smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc2c3c(cc(-c4nn(C)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587098922 USCYDVZEKAWXLZ-UHFFFAOYSA-N 370.368 4.063 5 1 FIBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587500279 AWJZCYAGNNEHAF-HXUWFJFHSA-N 355.365 4.493 5 1 FIBF Nc1ccc(Br)cc1-c1nc2cc3ccccc3cc2[nH]c1=O 27655195 SIKZRKGHPMJNOC-UHFFFAOYSA-N 366.218 4.088 5 1 FIBF CC(C)COc1cccc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587566006 PCHXJAAVZRXTFE-UHFFFAOYSA-N 359.357 4.224 5 1 FIBF CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2c(cccc2OC)C1 26277457 OQFVFESDHDATCZ-LJQANCHMSA-N 354.450 4.373 5 1 FIBF COC(=O)[C@H](Cc1ccccc1)N=c1c2ccccc2[nH]c2ccccc12 2382236815 XYOKQAWZYCUNIE-NRFANRHFSA-N 356.425 4.006 5 1 FIBF N=c1[nH]c(-c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cs1 587022563 ZBJQURZTELPBDO-UHFFFAOYSA-N 371.809 4.328 5 1 FIBF Cc1cc(=O)cc2oc3cc(O)c(-c4c(C)cc(O)cc4O)c(C)c3nc1-2 165752811 RAUFRXOSBVUCEA-UHFFFAOYSA-N 363.369 4.002 5 1 FIBF in-vitro O=C1C[C@](CC[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1 587507962 DVPALIACEBTGJQ-OAQYLSRUSA-N 351.402 4.093 5 1 FIBF COC(O)=C1C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F 2356874842 YTMCTWONBYRCCU-ZDUSSCGKSA-N 356.300 4.188 5 1 FIBF Cc1c(Br)ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270741 RTMHTNDXFMSEDW-UHFFFAOYSA-N 360.211 4.327 5 1 FIBF O=[N+]([O-])c1cc2c(cc1-c1nc3ccccn3c1Nc1ccccc1)OCO2 4765242 ZMBLKHZCQRNVDU-UHFFFAOYSA-N 374.356 4.382 5 1 FIBF O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(F)cc3c12 39365321 KUILUHUEFPHZJR-UHFFFAOYSA-N 360.300 4.154 5 1 FIBF CC(C)=CCc1c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c2c1O 238785089 ZHPPISIUKDGCPJ-UHFFFAOYSA-N 352.342 4.318 5 1 FIBF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 140116969 VNKSUONYUGXCCC-WFXMLNOXSA-N 352.434 4.326 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@H]3C2)cc1C(F)(F)F 169718531 DVCCDJPGAPRKGE-OCAPTIKFSA-N 354.284 4.180 5 1 FIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587273754 LJQZOINQKSPCFZ-ZETCQYMHSA-N 373.722 4.144 5 1 FIBF COc1ccccc1-c1nc2ccccc2c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1857635438 USEAKORJENDYDU-UHFFFAOYSA-N 372.384 4.379 5 1 FIBF CC[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 2970344 MBEOUTOHYLDPFV-LLVKDONJSA-N 350.447 4.227 5 1 FIBF CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 5848362 PVLNLHQHWKFLFQ-IBGZPJMESA-N 352.346 4.132 5 1 FIBF CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 13826795 SBWBKVBFKWCOKQ-UHFFFAOYSA-N 367.405 4.036 5 1 FIBF O=C(c1cc(F)ccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587280021 GXMTUCGZWLYBNS-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])O2 587382730 RLWJBWQCPWYTFB-HNNXBMFYSA-N 366.295 4.211 5 1 FIBF COc1c(Cl)ccc2c(=O)c3ccc(C(C)(C)C)cc3n(CC(=O)O)c12 1857555046 NTQTUCAAZNOLPM-UHFFFAOYSA-N 373.836 4.199 5 1 FIBF Cc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cccc1[N+](=O)[O-] 587260796 FRFCRFVRMIYTNS-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF COc1ccc(-c2csc3ncn4c(=O)c5ccccc5nc4c23)cc1 45350697 YRKDAFCXVIOEMP-UHFFFAOYSA-N 359.410 4.133 5 1 FIBF CC(=O)Oc1c2oc3ccc(Cl)cc3c(=O)c2c(O)c2ccsc12 5831580 BZLVRSJMEKBCTK-UHFFFAOYSA-N 360.774 4.445 5 1 FIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 103227252 FOJQLTRBJHZZKU-QYEXWFEISA-N 350.526 4.373 5 1 FIBF COC(=O)c1cccc2c[n+]3ccc4c5ccc(OC)cc5[nH]c4c3cc12 238750663 ZSZFATLYVUDVPU-UHFFFAOYSA-O 357.389 4.008 5 1 FIBF Cn1nc(C(F)(F)F)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587118092 NQHAVZYYASAQOT-UHFFFAOYSA-N 368.322 4.079 5 1 FIBF CCN1CCc2c(c3cc(OC)ccc3c3cc(OC)c(OC)cc23)C1 95573274 RPAZFOAUZJFSGO-UHFFFAOYSA-N 351.446 4.397 5 1 FIBF COC(=O)C1=Cc2cc([N+](=O)[O-])c(Cl)cc2N([C@@H](C)c2ccccc2)C1 1772615410 ZGIZTEVABAKSFN-LBPRGKRZSA-N 372.808 4.386 5 1 FIBF CCN(CC)CCn1nc2c3cccc(OC)c3sc3c(N)ccc1c32 29311853 YNPQZKMWYHZJCR-UHFFFAOYSA-N 368.506 4.337 5 1 FIBF O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133218 MTCWFGHXFJXVJN-UHFFFAOYSA-N 354.124 4.148 5 1 FIBF COc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br 586978044 XQFYZDCFNSVGIM-VURMDHGXSA-N 374.194 4.413 5 1 FIBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587272872 BDWMWEPOGVTYMV-UHFFFAOYSA-N 357.373 4.331 5 1 FIBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2 28825413 MMJNDRSEERCWAQ-YOFSQIOKSA-N 355.458 4.193 5 1 FIBF CC(C)[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197747 MBXYIKWMZMTBIG-CQSZACIVSA-N 366.393 4.174 5 1 FIBF COc1ccccc1Nc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587240402 JOCIYTQMHTXFBR-UHFFFAOYSA-N 361.361 4.285 5 1 FIBF COc1ccc(Cl)c2c1CCN[C@]2(C)c1c[nH]c2ccc([N+](=O)[O-])cc12 963258669 PYBYRUIXNAZQEE-LJQANCHMSA-N 371.824 4.147 5 1 FIBF CCCCCCc1ccc(O)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 28248999 SZODTOZYPAQNFG-UHFFFAOYSA-N 356.422 4.353 5 1 FIBF Cc1nc2ccccc2c2nc(NC(C)(C)C)n(-c3ccccc3)c(=O)c12 82157449 RXYSJBILGPAZTD-UHFFFAOYSA-N 358.445 4.453 5 1 FIBF C[C@@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95572619 UAAPDNSFAQQPGH-NXEZZACHSA-N 355.441 4.143 5 1 FIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587270953 UZMYBBOIHHQXLL-LBPRGKRZSA-N 351.193 4.020 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2[N+](=O)[O-])N1 587748827 WSQIIVORLBNESZ-FVMDXXJSSA-N 365.202 4.120 5 1 FIBF O=[N+]([O-])c1ccc(-c2nnc(NC34CC5CC(CC(C5)C3)C4)s2)cc1 28654856 WQCVRYMOGZHNFV-UHFFFAOYSA-N 356.451 4.494 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587146113 ZWYDOIYJNQZKAO-UHFFFAOYSA-N 352.300 4.478 5 1 FIBF O=[N+]([O-])c1cn2c(n1)S[C@@H](COc1ccc(Oc3ccccc3)cc1)C2 1772657548 SBGAHYUOJSRTHY-MRXNPFEDSA-N 369.402 4.137 5 1 FIBF COc1cc(C)c(N)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587250531 YCFCFBSRERKWEX-UHFFFAOYSA-N 355.401 4.226 5 1 FIBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1Cl 587644571 FNKZTLSUHFHWHD-UHFFFAOYSA-N 372.764 4.137 5 1 FIBF CCC=CCc1c(O)cc2oc3oc4cc(O)ccc4c3c(=O)c2c1O 2356622387 DXXYUSZBFIXKEM-UHFFFAOYSA-N 352.342 4.318 5 1 FIBF O=[N+]([O-])c1c(CSc2ccccc2)nc2ccc(Br)cn12 96939374 LQDRZORSPLRALP-UHFFFAOYSA-N 364.224 4.297 5 1 FIBF Cc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1[N+](=O)[O-] 587029588 QTBRXNWRCBMRKA-UHFFFAOYSA-N 366.402 4.482 5 1 FIBF C[C@@H]1CCc2sc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2C1 587032768 AIZZGHULYJQSNT-MRVPVSSYSA-N 358.379 4.233 5 1 FIBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C=O)cc1 653700507 OSNUAPBMOKUUSL-UHFFFAOYSA-N 364.188 4.421 5 1 FIBF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587511236 ODYRDCRVAXIKJU-NRFANRHFSA-N 367.401 4.363 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782990 VDDPUYWTUAUXFH-UHFFFAOYSA-N 361.357 4.423 5 1 FIBF O=c1c2ccccc2oc2c(CN3CCN(c4ccccc4)CC3)cccc12 1857614841 HAHMXQUZQLUGDZ-UHFFFAOYSA-N 370.452 4.268 5 1 FIBF COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c(O)c1CC=C(C)C 28764731 CWJFCARCTDTMCB-UHFFFAOYSA-N 370.401 4.186 5 1 FIBF CCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174027 PKHZDESZRXGBMT-UHFFFAOYSA-N 353.382 4.227 5 1 FIBF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 103270919 VNKSUONYUGXCCC-ZSXPUABSSA-N 352.434 4.326 5 1 FIBF O[C@H]1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 586904922 WRUZZXDUOKTROT-IRXDYDNUSA-N 352.397 4.228 5 1 FIBF O=[N+]([O-])c1cnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587065076 SIBGBCMRIKCOHK-UHFFFAOYSA-N 370.752 4.359 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587159183 LPDVTRAHNNSTJV-UHFFFAOYSA-N 373.237 4.347 5 1 FIBF COCCNc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587261453 BVKZJFMWVRBBAR-UHFFFAOYSA-N 368.437 4.494 5 1 FIBF Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C 587264080 AODCXOAYJKZFRB-NSHDSACASA-N 355.354 4.169 5 1 FIBF C[C@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1ccc(C(F)(F)F)n1 587280480 YFWOSCXFCWWNIB-MRVPVSSYSA-N 353.256 4.000 5 1 FIBF O=C1C[C@H](c2cc([N+](=O)[O-])c(F)cc2F)Oc2c1ccc1c2CCCC1 587505376 MNOXNWBLOVKKPZ-GOSISDBHSA-N 359.328 4.458 5 1 FIBF CCN(CC)Cc1cccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 103170033 BAAKRDRUYYREGQ-UHFFFAOYSA-N 352.390 4.210 5 1 FIBF COC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048013 OYTDZCGJYLMKKE-CLTKARDFSA-N 357.753 4.082 5 1 FIBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4cccc(C)n4c32)cc1 103232301 PCLCONSEVVKTDI-UHFFFAOYSA-N 369.424 4.168 5 1 FIBF O=[N+]([O-])c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587134241 KVSCAFWZOKBMPO-SNAWJCMRSA-N 355.222 4.337 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3cc([N+](=O)[O-])ccc3o1)O2 587388609 DTYJRHBAHPRKFA-IBGZPJMESA-N 352.346 4.112 5 1 FIBF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 13612112 VBGDUXMEPZYIGT-UHFFFAOYSA-N 374.356 4.029 5 1 FIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1F 587085427 RXOFFOVHXAHDHQ-UHFFFAOYSA-N 369.743 4.388 5 1 FIBF COc1ccc(C=O)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587788041 ULRDQUHHLFAPGF-UHFFFAOYSA-N 354.369 4.147 5 1 FIBF O=c1c2ccc3ccccc3c2oc(=S)n1-c1ccc([N+](=O)[O-])cc1 169323642 XJJLHHLRRJGLFW-UHFFFAOYSA-N 350.355 4.375 5 1 FIBF Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2cc1[N+](=O)[O-] 587079631 JPESTHWFPNZERZ-ZDUSSCGKSA-N 369.812 4.157 5 1 FIBF CC(=O)N[C@@H](CC(=O)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 72114262 LGGUUWZVYOVQFT-FQEVSTJZSA-N 362.385 4.198 5 1 FIBF O=C(c1ccc(-c2csnn2)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280701 TWLCCHMZENLFGC-UHFFFAOYSA-N 351.343 4.091 5 1 FIBF CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c(C)n1 587645235 LSGHNJOOAYQTKN-UHFFFAOYSA-N 366.299 4.013 5 1 FIBF N[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]1c1ccccc1F 587155699 KJGHQTGEEASITJ-DMZKTXOQSA-N 369.403 4.140 5 1 FIBF Nc1cc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2cc1N 587272266 QUNSPWCLGQWVES-UHFFFAOYSA-N 361.361 4.095 5 1 FIBF CC(=O)Nc1ccccc1-c1cn2c3ccccc3c3ccnc(c1=O)c32 1857757448 CDFBVKPDCPGDCF-UHFFFAOYSA-N 353.381 4.064 5 1 FIBF COC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1cccc([N+](=O)[O-])c1 27728187 ZFFNFBMBLAAUBL-QGZVFWFLSA-N 356.403 4.301 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc4c(s3)CCC4)nc12 587033595 KAPUDCNIPFTCKY-UHFFFAOYSA-N 364.224 4.451 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)c(F)cc3[nH]2)c1 587270389 NGTHOEXSEZUJJC-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc3cc([N+](=O)[O-])ccc13)O2 587389806 NJPATBVRZKLFRM-SFHVURJKSA-N 364.357 4.051 5 1 FIBF COc1cc2c3c(c1)O[C@](C)(c1cc4cc([N+](=O)[O-])ccc4o1)[C@@H](C2)C3=O 587431854 HOPUSHAQOGNQNM-XOBRGWDASA-N 365.341 4.012 5 1 FIBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(NC(C)=O)c([N+](=O)[O-])c1 963231963 BVLUDPISLBJZHW-QKKBWIMNSA-N 367.449 4.299 5 1 FIBF CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1OC 13741637 PGXHNDSAAMHSBC-UHFFFAOYSA-N 366.522 4.298 5 1 FIBF Cc1c(-c2nc3ccnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979462 CVAKRLCVIAXSJD-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Cl)cc1[N+](=O)[O-] 587648870 ILLPQCSRNHBBJO-UHFFFAOYSA-N 364.810 4.108 5 1 FIBF COc1ccc([C@H](c2ccccc2)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587935756 IZMRTMDFXGGJIO-SFHVURJKSA-N 360.373 4.055 5 1 FIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccncc3)oc12 2382219909 UMOCVYFTSVZZHK-UHFFFAOYSA-N 363.369 4.034 5 1 FIBF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644424 CCWVMHBVDGDRQY-UHFFFAOYSA-N 358.781 4.497 5 1 FIBF CC(C)(CC[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1)[N+](=O)[O-] 962713335 RHXORUWOTPTLAZ-CXAGYDPISA-N 352.475 4.066 5 1 FIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)cc1 587272442 SIKOLFLRTWVQNK-UHFFFAOYSA-N 367.752 4.374 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(COc1ccccc1[N+](=O)[O-])CC2=O 587468108 AWEFRKIVUPNHFW-FQEVSTJZSA-N 