CCCCC2)nc2c(c(=O)c3ccccc3n2C)c1=O 6814703 VAMTUYGSAIIVKJ-UHFFFAOYSA-N 365.477 4.096 5 40 FIBB CSc1nc2nc(-c3ccccc3)cc(-c3cccc([N+](=O)[O-])c3)n2n1 9287685 CMYXHISQQJEKNS-UHFFFAOYSA-N 363.402 4.088 5 40 FIBB CN(C)[S@](=O)(=Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 13739581 HFMVLIZNLFFVTM-RUZDIDTESA-N 373.356 4.249 5 40 FIBB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc([N+](=O)[O-])ccc1Cl 5441618 QQUWMUORRDRGIN-UHFFFAOYSA-N 373.796 4.017 5 40 FIBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1cccnc1)CO2 57110776 HQTQODTYNXAJFT-UHFFFAOYSA-N 358.397 4.002 5 40 FIBB Cc1ccc(Nc2nc(-c3ccccc3)sc(=O)c2[N+](=O)[O-])cc1C 408730812 HYRYERWSUWLAGA-UHFFFAOYSA-N 353.403 4.439 5 40 FIBB COc1ccc(C(C)(C)C)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40074800 GVUKBWDHXHKZNU-UHFFFAOYSA-N 368.393 4.030 5 40 FIBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 888014 PEKWJGUQPDVFNH-UHFFFAOYSA-N 354.387 4.063 5 40 FIBB Cc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] 7319260 MQCWTOWPJBXAOT-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 10797666 LVJGSWTUHHNVOQ-AWEZNQCLSA-N 350.374 4.004 5 40 FIBB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12555339 GGYGFMQBCASODX-INIZCTEOSA-N 367.449 4.031 5 40 FIBB CCOc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC 13668832 BANMTGCSBDVQBO-AWEZNQCLSA-N 372.421 4.192 5 40 FIBB O=C1OC(c2ccccc2Cl)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 13785396 MLGPFLDVYKMALT-FEHKTJPBSA-N 354.749 4.149 5 40 FIBB O=C(COc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])c(F)cc1F 24865962 FFQPOGCSXMEBCH-UHFFFAOYSA-N 358.300 4.044 5 40 FIBB Cc1c(CSc2nc3ccccc3c(=O)n2C(C)C)cccc1[N+](=O)[O-] 40127316 OQUDYAHATFFRTG-UHFFFAOYSA-N 369.446 4.486 5 40 FIBB O=[N+]([O-])c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 57858189 DJRQTBRIBQTQGG-UHFFFAOYSA-N 371.400 4.455 5 40 FIBB C[N+]1(C)CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 1705063 VRUNULWSZZYRAY-UHFFFAOYSA-N 354.543 4.071 5 40 FIBB CCCCOc1ccc(CSc2[nH]c(C)nc2[N+](=O)[O-])cc1[N+](=O)[O-] 2238140 BOFKDFKBPRKPOC-UHFFFAOYSA-N 366.399 4.006 5 40 FIBB CCCCn1c(=O)nc2n(-c3ccc(CC)cc3)c3ccccc3cc-2c1=O 2262889 DYVBMQMOPFVJJY-UHFFFAOYSA-N 373.456 4.015 5 40 FIBB CC(C)n1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 13956312 ZUHCSTKYKJEPSY-UHFFFAOYSA-N 372.406 4.002 5 40 FIBB CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 32962630 AOHNRCVOZJTRPE-UHFFFAOYSA-N 353.422 4.400 5 40 FIBB COc1ccc(Nc2ccc(Cl)cc2[N+](=O)[O-])cc1N1CCCC1=O 58175743 BDDBGAJRGWAMNM-UHFFFAOYSA-N 361.785 4.127 5 40 FIBB CCOc1ccc(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 4031527 GVRXKWFUAYHCOO-UHFFFAOYSA-N 365.183 4.008 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 4474645 SROCKNJWDIXORZ-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCCC3)cc1OC 36784948 WUPHWIRRRYALQA-UHFFFAOYSA-N 370.405 4.133 5 40 FIBB Cc1c(CN2CCC[C@H](c3nc4ccccc4o3)C2)cccc1[N+](=O)[O-] 48374894 HDFFOWLVDBVSTC-INIZCTEOSA-N 351.406 4.424 5 40 FIBB COc1ccc2oc(Nc3nc4c(C)cc([N+](=O)[O-])cc4s3)nc2c1 57352715 CFBSXOLSUIDLLF-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB CCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225860018 MLCYNUYCPUXHEX-UHFFFAOYSA-N 369.421 4.147 5 40 FIBB CCCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408620791 MGAXVCIGRXPJKB-UHFFFAOYSA-N 358.394 4.343 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccs2)n1 13002190 SESXDKWBWWORFK-UHFFFAOYSA-N 361.404 4.041 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1 222665859 UMTXORIPYMBCCP-UHFFFAOYSA-N 374.809 4.327 5 40 FIBB Cc1ccc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 8180642 KBJXUUKJJJFVRG-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccco3)C3CCCC3)n2)cc1 53142074 XRTLPJHSHOBJIN-UHFFFAOYSA-N 368.393 4.183 5 40 FIBB CNC(=O)c1ccc(N[C@@H](Cc2ccccc2)C(C)(C)C)c([N+](=O)[O-])c1 72286535 CBQAVDLLUUHYKU-SFHVURJKSA-N 355.438 4.024 5 40 FIBB O=C(Nc1ccccc1OC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F 2380602 HLUFLZRPFOCYKH-UHFFFAOYSA-N 362.210 4.024 5 40 FIBB O=C(c1ccccc1)[C@H]1CCC[C@@H](Sc2ccccc2[N+](=O)[O-])C1=O 3227032 GTDHNSRJYJDPCM-RHSMWYFYSA-N 355.415 4.308 5 40 FIBB CCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 5671747 DZMYIGXYWGOOFZ-GDNBJRDFSA-N 358.375 4.301 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1c(F)cccc1Cl)C1CC1 12758774 WWZGWJCITGIKKC-UHFFFAOYSA-N 362.788 4.121 5 40 FIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1occc1COc1ccccc1 12906038 GLNMBCFDSIVTGM-UHFFFAOYSA-N 356.309 4.158 5 40 FIBB CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] 68711611 HGMRZGLYVZNEMA-HIFRSBDPSA-N 364.442 4.091 5 40 FIBB CC(=O)c1c(O)n(-c2ccccc2)c2nc(C)[n+]3c4ccccc4sc3c12 3227184 PTTHZHPYVZTAKU-UHFFFAOYSA-O 374.445 4.196 5 40 FIBB O=C(c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCCC1 24839006 ZBIGWSDRZHHSHG-UHFFFAOYSA-N 360.797 4.063 5 40 FIBB COc1ccc2oc(Nc3nc4c(OC)cc([N+](=O)[O-])cc4s3)nc2c1 57352692 DIEPHIQEGINQDB-UHFFFAOYSA-N 372.362 4.107 5 40 FIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2NN=C(c3ccccc3)S2)cc1 59408980 OEQJFDWYODBLTD-SFHVURJKSA-N 350.403 4.082 5 40 FIBB O=C(NCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408905849 ABOAQSROQXSNIA-RCCKNPSSSA-N 358.397 4.452 5 40 FIBB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc([N+](=O)[O-])cc1 1505493 XHBJILCIRGVBEO-UHFFFAOYSA-N 361.329 4.249 5 40 FIBB CSc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 5299229 RYPMWIFCJIADAD-UHFFFAOYSA-N 351.434 4.240 5 40 FIBB O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1NCc1ccccc1 8587062 VNWQHPQQFNZWRD-UHFFFAOYSA-N 373.372 4.319 5 40 FIBB O=[N+]([O-])c1c(NCc2ccccc2)cc(NC2CCCCC2)c2nonc12 4844315 NZUBIEFKKSPSCQ-UHFFFAOYSA-N 367.409 4.488 5 40 FIBB Cc1ccc(C(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 26644491 OCVUFNYILJFTLH-UHFFFAOYSA-N 352.434 4.307 5 40 FIBB O=[N+]([O-])c1ccccc1[C@H]1SCC(O)=Nc2c1cnn2-c1ccccc1 44902720 MCZZQENSKUCCHN-QGZVFWFLSA-N 366.402 4.205 5 40 FIBB COc1cc(NC(=O)c2cc3ccccc3cc2O)c(Cl)cc1[N+](=O)[O-] 5320472 TXRSGXWNVZIUNU-UHFFFAOYSA-N 372.764 4.368 5 40 FIBB CC(C)CC(CC(C)C)NC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 5962528 HHAOCCQXJYDURV-OAHLLOKOSA-N 350.459 4.191 5 40 FIBB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 22525536 UXSFLNBKEPKTHN-INIZCTEOSA-N 358.394 4.016 5 40 FIBB Cc1sc2nc(SCc3csc([N+](=O)[O-])c3)nc(N)c2c1C 47172254 LZPWAFGHHSEAKM-UHFFFAOYSA-N 352.466 4.152 5 40 FIBB C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 57347275 IDIRTSFNUQERHA-ZDUSSCGKSA-N 356.813 4.285 5 40 FIBB CC(C)c1ccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 217892693 OBADGZXXZDGVMK-JLHYYAGUSA-N 352.434 4.480 5 40 FIBB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])s1 4033909 MRMSCLWRFKJFCZ-UHFFFAOYSA-N 364.386 4.452 5 40 FIBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C2CC2)cc1 13010447 DTKHALMNZGDQSC-OAHLLOKOSA-N 368.433 4.353 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc2c3c(cccc13)CC2 28652161 AJZUQTHBEMHSCV-UHFFFAOYSA-N 361.401 4.206 5 40 FIBB CCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC 408625660 XTIOOMLBYBLKAT-UHFFFAOYSA-N 358.394 4.343 5 40 FIBB COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCCC[C@H]23)c1OC 409189074 IDNSHHDECISOSI-UPRAQXHNSA-N 370.405 4.247 5 40 FIBB CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCC 936406 VOVBAWKVLKQTOK-DHZHZOJOSA-N 370.405 4.353 5 40 FIBB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 4696146 YRKNOVFVNYFXKK-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB O=[N+]([O-])c1ccc(N2CCN(c3ccccc3Cl)CC2)c2ccncc12 12557528 FEKCODUUTHSSSY-UHFFFAOYSA-N 368.824 4.123 5 40 FIBB O=C(Nc1ccc(OC(F)F)c2ncccc12)c1csc([N+](=O)[O-])c1 65859750 TVYZDESGHDMXQS-UHFFFAOYSA-N 365.317 4.058 5 40 FIBB C[N+](C)(CCCC(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)O1 68605954 KPJINYZCILKKPP-OAQYLSRUSA-N 352.498 4.381 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2ccc(Cl)cc12 2441199 YLUPJHFZFPREMQ-FPYGCLRLSA-N 369.808 4.102 5 40 FIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1n[nH]c2ccccc12 4823350 WPLLQGWAEYXGAK-UHFFFAOYSA-N 370.364 4.180 5 40 FIBB Cn1c(O)c([N+](=O)[O-])/c(=N/c2cccc(C(F)(F)F)c2)c2ccccc21 102858286 RXSNBCJJCWGQTM-KGENOOAVSA-N 363.295 4.043 5 40 FIBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC(c1ccccc1)c1ccccc1 2746995 AACAIUDHVXAFTO-UHFFFAOYSA-N 374.440 4.476 5 40 FIBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccnc5)nc34)c12 13644207 SSQZQXWXBFTRMI-UHFFFAOYSA-N 368.372 4.195 5 40 FIBB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 13648897 KTXKXDBJEDZWKP-UHFFFAOYSA-N 353.205 4.264 5 40 FIBB CC(C)(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 40169567 WGGITAHWXFKDLN-UHFFFAOYSA-N 352.394 4.256 5 40 FIBB CCC[C@H](c1cc(OC)ccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 1083958 RQQXSAXYKZZOEL-GOSISDBHSA-N 363.435 4.227 5 40 FIBB Cc1c(NC(=O)c2ccc(CN3CCCCC3)cc2)cccc1[N+](=O)[O-] 10364975 VANRYTGXOCKNHP-UHFFFAOYSA-N 353.422 4.141 5 40 FIBB Cc1c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cccc1[N+](=O)[O-] 19164887 IERCUSPOUMKQBW-UHFFFAOYSA-N 362.389 4.219 5 40 FIBB CC(C)(C)c1nc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2o1 33215381 CHPVLJGGLQXHPN-UHFFFAOYSA-N 353.378 4.215 5 40 FIBB