371.389 4.056 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N(C)C)CC2=O 587473085 PSNYFWYRFLVNDA-LJQANCHMSA-N 370.405 4.025 5 1 FIBF Cc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076569 WTKVSTRVPFTIFS-UHFFFAOYSA-N 353.769 4.286 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1F 587230734 YHMUQSCAWUQMHK-UHFFFAOYSA-N 363.352 4.284 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631566 PBLWJZRVNGUELC-KRWDZBQOSA-N 364.760 4.267 5 1 FIBF COC(=O)c1cccc2nc3cc(C(=O)c4ccc(C)cc4)ccc3nc12 103221446 KQISXHKKWMSUDJ-UHFFFAOYSA-N 356.381 4.109 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](Cc1cccs1)c1ccccc1 98085657 UZBLQVFRPBBGJQ-QGZVFWFLSA-N 357.435 4.162 5 1 FIBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587235380 KMNHATMRAZBHLG-CHWSQXEVSA-N 360.414 4.022 5 1 FIBF O=[N+]([O-])c1cccc(-n2cc(CSc3nc4ccccc4s3)nn2)c1 73200059 UQZAIWDSVIOJEB-UHFFFAOYSA-N 369.431 4.078 5 1 FIBF COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc1O 73198663 HUOKHGKIAMLFBK-UHFFFAOYSA-N 364.357 4.228 5 1 FIBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)C2 586885332 LYFMLAIYPZPKFM-MELADBBJSA-N 354.413 4.298 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S)ccc3F)[nH]c12 587141333 PJMKYCHMOAVEOD-UHFFFAOYSA-N 368.187 4.328 5 1 FIBF COc1cc2c(OC)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 14686707 MUGGBHXVXRXIKE-UHFFFAOYSA-N 363.369 4.296 5 1 FIBF biogenic Cc1ccc2oc(=O)c3ccc(-c4cc5ccccc5oc4=O)nc3c2c1 103197454 AZZXXDJGYVYUIE-UHFFFAOYSA-N 355.349 4.423 5 1 FIBF C[C@H](OCc1ccccc1O)c1cccc2nc3c(C(=O)O)cccc3nc12 238778384 XEIYPSVQTYMLFU-ZDUSSCGKSA-N 374.396 4.465 5 1 FIBF COCCOc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1[N+](=O)[O-] 587265322 OPJONHLJVBSDEO-UHFFFAOYSA-N 369.421 4.461 5 1 FIBF COc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1 963114037 VVLXKAHMLXCEPR-INIZCTEOSA-N 353.205 4.145 5 1 FIBF c1ccc2nc3c(nc2c1)c1ccccc1n3CCOCCN1CCCCC1 1772603922 GOZUNXRJXVORPH-UHFFFAOYSA-N 374.488 4.240 5 1 FIBF COc1ccc2[nH]c3ccc4cc[n+](CCN5CCCCC5)cc4c3c2c1 6018872 UTTSSAIXHRXMII-UHFFFAOYSA-O 360.481 4.256 5 1 FIBF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 13743592 ZLENGVWEOQMCOO-JKWVGCSGSA-N 352.434 4.326 5 1 FIBF COc1cc(CC[N+](C)(C)[O-])c2ccc3c(OC)cccc3c2c1OC 15216308 VQHJGXLRCBBBTQ-UHFFFAOYSA-N 355.434 4.136 5 1 FIBF Cc1c(C(=O)O)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1 82157729 QCONXDTVGZBBCZ-UHFFFAOYSA-N 350.374 4.427 5 1 FIBF COc1ccc(OC)c(-c2nnc(-c3ccc(C)c([N+](=O)[O-])c3)s2)c1 299861276 ICUFDKHRILBDLL-UHFFFAOYSA-N 357.391 4.106 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(F)c(F)c2[nH]1 587109447 KBCDCKQISPXXSS-UHFFFAOYSA-N 357.238 4.359 5 1 FIBF COc1cccc(-c2nc3ccccc3c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)c1 1857645431 NQVLXXVFNQHZKR-UHFFFAOYSA-N 372.384 4.379 5 1 FIBF COc1cc(OC)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047474 IKUXGGRTCHEQMA-XQRVVYSFSA-N 359.769 4.312 5 1 FIBF COc1c2occc2c(CNc2ccc([N+](=O)[O-])cc2)c2ccc(=O)oc12 64559190 MZCWOOKJUHFYKF-UHFFFAOYSA-N 366.329 4.068 5 1 FIBF CCOC(=O)c1cc(-c2cccc(OCc3ccccc3[N+](=O)[O-])c2)on1 45245054 NDHXZAWWHDFHCF-UHFFFAOYSA-N 368.345 4.006 5 1 FIBF O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Cl 587079969 JFDZWUJLLGZAOE-AWEZNQCLSA-N 350.161 4.454 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)O2 587390842 RTNBPRTUTZNGQX-LJQANCHMSA-N 364.357 4.452 5 1 FIBF Nc1nc2oc3ccc(C4CCCCCC4)cc3c(=O)c2cc1C(=O)O 1857764971 FKOSZOLEWMIKNF-UHFFFAOYSA-N 352.390 4.059 5 1 FIBF COC(=O)Cc1cccc2c(=O)c3ccc(OCC=C(C)C)c(C)c3oc12 27554399 OJTAPMZDJWQOHJ-UHFFFAOYSA-N 366.413 4.315 5 1 FIBF CN(C)CC(C)(C)CNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 28979843 OAQZTXDJXFUQNH-UHFFFAOYSA-O 361.513 4.299 5 1 FIBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587275161 XGWKGQQDRNORHN-UHFFFAOYSA-N 351.391 4.023 5 1 FIBF O=[N+]([O-])c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587040158 GELXJQFQIUPMTF-ZBFHGGJFSA-N 374.853 4.071 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(CCc3ccccc3F)[nH]c12 587149264 JRZQDSYINVILFW-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc([N+](=O)[O-])cc31)CC2=O 587469371 DBRGZLNHJVEKCT-OAQYLSRUSA-N 367.401 4.450 5 1 FIBF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1c[nH]c2ccc([N+](=O)[O-])cc12 963258667 PYBYRUIXNAZQEE-IBGZPJMESA-N 371.824 4.147 5 1 FIBF Cc1ccc(Cl)cc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2498683 UHGLJKRBYOWEJL-RDTXWAMCSA-N 373.796 4.326 5 1 FIBF Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O 38544449 FKGFNRQGWUGKCE-UHFFFAOYSA-N 374.327 4.165 5 1 FIBF C[C@@H](Sc1ncccn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586962782 AOGXFOMDXBBSTE-LLVKDONJSA-N 358.430 4.303 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cccc1[N+](=O)[O-])CC2=O 587468224 CFTUBONPPNFPTK-FQEVSTJZSA-N 355.390 4.442 5 1 FIBF COc1cccc([C@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 82162286 WQZMLWGVIABJEZ-ZDUSSCGKSA-N 350.378 4.234 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1F 587142724 MDYMBQGIZXTELR-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF COc1ccc([C@H](c2ccccc2)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587938030 RXBDFYGZNPDZJX-SFHVURJKSA-N 360.373 4.055 5 1 FIBF O=[N+]([O-])c1c(CO)nc2c(Sc3ccc(Cl)cc3)cc(Cl)cn12 2382246856 SWPIJFHOEBRKTN-UHFFFAOYSA-N 370.217 4.193 5 1 FIBF C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21 64549648 PMHXHEPIARLWRL-UHFFFAOYSA-O 365.888 4.116 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177213 CTEWMFCHCGVSIH-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF COc1ccc(C(=O)n2c(-c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 40848995 PDMWBGZFIGNBGL-UHFFFAOYSA-N 373.368 4.309 5 1 FIBF O=[N+]([O-])c1cncc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149845 NJXNWVWXTWSBQA-QGZVFWFLSA-N 363.352 4.207 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)O2 587381426 IQPOGIXEMJZRHT-OAHLLOKOSA-N 366.295 4.211 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F 587151656 SMPXLCUEVYSQIJ-UHFFFAOYSA-N 355.247 4.208 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Cl 587154884 FIKXUISGGGYQNK-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])CC2=O 587466362 KQNFNWSCIOMGEH-LJQANCHMSA-N 359.353 4.273 5 1 FIBF Oc1ccccc1C1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 586897226 VVYDBRHDRGFKRV-UHFFFAOYSA-N 352.397 4.445 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccccc1[N+](=O)[O-])CC2=O 587468110 AWEFRKIVUPNHFW-HXUWFJFHSA-N 371.389 4.056 5 1 FIBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587047328 GNRWJMBNDJVRJK-DUXPYHPUSA-N 362.704 4.342 5 1 FIBF O=C1C[C@H](c2c(F)cc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 587503519 HEMDWEZMFBDIHS-QGZVFWFLSA-N 359.328 4.458 5 1 FIBF O=[N+]([O-])c1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3O)n[nH]2)cc1 29564523 LHTRROGMCFADRK-UHFFFAOYSA-N 351.149 4.059 5 1 FIBF N=C(N)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272378 RKPUTLRJBCIWQV-UHFFFAOYSA-N 373.372 4.214 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c([N+](=O)[O-])cc1F)CC2=O 587467328 SLZGUMXTQZHHFE-QGZVFWFLSA-N 363.316 4.238 5 1 FIBF Cc1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979410 CGTUQLJLPYTXRA-UHFFFAOYSA-N 372.182 4.085 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@](O)(c1ccccc1)C(F)(F)F 587645027 HSZQQJCLRGCHIP-MRXNPFEDSA-N 350.296 4.183 5 1 FIBF CC(C)(CC[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1)[N+](=O)[O-] 962713338 RHXORUWOTPTLAZ-DYVFJYSZSA-N 352.475 4.066 5 1 FIBF COc1ccc(C(=O)CSc2nc3ccccc3s2)cc1[N+](=O)[O-] 39758239 ZGYUAHUJDVGDPJ-UHFFFAOYSA-N 360.416 4.188 5 1 FIBF biogenic O=C(O)/C=C/c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586881709 YOLDZVSKXOXAGL-MDZDMXLPSA-N 366.380 4.424 5 1 FIBF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[N+](C)(C)CCS(=O)(=O)O 26578170 WCRGQNSSRXPLFE-NWLVNBMCSA-O 358.568 4.370 5 1 FIBF O=[N+]([O-])c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039845 GELXJQFQIUPMTF-GOEBONIOSA-N 374.853 4.071 5 1 FIBF O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccc(Cl)cc12 169723361 OORGGPLOFKSOKB-UHFFFAOYSA-N 355.717 4.355 5 1 FIBF COC(=O)Cc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587783050 FCNDYXVJYRKGOF-UHFFFAOYSA-N 368.396 4.042 5 1 FIBF O=[N+]([O-])c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)cc1 587623576 WRTKWBCWEVAKCL-UHFFFAOYSA-N 373.166 4.088 5 1 FIBF O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 653849882 JECSBACSLWGUKO-UHFFFAOYSA-N 374.403 4.314 5 1 FIBF Cc1oc(-c2ccc(F)cc2[N+](=O)[O-])nc1C(=O)OCc1ccccc1 49067020 CHZZVHKSSXNJGW-UHFFFAOYSA-N 356.309 4.054 5 1 FIBF Cc1c(Br)ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160390 QFKGYVTYQYPQMJ-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(OC)c([N+](=O)[O-])c1 587261219 ZFICNLYNCLUKSH-UHFFFAOYSA-N 353.378 4.034 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc([N+](=O)[O-])c13)CC2=O 587471454 QPAXQNWYWKNQQR-GOSISDBHSA-N 366.373 4.441 5 1 FIBF O=C(Nc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 164965856 MKLDZCCNVHZDQQ-KOMQPUFPSA-N 373.384 4.246 5 1 FIBF O=c1c2ccccc2oc2cc(OCCCCCN3CCCC3)cc(O)c12 299830015 LSRNCTGAPUWGFR-UHFFFAOYSA-N 367.445 4.297 5 1 FIBF c1ccc2c(c1)OC[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 586918454 MUMWWFCTGBYCAT-INIZCTEOSA-N 354.369 4.172 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])s2)N1 587849337 SUZAJGOKKQNBCL-WJWGPLDTSA-N 371.231 4.182 5 1 FIBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N@@+]4(C)O3)[C@@H]12 261183691 WRWFIBSHOMVGDI-JFTNEZBGSA-N 360.518 4.002 5 1 FIBF Cc1cc2ccn(C)c2c2c3c(c4c5ccc(F)cc5[nH]c4c12)C(=O)NC3=O 13535033 SXBXZPMHHKFUPC-UHFFFAOYSA-N 371.371 4.297 5 1 FIBF Cc1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1[N+](=O)[O-] 587135914 IBBYKBGKVOLNTJ-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF C[C@H]1CCC[C@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95572618 UAAPDNSFAQQPGH-UWVGGRQHSA-N 355.441 4.143 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F 587150043 YMERZQOHGZOEPT-UHFFFAOYSA-N 371.246 4.088 5 1 FIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510971 COYNQINTKBSWRY-IBGZPJMESA-N 353.374 4.189 5 1 FIBF Cc1oc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268979 OYPMGKJBKQEXRY-UHFFFAOYSA-N 356.563 4.455 5 1 FIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587269902 GDLBMTWQOWWOHD-LBPRGKRZSA-N 351.193 4.020 5 1 FIBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587509863 JYVQMDIPTCTQSM-LJQANCHMSA-N 353.374 4.189 5 1 FIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 587273209 QRRZYRLHXHVDGL-UHFFFAOYSA-N 367.752 4.325 5 1 FIBF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 100834251 VNKSUONYUGXCCC-KOUHRCEDSA-N 352.434 4.326 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)ccnc2[nH]1 587109439 JROWIDVOYVUCMR-UHFFFAOYSA-N 356.691 4.129 5 1 FIBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccc(Cl)c1 587644584 GBIPICNPNUFMKR-UHFFFAOYSA-N 372.764 4.137 5 1 FIBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccc(Cl)c1 587645169 YOSYJVXNIGIJPL-UHFFFAOYSA-N 372.764 4.137 5 1 FIBF O=[N+]([O-])c1c([C@@H](O)c2cc(Cl)cc(Cl)c2O)[nH]c(Cl)c1Cl 14684495 WKEODUMIDZIAED-JTQLQIEISA-N 371.991 4.324 5 1 FIBF biogenic,in-vitro C[C@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95572617 UAAPDNSFAQQPGH-AOOOYVTPSA-N 355.441 4.143 5 1 FIBF COc1ccc2c(c1)c(NCCN(C)C)nc1c3ccc(O)cc3ccc21 13600448 XSCQCTPIEBILFK-UHFFFAOYSA-N 361.445 4.229 5 1 FIBF O=C(c1ccccc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772622430 ZBHBPLMUZIZRDP-UHFFFAOYSA-N 367.452 4.350 5 1 FIBF CC[N+](CC)(CC)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 1633593 MNEVBSHWBAIVNQ-UHFFFAOYSA-N 371.526 4.255 5 1 FIBF COc1cc2c3c(c1)O[C@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587430699 BEWYGMAEIQNJRD-KKSFZXQISA-N 367.401 4.087 5 1 FIBF O=C1C[C@]2(C=COc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587511502 HARZAZWPZJQVFT-NRFANRHFSA-N 363.369 4.240 5 1 FIBF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645159 XYXQGBDASAEYHX-UHFFFAOYSA-N 372.764 4.142 5 1 FIBF CC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccc([N+](=O)[O-])cc1 66078843 NRHWHYDIWIYRPQ-OAQYLSRUSA-N 359.385 4.446 5 1 FIBF O=C(c1cccc(OC(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280107 JGRGYUQAFRWOJS-UHFFFAOYSA-N 351.236 4.471 5 1 FIBF COc1cccc(C)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587786506 MBPMRXAKIUHSNN-UHFFFAOYSA-N 362.183 4.218 5 1 FIBF O=C(c1cc(Br)ccc1F)c1coc2cc([N+](=O)[O-])ccc12 587280165 MFQXSXSXOKSZLW-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF O=[N+]([O-])c1ccc(-c2cs/c(=N/C=C/c3ccc([N+](=O)[O-])s3)[nH]2)cc1 169338322 JPJOZVOMEOKJGH-BQYQJAHWSA-N 374.403 4.193 5 1 FIBF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587068769 DCCNBOCKYHMADB-SNVBAGLBSA-N 365.220 4.063 5 1 FIBF Cc1cnc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587514427 XUJBJYRGINHTPG-HXUWFJFHSA-N 352.390 4.058 5 1 FIBF CSc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587268638 AHSYMDFNVHCRCI-UHFFFAOYSA-N 354.435 4.460 5 1 FIBF O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCOc3ccc(Cl)cc32)cc1 84712421 SQWYPEJSOVZQSZ-AWEZNQCLSA-N 363.826 4.058 5 1 FIBF CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 2040209 KJZNHLRQOUWNFF-UHFFFAOYSA-N 368.238 4.105 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc([N+](=O)[O-])c1 587612058 INCRMSDCXCYFMX-QAPCUYQASA-N 369.354 4.065 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587627378 UBFYIHPNBXEWLE-SFHVURJKSA-N 360.797 4.437 5 1 FIBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449292 CBOUBUMHWAUFNU-KUHUBIRLSA-N 371.414 4.204 5 1 FIBF Cc1ccccc1-c1ccc([C@H]2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc1 40916471 HPGLFJZJIHFMIT-HXUWFJFHSA-N 359.385 4.424 5 1 FIBF c1ccc(COCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587566318 GQGRODJFDYJZBK-UHFFFAOYSA-N 354.413 4.419 5 1 FIBF CCN(CCNc1ccc(C)c2sc3ccccc3c(=O)c12)C(C)(C)O 11616960 PAHAAWFCYAFPTF-UHFFFAOYSA-N 370.518 4.185 5 1 FIBF in-man Cc1cccc([C@@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 13473022 DHGMQDJRQOVYBL-FQEVSTJZSA-N 351.406 4.214 5 1 FIBF Cc1cc(Br)ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 586981044 JZIJBBRGIDXJGG-UHFFFAOYSA-N 362.183 4.121 5 1 FIBF O=C1c2ccccc2-c2cc(-c3ccncc3[N+](=O)[O-])nc3cccc1c23 587105297 XEHLJNMERNYXQW-UHFFFAOYSA-N 353.337 4.416 5 1 FIBF Nc1c(F)c(F)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1F 587136739 LIBAGLOSLWHMNI-UHFFFAOYSA-N 365.318 4.326 5 1 FIBF COc1ccc([C@@H](c2ccccc2)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587935755 IZMRTMDFXGGJIO-GOSISDBHSA-N 360.373 4.055 5 1 FIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)cc1 587271961 LXPYDJUASGDULO-UHFFFAOYSA-N 350.309 4.465 5 1 FIBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501194 ARRCDZHOGVWPGL-FQEVSTJZSA-N 355.365 4.493 5 1 FIBF O=C1C[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587509850 JVKRPJDYGCTBNV-KRWDZBQOSA-N 368.345 4.088 5 1 FIBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 586882581 YRVKGDDYXNJCSD-UHFFFAOYSA-N 372.384 4.381 5 1 FIBF Cc1cc(Br)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1 587269796 GXMPTNSUCIGJFK-UHFFFAOYSA-N 360.211 4.327 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)O2 587388469 CHZMGCYNKYAAQG-IBGZPJMESA-N 364.357 4.452 5 1 FIBF CS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2)cc1 28005670 SZLXODFNYJHGLI-UHFFFAOYSA-N 353.399 4.332 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1F 587134598 NSYSLVXBPXZXOW-UHFFFAOYSA-N 361.251 4.122 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)O2 587380308 DFDAIXJBKCIGGN-HNNXBMFYSA-N 366.295 4.211 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)c3ccc([N+](=O)[O-])cc31)O2 587390853 SBPOAVAQKQNDIQ-FQEVSTJZSA-N 352.390 4.027 5 1 FIBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cc1 587644733 BJPXWZLYLPWSMQ-UHFFFAOYSA-N 364.279 4.497 5 1 FIBF COc1cncc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272583 VQVGNYDOBXQQEF-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF Cc1oc(-c2ccccc2[N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCC2 72181625 WZRJXWMGEUXQNW-UHFFFAOYSA-N 369.402 4.361 5 1 FIBF COc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 68584001 DEKWVQRZQSCJRH-UHFFFAOYSA-N 372.362 4.379 5 1 FIBF biogenic O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccsc3)[nH]c12 587024822 DNCCPKQKNRKEQU-OWOJBTEDSA-N 350.197 4.466 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587196434 SRHHJLMXBVFTGU-UHFFFAOYSA-N 359.389 4.073 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1F 586895073 NMWRYXHNMBUQAP-UHFFFAOYSA-N 363.348 4.437 5 1 FIBF COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cccc([N+](=O)[O-])c1 587631803 VEGDKWAKRJGZTN-UHFFFAOYSA-N 362.744 4.251 5 1 FIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587744567 HAJMXLVSOQHOLE-LYOVBCGYSA-N 373.266 4.173 5 1 FIBF COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1C(C)(C)[C@H](C)O2 28764054 NXSKFRVGWOFNNM-JTQLQIEISA-N 370.401 4.031 5 1 FIBF biogenic Cc1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 587116531 GGSFRSCRSQLWCD-UHFFFAOYSA-N 373.722 4.005 5 1 FIBF O=C(Nc1ccccc1Cl)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587060260 IKMAVQYERICNPS-UHFFFAOYSA-N 351.149 4.030 5 1 FIBF CNc1c(F)cccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587135749 NQWFRZXKORWZEV-UHFFFAOYSA-N 365.162 4.081 5 1 FIBF CC(C)Oc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 653870689 HJTZAGXRVSGSAM-UHFFFAOYSA-N 373.390 4.351 5 1 FIBF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc([N+](=O)[O-])cc1Cl 963270899 RVRPCCYKFNIZHE-MRXNPFEDSA-N 353.205 4.145 5 1 FIBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587500277 AWJZCYAGNNEHAF-FQEVSTJZSA-N 355.365 4.493 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@](O)(c1ccccc1)C(F)(F)F 587645478 WNDYXJLMRCZEAN-INIZCTEOSA-N 350.296 4.183 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1 587579038 XTJMEQDOSDNNIO-XLIONFOSSA-N 363.325 4.003 5 1 FIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(F)cnc4[nH]3)c2)cc1 587271494 DEXJXSPIJQEOIB-UHFFFAOYSA-N 350.309 4.465 5 1 FIBF O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2c([nH]c3ccccc23)C1 2382257912 DSIJLVVVUCMKMM-UHFFFAOYSA-N 370.796 4.320 5 1 FIBF O=[N+]([O-])c1ccc(F)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1F 963121571 NPHFTWHHHYHUKQ-OAHLLOKOSA-N 359.159 4.415 5 1 FIBF Cc1cc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2cc1[N+](=O)[O-] 587020648 AEEKBURSJHKCRG-UHFFFAOYSA-N 350.403 4.494 5 1 FIBF O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccc3ccccc3c2o1 1857566854 CFTPEOODFHQZEI-UHFFFAOYSA-N 370.452 4.268 5 1 FIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccco3)oc12 2382223144 BMKHLBYRDLCJKA-UHFFFAOYSA-N 352.342 4.232 5 1 FIBF O=c1c2ccccc2oc2cc(-c3ccc(CN4CCOCC4)cc3)ccc12 36388929 HFIVLYFJBBOIES-UHFFFAOYSA-N 371.436 4.445 5 3 FIBF CN1CCC[C@H]1CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O 27860362 FQVXJULJMNBUNX-KRWDZBQOSA-N 358.441 4.073 5 1 FIBF O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2 84710289 LCWQTRWYFQITCC-UHFFFAOYSA-N 370.171 4.408 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587270301 LRTJDYWWABSJCH-UHFFFAOYSA-N 353.275 4.414 5 1 FIBF Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)cc(-c3ccccc3)nc12 28770826 AZYPBQXYUDSSSV-UHFFFAOYSA-N 364.449 4.482 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 587388995 IQDNNXVYZPPBEH-IBGZPJMESA-N 364.357 4.452 5 1 FIBF COc1ccc([C@H]2NC(=O)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1 6041177 RMVBTEVXOKLDCL-GOSISDBHSA-N 372.380 4.179 5 1 FIBF CNC(=S)C1=CC2(Oc3ccc([N+](=O)[O-])cc31)C1CC3CC(C1)CC2C3 26578719 WMMGFADLIKCNEO-UHFFFAOYSA-N 370.474 4.112 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)c1cccc(Cl)c1 28466316 FMJXLZHQDVERHZ-IBGZPJMESA-N 370.840 4.132 5 1 FIBF O=c1ccc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2o1 586919097 ZUKWFLGCNYJJIO-UHFFFAOYSA-N 364.364 4.433 5 1 FIBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)NCCc2c(Cl)cc(Cl)cc21 963111698 RPIGNBMGDWFGRZ-INIZCTEOSA-N 355.196 4.450 5 1 FIBF Cc1cc(=O)oc2c1c(OCCCN(C)C)cc1oc3ccccc3c12 3982724 ZRXMTHJWMDVWAJ-UHFFFAOYSA-N 351.402 4.331 5 1 FIBF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645652 GIAXETSACLVBQW-UHFFFAOYSA-N 356.353 4.378 5 1 FIBF CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2cccc([N+](=O)[O-])c12 587647496 ZMERXPKRTTYJTJ-UHFFFAOYSA-N 368.393 4.409 5 1 FIBF Cc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 653842762 LQJAWVKCQZFPKN-UHFFFAOYSA-N 372.362 4.154 5 1 FIBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1-c1ccc(-c2ccccc2)cc1 1857618644 MDBUQGOOUMZSQE-UHFFFAOYSA-N 363.398 4.331 5 1 FIBF COc1ccc2c([S@](=O)c3ccc([N+](=O)[O-])cc3)c3ccoc3nc2c1 29044142 CVHQRCGLEMJPCC-SANMLTNESA-N 368.370 4.065 5 1 FIBF O=C(c1cccc(F)c1Br)c1coc2cc([N+](=O)[O-])ccc12 587280500 YOOAUWXAPXZTFT-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF O=C(c1ccc([N+](=O)[O-])cc1)N(C1=NCCCCS1)c1ccccc1 974685 KGRWKVWEOQGIKG-UHFFFAOYSA-N 355.419 4.125 5 3 FIBF CC/N=c1/cc2oc3cc(NCCCO)c4ccccc4c3nc-2cc1C 29057628 GNVAOGVKNUFIGB-QJOMJCCJSA-N 361.445 4.109 5 1 FIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 587271192 ACTVDUDJBANMAL-UHFFFAOYSA-N 367.752 4.374 5 1 FIBF C[C@@]1(c2cccc(O)c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587509675 IMNZLOLYEOHDQL-FQEVSTJZSA-N 353.374 4.060 5 1 FIBF O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644768 NAOIGLIKFQMDNR-UHFFFAOYSA-N 369.764 4.050 5 1 FIBF Cc1coc2c(OCCCN(C)C)c3oc(=O)c4ccccc4c3cc12 3817192 KPVKSBIMNGFRKI-UHFFFAOYSA-N 351.402 4.331 5 1 FIBF O=C(O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)on1 49803649 CVGVBGQCPNCCMO-UHFFFAOYSA-N 374.736 4.180 5 1 FIBF O=[N+]([O-])c1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 72128555 KWXJMGXJRNUIMO-UHFFFAOYSA-N 371.466 4.057 5 1 FIBF COC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048014 OYTDZCGJYLMKKE-XVNBXDOJSA-N 357.753 4.082 5 1 FIBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587201331 KLQMAWIKTXYUNL-UHFFFAOYSA-N 362.430 4.052 5 1 FIBF Cc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br 587270280 LDUVYBJKXJIVJZ-UHFFFAOYSA-N 360.211 4.327 5 1 FIBF CO[C@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21 1857773569 LLNDFPNAHYUNPF-OAQYLSRUSA-N 357.369 4.050 5 1 FIBF CCN(CC)CCn1nc2c3ccccc3sc3c(CN)ccc1c32 838518 STAKMRNVALWWQT-UHFFFAOYSA-N 352.507 4.205 5 1 FIBF CC(C)(C)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587268901 DARCPDJPVSQNTN-UHFFFAOYSA-N 362.393 4.016 5 1 FIBF COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)N(Cc1ccccc1)CC3 5885845 JGDRHEPJRJEPOY-ZDUSSCGKSA-N 351.406 4.204 5 1 FIBF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174339 NGNVNBBUOCBLKP-UHFFFAOYSA-N 365.393 4.146 5 1 FIBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587075998 QAGCVJBYSDWZQY-UHFFFAOYSA-N 353.769 4.286 5 1 FIBF Cc1ccc2nc3c(O)c(Br)cc(Br)c3nc2c1 1857651630 QGUJWEDHTRNWGL-UHFFFAOYSA-N 368.028 4.322 5 1 FIBF CO[C@@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)ccc3c21 64526983 ATBXPCOFDWGOCJ-NRFANRHFSA-N 357.369 4.050 5 1 FIBF biogenic COc1cc(OCc2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1[N+](=O)[O-] 587263638 XUXIXELPLWFACU-UHFFFAOYSA-N 355.394 4.356 5 1 FIBF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587266213 XHOVPZFBMFSQIF-UHFFFAOYSA-N 367.292 4.235 5 1 FIBF CCOC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12 14440775 JYAAVUUOLOMIRY-UHFFFAOYSA-N 356.381 4.473 5 1 FIBF biogenic CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C(C)(C)O2 40719151 DJCLFSWUQUSJQA-UHFFFAOYSA-N 374.286 4.294 