CN(C)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Br 216878043 VLVKXUIHQMAOCI-UHFFFAOYSA-N 362.183 4.232 5 40 FIBB Cc1cc(C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)ccc1[N+](=O)[O-] 3332664 UXRQFUWYOIWTDM-UHFFFAOYSA-N 367.308 4.183 5 40 FIBB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 6511818 OLTYXLQOKSMKBE-UHFFFAOYSA-N 370.217 4.028 5 40 FIBB CSc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 18056535 SJCAVMSGVYWXMF-UHFFFAOYSA-N 353.372 4.338 5 40 FIBB O=C(Nc1ccccc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 97165892 HKMWPPJFHMZTLB-UHFFFAOYSA-N 350.324 4.212 5 40 FIBB CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 6049634 WEHPNBRMNUBUOV-UHFFFAOYSA-N 369.446 4.253 5 40 FIBB Cc1ccc(C)c(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1 5538035 CRRKMJOHAIWHLT-LZYBPNLTSA-N 356.765 4.210 5 40 FIBB CCO[P@]1(=O)C=C(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 5840737 ZXXJUBCXDGHKFW-HSZRJFAPSA-N 374.311 4.475 5 40 FIBB CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccccc2)n1 3356539 RPCDNKPWABIKTF-UHFFFAOYSA-N 370.434 4.392 5 40 FIBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc12 4138457 UGKSQHJXVGKZMZ-UHFFFAOYSA-N 365.418 4.164 5 40 FIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1Cl 15538736 PJHIBGHWZUFWCN-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 1165282364 LJDRLPZKGSNNEI-UHFFFAOYSA-N 356.161 4.267 5 40 FIBB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21125705 VWQOZAHDLUPRCE-SECBINFHSA-N 355.177 4.308 5 40 FIBB Cc1ccc(CN2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 39757837 PTEVHBWKPQGDRP-UHFFFAOYSA-N 367.449 4.062 5 40 FIBB Cc1cc(N[C@H]2CCO[C@H](CC(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 95990654 RDQBILJEWWVROC-FUHWJXTLSA-N 370.453 4.366 5 40 FIBB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 979414 FFMVVBOWSJFQHE-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB COc1ccc2c(=O)c3c(nc(CC(C)C)n4c5ccccc5nc34)oc2c1 5208399 ZAEZDOZRJMYJRX-UHFFFAOYSA-N 373.412 4.349 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2cccnc2c2ncccc12 6494521 CIFWPKSXVVGQTD-UHFFFAOYSA-N 359.345 4.335 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38853868 QGRJIPUHLXUITJ-OAHLLOKOSA-N 373.840 4.099 5 40 FIBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1 408773365 KDMXXFGLHYERKK-XGHXRCDJSA-N 369.446 4.065 5 40 FIBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 1671052 GRXWAVJOPLXVHU-UHFFFAOYSA-N 357.105 4.029 5 40 FIBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1ccc(Br)s1 29750828 BICCFEQFOJHODR-UHFFFAOYSA-N 370.224 4.297 5 40 FIBB C[C@H]1CCC[C@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1 1653269 WUXYHGRAKMMVOK-PMACEKPBSA-O 365.541 4.256 5 40 FIBB Cc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 5867627 QHTOSGBWADIUJW-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB O=c1ccc(Br)cn1Cc1nc2ccccc2c2ccccc12 7785760 WFKGZZZXMFYFBO-UHFFFAOYSA-N 365.230 4.361 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868412 RTAIGXVNLVOMJP-GOSISDBHSA-N 374.824 4.070 5 40 FIBB Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c(C)n1C1CC1 32777354 NLXYKKKZPVZMJW-UHFFFAOYSA-N 371.418 4.464 5 40 FIBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4ccc(C)cc4o3)sc2c1 57352593 WNBIUKSHVFIYMU-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB COc1ccc(C)cc1C1(CNc2ccccc2[N+](=O)[O-])CCOCC1 60031646 FMDXSMCJVFVCCW-UHFFFAOYSA-N 356.422 4.072 5 40 FIBB O=C1OC(c2ccccc2Cl)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 725923 QTBLOYOSKLSBCT-MSLGXNKOSA-N 354.749 4.149 5 40 FIBB Cc1cc2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2c2ccccc12 3370978 MGLMAXMFRHDCJS-UHFFFAOYSA-N 364.386 4.063 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 3514999 YPTLSSPLHUGJGF-SNVBAGLBSA-N 366.826 4.376 5 40 FIBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 36394565 JRZPIWIWJPMOSL-SNVBAGLBSA-N 369.299 4.376 5 40 FIBB CCOc1ccc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1469664 YMLIYQCDEKCXHQ-WJDWOHSUSA-N 370.386 4.234 5 40 FIBB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1cccc([N+](=O)[O-])c1 4616759 FKPAAMOFUVNXDZ-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB COc1ccc([C@@H](/C=C2\N(C)c3ccccc3C2(C)C)C[N+](=O)[O-])cc1 5128679 SSDVOIWYDLVABZ-SMEDBKPVSA-N 352.434 4.367 5 40 FIBB Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)s2)cs1 12396587 MEKTZPCHIWSJPY-UHFFFAOYSA-N 373.459 4.061 5 40 FIBB CSc1ccc([C@@H](C[N+](=O)[O-])c2c(C)nn(-c3ccccc3)c2O)cc1 100848926 NIBQUIMASWVLFZ-QGZVFWFLSA-N 369.446 4.017 5 40 FIBB O=c1c([N+](=O)[O-])c(NCc2ccco2)c2ccccc2n1-c1ccccc1 9328440 KMYNMUOPJDHTMQ-UHFFFAOYSA-N 361.357 4.104 5 40 FIBB O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccs1)Cc1cccs1 24463743 OWLSUSLRVWWBPT-UHFFFAOYSA-N 372.471 4.489 5 40 FIBB CN(C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 36226943 GPVMVWQRLJNYOU-CYBMUJFWSA-N 359.373 4.390 5 40 FIBB O[C@H](COC12CC3CC(CC(C3)C1)C2)C[N+]1(Cc2ccccc2)CCCC1 36640196 BZEHIMUZYVYPLC-NEUFXUDDSA-N 370.557 4.144 5 40 FIBB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777954 YTAQRASCMKEOEH-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB CC(=O)c1ccc(Sc2nnc(NC(C)(C)C)s2)c([N+](=O)[O-])c1 9683567 FJJKHGUGUTYARH-UHFFFAOYSA-N 352.441 4.011 5 40 FIBB Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])s2)cs1 10105273 SWVBUEVHVXMNEM-UHFFFAOYSA-N 373.459 4.327 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 97163170 ZMSMIFBDSWQYGQ-LLVKDONJSA-N 365.336 4.387 5 40 FIBB CCN(CC)c1cc(Nc2ccc(C)cc2C)c([N+](=O)[O-])c2nonc12 4116736 UDFBZIZKZNXIBA-UHFFFAOYSA-N 355.398 4.338 5 40 FIBB COCc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 5254304 FQOZACKXBIESJC-UHFFFAOYSA-N 374.392 4.450 5 40 FIBB O=C(Nc1cccc(O)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6882676 IJRBBSFLMPNASP-UHFFFAOYSA-N 358.737 4.466 5 40 FIBB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 37084898 HUCAHLZSPVWYQZ-UHFFFAOYSA-N 367.858 4.038 5 40 FIBB C[C@@H](c1ccccc1Cl)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 40149516 KBGCMBWSDQCLJS-ZDUSSCGKSA-N 373.840 4.412 5 40 FIBB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1 5127490 YNANENPZSWKUEF-UHFFFAOYSA-N 360.329 4.050 5 40 FIBB Cc1cc(C)c2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc(=O)c2c1 5338790 GFDWOYXJGHTBOB-UHFFFAOYSA-N 372.764 4.224 5 40 FIBB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccc([N+](=O)[O-])o1 32903938 UXCOGUDECLIVCZ-MXTJNLOCSA-N 374.396 4.215 5 40 FIBB Cc1nc2sc3c(c2c2nc(-c4cccc([N+](=O)[O-])c4)nn12)CCCC3 2240926 WLWZUMQYHFDVPV-UHFFFAOYSA-N 365.418 4.101 5 40 FIBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1C 2619441 YJWBCTIBNWYLPT-UHFFFAOYSA-N 361.448 4.135 5 40 FIBB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 7814220 MERJONBYXLCNMF-GOSISDBHSA-N 365.433 4.002 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C)c(C)c3)nc12 10010537 XQEXSAMQSQQQSO-UHFFFAOYSA-N 357.391 4.082 5 40 FIBB c1csc(-c2nnc3c4nnc(-c5cccs5)n4c4ccccc4n23)c1 13734733 KPFJTOMQILKYJG-UHFFFAOYSA-N 374.454 4.382 5 40 FIBB Cc1cc(C)cc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)c1 40127674 LZOCTJSVKCCCCP-UHFFFAOYSA-N 371.418 4.433 5 40 FIBB O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 84372400 SYAYXLAIEHWZOK-QGZVFWFLSA-N 359.426 4.138 5 40 FIBB CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC 3431027 WVHRXMVVRALZKM-CQSZACIVSA-N 372.421 4.192 5 40 FIBB Cc1cc2cc(CNc3ccc([N+](=O)[O-])cc3C)c(=O)[nH]c2cc1Cl 4126356 WUEOCGUDPNTZQL-UHFFFAOYSA-N 357.797 4.319 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CCCCC2)c1 32643863 YMRLKRNZZQNGLY-UHFFFAOYSA-N 367.405 4.366 5 40 FIBB O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2c2cccnc12 32925982 FXOFVWPRCWLAFQ-UHFFFAOYSA-N 356.381 4.047 5 40 FIBB CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 217894506 SMXKOMYGTMSMAX-SDNWHVSQSA-N 368.433 4.146 5 40 FIBB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 7974826 OGFKLNNQYIJZSM-RMKNXTFCSA-N 350.827 4.372 5 40 FIBB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 8782397 LNGRJIOFOIZMLZ-UHFFFAOYSA-N 373.384 4.361 5 40 FIBB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 12944752 PJEIMBUKMQTFRJ-UHFFFAOYSA-N 363.395 4.100 5 40 FIBB COc1ccccc1-c1cc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)on1 22190131 MSZSHWAPQFHPBW-AWEZNQCLSA-N 367.405 4.451 5 40 FIBB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1[N+](=O)[O-] 833999 IBFJUBOHLRALOC-UHFFFAOYSA-N 355.575 4.263 5 40 FIBB O=[N+]([O-])c1cc(Nc2ncnc3ccc(Br)cc23)ccc1F 2549277 RFFZAGFTENCCSB-UHFFFAOYSA-N 363.146 4.183 5 40 FIBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 12932159 BPRNZVSLHOBXMB-OAHLLOKOSA-N 364.401 4.313 5 40 FIBB COc1ccc(CSc2nc(-c3ccccc3[N+](=O)[O-])c[nH]2)cc1F 30835646 KUOCLSRGVJHIFQ-UHFFFAOYSA-N 359.382 4.425 5 40 FIBB Cc1ccccc1NC1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 69620652 UDOOZBLADGOIEN-UHFFFAOYSA-N 354.410 4.012 5 40 FIBB Cc1csc(C2(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CCC2)n1 72286075 LYYIBABCMHVXBT-UHFFFAOYSA-N 373.459 4.384 5 40 FIBB COc1ccc([C@H](/C=C2/N(C)c3ccccc3C2(C)C)C[N+](=O)[O-])cc1 100340408 SSDVOIWYDLVABZ-RBYWHNRPSA-N 352.434 4.367 5 40 FIBB COC(=O)c1cnc(Nc2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 1654896243 MSTDVRKUJKTCHA-UHFFFAOYSA-N 365.345 4.312 