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 587750278 HGWIVUDYLMATFC-JDNHERCYSA-N 365.202 4.120 5 1 FIBF CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644756 MWAPQTXFQQJRRJ-UHFFFAOYSA-N 372.764 4.142 5 1 FIBF COc1ccc(C2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC3(CCC3)C2)cc1 587935529 NGSXUYUBRFHQBQ-UHFFFAOYSA-N 364.405 4.125 5 1 FIBF Cc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C 587265580 QEVSHZIREXJZGD-NSHDSACASA-N 355.354 4.169 5 1 FIBF Cn1cc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)c2cc([N+](=O)[O-])ccc21 28949195 AHHJCINSIYNQSZ-UHFFFAOYSA-N 364.361 4.077 5 1 FIBF O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2CCCC[C@@H]21 29049485 WCPNKJFFGJBDGL-BEFAXECRSA-N 365.433 4.452 5 1 FIBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc([N+](=O)[O-])ccc1N(C)C 963228164 KVUQKYRMQMLXEH-QVKFZJNVSA-N 353.466 4.407 5 1 FIBF CCN(C)C(=O)Oc1cc([C@H](C)N(C)C)c2c(c1)oc(=O)c1ccccc12 220085605 MHJSTVGCJSASLZ-ZDUSSCGKSA-N 368.433 4.019 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1F 587150622 MPHUEHXFTPFMGN-UHFFFAOYSA-N 355.247 4.208 5 1 FIBF COc1cc([N+](=O)[O-])ccc1C[C@H]1c2ccc(F)cc2C[C@H]2CCCN12 963118938 ZZNIKIILTYPPRU-APWZRJJASA-N 356.397 4.047 5 1 FIBF CN(C)CCNc1ccc2oc3ccccc3c3c2c1cn3CCN(C)C 40575316 ZKSXDMUBUBXBIB-UHFFFAOYSA-N 364.493 4.076 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCCC[C@@H]1n1ccnc1 66073845 XAJJUOJMPIDNBX-JSGCOSHPSA-N 355.316 4.373 5 1 FIBF COc1ccc([C@@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82162301 HZAXZDOCGZUONX-CYBMUJFWSA-N 350.378 4.234 5 1 FIBF C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3c(c2)OCO3)CC1 13817969 MGRJGBMUVSCADJ-UHFFFAOYSA-N 366.481 4.435 5 1 FIBF COc1cc(Br)c(Br)c2nc3ccccc3nc12 72108114 RHDCTWTUJSDZCE-UHFFFAOYSA-N 368.028 4.317 5 1 FIBF COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587201660 UZNFBKOTOZTJAV-UHFFFAOYSA-N 360.801 4.480 5 1 FIBF CCN(CC)CCn1nc2c3ccccc3oc3c4nc(C)[nH]c4cc1c23 28604314 UVYPFBCXACZQSK-UHFFFAOYSA-N 361.449 4.462 5 1 FIBF O=C1C[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587512121 LGUUJLZRTNADSU-OAQYLSRUSA-N 365.385 4.117 5 1 FIBF CO[C@@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21 1857773568 LLNDFPNAHYUNPF-NRFANRHFSA-N 357.369 4.050 5 1 FIBF COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCC[C@@](C)(O4)O1 100088382 ZUEKQPJBVORAFH-FKIZINRSSA-N 354.358 4.011 5 1 FIBF in-vitro COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C(F)(F)F)c1 587097183 GFIPTRYOPQVJPF-UHFFFAOYSA-N 355.247 4.305 5 1 FIBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587411302 ZEWQUGCRVZVFCR-MRXNPFEDSA-N 358.419 4.304 5 1 FIBF Cc1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587565710 QVXRCKWXGZALPQ-UHFFFAOYSA-N 362.183 4.121 5 1 FIBF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644390 AKCDJHPQKOKYKM-UHFFFAOYSA-N 358.781 4.497 5 1 FIBF COc1cc(OCC=C(C)C)c2c(=O)c3c(OC)c(OC)ccc3oc2c1 28763712 CRWAZNJFMFXFBG-UHFFFAOYSA-N 370.401 4.317 5 1 FIBF biogenic Oc1ccc(C2(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)cc1 586899411 WECCHSJGDUQCLC-UHFFFAOYSA-N 352.397 4.445 5 1 FIBF CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc([N+](=O)[O-])cc31)CC2=O 587472266 ZMEKHKAPUMIJJW-HXUWFJFHSA-N 367.357 4.020 5 1 FIBF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587951702 IWJYGTQMGFNLSJ-UVWXRNBGSA-N 362.386 4.426 5 1 FIBF CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163789 BAPKGOOEWSWAGD-NSHDSACASA-N 353.382 4.226 5 1 FIBF COc1c(OC(C)=O)ccc2c1cnc1c3cc4c(cc3ccc21)OCO4 13385534 HJSQQXWJAIHQAZ-UHFFFAOYSA-N 361.353 4.204 5 1 FIBF biogenic Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)c1ccccc1Cl 28468864 LXDISTIYYFMMHC-LJQANCHMSA-N 370.840 4.132 5 1 FIBF CCn1nc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)c2ccccc21 84741754 PSGWYVYXHYYOMB-UHFFFAOYSA-N 360.377 4.165 5 1 FIBF O=C(/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccccc1 587243492 DXXGILZMSAFHGY-ZHACJKMWSA-N 365.396 4.311 5 1 FIBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(C)cc(Cl)cc12 587627016 LSMCIDAGMSRMEP-UHFFFAOYSA-N 372.764 4.061 5 1 FIBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc2ccccc2n1 587648550 HYDRICCJBUIHBP-UHFFFAOYSA-N 361.357 4.468 5 1 FIBF C[N+]1(CCOc2cnc3c4c(cccc24)C(=O)c2ccccc2-3)CCCC1 71359407 AUHBAWMQACSNCQ-UHFFFAOYSA-N 359.449 4.065 5 1 FIBF Cc1ccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)cc1 96915914 LFAZORORQSVMQA-UHFFFAOYSA-N 356.216 4.437 5 1 FIBF Cc1cc(O)cc(O)c1-c1c(C)c2nc3c(C)cc(O)cc3oc-2cc1=O 238740673 PWNZBQZYVYZHBW-UHFFFAOYSA-N 363.369 4.002 5 1 FIBF C=CC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587243375 DRSXQFXKZVXRNL-UHFFFAOYSA-N 365.396 4.451 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C(F)(F)F)c3[nH]2)c1 587261381 AGJUTKFMQGHNDO-UHFFFAOYSA-N 365.311 4.420 5 1 FIBF COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587645299 OWYFMUPRQLCQCE-UHFFFAOYSA-N 364.279 4.335 5 1 FIBF CCc1c2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c2n1C)OCO4 26389609 OAKUFERESWZKNO-UHFFFAOYSA-N 361.397 4.096 5 1 FIBF Cc1ccccc1-c1ccc([C@@H]2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc1 40829221 HPGLFJZJIHFMIT-FQEVSTJZSA-N 359.385 4.424 5 1 FIBF CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174683 AYJPLEUEEUYUNQ-LLVKDONJSA-N 353.382 4.226 5 1 FIBF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 100834248 VNKSUONYUGXCCC-YXYSEUPNSA-N 352.434 4.326 5 1 FIBF O=C(/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccccc1 587243489 DXXGILZMSAFHGY-KHPPLWFESA-N 365.396 4.311 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc([N+](=O)[O-])c2)N1 587845628 FBHLBBVGTSURAH-JKYUHCHBSA-N 371.231 4.182 5 1 FIBF Cc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Cl 587116853 LEMANMGJKLUEQF-UHFFFAOYSA-N 373.722 4.005 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150447 QANVZMMGUWDZFZ-QGZVFWFLSA-N 363.352 4.207 5 1 FIBF COc1cc(C[C@@H](O)c2ccc(-c3ccco3)cc2)c([N+](=O)[O-])cc1OC 1857639119 SDSGPPPIKQSGLK-QGZVFWFLSA-N 369.373 4.148 5 1 FIBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)C2 586885325 LYFMLAIYPZPKFM-IHRRRGAJSA-N 354.413 4.298 5 1 FIBF Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)cccc1[N+](=O)[O-] 587261056 RBDXSPYWDLODKU-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 103270939 ZLENGVWEOQMCOO-BQJUDKOJSA-N 352.434 4.326 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1[N+](=O)[O-] 587087167 IMMGDPWCZBWEMJ-UHFFFAOYSA-N 357.713 4.181 5 1 FIBF CCOc1ccc(OCC)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279952 VZHWEGQZZVLTLU-UHFFFAOYSA-N 355.346 4.369 5 1 FIBF COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1CCC(C)(C)O2 2356725098 ISFJUEZGXAJAAE-UHFFFAOYSA-N 370.401 4.076 5 1 FIBF Cc1c(-c2nc3ccc(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979992 LVDFQBVHAYBHAC-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF CCc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cs2)cc1 587016205 RPXFPDBYDQSPOS-UHFFFAOYSA-N 351.391 4.219 5 1 FIBF CC(C)(C)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587265442 UHGDDVUGJCYUDQ-UHFFFAOYSA-N 354.366 4.268 5 1 FIBF Cc1c(-c2nc3cccc(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979641 HDJMRVJGWWNUHC-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF Cc1ccc2c(ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c32)n1 587148438 HORVEOXSSDZHIU-UHFFFAOYSA-N 352.325 4.046 5 1 FIBF COc1ccc2c([O])c3c4c(ccn3C)cc(OC)c(O)c4c2c1OC 2356829041 BYMUEBKPCSJSQT-UHFFFAOYSA-N 352.366 4.360 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1[N+](=O)[O-] 587085586 VPAPCKKPTBSPNS-UHFFFAOYSA-N 369.724 4.248 5 1 FIBF COc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cn1 587271421 BUJLYDPYNMDZSX-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511597 QOOCDFQXZBLCLY-IBGZPJMESA-N 353.374 4.189 5 1 FIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C)c2[nH]1 587263187 KMACVUWCVNURCR-LBPRGKRZSA-N 369.377 4.131 5 1 FIBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CS3)cc(O)c12 45372003 GYLJDSBPCVENET-CYBMUJFWSA-N 350.395 4.299 5 1 FIBF O=c1cc2n(CCCN3CCCC3)c3ccccc3nc-2c2ccccc12 206614557 MZJNGWPMKWXCNC-UHFFFAOYSA-N 357.457 4.140 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1F 587139858 QJCWMZYTIVINJY-UHFFFAOYSA-N 360.654 4.344 5 1 FIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C)c2[nH]1 587263185 KMACVUWCVNURCR-GFCCVEGCSA-N 369.377 4.131 5 1 FIBF CCN(CC)CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1 299823411 FXPBCAONGSFMTO-UHFFFAOYSA-N 355.434 4.153 5 1 FIBF CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 587270461 YRIRMLTXBMTEJE-UHFFFAOYSA-N 365.437 4.431 5 1 FIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587274995 YYWDKWBJKKLFJY-MRVPVSSYSA-N 371.344 4.083 5 1 FIBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064720 NWIMADLYJVREMU-UHFFFAOYSA-N 370.752 4.359 5 1 FIBF O=C(CCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587954038 ZUAHAHMLELQDLJ-UHFFFAOYSA-N 352.397 4.475 5 1 FIBF O=[N+]([O-])c1ccc2c(cnn2-c2ccnc(Nc3ccc(Cl)cc3)n2)c1 653876710 WRPBKMHNLCOBRD-UHFFFAOYSA-N 366.768 4.121 5 1 FIBF COc1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1857643745 HIBLLKSICIFOKM-UHFFFAOYSA-N 372.384 4.379 5 1 FIBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587273142 FDEUCTPOSHOZSP-UHFFFAOYSA-N 365.418 4.176 5 1 FIBF C[N@@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 254136514 SKNRIMBFFBIGKY-KULFHQPUSA-N 350.482 4.226 5 1 FIBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)NCCc2c(Cl)cc(Cl)cc21 963111700 RPIGNBMGDWFGRZ-MRXNPFEDSA-N 355.196 4.450 5 1 FIBF COc1cc2c[n+](C)c3c4ccc(OC)c(OC)c4ccc3c2cc1OC 169339187 VPBXICBHNNRXAZ-UHFFFAOYSA-N 364.421 4.005 5 1 FIBF FC(F)=C(C[C@@H]1CCCN1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587088610 QAXUJMBETGZKKJ-NSHDSACASA-N 365.387 4.409 5 1 FIBF Cc1cc(Br)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1F 587137861 PDMAMVRTRKVMAA-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF O=c1cc(N2CCN(c3ccc(F)cc3)CC2)c2ccc3ccccc3c2o1 1857613412 FYOCKTLEILSCNG-UHFFFAOYSA-N 374.415 4.412 5 1 FIBF CCN(CC)CCn1nc2c3ccccc3sc3c(CNC)ccc1c32 838519 CLTKOUOFWPJNNU-UHFFFAOYSA-N 366.534 4.465 5 1 FIBF COc1cc2c3c(c1)O[C@@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587430698 BEWYGMAEIQNJRD-HRAATJIYSA-N 367.401 4.087 5 1 FIBF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587511237 ODYRDCRVAXIKJU-OAQYLSRUSA-N 367.401 4.363 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(F)cc1 5893111 RSDZJEMJVDJEEA-LJQANCHMSA-N 355.369 4.045 5 1 FIBF CC[N+](C)(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2 71341650 ABMHYDLGKOCRPF-UHFFFAOYSA-N 361.465 4.311 5 1 FIBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 586882375 PNWYEDJMJNTKAY-UHFFFAOYSA-N 372.384 4.381 5 1 FIBF COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587228323 BCDBIEOGSOQFJU-UHFFFAOYSA-N 354.410 4.141 5 1 FIBF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512361 XBKJAUPCCWWZKT-FQEVSTJZSA-N 366.417 4.246 5 1 FIBF CCOC(=O)C1=C(C)NC(c2ccccc2)=C[C@@H]1c1ccc([N+](=O)[O-])cc1 137629927 YYVSBISRUIKORF-GOSISDBHSA-N 364.401 4.160 5 1 FIBF CCOC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048330 SMSDPVJKLKFCBK-YWEYNIOJSA-N 371.780 4.472 5 1 FIBF Cc1cc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587113948 XGGJMVABFHNXLK-LBPRGKRZSA-N 364.327 4.041 5 1 FIBF O=[N+]([O-])c1ccc(-c2nc(-c3cc(Cl)ccc3O)n[nH]2)c(Cl)c1 1857556908 SNLSZFKJTKOVNU-UHFFFAOYSA-N 351.149 4.059 5 1 FIBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4ccc(C)cn4c32)cc1 103232299 PSWNLKCTQIWVMJ-UHFFFAOYSA-N 369.424 4.168 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)ccnc3[nH]2)c1F 587139633 MRWSCRWKUZFBLP-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF Cc1cc(Br)cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587159984 AKMMNYPRNJIQLC-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF Cc1c(F)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F 587133293 RRWAXLLBXPAWAS-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF COc1ccccc1Nc1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587239886 AAWJWCDPZJIZAF-UHFFFAOYSA-N 361.361 4.285 5 1 FIBF O=[N+]([O-])c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F 587133969 GRMWWASTKGKZLR-OWOJBTEDSA-N 373.212 4.476 5 1 FIBF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587242326 SJVBTBXPZIINLN-UHFFFAOYSA-N 356.357 4.262 5 1 FIBF COc1cc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] 587263431 UEXBCRGMJFTKST-UHFFFAOYSA-N 367.283 4.078 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O 587472309 GAQQOLRTZZAMFO-HXUWFJFHSA-N 371.389 4.142 5 1 FIBF CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1 66101225 YEIYWRLDRSUWBA-PCHGQMOYSA-N 350.459 4.050 5 1 FIBF CCN(CC)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23 95576647 GORNSIRCLHJCKX-UHFFFAOYSA-N 368.440 4.347 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)cc(F)c2[nH]1 587110299 YSFPUEVDBRFEIZ-UHFFFAOYSA-N 357.238 4.359 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])s2)N1 587849334 SUZAJGOKKQNBCL-JKYUHCHBSA-N 371.231 4.182 5 1 FIBF O=C(C[C@H](NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 72115054 ZDUCNNBFWHZSKN-FQEVSTJZSA-N 374.396 4.339 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccccc1S 98085661 VLVIJFKZGZRXJO-LJQANCHMSA-N 369.446 4.195 5 1 FIBF Fc1ccc2c(c1)C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 587174506 QAUWXXGCDRABDV-HXUWFJFHSA-N 356.360 4.475 5 1 FIBF CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c(C)n1 587645319 PNMQWOIDFZVFFA-UHFFFAOYSA-N 366.299 4.013 5 1 FIBF COc1cc2oc3c(OC)c(OC)ccc3c(=O)c2c(O)c1CC=C(C)C 14763047 NZRNRGMIUWPDOW-UHFFFAOYSA-N 370.401 4.186 5 1 FIBF biogenic Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880437 PIDQUKXLAGJZIS-UHFFFAOYSA-N 374.356 4.207 5 1 FIBF COc1ccc(/C=C/Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(OC)c1 587929721 PABNRJFDRUVZDC-ONEGZZNKSA-N 373.796 4.398 5 1 FIBF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587089062 XAMDPMLOHGNIJI-NSHDSACASA-N 365.387 4.409 5 1 FIBF COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)n1 587083610 BYUFPMAUJKWTEQ-UHFFFAOYSA-N 361.792 4.383 5 1 FIBF CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-] 3815258 SIBSADYFORJTDQ-UHFFFAOYSA-N 374.198 4.086 5 1 FIBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccccc1[N+](=O)[O-] 165817768 HGUHDMYEGBQQSE-UHFFFAOYSA-N 361.332 4.100 5 1 FIBF C[C@H](Sc1ncccn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586962784 AOGXFOMDXBBSTE-NSHDSACASA-N 358.430 4.303 5 1 FIBF COCCNc1ccc(-c2nc3cc(C)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587261594 FAMGKHZSCLNMSQ-UHFFFAOYSA-N 360.801 4.158 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N(C)C)CC2=O 587473084 PSNYFWYRFLVNDA-IBGZPJMESA-N 370.405 4.025 5 1 FIBF CC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccccc1[N+](=O)[O-] 66097939 FPIFFONYQNMSPP-OAQYLSRUSA-N 359.385 4.446 5 1 FIBF COc1cccc2cc3c(nc12)[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)NCC3 963046550 KNYVCNCCSAJMGQ-SFHVURJKSA-N 369.808 4.040 5 1 FIBF Cc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1[N+](=O)[O-] 587232696 ZXSLDXWZEUHOPT-UHFFFAOYSA-N 362.389 4.329 5 1 FIBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1 587862601 DZGCSKIWNLAGFP-UHFFFAOYSA-N 363.295 4.475 5 1 FIBF CC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1cccc([N+](=O)[O-])c1 66079799 QBJXOSCKKQTWCB-NRFANRHFSA-N 359.385 4.446 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])O2 587388427 BKGUBHIPFZWSPI-BTYIYWSLSA-N 366.417 4.232 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1F 587005431 IIZOMCPJVLOTAV-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1CCC[C@](C)(O4)O1 100088380 ZUEKQPJBVORAFH-ODXCJYRJSA-N 354.358 4.011 5 1 FIBF in-vitro C[C@]1(c2cccc(O)c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587509678 IMNZLOLYEOHDQL-HXUWFJFHSA-N 353.374 4.060 5 1 FIBF O=c1c2ccccc2c(O)nc2c(-c3nnc(-c4ccccc4)o3)cccc12 1857643524 ZZOGQIDJAGOTHH-UHFFFAOYSA-N 367.364 4.171 5 1 FIBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101151978 MMJNDRSEERCWAQ-OALUTQOASA-N 355.458 4.193 5 1 FIBF O[C@@H]1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 586904920 WRUZZXDUOKTROT-DLBZAZTESA-N 352.397 4.228 5 1 FIBF CCCc1sc(=N)[nH]c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587013556 QLTNKIMEVYPEHM-UHFFFAOYSA-N 360.446 4.148 5 1 FIBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)C1CCCCC1 1857594995 XSKZAFRRUUOUOB-UHFFFAOYSA-N 356.447 4.168 5 1 FIBF COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)CC2 587936998 FOWHXYAGLYYDDX-NSHDSACASA-N 357.797 4.406 5 1 FIBF O=c1c(-c2ccccc2[N+](=O)[O-])nc2ccccc2n1Cc1ccccc1 1772619771 BNLWKDLSEFYDGF-UHFFFAOYSA-N 357.369 4.020 5 1 FIBF O=Cc1c2[nH]c3ccccc3c2c(C(=O)C(=O)O)c2[nH]c3ccccc3c12 14585609 NHZVFRKGFQYFIW-UHFFFAOYSA-N 356.337 4.035 5 1 FIBF biogenic Cc1cccc(NC(=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2CCCCC2)c1 59878591 YWUBOARTQGPBMA-LJQANCHMSA-N 353.422 4.069 5 3 FIBF N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]1c1ccccc1F 587155701 KJGHQTGEEASITJ-WHEQGISXSA-N 369.403 4.140 5 1 FIBF O=C(c1ccc(F)cc1Br)c1coc2cc([N+](=O)[O-])ccc12 587280263 QJCCWYMLEINPAO-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC)c1[N+](=O)[O-])CC2=O 587472563 JXLRPOAYGQREBH-FQEVSTJZSA-N 371.389 4.142 5 1 FIBF N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1Cl 587055407 BLDNRDRMRXGGAT-LLVKDONJSA-N 351.193 4.020 5 1 FIBF CCN(CC)CCn1nc2c3c(OC)cccc3sc3c(N)ccc1c32 29326182 DATJYSSMWRXWHP-UHFFFAOYSA-N 368.506 4.337 5 1 FIBF CCc1ccccc1NC(=O)c1nc2c3cccnc3c3ncccc3c2[nH]1 587240676 HOZDUYYXLJWUGO-UHFFFAOYSA-N 367.412 4.474 5 1 FIBF COc1ccc(Cl)c2c1CCN[C@@]2(C)Cc1ccc(C)cc1[N+](=O)[O-] 963256860 GFOCOXGCPIRTSK-IBGZPJMESA-N 360.841 4.169 5 1 FIBF Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586970227 BYXXLAVXTNRHIC-UHFFFAOYSA-N 372.406 4.164 5 1 FIBF COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)n1 587083861 PAFOSDOGLSSGHZ-UHFFFAOYSA-N 361.792 4.383 5 1 FIBF Cc1ccccc1NC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1 2382255514 PKSSAJZPBITULB-UHFFFAOYSA-N 362.345 4.292 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)O2 587389663 MQULWTNTEHMXML-JOCHJYFZSA-N 374.396 4.394 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(CCO)cc2[nH]1 586972018 DBNYBTMQZXOEOR-UHFFFAOYSA-N 371.462 4.421 5 1 FIBF COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1C 587109030 GIJVUXRXINNIAI-UHFFFAOYSA-N 365.311 4.398 5 1 FIBF CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2 29232328 RAFQXEBNLSFCGE-UHFFFAOYSA-N 364.445 4.104 5 1 FIBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(NC(C)=O)c([N+](=O)[O-])c1 963231959 BVLUDPISLBJZHW-LHSJRXKWSA-N 367.449 4.299 5 1 FIBF O=[N+]([O-])c1ccc(OCCOC(=S)Nc2ccc(Cl)cc2)cc1 40895486 OIVDPLBCILLMAJ-UHFFFAOYSA-N 352.799 4.041 5 1 FIBF Fc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73159959 IFKCLLHUGZYAPV-UHFFFAOYSA-N 356.364 4.451 5 1 FIBF O=C1C[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)Oc2c1ccc1c2CCCC1 587514566 ZSYWCNMYXFOEDD-SFHVURJKSA-N 363.373 4.056 5 1 FIBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1Cl 587644392 AKGOTCVLLFENRA-UHFFFAOYSA-N 372.764 4.137 5 1 FIBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccccc1 1772607526 RFSSTKPLMNAJTF-UHFFFAOYSA-N 357.369 4.020 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016777 CBSVRBYOIPAXTH-UHFFFAOYSA-N 364.386 4.197 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587266806 AUPUOXUITHQGDM-SSDOTTSWSA-N 373.722 4.258 5 1 FIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587744568 HAJMXLVSOQHOLE-OHUAYANFSA-N 373.266 4.173 5 1 FIBF CC(C)(C)NCCCOc1ccc2c(=O)c3cc(Cl)ccc3[nH]c2c1 1857588799 LMPQFIHKKBNMLM-UHFFFAOYSA-N 358.869 4.492 5 1 FIBF O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc(Oc2ccccc2)cc1 1654019 TZRHOHNOIZWCNF-UHFFFAOYSA-N 365.370 4.148 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccc(O)cc1 40861327 MVSXLCRFRMCUCA-UHFFFAOYSA-N 360.269 4.379 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Cl 587091665 HQXNVYJRAQRUOO-UHFFFAOYSA-N 360.679 4.274 5 1 FIBF CCSC[C@](C)(O)Cc1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820604 BMYZIPZJZVGBFV-CQSZACIVSA-N 362.373 4.142 5 1 FIBF OCC12CCC(c3nc4c5cccnc5c5ncccc5c4[nH]3)(CC1)CC2 586899108 MMSKSRHYWAESCR-UHFFFAOYSA-N 358.445 4.244 5 1 FIBF O=C(c1cccs1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772650658 IPUPBZMMSHGJMK-UHFFFAOYSA-N 373.481 4.412 5 1 FIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1F 587266310 YKKHCZZRWZYXFG-UHFFFAOYSA-N 368.280 4.445 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)O2 587388470 CHZMGCYNKYAAQG-LJQANCHMSA-N 364.357 4.452 5 1 FIBF O=C(Nc1cccnc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587646513 DOBIECJSFWYOQK-UHFFFAOYSA-N 358.357 4.390 5 1 FIBF Cc1cccc(Cl)c1Nc1nc2ccc([N+](=O)[O-])cc2n2cncc12 1494070 SGQRUSCNUJBCNN-UHFFFAOYSA-N 353.769 4.496 5 1 FIBF CN(C)CCNc1c2c3ccccc3nc-2n(C)c2ccc(Cl)cc12 101638786 GBAXWZZGFBMKHP-UHFFFAOYSA-N 352.869 4.458 5 1 FIBF CCNCCCNCCCCNCc1c2ccccc2cc2ccccc12 40392580 HCZGDQDCZXBIHU-UHFFFAOYSA-N 363.549 4.452 5 1 FIBF O=[N+]([O-])c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F 587133970 GRMWWASTKGKZLR-UPHRSURJSA-N 373.212 4.476 5 1 FIBF CC(C)(C)OC(=O)N[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 587226832 URAQRDFPWRAWFC-AWEZNQCLSA-N 360.414 4.227 5 1 FIBF CCCCCOC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1 29389288 PVQNZGRPRKWCHU-UHFFFAOYSA-N 352.434 4.318 5 1 FIBF CC(=O)NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(C)CC1 587234359 KGAYPSPUVOPBQG-UHFFFAOYSA-N 373.460 4.201 5 1 FIBF COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@@H](C)N(Cc1ccccc1)CC3 1620062 JGDRHEPJRJEPOY-CYBMUJFWSA-N 351.406 4.204 5 1 FIBF COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645030 HUMRESQAEUBVPB-UHFFFAOYSA-N 364.279 4.335 5 1 FIBF COc1ccc(Nc2ccc(N)c3[nH]c4ccc(OC)cc4c(=O)c23)cc1 2382227477 WLHXVOUEFFPCMD-UHFFFAOYSA-N 361.401 4.024 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccnc(Cl)c2[nH]1 587110180 VLBVJMJLXRALFX-UHFFFAOYSA-N 356.691 4.129 5 1 FIBF O=NCc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 587189814 GECBEHHENWATCP-UHFFFAOYSA-N 361.155 4.167 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c([N+](=O)[O-])c1)CC2=O 587472308 GAQQOLRTZZAMFO-FQEVSTJZSA-N 371.389 4.142 5 1 FIBF c1ccc(COCCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587566205 AOUANZLHAYWVHY-UHFFFAOYSA-N 354.413 4.419 5 1 FIBF COc1cc(C)ccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587924874 GDEAZVCSVDVDTO-UHFFFAOYSA-N 362.183 4.218 5 1 FIBF CCOC(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587139312 HDJXBMKVFHMNOI-UHFFFAOYSA-N 363.732 4.107 5 1 FIBF CCCCNc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163406 HIIQIOLVDXMERU-UHFFFAOYSA-N 353.382 4.227 5 1 FIBF Cc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1[N+](=O)[O-] 587005472 JIYAENSQOXWMMO-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF O=C1CCc2cc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3cc2N1 587264218 DHERSZQTYDYGSE-UHFFFAOYSA-N 374.356 4.283 5 1 FIBF COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1OC 587048382 UTGHAPCBFJEQTN-XQRVVYSFSA-N 359.769 4.312 5 1 FIBF Nc1ccc(C(=O)CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587251623 KDMPHPPQEOYUFY-UHFFFAOYSA-N 367.412 4.057 5 1 FIBF O=[N+]([O-])c1cccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)c1 587876117 LEYOQEXUXWECKX-UHFFFAOYSA-N 356.338 3.948 5 1 FIBF CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(C3=CCNCC3)ccc12 72178277 PZHRDVMZPZZFGN-UHFFFAOYSA-N 366.446 4.032 5 1 FIBF COc1c(F)ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1N 587133686 