5 40 FIBB CCCCCN(CCCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2743179 DPNAKLBFHSINGT-UHFFFAOYSA-N 351.403 4.326 5 40 FIBB COc1ccc(Cl)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 7093585 XPJOLERFOZNVBV-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 12774955 QXALCVGJNPLPPX-UHFFFAOYSA-N 353.205 4.103 5 40 FIBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C)ccc4o3)nc12 57352694 JADGZSPOOXHGDQ-UHFFFAOYSA-N 356.363 4.406 5 40 FIBB C[C@@]12C[C@H](NC(=O)N1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O2 100851243 JAEKJKKECDNXAW-WMLDXEAASA-N 359.769 4.018 5 40 FIBB Cc1c([N+](=O)[O-])c(C(=O)Nc2ccccc2Sc2ccccc2)nn1C 695984 LZCMSBCVPODFBX-UHFFFAOYSA-N 368.418 4.040 5 40 FIBB C[C@@H]1CC(C)(C)[N+](C)(CCC(C(N)=O)(c2ccccc2)c2ccccc2)C1 1653264 ZARGJXAZKJLDCN-ICCFGIFFSA-O 365.541 4.113 5 40 FIBB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 3603084 MZXMDFFEQKQWQU-UHFFFAOYSA-N 359.596 4.485 5 40 FIBB COc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCC1=O 40091232 VYAGECARSPAQFO-UHFFFAOYSA-N 361.785 4.127 5 40 FIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]c2ccccc2c1Cl 56976839 VQSGNTFDWXADIH-UHFFFAOYSA-N 357.797 4.392 5 40 FIBB O=c1cc(-c2cc3c(ccc4ccccc43)oc2=O)c2ccc(O)cc2o1 2123081 VOKOLUUQBZNEHL-UHFFFAOYSA-N 356.333 4.425 5 40 FIBB biogenic CCN(CC)C(=O)[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 7544509 FYFILWVPXCFAGU-QGZVFWFLSA-N 362.813 4.237 5 40 FIBB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1[N+](=O)[O-] 12538586 HFOFABXEMUFVKX-UHFFFAOYSA-N 364.386 4.223 5 40 FIBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC(F)F 12874785 BJMNCUJKTWGGES-UHFFFAOYSA-N 372.711 4.111 5 40 FIBB Nc1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 17206283 RROHAUJXXAPZTB-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2[nH]1 40061835 CPRMCLPZHGEGFS-UHFFFAOYSA-N 360.167 4.091 5 40 FIBB COc1cccc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 5034499 AGBAOJULJBYAGW-UHFFFAOYSA-N 368.345 4.124 5 40 FIBB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])cc1 7792987 WNDSXHBKFXTRBF-UHFFFAOYSA-N 365.414 4.459 5 40 FIBB O=C(Nc1ccccc1N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 25798256 AEJAHGZIVZNLOX-UHFFFAOYSA-N 363.373 4.003 5 40 FIBB Cc1cc(C)c(NC(=O)CNc2ccc3ncccc3c2[N+](=O)[O-])c(C)c1 51254973 CZLDCVZDGFGKSI-UHFFFAOYSA-N 364.405 4.119 5 40 FIBB COCCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccccc1 5578600 QYNTUXWYJHJHED-HNENSFHCSA-N 355.419 4.004 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 21125904 LQPSLGMBIHEVER-UHFFFAOYSA-N 371.176 4.171 5 40 FIBB Cc1cc(N[C@@H]2CCO[C@H](CC(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 95990653 RDQBILJEWWVROC-SJLPKXTDSA-N 370.453 4.366 5 40 FIBB CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)c(C)c1 225499405 JSPPNOOUTYCBMB-MRXNPFEDSA-N 362.813 4.446 5 40 FIBB CC[C@@H](C)N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3280666 BPZGPBZJIOIAGD-SJKOYZFVSA-N 361.829 4.316 5 40 FIBB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21820071 RKPACXPBYLAMLW-LLVKDONJSA-N 359.813 4.176 5 40 FIBB C[C@H](NCc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 57733385 MXFUGKOQWHERSP-JTQLQIEISA-N 368.220 4.018 5 40 FIBB CC(=O)c1c(C)cc(C)c(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 58377488 GFMRBAFBEWAGDT-UHFFFAOYSA-N 364.405 4.029 5 40 FIBB O=[N+]([O-])c1ccc(N2CCCC2)c([C@@H]2OCCCN2Cc2ccccc2)c1 59489903 OVWKVXLKHAYGFV-NRFANRHFSA-N 367.449 4.116 5 40 FIBB O=c1c2ccccc2c2nc3c(c(-c4ccccn4)c12)c(=O)c1ccccc13 3179088 ZBBVNJUJJQQGGM-UHFFFAOYSA-N 360.372 4.352 5 40 FIBB COc1ccc(OC)c(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 24211880 SPWCQJNHASHIGD-UHFFFAOYSA-N 356.300 4.243 5 40 FIBB Cc1cc(-c2csc(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)ccc1F 79060181 LLBUFPHFIDMLPC-UHFFFAOYSA-N 371.393 4.347 5 40 FIBB CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCc2ccccc21 18935273 IEUQQTWIFDEDLS-SFHVURJKSA-N 373.840 4.196 5 40 FIBB CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 20490637 OMNGMMSETQLDOW-SFHVURJKSA-N 358.463 4.404 5 40 FIBB O=c1[nH]c2ccccc2cc1-c1c2cn[nH]c2nc2c1oc1cc(O)ccc12 96221187 DPEGAGIZQSQELE-UHFFFAOYSA-N 368.352 4.071 5 40 FIBB biogenic CCOc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408569589 JSRJIAUATIOTFY-KRWDZBQOSA-N 354.406 4.374 5 40 FIBB COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCCC3)c2n1 1558201 OHPZUVWJMBDZHL-UHFFFAOYSA-N 370.884 4.343 5 40 FIBB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1 1660127 DGNIPXYRMLXLQW-RCCQNZRSSA-N 372.380 4.043 5 40 FIBB O=C(c1ccccc1)[C@H]1CCC[C@H](Sc2ccccc2[N+](=O)[O-])C1=O 3227034 GTDHNSRJYJDPCM-PBHICJAKSA-N 355.415 4.308 5 40 FIBB CCn1c2ccccc2c2nnc(SCc3cccc([N+](=O)[O-])c3)nc21 3383998 ZCVCDROJYIGTTF-UHFFFAOYSA-N 365.418 4.200 5 40 FIBB Cc1cc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)on1 11137425 ZVPMVBKIIWALCK-UHFFFAOYSA-N 360.369 4.085 5 40 FIBB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 31885673 YHMJZKIXVGWFMI-UHFFFAOYSA-N 359.288 4.089 5 40 FIBB Cc1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)ccc1[N+](=O)[O-] 72058548 WSWKWZWEKXWLNZ-UHFFFAOYSA-N 350.378 4.299 5 40 FIBB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214993092 LUVCXEUVKLMVNZ-YIERNNEGSA-N 366.398 4.388 5 40 FIBB Cc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 850662 XWWZMPNSQHOSQP-UHFFFAOYSA-N 374.352 4.496 5 40 FIBB Cc1cc(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c(C)c1C 22003833 JULAFQDDBVEPMA-UHFFFAOYSA-N 355.390 4.177 5 40 FIBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 214092264 LDMNQGJFDRYKCC-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C 223440469 RJSWQHFYAYQXLE-UHFFFAOYSA-N 372.855 4.079 5 40 FIBB Cc1ccc(NC(=O)c2sc(N)nc2-c2ccc([N+](=O)[O-])cc2)cc1C 1465440 OIHUSFWSOLSNDP-UHFFFAOYSA-N 368.418 4.170 5 40 FIBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2[N+](=O)[O-])C1 4900072 XJPYRADJOXCUDY-CYBMUJFWSA-N 357.385 4.223 5 40 FIBB Cc1ccc(C(=O)CSc2nnc(C)n2C2CCCCC2)cc1[N+](=O)[O-] 5865422 TZQGVAMBGWPVAN-UHFFFAOYSA-N 374.466 4.283 5 40 FIBB COc1ccc(CSCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 36396102 ZQICDDVROFRVSH-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CCCC1)C1CCCC1 95958453 AGTKUTDWIQXPEQ-UHFFFAOYSA-N 368.437 4.108 5 40 FIBB CCn1/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)sc2cccc(Cl)c21 12180919 MJCLRQUVTNUNRQ-FBMGVBCBSA-N 361.810 4.025 5 40 FIBB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12673263 JWTIOSNMPJDLQD-SGTLLEGYSA-N 373.840 4.316 5 40 FIBB Cc1ccc(-c2onc(C)c2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 35671957 UZCJKYBXGJFLON-UHFFFAOYSA-N 351.362 4.427 5 40 FIBB CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1 55700686 MMFXMIKUNLKWQO-HNNXBMFYSA-N 356.422 4.133 5 40 FIBB C[C@]12C[C@H](NC(=O)N1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O2 2601942 VBPVWFUKIAIHSU-YOEHRIQHSA-N 359.769 4.018 5 40 FIBB O=C(Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 6615681 XPLWEWINSSDCJK-UHFFFAOYSA-N 359.813 4.491 5 40 FIBB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215250126 IMONGUTXINVHAU-VDHUBAETSA-N 366.398 4.388 5 40 FIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1[N+](=O)[O-] 2080986 UZEMSTORTIMIFS-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)c(Cl)c1 2742700 VDLOPVNNRVPVQG-XBXARRHUSA-N 351.189 4.231 5 40 FIBB O=C1OC(c2cc(Cl)cc([N+](=O)[O-])c2)=N/C1=C/c1cccc(Cl)c1 3338044 KWLIUQWOUQMWCQ-LHHJGKSTSA-N 363.156 4.246 5 40 FIBB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5126975 SAVDBCWDKMUCCC-UHFFFAOYSA-N 354.815 4.172 5 40 FIBB O=c1[nH]c(/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc12 6909551 AMGUKDHCXIDOPG-PKNBQFBNSA-N 359.341 4.262 5 40 FIBB O=[N+]([O-])c1ccccc1COc1ncnc2c(Cl)cc(Cl)cc12 58366678 CFGPKXXYRGNIBZ-UHFFFAOYSA-N 350.161 4.424 5 40 FIBB CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 8072887 CUTLUNJJQVYJLY-AWEZNQCLSA-N 358.394 4.180 5 40 FIBB Cc1cc(C(=O)NCCCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 13668257 PKDWQIORZFDNNX-UHFFFAOYSA-N 356.422 4.053 5 40 FIBB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 32719696 BQKCGTLJLKOJTN-UHFFFAOYSA-N 366.776 4.058 5 40 FIBB O=C(Nc1ccnn1Cc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 40142323 MJVIODYPVOULFA-UHFFFAOYSA-N 372.384 4.245 5 40 FIBB O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3191906 ULDBURWJUWKQPG-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB O=C(Nc1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl 4070413 AXPSTVFGTWNGIR-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB CCOc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1 4420696 CTIOOBTYDGWBGI-UHFFFAOYSA-N 354.322 4.194 5 40 FIBB O=[N+]([O-])c1ccc(CSc2nnc(NC3CCCCC3)s2)cc1 6078654 QHVXSHRXYOGICC-UHFFFAOYSA-N 350.469 4.483 5 40 FIBB Cc1cc(C)cc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1 20196988 XMCSHSMQCSVIHW-UHFFFAOYSA-N 371.418 4.466 5 40 FIBB C[C@H](c1cccnc1)N(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 95400381 FXFWIAWVJVSQCX-LLVKDONJSA-N 360.801 4.401 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1-c1ccccc1 226072766 AKUHMZWFGSONOM-QFIPXVFZSA-N 362.493 4.370 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c2ccncc12 5688652 WLYOAEVPGHSDDB-LJQANCHMSA-N 366.421 4.375 