ZPAGLTJHTQYTAU-UHFFFAOYSA-N 359.364 4.056 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2=O 587473531 XCNIYPAEAFARRZ-LJQANCHMSA-N 370.405 4.025 5 1 FIBF O=[N+]([O-])c1cc(-c2ccccn2)nc(-c2cccc(-c3ccccn3)n2)c1 238808840 CTUCCBMEGASPFQ-UHFFFAOYSA-N 355.357 4.176 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1[N+](=O)[O-] 587575733 KXWZQDRBZHKUMX-YLJYHZDGSA-N 363.325 4.003 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc12 587034293 RUPZGWGDPPXNDV-UHFFFAOYSA-N 364.224 4.451 5 1 FIBF O=c1oc2c(ccc3ccccc32)c(=O)n1-c1ccc(Cl)cc1Cl 169324320 DOZPENNPCRAYPF-UHFFFAOYSA-N 358.180 4.404 5 1 FIBF O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])o1 1857611839 NHOXTTBJGCXOGE-UHFFFAOYSA-N 356.765 4.438 5 1 FIBF CN(C)C(=O)[C@@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(C)O1 84614850 REAYYLBRUHSYFJ-UXHICEINSA-N 358.441 4.349 5 1 FIBF COc1ccc2nc3cc(I)ccc3c(OC)c2c1 95583927 YTDXPLWVFVEBPQ-UHFFFAOYSA-N 365.170 4.010 5 1 FIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587268765 DQVOIZCONNKBSW-UHFFFAOYSA-N 362.311 4.156 5 1 FIBF O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 1857555857 INIHDUJEBIVBBD-UHFFFAOYSA-N 370.368 4.457 5 1 FIBF CCN(CC)CCSc1ccc(CO)c2sc3ccccc3c(=O)c12 27865578 MVSBGOHPCZEANQ-UHFFFAOYSA-N 373.543 4.341 5 1 FIBF COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCCN(C)C 43074506 CFJBZDPJOGOEFW-UHFFFAOYSA-N 366.486 4.330 5 1 FIBF Cc1nnc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3Cl)nc1-2 58632535 NKUOWCWVEBHJCR-UHFFFAOYSA-N 351.753 4.062 5 1 FIBF in-vitro COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2n1 586971958 CFVVQRNQXHGCCG-UHFFFAOYSA-N 358.423 4.290 5 1 FIBF Cc1ncc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)c1Br 586979349 XLOOMJLYEWDGOC-UHFFFAOYSA-N 365.162 4.052 5 1 FIBF O=[N+]([O-])c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135281 WOQOUVRVXPMZQX-DUXPYHPUSA-N 355.222 4.337 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])O2 587378794 PXHUOBTUGYTGDT-SFHVURJKSA-N 360.797 4.105 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1Br 587644337 VNWRVVPFOCNZLN-UHFFFAOYSA-N 374.194 4.399 5 1 FIBF COc1cc2ccc3c4ccc(OC)c(OC)c4c[n+](C)c3c2cc1OC 95560139 YUPYPZXJIBYGKC-UHFFFAOYSA-N 364.421 4.005 5 1 FIBF Cc1cc(Br)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F 587137564 BMCYNRGHHUDDSY-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587270597 WGTGZEBHWSGBRR-UHFFFAOYSA-N 356.345 4.076 5 1 FIBF COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645349 RIVFKPRXPPYWQU-UHFFFAOYSA-N 364.279 4.335 5 1 FIBF O=[N+]([O-])c1ccc(F)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1F 963121570 NPHFTWHHHYHUKQ-HNNXBMFYSA-N 359.159 4.415 5 1 FIBF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@H]1N2C 53229806 XHZNIFLABLRQGZ-IRLDBZIGSA-O 366.485 4.120 5 1 FIBF Cc1cc(O)c(Cl)c2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12 6069557 NTAXLEHKEDVPRK-UHFFFAOYSA-N 361.564 4.332 5 1 FIBF biogenic COc1cc2c(N3CCN(C)CC3)nc3ccccc3c2c2ccccc12 13742153 LDPNVJBXUQDGFQ-UHFFFAOYSA-N 357.457 4.302 5 1 FIBF CCc1ccc(-c2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cs2)cc1 587015977 MACANXZQTHOWLL-UHFFFAOYSA-N 351.391 4.219 5 1 FIBF O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Cl 587017504 MSVREDWSPQVNMA-UHFFFAOYSA-N 360.782 4.432 5 1 FIBF Cc1n[nH]c(C)c1CCn1c(C)nc2c([N+](=O)[O-])c(Cl)c(Cl)cc21 653700545 YHKIIMNBGGRAQA-UHFFFAOYSA-N 368.224 4.142 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N(C)Cc1cccc(Cl)c1 587644815 PBCFNWUWNDEZTG-UHFFFAOYSA-N 357.797 4.310 5 1 FIBF CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 841169 IOOQJTUJMJYIHI-LJQANCHMSA-N 352.346 4.132 5 1 FIBF O=[N+]([O-])c1cc2c(O)c(-c3cc(F)cc(F)c3)c(O)nc2cc1Cl 36185270 FGFSQNFBXATDLI-UHFFFAOYSA-N 352.680 4.153 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)cc1[N+](=O)[O-])CC2=O 587472515 IYAYNVCDFXVVCY-IBGZPJMESA-N 370.405 4.025 5 1 FIBF CCN(CC)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21 299862773 NYAJPECBPRRECD-UHFFFAOYSA-N 359.473 4.386 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc([N+](=O)[O-])c1 587612059 INCRMSDCXCYFMX-YJBOKZPZSA-N 369.354 4.065 5 1 FIBF O=C1C[C@H](c2cc(F)c([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 587508521 WFDNLXGFYBUJBM-GOSISDBHSA-N 359.328 4.458 5 1 FIBF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc([N+](=O)[O-])cc1Cl 963270898 RVRPCCYKFNIZHE-INIZCTEOSA-N 353.205 4.145 5 1 FIBF O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1NC(=O)C1CCCCC1 224879606 BGMWOQMILDJTIN-UHFFFAOYSA-N 367.405 4.366 5 1 FIBF COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)ccc1Cl 587644696 KTXHAYILNAWQQW-UHFFFAOYSA-N 360.753 4.032 5 1 FIBF Cc1cc(N(C)Cc2nc3cnc4ccccc4c3[nH]2)c([N+](=O)[O-])cc1F 587137133 PJFXRIVPJAQIOS-UHFFFAOYSA-N 365.368 4.103 5 1 FIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Cl 587155375 KQBNKWRJBBUTPH-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF CCOc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1OCC 587279602 NFWSKQKMKGPPGL-UHFFFAOYSA-N 355.346 4.369 5 1 FIBF CCc1ccc2c(c1)[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O 13534971 QXHLCISVAQTGNJ-UHFFFAOYSA-N 367.408 4.412 5 1 FIBF c1cc2ccc3ccc(CNCCCN4CCOCC4)c4ccc(c1)c2c34 26467341 CNGGAZYRNIZDNK-UHFFFAOYSA-N 358.485 4.396 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c([N+](=O)[O-])cc1F)CC2=O 587467327 SLZGUMXTQZHHFE-KRWDZBQOSA-N 363.316 4.238 5 1 FIBF O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 1857609331 XBJOUPFIBJIIBB-UHFFFAOYSA-N 370.368 4.457 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cncc(Cl)c2[nH]1 587108864 BMLGJKRNZICPRD-UHFFFAOYSA-N 356.691 4.129 5 1 FIBF O=[N+]([O-])c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1[N+](=O)[O-] 587131324 FAQFLVVKZXNVQC-UHFFFAOYSA-N 374.303 4.261 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c([N+](=O)[O-])c1)CC2=O 587472895 ODMGHOLZVKRLIS-IBGZPJMESA-N 371.389 4.358 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1F 587005088 MMJWUYXBRFQFNL-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF COc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1OC 95594181 CAJLDTKXMVUAAK-UHFFFAOYSA-N 359.425 4.484 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1[N+](=O)[O-] 587575731 KXWZQDRBZHKUMX-PXNSSMCTSA-N 363.325 4.003 5 1 FIBF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cccc([N+](=O)[O-])c12 587649469 VJNRKBKSJGSKJX-UHFFFAOYSA-N 359.426 4.499 5 1 FIBF CN(C)CCCn1c(=O)c2sc3cc(F)ccc3c2c2ccccc21 27519905 VRWOBVDRULMZAC-UHFFFAOYSA-N 354.450 4.460 5 1 FIBF Cc1ccccc1N1CCN(CCCSc2ccc([N+](=O)[O-])cc2)CC1 28886874 SDFDUVVDKKEJRT-UHFFFAOYSA-N 371.506 4.208 5 1 FIBF N[C@@H](N=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048285 RTYQWMCKJGLFQH-SKKUGFDVSA-N 357.757 4.019 5 1 FIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 587273450 UNTZHFHMLCSGNL-UHFFFAOYSA-N 367.752 4.325 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccc(Br)c1 587643648 ICPCBSBBLBJSNU-UHFFFAOYSA-N 374.194 4.399 5 1 FIBF Cc1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587565903 WWAUHBYQELTBLO-UHFFFAOYSA-N 362.183 4.121 5 1 FIBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 1857631909 PDGZALDKLNYUDA-UHFFFAOYSA-N 367.308 4.476 5 1 FIBF COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Cl)c1O 587046385 QWLHRLAZJCMTFD-UHFFFAOYSA-N 354.149 4.159 5 1 FIBF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587068768 DCCNBOCKYHMADB-JTQLQIEISA-N 365.220 4.063 5 1 FIBF CCc1cc2c3[nH]c4ccc(Br)cc4c3cc[n+]2nc1CC 26576811 LAOWZNSUPOKZHZ-UHFFFAOYSA-O 355.259 4.342 5 1 FIBF COC(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1857568512 QWNOTMVBAHMRFZ-UHFFFAOYSA-N 355.375 4.249 5 1 FIBF Cc1cc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587235237 IHXYBMFDYKWWDC-CHWSQXEVSA-N 374.441 4.330 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(F)c(F)c3)[nH]c12 587143518 HATLGFBORJSTRC-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccncc1 587647370 XECKRWQNYMMDED-UHFFFAOYSA-N 368.393 4.163 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)cc(F)c4[nH]3)c2)c1 587270890 VVBBTSNTTIHTMO-UHFFFAOYSA-N 352.300 4.478 5 1 FIBF O=C1c2ccccc2CCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 13734359 CXMRZVOWSQPBGP-UHFFFAOYSA-N 350.418 4.006 5 1 FIBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587927770 UJNWNPXJOMYDNW-NSHDSACASA-N 359.357 4.169 5 1 FIBF Cc1cc(O)n(-c2ccc(NCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1O 169692314 DVKRIRMDNXYYMV-UHFFFAOYSA-N 373.796 4.371 5 1 FIBF C[C@@]1(COc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587514468 ZACCRQQNBPWJJS-NRFANRHFSA-N 367.401 4.277 5 1 FIBF COc1ccc2c(c1)[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)N(C(C)C)CC2 962093050 PCBMDHLCONPVOK-HXUWFJFHSA-N 358.413 4.273 5 1 FIBF COc1ccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)cc1 96270202 NBIUTIDTHURFLJ-UHFFFAOYSA-N 369.446 4.262 5 1 FIBF O=C1C[C@]2(NCCc3cc(-c4ccccc4)ccc32)c2c1cccc2[N+](=O)[O-] 962665672 JEKCWSCWZGBTBH-HSZRJFAPSA-N 370.408 4.238 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])O2 587388431 BKGUBHIPFZWSPI-QVKFZJNVSA-N 366.417 4.232 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2)N1 587748317 ULAIOCINCFQTFX-ABKXIKBNSA-N 365.202 4.120 5 1 FIBF COc1ccc(C=O)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587785870 DGTIHXATRHJAOR-UHFFFAOYSA-N 354.369 4.147 5 1 FIBF Nc1ccccc1NC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 1772642312 ICMBXZHODKLIJY-UHFFFAOYSA-N 363.373 4.008 5 1 FIBF O=C1c2ccccc2-c2cc(-c3ccncc3[N+](=O)[O-])nc3ccc(O)c1c23 586987214 LJEJICNMPYIEHE-UHFFFAOYSA-N 369.336 4.122 5 1 FIBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587044519 HFZOWJJBSKQKHF-UHFFFAOYSA-N 368.176 4.462 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1 71294906 MXYFADDMLBSGIB-UHFFFAOYSA-N 359.341 4.283 5 1 FIBF Cn1nc(C(F)(F)F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587118182 OQIOWVLOPCIRDP-UHFFFAOYSA-N 368.322 4.079 5 1 FIBF CC(C)COc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1[N+](=O)[O-] 45193380 KNHRDOHIDQZHTE-UHFFFAOYSA-N 365.389 4.430 5 1 FIBF N[C@H](N=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048280 RTYQWMCKJGLFQH-BAXHPOPBSA-N 357.757 4.019 5 1 FIBF CC(C)c1csc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)n1 49087513 WGVZADDSJWKGJV-UHFFFAOYSA-N 372.435 4.008 5 1 FIBF O=C1O/C(=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 586907794 XJLHWNKPDPGBNZ-WJDWOHSUSA-N 364.364 4.328 5 1 FIBF O=C(c1c(-c2ccc(O)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645024 HRVOEGYEWGQXIY-UHFFFAOYSA-N 350.252 4.194 5 1 FIBF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 137099416 ZLENGVWEOQMCOO-SBHAEUEKSA-N 352.434 4.326 5 1 FIBF O=c1c2sc3ncc4cc[nH]c4c3c2ncn1-c1ccc(Cl)cc1 28827138 GOYJLRKZEAXDRY-UHFFFAOYSA-N 352.806 4.130 5 1 FIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCC[N+]1=C3 238773133 SGLQFDKAIVVRPC-AWEZNQCLSA-N 362.449 4.169 5 1 FIBF CC(C)(C)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587269135 GUYDKGMUVZVXAD-UHFFFAOYSA-N 362.393 4.016 5 1 FIBF COc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586979724 JCSWZYMFEPSFDO-UHFFFAOYSA-N 362.183 4.218 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c([N+](=O)[O-])cccc13)CC2=O 587470945 NKXRPZQLLHARID-SFHVURJKSA-N 366.373 4.441 5 1 FIBF COc1c(OC)c(OC)c2c(ccc3ccccc32)c1CC[N+](C)(C)[O-] 14589415 ADPIGNCKOZWOQY-UHFFFAOYSA-N 355.434 4.136 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017819 QJHDEZAAKLWNRU-UHFFFAOYSA-N 364.386 4.197 5 1 FIBF CCn1ncc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c1C 587645271 NMXZOAGWTNBHOM-UHFFFAOYSA-N 366.299 4.013 5 1 FIBF O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc2ccc3ccccc3c12 1857764831 PAQVNGSFZOQIBA-UHFFFAOYSA-N 362.297 4.430 5 1 FIBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587076223 QRGPUUOLVKVLCP-UHFFFAOYSA-N 371.759 4.425 5 