5 40 FIBB O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O)c1cccs1 9479935 VGMWZGSBSNFMLS-UHFFFAOYSA-N 374.399 4.335 5 40 FIBB Cc1nc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Cl 10119506 SQEPIVCBXSMBSC-UHFFFAOYSA-N 357.753 4.464 5 40 FIBB O=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 35668620 SKUKXSFRXVMWJD-UHFFFAOYSA-N 357.105 4.415 5 40 FIBB C[C@H]1CCc2c(sc3ncnc(OCc4ccc([N+](=O)[O-])cc4)c23)C1 3310863 CSSRCHNVAMGIMQ-NSHDSACASA-N 355.419 4.303 5 40 FIBB CCNc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] 4058838 AMCFZWMLHHZUAS-UHFFFAOYSA-N 356.407 4.197 5 40 FIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 6926811 PGRIGMGKOXWWJP-NTEUORMPSA-N 360.778 4.489 5 40 FIBB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1 408528621 KEJVVVOOWLFUHE-UHFFFAOYSA-N 369.764 4.233 5 40 FIBB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 408562460 PSEHCTGDNSTISA-VXPUYCOJSA-N 367.430 4.194 5 40 FIBB Nc1nc(NC2CCCCC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5066526 VBIOXYCHWYOYHM-UHFFFAOYSA-N 362.821 4.109 5 40 FIBB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc([N+](=O)[O-])c1 5341934 AQPFJINITVJYRM-HNENSFHCSA-N 355.419 4.386 5 40 FIBB O=[N+]([O-])C[C@@H](OCCCCCCCCCCO)C(Cl)(Cl)Cl 5501092 OUWWQCMNINWUPO-GFCCVEGCSA-N 364.697 4.132 5 40 FIBB O=[N+]([O-])c1cccc(Oc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1 12322791 FSJZCFDABMXGHF-UHFFFAOYSA-N 367.752 4.145 5 40 FIBB CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 408817841 YMXQNDTXIOILKM-QPEQYQDCSA-N 364.766 4.174 5 40 FIBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 7318973 LYALXKAQRPPPNI-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 18209727 KSEYRAXQFLTMOU-CYBMUJFWSA-N 351.362 4.422 5 40 FIBB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1 19927371 STCPMLDFISPCNH-UHFFFAOYSA-N 374.809 4.008 5 40 FIBB Cc1ccc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1 57517352 QESJYFPQUGFMDD-UHFFFAOYSA-N 372.808 4.295 5 40 FIBB CCCN(C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CC1 95349778 LDNLTUXNCQHCLZ-CQSZACIVSA-N 368.437 4.178 5 40 FIBB Cc1ccccc1CSCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 408574061 HZUWHBYMGPDVBW-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408617582 CROOJJLLDYNGEB-UHFFFAOYSA-N 364.785 4.216 5 40 FIBB O=[N+]([O-])c1cccnc1NCc1cn(-c2ccccc2)nc1-c1ccccc1 22813416 HICOPZUWWBYEMB-UHFFFAOYSA-N 371.400 4.455 5 40 FIBB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)c1ccccc1[N+](=O)[O-] 61340475 VWIOCLVRHSAJMH-UHFFFAOYSA-N 367.386 4.001 5 40 FIBB Cc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])cc1C 4116732 DKJATZJJAWGELY-UHFFFAOYSA-N 367.409 4.482 5 40 FIBB CCC[C@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 7780408 LFPFIMWZTKGTKF-HNAYVOBHSA-N 355.438 4.361 5 40 FIBB C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 222901322 HHKRZNQTAORJIN-RZXPCSSPSA-N 350.418 4.364 5 40 FIBB C[C@H]1C[C@@H](C)C[N@+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 245229393 WQLBOYUQYLFYDC-SMKKKYSBSA-N 354.514 4.216 5 40 FIBB O=[N+]([O-])c1ccc(N2CC=C(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 4054425 UZDSEHIBKHGTFT-UHFFFAOYSA-N 359.769 4.450 5 40 FIBB C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 4895889 WRRZRNYYPRLUSU-HNNXBMFYSA-N 353.422 4.076 5 40 FIBB CN(C)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] 72229342 MESUTJAPPCCEIC-UHFFFAOYSA-N 354.193 4.220 5 40 FIBB Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)oc1ccccc12 793368 SGXMZVJJUCXNKQ-UHFFFAOYSA-N 358.184 4.292 5 40 FIBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(SC(F)F)cc1 3341612 OSUWSDRMTHWCKI-UHFFFAOYSA-N 371.340 4.099 5 40 FIBB COc1ccc(/C=C(\Cl)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6078930 IDDXPWDNGCFNDE-GDNBJRDFSA-N 357.753 4.390 5 40 FIBB O=C(OCc1csc(Nc2ccccc2)n1)c1ccccc1[N+](=O)[O-] 32941928 XTYBPEFEYARQMK-UHFFFAOYSA-N 355.375 4.152 5 40 FIBB O=C(N1CCC(Cc2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991458 RLLMVJQVQFSPND-UHFFFAOYSA-N 364.445 4.108 5 40 FIBB O=C(Cc1ccccc1)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 408974684 GRWJCUJTLQGOMB-UHFFFAOYSA-N 353.381 4.412 5 40 FIBB Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1 5054756 QZMSEIHXDNIBHQ-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225012038 AFZZNGUSCFFAIA-UHFFFAOYSA-N 368.414 4.087 5 40 FIBB Cc1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226071576 AYHNPFDGIWBQFV-FQEVSTJZSA-N 356.530 4.309 5 40 FIBB CC1(C)C[C@H]2C[C@@](C)(CN2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 408733057 VIIVBEJZGOZGJA-BLLLJJGKSA-N 351.428 4.411 5 40 FIBB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4838091 LWCLMKHZHMVEDX-ATVHPVEESA-N 360.325 4.199 5 40 FIBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2ccccc2s1 8325546 GZZKPBQDUWQUNF-UHFFFAOYSA-N 371.370 4.033 5 40 FIBB Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)c1 9242346 KYTPPCDSAYVHIF-UHFFFAOYSA-N 370.800 4.416 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1 24239235 AYWRBBJDXBHKRQ-UHFFFAOYSA-N 366.377 4.148 5 40 FIBB CC(C)OCCCNc1c([N+](=O)[O-])cnc2ccc(Br)cc12 40071367 VEPJCNOQMMQJDP-UHFFFAOYSA-N 368.231 4.133 5 40 FIBB O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cc1 6561158 CXMQVSNSMQIRCT-UHFFFAOYSA-N 366.348 4.418 5 40 FIBB CCCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 6636241 XJGPVQPFNJNEPG-UHFFFAOYSA-N 364.785 4.298 5 40 FIBB COc1ccccc1-c1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1C 7773491 MDXPRMLLUHZWMN-GFCCVEGCSA-N 370.434 4.252 5 40 FIBB Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(F)c1 11247732 XRMIBJZWXBWFDM-UHFFFAOYSA-N 360.388 4.241 5 40 FIBB CCOc1ccccc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 13668951 JKOAYPRGRBLWPU-UHFFFAOYSA-N 362.813 4.010 5 40 FIBB Cc1cc(F)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] 75108436 UZCGWRSOICIYGP-UHFFFAOYSA-N 357.385 4.285 5 40 FIBB Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Br 5546553 VTQHEDSVIRAGIW-SOFGYWHQSA-N 361.195 4.318 5 40 FIBB CNc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 12532779 OWARUGMFRQTPDC-XYOKQWHBSA-N 369.402 4.262 5 40 FIBB CCC(C)(C)c1ccc(OCCOc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 1761773 MSGDLMKWBWTNCK-UHFFFAOYSA-N 373.405 4.438 5 40 FIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1Cl 3441575 VDCSQRMZQNPUKK-QMMMGPOBSA-N 373.167 4.447 5 40 FIBB COc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)c(OC)c1 5526753 AHPGYNRWXJXKQE-UHFFFAOYSA-N 374.392 4.389 5 40 FIBB CCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 6570237 PCPUCBMLAWYVOU-UHFFFAOYSA-N 369.421 4.236 5 40 FIBB Cc1cc(C)n2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc2n1 12555362 VDXMTZVCDNFHMH-UHFFFAOYSA-N 371.447 4.156 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(OC(F)F)cc1 12924293 NXCUXOLDOXRKPL-UHFFFAOYSA-N 350.321 4.076 5 40 FIBB COc1ccc(OCc2coc(-c3ccc(C)cc3C)n2)c([N+](=O)[O-])c1 23006406 WOXYXLOLAZRZCH-UHFFFAOYSA-N 354.362 4.454 5 40 FIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33597379 AVUOOFPYMSHGER-UHFFFAOYSA-N 367.317 4.324 5 40 FIBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCC1 38306766 BHHMTRFLZFCLMM-UHFFFAOYSA-N 361.474 4.447 5 40 FIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1C(F)(F)F 46669560 HCEZRKJMBFCEGO-LLVKDONJSA-N 352.312 4.447 5 40 FIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)CCCC2 4088336 LDLKEDGSQRRECI-UHFFFAOYSA-N 353.403 4.336 5 40 FIBB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 12549903 QXSPSFRNOMJHAZ-OAHLLOKOSA-N 368.437 4.024 5 40 FIBB O=C(NCc1csc(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 14901421 XGBLXKWRCIWWBA-UHFFFAOYSA-N 354.391 4.040 5 40 FIBB O=[N+]([O-])c1ccccc1CNc1nc(-c2ccncc2)nc2ccccc12 52385384 BUATVWRKAVQXQY-UHFFFAOYSA-N 357.373 4.212 5 40 FIBB O=[N+]([O-])c1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 5346293 YBDCLSPBBXYBPI-UHFFFAOYSA-N 357.782 4.081 5 40 FIBB Cc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 31953214 SICFVBVUIVFYQM-NSHDSACASA-N 368.311 4.293 5 40 FIBB O=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)Nc1ccc(Cl)cc1 661541 RZKMZFXAWLGYSK-MDZDMXLPSA-N 355.781 4.181 5 40 FIBB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 2199110 LYZWCPYTGNIOFQ-YBEGLDIGSA-N 354.387 4.140 5 40 FIBB O=C1c2ccc(Oc3ccccc3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4419488 LLRRPGBDHQOFJB-UHFFFAOYSA-N 360.325 4.188 5 40 FIBB Cn1c(Cc2ccccc2)nnc1SCc1c(Cl)cccc1[N+](=O)[O-] 4537006 YOIXHWGJQYEVGM-UHFFFAOYSA-N 374.853 4.260 5 40 FIBB CC(=O)c1ccc(OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6578744 SWPDWWBXGUZHDX-UHFFFAOYSA-N 351.314 4.277 5 40 FIBB CC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 32983833 XHHOJUNPBNRAMV-IXYLRAAXSA-N 372.465 4.085 5 40 FIBB Cn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)sc2cc([N+](=O)[O-])ccc21 1005004 FNULNVAWMLGWMF-CZIZESTLSA-N 369.446 4.187 5 40 FIBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2749826 IWROMRMGDLCCOM-UHFFFAOYSA-N 361.353 4.302 5 40 FIBB COc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1[N+](=O)[O-] 22829070 CVZAJMMQEYXSBS-UHFFFAOYSA-N 369.421 4.236 5 40 FIBB C[C@@H](c1cccnc1)N(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 95400380 FXFWIAWVJVSQCX-NSHDSACASA-N 360.801 4.401 5 40 FIBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1F 1507913 UIMIISKBUXOYKN-GFMRDNFCSA-N 350.324 4.196 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1c[nH]c2ccccc12 3329865 NOVCEYIUOIYXID-UHFFFAOYSA-N 353.378 4.046 5 40 FIBB CC(C)(COC12CC3CC(CC(C3)C1)C2)NC(=O)c1ccc([N+](=O)[O-])cc1 4693852 DBPRESDHQVSATA-UHFFFAOYSA-N 372.465 4.089 5 40 FIBB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1[N+](=O)[O-] 12828268 WKSWYYVVMLJCAK-UHFFFAOYSA-N 351.815 4.226 5 40 FIBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 13551566 STZJMJGSRVMQKO-VLVOFSMPSA-N 354.749 4.149 5 40 FIBB Cc1cc(C)n(Cc2cccc(CNc3ccc(F)cc3[N+](=O)[O-])c2)n1 40139243 BDRGGMLFJBRWHV-UHFFFAOYSA-N 354.385 4.208 5 40 FIBB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222985765 LUZSFEHFCHHVTB-KRWDZBQOSA-N 358.394 4.016 5 40 FIBB CC(C)c1ccc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 12857712 GFGUANWWNHLZTJ-UHFFFAOYSA-N 356.422 4.217 5 40 FIBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc([N+](=O)[O-])cc1Cl 20141109 AAQMMKGZIXGEFZ-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB CCCCCC[C@@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NCC 5047566 YGBMPQIQWQZPLI-QAPCUYQASA-N 350.459 4.336 5 40 FIBB CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc12 5554482 QLNMTYMQOMOBDX-UHFFFAOYSA-N 370.317 4.354 5 40 FIBB C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 11563700 LKYSDZDUTLEDQZ-LFPRZYRFSA-N 371.481 4.118 5 40 FIBB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 40068820 ZGALPXSWUCNAAM-GJZGRUSLSA-N 371.437 4.375 5 40 FIBB CCc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)cnc2c1-c1ccccc1 40385273 LYWITXVFUKUTDD-UHFFFAOYSA-N 359.389 4.116 5 40 FIBB C[C@H]1CC(C)(C)[N+](C)(CCC(C(N)=O)(c2ccccc2)c2ccccc2)C1 1653263 ZARGJXAZKJLDCN-SXMXNQBWSA-O 365.541 4.113 5 40 FIBB Cc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 4668158 BMYFNIOFOMJJQV-UHFFFAOYSA-N 353.422 4.392 5 40 FIBB CCC(=O)Oc1cn(CC(C)C)c2nc(CC)n3c4ccccc4nc3c12 5453334 FKIYQHAEDRAFQZ-UHFFFAOYSA-N 364.449 4.371 5 40 FIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CCN(Cc2ccccc2)C1 12773616 LIWGNHCKFQIHGI-OAHLLOKOSA-N 365.355 4.300 5 40 FIBB Cc1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1[N+](=O)[O-] 32956392 FQKLHPUZCFBBOH-UHFFFAOYSA-N 369.402 4.460 5 40 FIBB CC1(C)C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2O1 217888140 BVOXGGGUKREOPV-DVQDXYAYSA-N 352.390 4.027 5 40 FIBB Cc1csc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 2725815 NZNCXDHJOWVIGA-MRVPVSSYSA-N 357.844 4.132 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(F)cc1 11182899 OQRQZWFVCNIARI-UHFFFAOYSA-N 364.332 4.217 5 40 FIBB N=C(N)SCc1c2ccccc2c(CSC(=N)N)c2ccccc12 17314588 ULXNUSWDNFKRMZ-UHFFFAOYSA-N 354.504 4.246 5 40 FIBB COc1ccccc1CN1COc2ccc3c(oc(=O)c4ccccc43)c2C1 19882380 FZYHQWVOHLDLDW-UHFFFAOYSA-N 373.408 4.307 5 40 FIBB biogenic O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2ccccc2)cc1 225125943 GIBKIKXHINOIKA-FQEVSTJZSA-N 363.369 4.337 5 40 FIBB COc1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226071327 ZIXHTIMIFSJILQ-IBGZPJMESA-N 372.529 4.009 5 40 FIBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 5869704 DRBZIHHLTAUDDH-VIFPVBQESA-N 355.177 4.308 5 40 FIBB Cc1ccc(SCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 13856366 HOKRRXYDBCGNAY-UHFFFAOYSA-N 350.827 4.079 5 40 FIBB Cc1cccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 408573390 DODBAIJQBWJSPY-UHFFFAOYSA-N 364.854 4.220 5 40 FIBB CCOc1ccc(N(Cc2cccc([N+](=O)[O-])c2)C(=O)c2ccco2)cc1 853573 NWWVKBINLYLYKS-UHFFFAOYSA-N 366.373 4.434 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)(F)C(F)F)c1 2763417 XNMHESSITKXFCU-UHFFFAOYSA-N 358.247 4.084 5 40 FIBB Cn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1C1CC1 4946067 OVOBWMMIXLYZKE-UHFFFAOYSA-N 363.442 4.244 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1c(Cl)cccc1Cl 6620094 FINZZNVYBOIRMU-UHFFFAOYSA-N 355.177 4.091 5 40 FIBB CC(C)c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=S)n1C1CC1 32923178 VFXKIHQQOHSQDN-LBPRGKRZSA-N 373.482 4.189 5 40 FIBB O=c1[nH]nc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc12 4981299 JPMDPKQWQZZZMO-UHFFFAOYSA-N 372.384 4.110 5 40 FIBB O=[N+]([O-])c1ccc(NCCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 5335677 RLNBRHWLHASOIB-UHFFFAOYSA-N 350.762 4.071 5 40 FIBB Cc1cnc(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cn1 12606994 BFUMFIPFODGAKC-UHFFFAOYSA-N 367.412 4.300 5 40 FIBB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc([N+](=O)[O-])cc1Cl 40074583 QDJIENVQOWETEN-UHFFFAOYSA-N 370.752 4.083 5 40 FIBB C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 58138966 SMWYVBFWQOSAKI-SNVBAGLBSA-N 368.311 4.193 5 40 FIBB Cc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1C 409098542 QOTMYFOECOTERZ-UHFFFAOYSA-N 354.435 4.393 5 40 FIBB COc1ccccc1-c1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1C 7773488 MDXPRMLLUHZWMN-LBPRGKRZSA-N 370.434 4.252 5 40 FIBB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 8040958 IFJGDNCFFZJTCP-HNNXBMFYSA-N 364.785 4.053 5 40 FIBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1 9898235 CDAQYSZZSPBEBH-LJQANCHMSA-N 370.405 4.244 5 40 FIBB COc1ccc(CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C2CC2)cc1 12912941 KGNJVTUQVQQSBR-UHFFFAOYSA-N 372.446 4.130 5 40 FIBB O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCc2ncccc21 25674076 ATOJIAFMEIVWBM-UHFFFAOYSA-N 374.400 4.326 5 40 FIBB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C 223439678 HNOJYLHSADYCAB-UHFFFAOYSA-N 372.855 4.079 5 40 FIBB CCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 6274211 PHDDJTCCEPXACD-UHFFFAOYSA-N 364.785 4.298 5 40 FIBB Cc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])c2ncccc12 13843398 ZCYNUDBCHUJXMF-UHFFFAOYSA-N 367.430 4.491 5 40 FIBB Cc1cc(Cl)ccc1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1 41690114 UGNCEOPNAJKANY-HXUWFJFHSA-N 360.905 4.199 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCc1ccccc1-2 4079348 DCWNTEMFNNDOIC-UHFFFAOYSA-N 366.402 4.461 5 40 FIBB Cc1c(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cccc1[N+](=O)[O-] 4370807 DXIYXNDJHARBTR-UHFFFAOYSA-N 372.384 4.470 5 40 FIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1F 8916429 GXMOUSWRZIUQST-UHFFFAOYSA-N 354.337 4.170 5 40 FIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1C(F)(F)F 54216730 ZKNHHXDTSBZPJK-VIFPVBQESA-N 372.274 4.159 5 40 FIBB CCCCSc1cc2oc(=O)c3cc([N+](=O)[O-])cc4oc(=O)c(c1)c2c43 4016244 KWUIYKNQSQYDRW-UHFFFAOYSA-N 371.370 4.291 5 40 FIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1C(F)(F)F 8776294 WSRUFSQMBRPDPM-UHFFFAOYSA-N 367.308 4.476 5 40 FIBB CN(C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 36226941 GPVMVWQRLJNYOU-ZDUSSCGKSA-N 359.373 4.390 5 40 FIBB Cc1ccccc1OCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1777515 XCFIMXPLLFXHNS-UHFFFAOYSA-N 371.418 4.311 5 40 FIBB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cccc([N+](=O)[O-])c1 3263270 GOKFMKAODRNHNC-UHFFFAOYSA-N 363.782 4.120 5 40 FIBB Cc1nn(-c2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c2c1=O 5206833 VQVYGFJTOKXREP-UHFFFAOYSA-N 369.428 4.013 5 40 FIBB COc1ccc(NC(=O)/C=C/c2ccccc2)c2nc3ccccc3nc12 5525696 AFITUBCSUQVMON-SDNWHVSQSA-N 355.397 4.444 5 40 FIBB C[C@H](Sc1nnc(Cc2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 12686506 STUXBWWWJSTHAW-ZDUSSCGKSA-N 354.435 4.167 5 40 FIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 325828631 TXAUXHDCDKGWGH-UHFFFAOYSA-N 370.148 4.371 5 40 FIBB COC(=O)c1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1 408541913 GMMXGAXTNQGNJC-NTMALXAHSA-N 354.318 4.108 5 40 FIBB COc1ccc([C@H]2OC[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)cc1 1306221 PFTZAIRXBHPFGC-PKTZIBPZSA-N 368.497 4.310 5 40 FIBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 5598903 UXNBJDCAFUKQLA-UHFFFAOYSA-N 354.387 4.063 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 5941658 VHRCIRZJUXUVGP-UHFFFAOYSA-N 368.414 4.371 5 40 FIBB O=[N+]([O-])c1ccccc1Oc1ccc2nnc(-c3ccccc3Cl)n2n1 12389826 NEDTZXPKUAYBPU-UHFFFAOYSA-N 367.752 4.145 5 40 FIBB CC[N+](C)(CC)CCOC(=O)c1ccccc1CCC(=O)c1ccccc1 5469330 IECKRSNIDMMODW-UHFFFAOYSA-N 368.497 4.145 5 40 FIBB CSc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] 12752997 HRSAWKMPIOBNPD-UHFFFAOYSA-N 360.410 4.261 5 40 FIBB Cc1c(CSc2nc3ccccc3c(=O)n2C2CC2)cccc1[N+](=O)[O-] 40127747 CAPNBWPVXJQJDF-UHFFFAOYSA-N 367.430 4.240 5 40 FIBB Cc1ccc([C@@H]2OCCC[C@@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 72307310 WVFYLLSWJMGUFZ-WMZOPIPTSA-N 357.366 4.144 5 40 FIBB O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]2Cc2cccc(F)c2)cc1 84372398 SYAYXLAIEHWZOK-KRWDZBQOSA-N 359.426 4.138 5 40 FIBB Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 192713457 NPQNLFPKXMVWHA-UHFFFAOYSA-N 361.206 4.011 5 40 FIBB O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccc(F)cc3)c12 55492390 HFAJHRONNDGPHW-UHFFFAOYSA-N 367.361 4.366 5 40 FIBB CC(C)c1ccc(NC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1 408531920 MVBZPRYFCHXGAB-UHFFFAOYSA-N 362.389 4.428 5 40 FIBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1 830452 QHKXXAPPUHGZDM-UHFFFAOYSA-N 365.345 4.001 5 40 FIBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 20140979 