1 FIBF Cc1c(F)cccc1-c1cc(-c2nc3ccnc(O)c3[nH]2)cc([N+](=O)[O-])c1 587136495 JIRAGFTZSWRLHV-UHFFFAOYSA-N 364.336 4.353 5 1 FIBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)n1 587274393 UXRLBSRLECCIBI-UHFFFAOYSA-N 363.377 4.093 5 1 FIBF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2cc([N+](=O)[O-])ccc12 587647813 QHZJLYPIWFXEMH-UHFFFAOYSA-N 363.373 4.345 5 1 FIBF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H](O)Cc1c[nH]c([N+](=O)[O-])c1 2356821075 YEIYWRLDRSUWBA-PKOBYXMFSA-N 350.459 4.050 5 1 FIBF Cc1c(NC(N)=O)cccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587239250 OBSDSRUTSITZMR-UHFFFAOYSA-N 368.400 4.125 5 1 FIBF CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587375358 LLKNHKWJELXWEW-SFHVURJKSA-N 360.797 4.410 5 1 FIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cnc4ccccc4c3[nH]2)c1 587269874 SBGIZLHDNIDJSQ-UHFFFAOYSA-N 359.389 4.287 5 1 FIBF COc1cccc(C(=O)c2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)c1 587932892 WTQKGSXAKNPJKB-UHFFFAOYSA-N 373.368 4.378 5 1 FIBF COC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cccc([N+](=O)[O-])c1 587627086 NOLNEDUIVHELNH-UHFFFAOYSA-N 358.781 4.420 5 1 FIBF COc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587512118 UJHRIDMBSXRFSS-OAQYLSRUSA-N 367.401 4.363 5 1 FIBF CC(C)(C)OC(=O)N1[C@@H](CSc2ccc([N+](=O)[O-])cc2)COC1(C)C 219736920 VSZXLEOHNSGORK-CYBMUJFWSA-N 368.455 4.059 5 1 FIBF biogenic Cc1c(-c2nc3cc(F)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980458 ZWWBDMKGJJSHFH-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF CC(C)(C)OC(=O)N[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)C1CCCC1 587227523 ZAISMGZLZJNRHK-HNNXBMFYSA-N 360.414 4.227 5 1 FIBF O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645622 ZZCVDNVCEVTLMN-UHFFFAOYSA-N 352.243 4.465 5 1 FIBF Cc1ccc(Cl)cc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2498681 UHGLJKRBYOWEJL-KDOFPFPSSA-N 373.796 4.326 5 1 FIBF CCN(CC)CC(C)(C)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 34064498 VZWSQUHMLHDWST-UHFFFAOYSA-N 374.437 4.380 5 1 FIBF O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72113290 KJNGJOQTPUZDBL-FQEVSTJZSA-N 360.417 4.394 5 1 FIBF CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 100834183 ZLENGVWEOQMCOO-IRFCIJBXSA-N 352.434 4.326 5 1 FIBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587087151 IBHSXRVPYVHPKS-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF Cc1cc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2cc1[N+](=O)[O-] 587149037 LOTZGJXLRHPDBB-UHFFFAOYSA-N 369.331 4.125 5 1 FIBF Nc1nc2oc3ccc(CCC4CCCCC4)cc3c(=O)c2cc1C(=O)O 1857656446 CSVFTAVELISKPL-UHFFFAOYSA-N 366.417 4.135 5 1 FIBF O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@H](c3ccccc3)N(C3CCCCC3)C2)cc1 101112439 MZDRZLOCCBWCFP-OAQYLSRUSA-N 365.433 4.241 5 1 FIBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc2ccccc2n1 587648538 HNULVLAOBFIBHE-UHFFFAOYSA-N 361.357 4.468 5 1 FIBF CCCc1c(O)ccc2c1O[C@@]1(CCc3c([N+](=O)[O-])cccc31)CC2=O 587470852 MQOVRCFHMXLDGS-FQEVSTJZSA-N 353.374 4.060 5 1 FIBF O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])cc1 40379610 RLGLCQPHYILLPV-UHFFFAOYSA-N 367.308 4.476 5 1 FIBF CCN(CC)Cc1ccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc2c1 103216545 LCQVPKXXHCXRIC-UHFFFAOYSA-N 352.390 4.210 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587471829 VYVAMFXGZPFOPI-IBGZPJMESA-N 366.373 4.441 5 1 FIBF O=[N+]([O-])c1ccc2c(c1)[C@H](O)CN(C1CCC(c3ccccc3)CC1)CC2 1857763308 USNRENBQWMCQQB-RKOYOZNISA-N 366.461 4.213 5 1 FIBF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H](O)Cc1c[nH]c([N+](=O)[O-])c1 2356821072 YEIYWRLDRSUWBA-HKUYNNGSSA-N 350.459 4.050 5 1 FIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)c(C(F)(F)F)c1 73200297 BYOGXQUZSJJQCL-UHFFFAOYSA-N 367.283 4.085 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587159164 KYXREFVYSWFMTG-UHFFFAOYSA-N 373.237 4.347 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccc(Br)c1 587644076 MKOPEVFKOPNGCW-UHFFFAOYSA-N 374.194 4.399 5 1 FIBF COc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F 587645296 OOJSVLVALNQGJR-UHFFFAOYSA-N 364.279 4.497 5 1 FIBF CCn1ncc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c1C 587645430 UNKUJZVJVBQIQR-UHFFFAOYSA-N 366.299 4.013 5 1 FIBF CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 199791176 VCNBAGYSMXROGZ-UHFFFAOYSA-N 373.416 4.442 5 1 FIBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587268831 LPGDQTDNESNGEE-UHFFFAOYSA-N 369.328 4.090 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3nc4ccccc4nc13)O2 587396069 WOKNKEFLJCVDTJ-FQEVSTJZSA-N 355.397 4.380 5 1 FIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl 587047342 GVWGLJWIPCHITO-HWKANZROSA-N 371.780 4.456 5 1 FIBF O=[N+]([O-])c1ccc(Oc2c3cc4c(cc3nc3occc23)OCO4)cc1 29044165 KZUIMNBPJZHPNE-UHFFFAOYSA-N 350.286 4.410 5 1 FIBF O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587269254 UQQNNVVFFOTTJZ-UHFFFAOYSA-N 371.706 4.150 5 1 FIBF Oc1cccc2c1OCC(c1nc3c4cccnc4c4ncccc4c3[nH]1)=C2 586907141 DSVXYGUHUQYKNT-UHFFFAOYSA-N 366.380 4.298 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc3cc([N+](=O)[O-])ccc13)O2 587389803 NJPATBVRZKLFRM-GOSISDBHSA-N 364.357 4.051 5 1 FIBF CC(=O)Nc1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1 13675622 CEZUNDNFXMLCHL-UHFFFAOYSA-O 354.433 4.421 5 1 FIBF Cc1c(Cl)cccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2498661 VPLIKOGYHZELOC-KDOFPFPSSA-N 373.796 4.326 5 1 FIBF CN(C)CCn1nc2c3ccccc3n(C)c3c4c(cc1c23)OC(C)(C)C=C4 26579698 MRPZLFSTBSKMMS-UHFFFAOYSA-N 374.488 4.427 5 1 FIBF Nc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095671 PVUDKNTUIXERIO-UHFFFAOYSA-N 356.691 4.393 5 1 FIBF C[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277646 ZMIJBEAEDRVAGD-LBPRGKRZSA-N 365.418 4.428 5 1 FIBF CC(C)(C)NCCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1 1857561223 AAVCRZMNRWQPPN-UHFFFAOYSA-N 360.404 4.117 5 1 FIBF CN1CCN(c2cccc(-c3cc(=O)c4ccc5ccccc5c4o3)c2)CC1 1857617212 YWVHWKXOZWVTAI-UHFFFAOYSA-N 370.452 4.365 5 1 FIBF O=NCc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 587190266 LYBNWPNUJLORAK-UHFFFAOYSA-N 361.155 4.167 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cccc1[N+](=O)[O-])CC2=O 587468231 CFTUBONPPNFPTK-HXUWFJFHSA-N 355.390 4.442 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1[N+](=O)[O-] 587023123 FLENOCLFFDJOOI-UHFFFAOYSA-N 373.375 4.231 5 1 FIBF CCN1CCC[C@@H]1CN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O 27868054 GHXNVTWQELVNQV-QGZVFWFLSA-N 358.441 4.073 5 1 FIBF O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1NC(=O)C1CCCCC1 199853287 LNDWWXVPADKTJP-UHFFFAOYSA-N 367.405 4.366 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631567 PBLWJZRVNGUELC-QGZVFWFLSA-N 364.760 4.267 5 1 FIBF O=C(O)c1cc(=O)c2cc3sc4ccccc4c3c(Br)c2[nH]1 169319977 OGRSFTQQHSRALI-UHFFFAOYSA-N 374.215 4.357 5 1 FIBF Cc1cc(Br)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F 587137840 NXMBFZLRHVRKGM-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265001 KVPVJKXREBSGSK-UHFFFAOYSA-N 363.329 4.185 5 1 FIBF Cc1oc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587269256 UQYKGCGBERIARJ-UHFFFAOYSA-N 358.098 4.080 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c([N+](=O)[O-])cccc13)CC2=O 587470943 NKXRPZQLLHARID-GOSISDBHSA-N 366.373 4.441 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cnc(Cl)s3)[nH]c12 587021831 PNIIDBUDBIETOU-UHFFFAOYSA-N 359.592 4.011 5 1 FIBF CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857612502 TUTGSQVXVTYLOZ-UHFFFAOYSA-N 370.456 4.247 5 1 FIBF CC(C)SC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820553 HFQJOWOWKGJJBJ-CQSZACIVSA-N 362.373 4.444 5 1 FIBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1[N+](=O)[O-] 587863397 ZEQPMZXDHHDTFE-UHFFFAOYSA-N 363.295 4.475 5 1 FIBF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] 587209002 FCUOSFAAFIAANM-UHFFFAOYSA-N 367.792 4.076 5 1 FIBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 586880493 PXALORDKLIFIPJ-UHFFFAOYSA-N 374.356 4.207 5 1 FIBF CC(=O)c1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cc1 586880708 QJKXTXAQOFZNOW-UHFFFAOYSA-N 358.357 4.403 5 1 FIBF COc1cc2c3c(c4ccc(F)cc4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3 66252023 KWEFUARKIHCTFT-GCJKJVERSA-N 367.420 4.161 5 1 FIBF C[C@H](Nc1cc(Br)cc2[nH]ncc12)c1ccc([N+](=O)[O-])cc1 1857547256 ASVJOZUKJNEGKO-VIFPVBQESA-N 361.199 4.407 5 1 FIBF CC(=O)Nc1cccc(OCc2cc(=O)oc3ccc4ccccc4c23)c1 103201438 HVBDERFYOGCTLC-UHFFFAOYSA-N 359.381 4.484 5 1 FIBF CCn1c2ccccc2c2c3c(=O)n(Cc4[nH]cnc4C)ccc3ccc21 26972839 KUQPKBICNIKZDN-UHFFFAOYSA-N 356.429 4.209 5 1 FIBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587268995 PDXHDTWUAASEIK-UHFFFAOYSA-N 361.361 4.271 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc([N+](=O)[O-])c1F)CC2=O 587468991 ZKYUNBPDCCKYFW-HNNXBMFYSA-N 363.316 4.238 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nc(C(F)(F)F)cc1C1CC1 587645638 AMCFNYDUTXFTSK-UHFFFAOYSA-N 350.300 4.466 5 1 FIBF O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)c3ccccc3cc12 1772578217 OXSXPONLGUYBCS-UHFFFAOYSA-N 357.409 4.450 5 1 FIBF CN1CCN(c2c3c4ccccc4nc-3n(C)c3ccc(Cl)cc23)CC1 101606441 UKLIAZOWIGAZCH-UHFFFAOYSA-N 364.880 4.237 5 1 FIBF O=C1c2ccoc2CC[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 586906957 HYSSQOOXEYAHLI-LBPRGKRZSA-N 368.396 4.240 5 1 FIBF O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccc([N+](=O)[O-])cc1 96285799 HCBNELUSHGGTMS-UHFFFAOYSA-N 350.330 4.345 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092145 AUQWELLUDQOLFX-UHFFFAOYSA-N 354.313 4.188 5 1 FIBF O=C(c1c(-c2ccc(O)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645264 NCTHVMRNRLWTCU-UHFFFAOYSA-N 350.252 4.194 5 1 FIBF CN(C)CCNc1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2 29223883 PSQVHSDKWKGBOU-UHFFFAOYSA-N 364.445 4.104 5 1 FIBF O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)c2nonc12 96933898 MYYCJHHLGMUDDX-UHFFFAOYSA-N 366.196 4.186 5 1 FIBF O=[N+]([O-])c1cccc(Oc2ccc(OCCO[C@H]3CCCCO3)cc2)c1 96935370 QPBWLQRZKJHZKW-IBGZPJMESA-N 359.378 4.309 5 1 FIBF O=[N+]([O-])c1cc(-c2cc3ccccn3c2)ccc1I 68585246 IMCKWHPLPLQEIF-UHFFFAOYSA-N 364.142 4.119 5 1 FIBF biogenic CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@@H]1c1ccc([N+](=O)[O-])cc1 103273654 RCOKJAZMFNEIAG-OAQYLSRUSA-N 374.400 4.149 5 1 FIBF O=c1cc2n(CCN3CCCCC3)c3ccccc3nc-2c2ccccc12 299865969 UYNZNTKXOPUXAV-UHFFFAOYSA-N 357.457 4.140 5 1 FIBF Cc1c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cccc1[N+](=O)[O-] 587261092 SOORXFZWPKMFLV-UHFFFAOYSA-N 359.389 4.278 5 1 FIBF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1[N+](=O)[O-])C(F)(F)F 963035131 ZCNGUWSFSAKXEC-HNNXBMFYSA-N 356.369 4.225 5 1 FIBF COc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c1 73157701 GZUBPRPQRRXDTP-UHFFFAOYSA-N 368.400 4.320 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3ccc(F)c(Br)c3[nH]2)c1 587270835 UZIBQKOLPUHKOO-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587274957 XUPJCQFILHPCMF-SSDOTTSWSA-N 373.722 4.144 5 1 FIBF O=C(Nc1ccccc1)c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587247929 YJTZOJNWLUUYIB-UHFFFAOYSA-N 358.357 4.390 5 1 FIBF OCC12CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)(CC1)CC2 586895628 QKYFOJYNTDUIIC-UHFFFAOYSA-N 358.445 4.244 5 1 FIBF CCN(C)C(=O)Oc1cc([C@H](C)N(C)C)cc2oc(=O)c3ccccc3c12 220085434 YGXKBTHHWMVNNV-ZDUSSCGKSA-N 368.433 4.019 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])O2 587388432 BKGUBHIPFZWSPI-VFNWGFHPSA-N 366.417 4.232 5 1 FIBF Cc1cc(=O)oc2cc(-c3ccc([N+](=O)[O-])o3)c3c(c12)OC(C)(C)C=C3 169342975 TUXPSDSZIYJFCZ-UHFFFAOYSA-N 353.330 4.454 5 1 FIBF Cc1cccc(NC(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])o4)nc3c2)c1 2382218715 YHNFIHBQBRFZQA-UHFFFAOYSA-N 362.345 4.292 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(CO)cc2[nH]1 586974640 WTYCAUFDCFMFOF-UHFFFAOYSA-N 