YIXDJXOPQBEVDV-UHFFFAOYSA-N 366.373 4.216 5 40 FIBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(Cl)c1 160306223 NFXPOBGEUILVFH-UHFFFAOYSA-N 358.206 4.027 5 40 FIBB COc1ccc(OC)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 24928717 BHOPRPQEYUSVBJ-UHFFFAOYSA-N 358.394 4.162 5 40 FIBB C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 58138959 SMWYVBFWQOSAKI-JTQLQIEISA-N 368.311 4.193 5 40 FIBB Cc1nc2ccccc2c2c(NC(=O)CN3CCCCC3)c3ccccc3n12 1876143 OSVSDVDTNCVUPF-UHFFFAOYSA-N 372.472 4.374 5 40 FIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc2c(c1)OCO2 3511590 XXZRKMHNPQGADY-UHFFFAOYSA-N 374.348 4.032 5 40 FIBB CSc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 5299109 JLKMKPYDMBDZKK-UHFFFAOYSA-N 351.434 4.240 5 40 FIBB CCCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1 11972775 ZSMBJJZDDSXKFQ-UHFFFAOYSA-N 368.462 4.479 5 40 FIBB COc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1Cl 17146033 AMYGAHOARMELOC-UHFFFAOYSA-N 374.740 4.457 5 40 FIBB CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 223376929 RDYUGJYTNPVOSA-KPKJPENVSA-N 368.433 4.101 5 40 FIBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3149533 HILHFZGSSZEJRG-UHFFFAOYSA-N 356.121 4.062 5 40 FIBB CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCC1 5353989 GYHLYFIGSOVXRL-UHFFFAOYSA-N 365.477 4.096 5 40 FIBB O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])o2)N1c1ccc(Cl)cn1 54702806 QMPZBCOWZKNGNB-MRXNPFEDSA-N 370.752 4.007 5 40 FIBB C[C@@H](C[C@@H](C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 2271385 CQQFLFFJZZXALL-KGLIPLIRSA-N 372.377 4.490 5 40 FIBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 2716182 GAQGGYLBMHULBT-UHFFFAOYSA-N 351.764 4.297 5 40 FIBB CCCCn1c(-c2ccc(C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5352021 YFKOQNWRHQWELS-UHFFFAOYSA-N 373.456 4.024 5 40 FIBB O=C(NCCSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 18182303 KAYBFIINNTWOQN-UHFFFAOYSA-N 351.815 4.162 5 40 FIBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(Cl)cc1 408571898 PUOLHFDYMJQKLM-MRXNPFEDSA-N 374.853 4.339 5 40 FIBB Cc1ccn2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc2c1 4815142 WILUMSZZONIWQS-UHFFFAOYSA-N 372.384 4.470 5 40 FIBB Cc1ccc(Nc2nc(COC(=O)c3ccccc3[N+](=O)[O-])cs2)cc1 7984897 RUOZVHOVFXXONX-UHFFFAOYSA-N 369.402 4.460 5 40 FIBB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 13137394 KKYHAJFSAXSYRQ-UHFFFAOYSA-N 365.311 4.440 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1 15270879 INJFDZBBSNOOMX-UHFFFAOYSA-N 366.826 4.129 5 40 FIBB O=[N+]([O-])c1ccc2c(/C=C/c3ccccn3)nn([C@H]3CCCCO3)c2c1 69593866 BKXMYFOISYYOLE-QPGLYAHGSA-N 350.378 4.209 5 40 FIBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccnc3)=NN21 226783489 DYXKSWVGCMUFNU-TZIWHRDSSA-N 372.384 4.232 5 40 FIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2NN=C(c3ccccc3)S2)cc1 59408983 OEQJFDWYODBLTD-GOSISDBHSA-N 350.403 4.082 5 40 FIBB COc1ccccc1-c1ccc(SCc2ccc([N+](=O)[O-])cc2)nn1 4356213 XZCDOTCRXRWIRZ-UHFFFAOYSA-N 353.403 4.353 5 40 FIBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCCC1 5603717 NQILPIQPLYPTRC-DYVFJYSZSA-N 374.466 4.003 5 40 FIBB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(Cl)cc1[N+](=O)[O-] 8429389 DROAKCKAYRQAPE-UHFFFAOYSA-N 369.736 4.388 5 40 FIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(Cl)cc1 32777281 MNNNODYKTRWVQX-UHFFFAOYSA-N 363.782 4.120 5 40 FIBB O=C(CC[C@@H]1CCCCO1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 89780857 BAHNSLLLENLNNZ-AWEZNQCLSA-N 361.423 4.006 5 40 FIBB O=C(Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 1621486 UHVYJKJATGZLQR-UHFFFAOYSA-N 364.313 4.389 5 40 FIBB O=C(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 5845270 GIBHCVQXDURPTE-UHFFFAOYSA-N 361.348 4.116 5 40 FIBB CCC[C@@H](C)N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 7780405 LFPFIMWZTKGTKF-BEFAXECRSA-N 355.438 4.361 5 40 FIBB COc1ccc2cc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)O)ccc2c1 39983761 GDMQESSBEIIROC-XVNBXDOJSA-N 350.330 4.020 5 40 FIBB O=C(Nc1ccccc1N1CCc2sccc2C1)c1ccc([N+](=O)[O-])o1 49742417 KANOHFHAQUGCCI-UHFFFAOYSA-N 369.402 4.064 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(Cl)cccc1Cl 225350511 RANNKWZQCKSPAY-UHFFFAOYSA-N 369.204 4.482 5 40 FIBB Cc1ccc(-c2csc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)o1 4174153 CUCGAKQIAQTCJI-SOFGYWHQSA-N 355.375 4.272 5 40 FIBB O=[N+]([O-])c1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1 4326803 VXPDGQJDSNULMC-UHFFFAOYSA-N 369.431 4.053 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1N1CCCC1 6831517 WYVYREJCMODGKB-UHFFFAOYSA-N 360.801 4.492 5 40 FIBB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 8586783 CIGONWDLTMECCH-GFCCVEGCSA-N 359.451 4.455 5 40 FIBB COc1ccc(NC(=O)CCCSc2ccc(C)cc2)c([N+](=O)[O-])c1 10217909 HJBXCNFNSOKNBG-UHFFFAOYSA-N 360.435 4.423 5 40 FIBB COc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 21116986 SROJYUKIOWYDKY-SNVBAGLBSA-N 366.826 4.376 5 40 FIBB CCc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1 32777246 XZINDEZIYCXVAI-UHFFFAOYSA-N 357.391 4.029 5 40 FIBB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCc1ccccc1[N+](=O)[O-] 46136591 FELDUTWLFWJKTR-MDZDMXLPSA-N 367.792 4.126 5 40 FIBB O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCC2)c(C(F)(F)F)c1 48260951 KPOFEOZYLWJJRA-HNNXBMFYSA-N 369.343 4.456 5 40 FIBB C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 223153288 RFZHQSRMJXQPCA-AWEZNQCLSA-N 370.474 4.194 5 40 FIBB Cc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 223436957 MSLFVTOWFDDTPG-UHFFFAOYSA-N 356.422 4.010 5 40 FIBB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2o1 12536364 OSSDZTXQMDXFLJ-SECBINFHSA-N 374.784 4.137 5 40 FIBB Cc1c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 30116312 MGQWGCGXEXRTKK-NSHDSACASA-N 352.312 4.413 5 40 FIBB Cc1nc2sccn2c1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 888708 NQGCSOPKCSNIPV-UHFFFAOYSA-N 357.420 4.480 5 40 FIBB Nc1nc(Nc2ccc(Cl)cc2)nc(NC2CCCCC2)c1[N+](=O)[O-] 5031007 KSVAENYLABVXJB-UHFFFAOYSA-N 362.821 4.109 5 40 FIBB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 5464920 LUXZHULZKQQLJQ-UHFFFAOYSA-N 354.406 4.444 5 40 FIBB O=C(NC1CC1)[C@@H](Sc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 96010330 ODMDEWLPWQMPPS-INIZCTEOSA-N 362.838 4.360 5 40 FIBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1 225859769 BAWHAZTURDEOMT-UHFFFAOYSA-N 369.421 4.229 5 40 FIBB O=C(NCc1ccccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6508562 YFCCQRFDOSDGIL-UHFFFAOYSA-N 356.765 4.438 5 40 FIBB CCOc1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1[N+](=O)[O-] 41107603 HQYKQJRAIWISQQ-DELCKGKKSA-N 372.465 4.472 5 40 FIBB O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)c(Br)cc1F 95215578 KVLMJQRLICLDKS-UHFFFAOYSA-N 353.358 4.203 5 40 FIBB Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CC(C)(C)O2 217889008 QESNWHZYYAOHBJ-XSFOEPMVSA-N 366.417 4.335 5 40 FIBB COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CCCC2 408925405 KIVRCKORVVHONZ-UHFFFAOYSA-N 360.797 4.388 5 40 FIBB O=C(NC(Cl)=C(Cl)Cl)OCc1ccc(Cl)c([N+](=O)[O-])c1 2577666 BWWAJRYOFAPIHC-UHFFFAOYSA-N 359.980 4.317 5 40 FIBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 5701334 KZPBJWNYERVLRD-NRFANRHFSA-N 373.412 4.404 5 40 FIBB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1Cl 6831410 RRTJOQVRJNMHFX-UHFFFAOYSA-N 360.782 4.019 5 40 FIBB O=C(c1ccccc1)c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 6866899 GWFXEMOUIRPYJB-UHFFFAOYSA-N 362.341 4.298 5 40 FIBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(O)cc1 9422685 UVIBNSMSNJRBQN-LJQANCHMSA-N 361.357 4.072 5 40 FIBB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccc(Cl)c([N+](=O)[O-])c1 223088647 ACLSWQXBDSVCOV-UHFFFAOYSA-N 360.732 4.030 5 40 FIBB O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C/c1ccc(Cl)cc1Cl 663398 MSFJNMVRYYTNCT-NTUHNPAUSA-N 363.156 4.246 5 40 FIBB Nc1nc(Nc2ccccc2F)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5031319 KPKYWLKJBILQAX-UHFFFAOYSA-N 374.763 4.247 5 40 FIBB Cc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 8125100 UVJCTOFVLWMMMM-UHFFFAOYSA-N 350.827 4.079 5 40 FIBB COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2 8249420 NDVNKNMJGSTZEM-UHFFFAOYSA-N 360.369 4.427 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc2ccccc12 19014941 JOGCLEDNNKEEHR-UHFFFAOYSA-N 352.306 4.300 5 40 FIBB CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1C(F)(F)F 59375187 BMPVRFJRHAXIIB-UHFFFAOYSA-N 354.328 4.124 5 40 FIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1 179152702 HOLNYIPRGUKPQE-UHFFFAOYSA-N 371.462 4.067 5 40 FIBB O=[N+]([O-])c1ccccc1CSc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1 30835900 QQCUOZHYMXWFQU-UHFFFAOYSA-N 356.363 4.185 5 40 FIBB Cc1nn(Cc2csc(Cc3ccc(Cl)cc3)n2)c(C)c1[N+](=O)[O-] 32315741 SARWMBVLMJKSKD-UHFFFAOYSA-N 362.842 4.157 5 40 FIBB CC(C)(C)c1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 711878 LZPIUEDVUZPKQL-SFQUDFHCSA-N 350.374 4.237 5 40 FIBB COc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1[N+](=O)[O-] 2301789 CGTBNVLUJMMOMF-YVLHZVERSA-N 374.352 4.101 5 40 FIBB CC(C)(C)C(=O)Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)C(C)(C)C 6022798 FJFZBDXTVMIZNG-UHFFFAOYSA-N 363.439 4.296 5 40 FIBB CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 8267543 NKBHRXBCJZBMAC-UHFFFAOYSA-N 358.394 4.343 5 40 FIBB COc1cccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1 2114343 WZKZTPHQRZQOPS-UHFFFAOYSA-N 359.381 4.311 5 40 FIBB biogenic COC(=O)c1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1 6441026 MCMKORCCHZSBFM-UHFFFAOYSA-N 372.384 4.214 5 40 FIBB COc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 7641048 XGILLJOINSRCPT-UHFFFAOYSA-N 369.402 4.288 5 40 FIBB O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1sc2ccccc2c1Cl 64307201 KRMQGHNENHTZHP-UHFFFAOYSA-N 360.778 4.419 5 40 FIBB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc3ccccc3c(=O)c2c1 95457276 SZWYKRXHDFNQML-CQSZACIVSA-N 359.381 4.352 5 40 FIBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccc(F)cc1 3340494 ATWFIROKBXKOMD-UHFFFAOYSA-N 363.395 4.480 5 40 FIBB CC1CCN(c2ccc(C(=O)NC3CCCCCC3)cc2[N+](=O)[O-])CC1 5688830 BERQVWXGWXLMAS-UHFFFAOYSA-N 359.470 4.284 5 40 FIBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 36239990 AAIHEZGNYXLYBB-ZOAFEQKISA-N 358.397 4.403 5 40 FIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl 214089400 VPQOYUNJAVOROF-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 226257052 GZVOERGIGSLPFG-VMPITWQZSA-N 366.167 4.194 5 40 FIBB CSc1ccc2cc(Cn3nc(C)c([N+](=O)[O-])c3C)c(Cl)nc2c1 6589708 JDXXZDOCHQDQFO-UHFFFAOYSA-N 362.842 4.380 5 40 FIBB COc1ccc(-c2noc(-c3ccc(NC(C)C)c([N+](=O)[O-])c3)n2)cc1 20897739 JOYSNALGXWAXPU-UHFFFAOYSA-N 354.366 4.141 5 40 FIBB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 22525284 XSVJRCVYHXIYAS-CQSZACIVSA-N 374.462 4.104 5 40 FIBB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917458 UWKUSUWZOFGFFG-OQLLNIDSSA-N 374.805 4.485 5 40 FIBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1516991 VJAZKMKFOLDJPQ-MRVPVSSYSA-N 373.167 4.447 5 40 FIBB Cn1cc(C(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccc([N+](=O)[O-])cc1 3167390 IPBDLYPTMVDRJD-UHFFFAOYSA-N 368.776 4.049 5 40 FIBB CC1CCN(c2ccc(C(=O)Nc3cccc(F)c3)cc2[N+](=O)[O-])CC1 5688425 JULYQWONNGIFDZ-UHFFFAOYSA-N 357.385 4.223 5 40 FIBB O=C(CN(C1=NCCCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 8436126 XRQNZVZROXAXBU-UHFFFAOYSA-N 351.406 4.257 5 40 FIBB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 222656313 RJRXUWXPQPSDQL-IZZDOVSWSA-N 366.402 4.074 5 40 FIBB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081413 BJONIQMJQNPSRO-UHFFFAOYSA-N 368.842 4.080 5 40 FIBB COc1cc(Cl)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408566010 DOKBUOCMZRPBMW-AWEZNQCLSA-N 360.797 4.247 5 40 FIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102717901 XPDKBYXIHXVCHA-PFNKYVCDSA-N 369.248 4.389 5 40 FIBB CCCCc1nc2c(c(=O)c3ccccc3n2C)c2nc3ccccc3n12 5206923 RQRDNOUEKNLYGD-UHFFFAOYSA-N 356.429 4.230 5 40 FIBB O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 6061537 AZYSIKTXVIFVGJ-UHFFFAOYSA-N 374.702 4.285 5 40 FIBB CC1(C)CN=C(SCc2cc(=O)oc3ccc4ccccc4c23)NC1 13042283 DYLPJZWSEAZSPJ-UHFFFAOYSA-N 352.459 4.165 5 40 FIBB Cc1cccc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)c1 20492301 NSRQFIISHVQPOK-UHFFFAOYSA-N 374.356 4.207 5 40 FIBB Cc1ncc([N+](=O)[O-])n1Cc1cn(-c2ccccc2)nc1-c1ccccc1 64332244 KBXUQELAPVFZEU-UHFFFAOYSA-N 359.389 4.001 5 40 FIBB Cc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@]1(C)[C@@H]2C 100889685 WOKWOXLNVYXFJG-JLBUNGTFSA-N 369.446 4.084 5 40 FIBB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1[N+](=O)[O-] 12564885 TVZSAIFCRXBLKZ-UHFFFAOYSA-N 357.797 4.023 5 40 FIBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 20140894 VXMFUMHYIMVCDB-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(Cl)cc1 822623 HOIJKVVHQWQDAB-AUWJEWJLSA-N 363.156 4.246 5 40 FIBB Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)O)o1 10031504 DYODNJPCNSTFLW-UHFFFAOYSA-N 372.358 4.175 5 40 FIBB O=[N+]([O-])c1ccc(N2[C@H](c3ccccc3[N+](=O)[O-])C2(Cl)Cl)cc1 5331519 MENMVEDPKVLJAH-FWJOYPJLSA-N 354.149 4.196 5 40 FIBB O=c1oc2ccccc2c(Nc2ccccc2Br)c1[N+](=O)[O-] 9042719 NQILGTQQAKSSEM-UHFFFAOYSA-N 361.151 4.207 5 40 FIBB CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 32400501 ZFKHCUXOLRMNIJ-UHFFFAOYSA-N 363.211 4.022 5 40 FIBB C[C@H]1C[C@@H](C)C[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 36631441 WQLBOYUQYLFYDC-ILLUCPLUSA-N 354.514 4.216 5 40 FIBB C[C@@H]1C[C@@H](C)C[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 36631443 WQLBOYUQYLFYDC-KNKQGSTJSA-N 354.514 4.216 5 40 FIBB Cc1c(CSc2nncn2[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 53841004 WUIYWNXNJNCHMW-AWEZNQCLSA-N 354.435 4.396 5 40 FIBB O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 106685506 SHIMTAJCFPCWIU-DHDCSXOGSA-N 374.805 4.485 5 40 FIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4749097 ZVUGHWWOZSMZJW-UHFFFAOYSA-N 367.317 4.324 5 40 FIBB CCn1c2ccccc2c(=O)c2c1nc(C(C)C)n1c3ccccc3nc21 5346708 GGXFAFHRKVXBOK-UHFFFAOYSA-N 356.429 4.494 5 40 FIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 36621084 UGRMJPIKWGSQLE-QGZVFWFLSA-N 355.394 4.281 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 226072027 SPYPNLYLEOLZKJ-HSZRJFAPSA-N 362.493 4.370 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409114019 KEJNDBRTPBZJCF-GHRIWEEISA-N 364.357 4.376 5 40 FIBB COc1ccc2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c1 10258865 QXDDCFDRAJIRFY-UHFFFAOYSA-N 351.362 4.078 5 40 FIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12573575 KQTSIYGETRCWCS-OAHLLOKOSA-N 370.796 4.102 5 40 FIBB O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624214 UZOHDYKXKQLGGH-UHFFFAOYSA-N 356.765 4.438 5 40 FIBB COc1ccc(N(C)C(=O)Nc2cc3ncccc3c3cccnc23)cc1 408975889 OSSYUJLPSKPJNQ-UHFFFAOYSA-N 358.401 4.460 5 40 FIBB CC(=O)Oc1cn(-c2ccc(C)cc2)c2nc(C)n3c4ccccc4nc3c12 2213780 AOGQGFOFOACCIT-UHFFFAOYSA-N 370.412 4.369 5 40 FIBB C[C@@]12C[C@@H](NC(=O)N1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O2 2601940 VBPVWFUKIAIHSU-RHSMWYFYSA-N 359.769 4.018 5 40 FIBB Cc1ccccc1[C@H](C)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 32777382 ZGWHWLYGVKMKGX-LBPRGKRZSA-N 371.418 4.014 5 40 FIBB CN(C)C(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 40091225 ILERNUJJCPXZQE-UHFFFAOYSA-N 354.284 4.108 5 40 FIBB CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 14205754 WWHGRLNPBPKYAR-UHFFFAOYSA-N 356.425 4.356 5 40 FIBB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2ncccc2[N+](=O)[O-])cc1 48311851 ODLZWMBNAQNZAO-AWEZNQCLSA-N 373.478 4.158 5 40 FIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)o1 72228660 VNSGNNRKJVJDRV-UHFFFAOYSA-N 353.172 4.073 5 40 FIBB Cc1ccc(C(=O)Nc2cc(-c3c(F)cccc3F)no2)cc1[N+](=O)[O-] 95448260 OPWOSSZJCFXBMN-UHFFFAOYSA-N 359.288 4.089 5 40 FIBB CN(C)c1ccc2nc3ccc(N(C)CCCC(=O)O)cc3[s+]c2c1 98175217 PNNUZEYRJBMGCH-UHFFFAOYSA-O 356.471 4.098 5 40 FIBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2ccncc2c2ncccc12 408978046 XWOFBVZTPNKSCC-UHFFFAOYSA-N 359.345 4.335 5 40 FIBB Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 846538 LPMHNJFUQXMCJC-UHFFFAOYSA-N 359.381 4.272 5 40 FIBB CC[C@@H](C)c1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 3553587 MYZNLHKZQQPYNK-GFCCVEGCSA-N 356.378 4.147 5 40 FIBB O=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 3887148 RIJLHZQEHJVEFT-UHFFFAOYSA-N 361.360 4.076 5 40 FIBB CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 57503889 QFXPFBMOGFGVOX-GOSISDBHSA-N 360.385 4.087 5 40 FIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C/c1cccs1 225233436 BPCHIWVWNMKMRL-NTEUORMPSA-N 366.851 4.497 5 40 FIBB CSc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] 15091626 YBDTVPRGDKOFQA-UHFFFAOYSA-N 373.459 4.199 5 40 FIBB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 22245933 PUQSNXXBNRVZDT-UHFFFAOYSA-N 372.381 4.495 5 40 FIBB CCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC 224708287 GUDKFTYFJADKEM-UHFFFAOYSA-N 358.394 4.172 5 40 FIBB Cn1nc(-c2ccccc2)c(COC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl 3135094 JDWKSDDIENQTBT-UHFFFAOYSA-N 371.780 4.006 5 40 FIBB O=C(Nc1cccc2ccccc12)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 8382068 SPBKXWBHSNHDHA-UHFFFAOYSA-N 370.368 4.457 5 40 FIBB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc([N+](=O)[O-])cc1Cl 408530641 QETAPMYUCCUFEA-UHFFFAOYSA-N 373.727 4.064 5 40 FIBB O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1O 59474402 CGOVOGNMYVGPGS-UHFFFAOYSA-N 350.330 4.345 5 40 FIBB Cc1cccc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1[N+](=O)[O-] 65551805 BOVKAGFOZDAOOD-UHFFFAOYSA-N 369.808 4.236 5 40 FIBB COc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C=C2C 10157730 CUZOHEHOYCUKDS-UHFFFAOYSA-N 352.390 4.446 5 40 FIBB C[N+](C)(Cc1ccccc1)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 36640182 IPPAGWXEPGGWKT-XCBYWJNASA-N 372.573 4.247 5 40 FIBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc([N+](=O)[O-])s1 3242195 SYUBTLXSVFBAGV-UHFFFAOYSA-N 357.416 4.131 5 40 FIBB CCc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 8201041 AITNOSYNEOYSDL-UHFFFAOYSA-N 371.418 4.412 5 40 FIBB Cc1ccccc1N1C(=S)N[C@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@H]2C 229974521 WOKWOXLNVYXFJG-WILYLXEWSA-N 369.446 4.084 5 40 FIBB O=C1c2cccnc2-c2nccc3c2c1nc1cc(Br)ccc13 1637466 CPXBDTZAJSRIKJ-UHFFFAOYSA-N 362.186 4.152 5 40 FIBB biogenic O=[N+]([O-])c1ccc2[nH]c(SCc3cc4c(cc3Cl)OCO4)nc2c1 16431421 KPEFDAMYCYUQLC-UHFFFAOYSA-N 363.782 4.146 5 40 FIBB Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20140992 QSFIQYCZLTYOOB-UHFFFAOYSA-N 366.373 4.216 5 40 FIBB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 215253860 RKHOWDXQKJVWEO-MHWRWJLKSA-N 354.387 4.140 5 40 FIBB Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 5674323 KYFPCQBIXZQSAK-UHFFFAOYSA-N 357.366 4.418 5 40 FIBB CC(C)CSc1nnc(Sc2nc3sccn3c2[N+](=O)[O-])s1 12686861 AZFGKWQTINCJJO-UHFFFAOYSA-N 373.510 4.055 5 40 FIBB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cccc1[N+](=O)[O-] 14604319 RJIYRVDGTSMMGK-UHFFFAOYSA-N 367.327 4.240 5 40 FIBB C[C@H](OCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 32907542 YXNWOSJRPNAKHB-ZDUSSCGKSA-N 362.813 4.146 5 40 FIBB O=[N+]([O-])c1cc(SC2CCCCC2)c2c(C3OCCO3)noc2c1 1069821 HRJXCBDRQHKEOF-UHFFFAOYSA-N 350.396 4.206 5 40 FIBB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc([N+](=O)[O-])c1C 4162616 RXDLDDVWVUOAOF-UHFFFAOYSA-N 368.345 4.078 5 40 FIBB COc1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4713455 MADFMRMMYYGVIG-UHFFFAOYSA-N 357.244 4.274 5 40 FIBB COc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(C)c2[N+](=O)[O-])cc1 4797395 XLYYBRCVMMVOIF-UHFFFAOYSA-N 369.356 4.328 5 40 FIBB Cc1cccc2sc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)nc12 7725142 IMJXIIWWIANNMQ-UHFFFAOYSA-N 368.418 4.340 5 40 FIBB Cc1cccc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 32793954 WHWUVPLOZIGVGX-UHFFFAOYSA-N 361.419 4.082 5 40 FIBB Cc1ccc([C@@H]2OCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 72307308 WVFYLLSWJMGUFZ-AEFFLSMTSA-N 357.366 4.144 5 40 FIBB O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408621546 OOKOFNUFLSWAPS-UHFFFAOYSA-N 358.737 4.466 5 40 FIBB Cc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1[N+](=O)[O-] 7006633 HAMKDMSKXQWZBJ-ZDLGFXPLSA-N 358.353 4.401 5 40 FIBB Cc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 7641927 AJJGGGUTNMLLQQ-UHFFFAOYSA-N 369.402 4.044 5 40 FIBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 7763826 HAAGGLZMJDJXCJ-UHFFFAOYSA-N 372.475 4.466 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)Cc1ccco1 8916218 UCJTUDPSPYETMM-UHFFFAOYSA-N 354.337 4.170 5 40 FIBB Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] 225176783 WSWLYGMWDUDMAA-AWEZNQCLSA-N 354.406 4.188 5 40 FIBB COc1ccc(-c2nc(-c3ccc(OC)c([N+](=O)[O-])c3)cs2)cc1OC 948661 DILCHWUCKUCGOW-UHFFFAOYSA-N 372.402 4.411 5 40 FIBB O=C(Cn1c2ccccc2c2nc3ccccc3nc21)OCc1ccccc1 5508816 LXPKDIMUYJSKPI-UHFFFAOYSA-N 367.408 4.481 5 40 FIBB O=C(COc1ccccc1)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 6660337 YQTGNLYIYHRJQN-UHFFFAOYSA-N 363.344 4.103 5 40 FIBB CC(C)c1n[nH]c(SCc2cc(=O)oc3ccc4ccccc4c23)n1 9337592 UZTANJPOBOKXHJ-UHFFFAOYSA-N 351.431 4.480 5 40 FIBB Cc1csc(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 24832430 CJUSFFTXTAXIBO-UHFFFAOYSA-N 367.430 4.245 5 40 FIBB O=[N+]([O-])c1c(F)cccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 58358259 AYLMCQGBCMAEGP-UHFFFAOYSA-N 369.318 4.079 5 40 FIBB O=C(Cc1ccccc1)Nc1ccc2nc3[nH]c4ccccc4c3nc2c1 408975050 JAQFZKFENXDXBH-UHFFFAOYSA-N 352.397 4.446 5 40 FIBB Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2ccccc2)c1[N+](=O)[O-] 5178290 ROCMKROATMIRLL-UHFFFAOYSA-N 356.773 4.108 5 40 FIBB CC(=O)Oc1cn(-c2cccc(F)c2)c2nc(C)n3c4ccccc4nc3c12 5459726 QPKFYBYRAMNKMR-UHFFFAOYSA-N 374.375 4.199 5 40 FIBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1[N+](=O)[O-] 20140805 ZEIGYORXFNOFCV-UHFFFAOYSA-N 372.764 4.253 5 40 FIBB O=Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc12 226769245 CJGBWVZPOOHSDX-UHFFFAOYSA-N 360.325 4.311 5 40 FIBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OC 408624219 UZTCJDIHUDKECF-UHFFFAOYSA-N 364.785 4.216 5 40 FIBB Cc1c(-c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc2c1=O 3294621 ZDWIIFORAXYEFJ-UHFFFAOYSA-N 360.163 4.439 5 40 FIBB O=c1c([N+](=O)[O-])c(Oc2ccc(C3CCCCC3)cc2)nc2ccccn12 12921422 FKHXXMCENSESCB-UHFFFAOYSA-N 365.389 4.443 5 40 FIBB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14399386 AMARTSAHLBGCEH-INIZCTEOSA-N 364.785 4.053 5 40 FIBB CSc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] 32844983 CRKWHICLUWJIRJ-UHFFFAOYSA-N 366.402 4.026 5 40 FIBB O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 823224 CPYKMBKKORFWTA-UHFFFAOYSA-N 361.357 4.099 5 40 FIBB Cc1ccc(Cl)c2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 2723873 BAHAFEQFRIGBPR-UHFFFAOYSA-N 353.812 4.480 5 40 FIBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(O)c4ncccc34)nc2c1 5635289 YXIQQCCJXYYDPA-UHFFFAOYSA-N 352.375 4.017 5 40 FIBB CCCCCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 3092228 QAHLWEGTRRBTII-UHFFFAOYSA-N 358.394 4.425 5 40 FIBB COc1ccc(OCCOc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 5429545 HHMQTQZWXIHPIC-UHFFFAOYSA-N 358.177 4.368 5 40 FIBB COc1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c([N+](=O)[O-])c1 5542163 LDNKVSHDENLXPE-UHFFFAOYSA-N 372.421 4.227 5 40 FIBB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 12587228 FBLNUCKSPIGYGC-PHIMTYICSA-N 365.480 4.086 5 40 FIBB CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCc2ccccc21 47406656 BFJJSCNVFWPROQ-SFHVURJKSA-N 364.405 4.154 5 40 FIBB CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 1322579 JSAHWRWJVNYPMA-CKALXEAQSA-N 360.518 4.287 5 40 FIBB CC(=O)c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 3288307 SMBFHISXSZUWLK-UHFFFAOYSA-N 350.168 4.139 5 40 FIBB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1ccc([N+](=O)[O-])cc1 5559247 KUOQSYLZLCHDQV-RMKNXTFCSA-N 351.280 4.370 5 40 FIBB O=[N+]([O-])c1ccc(/C=C/c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 10311630 UMGQMTKYXKHTCG-RMKNXTFCSA-N 367.365 4.071 5 40 FIBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 12932165 BPRNZVSLHOBXMB-HNNXBMFYSA-N 364.401 4.313 5 40 FIBB C/N=c1\ccc2c(-c3ccccc3C(=O)O)c3ccc(NC)cc3oc-2c1 19594756 QCRIAIGCQBOVLG-ZVHZXABRSA-N 358.397 4.475 5 40 FIBB CCOC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1Cl 20492502 SKBJKQCOTPEIBO-BJMVGYQFSA-N 374.780 4.077 5 40 FIBB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc([N+](=O)[O-])cc1 28218948 TUDBLZOZEANTAT-UHFFFAOYSA-N 372.384 4.245 5 40 FIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868411 RTAIGXVNLVOMJP-SFHVURJKSA-N 374.824 4.070 5 40 FIBB Cc1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cccc1[N+](=O)[O-] 24578194 QEURUPPUIICVKO-MRXNPFEDSA-N 367.430 4.490 5 40 FIBB Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 8207548 GXAIPYFGCOVNKJ-UHFFFAOYSA-N 353.422 4.067 5 40 FIBB Cc1cc(C(=O)NCCCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 13648687 FCCOYUAASCOFSD-UHFFFAOYSA-N 356.422 4.053 5 40 FIBB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 14790083 GBVGZTBVLGCVIU-UHFFFAOYSA-N 358.703 4.197 5 40 FIBB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)(C)O2 218131836 WIXATWUGUPRSSX-INIZCTEOSA-N 354.406 4.244 5 40 FIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C12CC3CC(CC(C3)C1)C2 5042455 VJKUVROKRLVCCG-UHFFFAOYSA-N 357.435 4.359 5 40 FIBB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])n1 5970218 NKJXQHVSTCSUAJ-VIFPVBQESA-N 370.192 4.011 5 40 FIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10335514 XNTZUFYZQATTEJ-UHFFFAOYSA-N 356.422 4.472 5 40 FIBB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1 17076432 AUYVAEXPMGBTMB-UHFFFAOYSA-N 373.416 4.444 5 40 FIBB CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 225682995 WBHIAOQYVKBUIS-VEGGFIAOSA-N 354.406 4.193 5 40 FIBB Cc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408577435 ZMFDHNMBSPMSBD-SFHVURJKSA-N 368.462 4.303 5 40 FIBB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408907254 NOLCQALSRRYZSD-OYYQEPIJSA-N 362.429 4.440 5 40 FIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2246321 ROGGQUFATGQFMP-UHFFFAOYSA-N 361.449 4.210 5 40 FIBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)cc1C 5119507 MOLQRGUDKGTGRD-UHFFFAOYSA-N 356.430 4.072 5 40 FIBB COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1O 7746238 NCRWLENPPPULHC-ZZXKWVIFSA-N 358.375 4.098 5 40 FIBB Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)OCc1ccccc1 96191805 ILNWZUZBWVVYIQ-UHFFFAOYSA-N 363.344 4.146 5 40 FIBB Cc1nc(C)c(-c2ccc(SCc3ccc([N+](=O)[O-])cc3)nn2)s1 4358375 GLWCSXJXXOIQRV-UHFFFAOYSA-N 358.448 4.417 5 40 FIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 24864664 YUWLIYULAGYIOU-MRXNPFEDSA-N 367.449 4.024 5 40 FIBB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 30869749 QBYFDVAPMIAQCB-GOSISDBHSA-N 356.422 4.429 5 40 FIBB O=C(O)CCCCCNc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 45206851 LDJDKAOYAFJLCK-UHFFFAOYSA-N 368.393 4.195 5 40 FIBB Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1-c1ccccc1 59489588 CABQEBPQKFPOFP-UHFFFAOYSA-N 369.431 4.151 5 40 FIBB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222985703 LUZSFEHFCHHVTB-QGZVFWFLSA-N 358.394 4.016 5 40 FIBB O=Cc1ccc(-c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)o1 409182332 JYUXDTJFRLYMQQ-UHFFFAOYSA-N 351.314 4.024 5 40 FIBB Cc1ccccc1-n1c(C)nnc1SCc1cccc([N+](=O)[O-])c1C 40123075 KCHBRJVICSGBNR-UHFFFAOYSA-N 354.435 4.393 5 40 FIBB O=C(CCCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 40134239 LCAJAWCRDBJUBN-UHFFFAOYSA-N 350.321 4.158 5 40 FIBB