357.435 4.379 5 1 FIBF c1ccc2nc3c(nc2c1)c(NCCN1CCCCC1)nc1ccccc13 1772636228 CEIAXKDGEIABIM-UHFFFAOYSA-N 357.461 4.229 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587028566 WIJOQNQYQWQZPA-UHFFFAOYSA-N 367.346 4.170 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])s2)N1 587847172 JOHMNHFKAUHKSC-JKYUHCHBSA-N 371.231 4.182 5 1 FIBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 27087867 WGXMXIUHXOZPMP-NSHDSACASA-N 368.776 4.002 5 1 FIBF CN(C)CCCn1c2cc(=O)c3ccccc3c-2nc2cc(Cl)ccc21 206606963 OESPSJLZGYUUPO-UHFFFAOYSA-N 365.864 4.260 5 1 FIBF O=[N+]([O-])c1ccc(-n2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1 1772626384 FZPGFFXHBMBAOZ-UHFFFAOYSA-N 372.384 4.422 5 1 FIBF Cc1ccccc1[C@H](OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1 13473017 PSALOWAZZFTTCY-HXUWFJFHSA-N 351.406 4.214 5 1 FIBF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587241245 RVGODEUCAPBHSO-UHFFFAOYSA-N 374.404 4.476 5 1 FIBF CC1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C)CC2)CC1 72107619 WGZNSXOHPNRXAQ-UHFFFAOYSA-N 369.469 4.011 5 1 FIBF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 100834185 ZLENGVWEOQMCOO-IVAOSVALSA-N 352.434 4.326 5 1 FIBF CN(C)CCCNc1nc2c3ccc(O)cc3ccc2c2ccc(O)cc12 13600446 XMTVDHJPOGYFDR-UHFFFAOYSA-N 361.445 4.316 5 1 FIBF O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CC3)ncc12 66112984 GLFBKTAVWGMUEX-UHFFFAOYSA-N 371.400 4.194 5 1 FIBF C[N+]1(CCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)CCCC1 299833484 YFPKBCZIHPCYDC-UHFFFAOYSA-O 368.453 4.051 5 1 FIBF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265207 PRWTYMBSRBQVNL-QGZVFWFLSA-N 363.333 4.122 5 1 FIBF O=C1C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)c2c1cccc2[N+](=O)[O-] 962665674 JEKCWSCWZGBTBH-QHCPKHFHSA-N 370.408 4.238 5 1 FIBF Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 34804419 BUKLMMKMMNKNMN-UHFFFAOYSA-O 353.486 4.003 5 1 FIBF Cc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cccc1[N+](=O)[O-] 587261232 ZOGWNGIPIYJOMJ-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1ccccc1[N+](=O)[O-])O2 587408467 GPWVSYWKKRFSJB-SFHVURJKSA-N 358.419 4.002 5 1 FIBF O=C1C[C@@H](c2c(F)ccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587504592 JOFGFXWJJWWNDC-INIZCTEOSA-N 357.337 4.025 5 1 FIBF C[C@]1(c2cc([N+](=O)[O-])ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505403 MTHYQFFPGAERSP-HXUWFJFHSA-N 355.365 4.493 5 1 FIBF COc1cc([N+](=O)[O-])c(OC)cc1-c1cn2c(n1)sc1ccccc12 73140772 GQPDNYZAVDTGMW-UHFFFAOYSA-N 355.375 4.141 5 1 FIBF Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2[N+](=O)[O-])c1 169351035 XMEDEAAAJYMUFM-MRXNPFEDSA-N 363.826 4.039 5 1 FIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl 587048441 VVIQGKQVUZGZEX-DUXPYHPUSA-N 357.753 4.066 5 1 FIBF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc([N+](=O)[O-])cc31)CC2=O 587470186 JCIKWLYTFWKOHJ-FQEVSTJZSA-N 353.374 4.060 5 1 FIBF COc1ccc([N+](=O)[O-])cc1NCn1nc(-c2ccc(C)cc2)oc1=S 103228950 BSKQECJLLAAXFE-UHFFFAOYSA-N 372.406 4.167 5 1 FIBF CC(C)Cc1ccc([C@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 299826227 FQTXMRWAVOGRON-ZDUSSCGKSA-N 366.421 4.412 5 1 FIBF O=C1C[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587511504 HARZAZWPZJQVFT-OAQYLSRUSA-N 363.369 4.240 5 1 FIBF Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5[nH]c4c12)C(=O)NC3=O 13535017 FZGRMGZDGHBBEJ-UHFFFAOYSA-N 353.381 4.158 5 1 FIBF C[N+](C)(C)C[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 169336779 NNPUZNSEENZRQO-LBTBCDHLSA-O 351.898 4.257 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])c(Cl)s1)O2 587411269 SAWKQHBKXGBMLP-HNNXBMFYSA-N 352.799 4.081 5 1 FIBF COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br 586977940 RYMIWENOHJNIPB-CLTKARDFSA-N 374.194 4.413 5 1 FIBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587235396 LAHFHEHXATZCOO-VXGBXAGGSA-N 360.414 4.022 5 1 FIBF Cc1ccc(OCCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 66167138 XPTKSQZMFMAYCL-UHFFFAOYSA-N 357.193 4.453 5 3 FIBF Clc1ccc(-c2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)cc1 73222530 ZBMKZEUYRJLXFA-UHFFFAOYSA-N 358.792 4.284 5 1 FIBF CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174931 RZYDJGTXFKZZBK-UHFFFAOYSA-N 369.450 4.248 5 1 FIBF Cc1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1[N+](=O)[O-] 587008635 ZWUKDXCAGKHUHY-UHFFFAOYSA-N 372.182 4.085 5 1 FIBF Cc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1[N+](=O)[O-] 84687362 PNOQJJSOSXGRIT-UHFFFAOYSA-N 359.389 4.440 5 1 FIBF O=[N+]([O-])c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074438 AHVKKDQNWUPABY-QGZVFWFLSA-N 356.813 4.462 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1Br 587644138 NUWWTRCZFOWZCR-UHFFFAOYSA-N 374.194 4.399 5 1 FIBF CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644962 SDVSSQXAFBNGFA-UHFFFAOYSA-N 372.764 4.142 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccc(F)cc1)c1cccs1 28464831 FXEZBNKQXQTWBC-KRWDZBQOSA-N 361.398 4.107 5 1 FIBF Fc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)cc1 73159955 ZRPRPAYPNUQSQH-UHFFFAOYSA-N 356.364 4.451 5 1 FIBF O=[N+]([O-])c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Cl 587139084 VHVUMWJJNYEVKB-UHFFFAOYSA-N 355.703 4.327 5 1 FIBF Cc1ccc(-c2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(C)s2)cc1 587011725 BVDQDZCXZXRPKO-UHFFFAOYSA-N 351.391 4.273 5 1 FIBF Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3)c(=O)n(Cc3ccccc3)c12 1772588055 NKCYLMPJIYJVAI-UHFFFAOYSA-N 371.396 4.328 5 1 FIBF CN(C)CCCNc1nc2c3cccnc3ccc2c2cc3c(cc12)OCO3 71294405 ZSAVEMRPPKLIIL-UHFFFAOYSA-N 374.444 4.029 5 1 FIBF CC(C)(C)Oc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(N)cc1F 587135707 BHLGSECNAZXGHH-UHFFFAOYSA-N 362.336 4.176 5 1 FIBF Cc1cc2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587197713 LCVKMCXXCWBFCY-OAHLLOKOSA-N 362.430 4.344 5 1 FIBF O=c1cc(OCc2ccccc2)ccn1Cc1ccc([N+](=O)[O-])cc1Cl 29047650 RIQOGTFTKRBIMQ-UHFFFAOYSA-N 370.792 4.037 5 1 FIBF Cc1c(F)cccc1-c1cc(-c2nc3c(N)ccnc3[nH]2)cc([N+](=O)[O-])c1 587137042 QBSKNHASPPCGEM-UHFFFAOYSA-N 363.352 4.230 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Br)cc1 587643945 LBHOCXZUGFZGRT-UHFFFAOYSA-N 374.194 4.399 5 1 FIBF CC[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 2970345 MBEOUTOHYLDPFV-NSHDSACASA-N 350.447 4.227 5 1 FIBF CC(C)n1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc2ccccc2c1 95571872 HAZBQENKFYLNCA-UHFFFAOYSA-N 361.401 4.494 5 1 FIBF O=[N+]([O-])c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077318 RIZGUOGWPDCAQS-INIZCTEOSA-N 356.813 4.462 5 1 FIBF O=C(c1ccsc1Br)c1coc2cc([N+](=O)[O-])ccc12 587279823 CAWLRIHNHBSIMN-UHFFFAOYSA-N 352.165 4.396 5 1 FIBF Cc1cnc(NCCCN(C)C)c2c3ccc4c(O)cccc4c3n(C)c12 29331493 WVDIVDUSBDRROV-UHFFFAOYSA-N 362.477 4.257 5 1 FIBF COc1cc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-] 587262919 IEXVRIYAQUPPBV-UHFFFAOYSA-N 368.176 4.366 5 1 FIBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 587066055 GUVPLUXHSAIHIK-UHFFFAOYSA-N 353.769 4.286 5 1 FIBF CC(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270828 URJCVDWWTISUDC-UHFFFAOYSA-N 358.357 4.403 5 1 FIBF CC[C@]1(CSc2ccccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587407940 CVSKCKRHIQXJCG-LJQANCHMSA-N 372.446 4.392 5 1 FIBF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccc1[N+](=O)[O-] 587627045 MHAXCRLNLTZGCO-UHFFFAOYSA-N 372.764 4.056 5 1 FIBF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccc([N+](=O)[O-])c1 587627456 XCEGPSFTEHSARV-UHFFFAOYSA-N 372.764 4.056 5 1 FIBF CC[N+](C)(CC)CCC[C@H](N=O)C(O)(c1ccccc1)c1ccccc1 169689848 DXPNNUDKHWTZHL-NRFANRHFSA-N 355.502 4.324 5 1 FIBF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586881387 DVDNKMQURQYQHF-UHFFFAOYSA-N 371.780 4.053 5 1 FIBF CC(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586979398 BWDRJCAAEGTWLQ-UHFFFAOYSA-N 374.194 4.412 5 1 FIBF O=C1C[C@]2(CCOc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587512119 LGUUJLZRTNADSU-NRFANRHFSA-N 365.385 4.117 5 1 FIBF C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)NCCc2cccc(-c3ccccc3)c21 962671060 WCPRTJWMLPLWKX-QFIPXVFZSA-N 359.429 4.253 5 1 FIBF Cc1cc2[nH]c(-c3cnc(C)c(Br)c3C)nc2cc1[N+](=O)[O-] 586979802 VTDBHVCMYLTMCE-UHFFFAOYSA-N 361.199 4.221 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)cnc2[nH]1 587110093 RZMROCRQSTXBQE-UHFFFAOYSA-N 356.691 4.129 5 1 FIBF COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(OC)c1O 587784680 CAFMAVLCVZSOGS-UHFFFAOYSA-N 372.384 4.049 5 1 FIBF O=C1C[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 587509540 ZUBXCUBFRQFMQL-INIZCTEOSA-N 359.328 4.458 5 1 FIBF O=C(CCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587954177 HBSWONIHSFHHSF-UHFFFAOYSA-N 352.397 4.475 5 1 FIBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOc1ccc(-c3ccccc3)cc1)CC2 473084079 FIZUTXXZSWJNKS-GOSISDBHSA-N 365.389 4.079 5 1 FIBF COc1ccc([C@@H](c2ccccc2)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587938028 RXBDFYGZNPDZJX-GOSISDBHSA-N 360.373 4.055 5 1 FIBF Cc1nc(C(F)(F)F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)s1 587280301 RQQBIPWOLIXOKJ-UHFFFAOYSA-N 356.281 4.356 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])s1 587609061 BHGMSBFSWKWBJI-QAPCUYQASA-N 369.354 4.065 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1[N+](=O)[O-])CC2=O 587469170 XKCNNJNKSJWWBM-LJQANCHMSA-N 359.353 4.273 5 1 FIBF Cc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)n1nc(C)cc1C 98081998 MPHOEFFBQPLYMP-UHFFFAOYSA-N 370.412 4.274 5 1 FIBF Cc1cccc(C)c1NC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1 61852917 JHUKETOFMVFIPC-FQEVSTJZSA-N 367.449 4.377 5 3 FIBF CC(=O)n1c2cccc(Cl)c2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21 299823396 FUIGBEIQHBVFRY-UHFFFAOYSA-N 366.764 4.473 5 1 FIBF O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645048 IPVFMASBDUZTJA-UHFFFAOYSA-N 352.243 4.465 5 1 FIBF CCCN(c1cccc(OC)c1)c1ccc([N+](=O)[O-])c2[nH]c(C(=O)O)cc12 103242904 SBVPWOFNMHXEGG-UHFFFAOYSA-N 369.377 4.331 5 1 FIBF O=[N+]([O-])c1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 72113291 KJNGJOQTPUZDBL-HXUWFJFHSA-N 360.417 4.394 5 1 FIBF CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 841171 IOOQJTUJMJYIHI-IBGZPJMESA-N 352.346 4.132 5 1 FIBF COc1ccccc1CCOC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 40401120 DLAXHVQWEDSCFM-UHFFFAOYSA-N 366.826 4.213 5 1 FIBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 586879393 HTZVCZQUFKUIOT-UHFFFAOYSA-N 374.356 4.207 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587159226 NLTYVSGSHDQGLR-UHFFFAOYSA-N 371.246 4.088 5 1 FIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587744566 HAJMXLVSOQHOLE-GLKRBJQHSA-N 373.266 4.173 5 1 FIBF COc1cccc(C)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587787491 UYWXNWDSTGQILU-UHFFFAOYSA-N 362.183 4.218 5 1 FIBF Cc1ccc([C@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 5892436 DIQGJQZUFCSLAC-HXUWFJFHSA-N 351.406 4.214 5 1 FIBF O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1[N+](=O)[O-] 1857544802 BIAKPCRESIYWKY-UHFFFAOYSA-N 370.368 4.457 5 1 FIBF COc1ccc(Nc2nc(-c3cccnc3)nc3ccc([N+](=O)[O-])cc23)cc1 1857745085 NHRFTZLPNSUWGW-UHFFFAOYSA-N 373.372 4.352 5 1 FIBF CN(C)CCN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O 28818010 SYGWYBOJXOGMRU-UHFFFAOYSA-N 374.465 4.365 5 1 FIBF CN(C)Cc1cc(Cl)cc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 103216558 QOEJWQFASBJNMG-UHFFFAOYSA-N 358.781 4.083 5 1 FIBF O[C@H]1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 586904323 TWMSEODVBMNFTM-SZNDQCEHSA-N 352.397 4.228 5 1 FIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587273078 DAMAHRJMTGYRDU-CYBMUJFWSA-N 363.377 4.264 5 1 FIBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508941 GVXXKLFHGJTVPN-IBGZPJMESA-N 353.374 4.189 5 1 FIBF COc1cccc(-c2cc(F)cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 587160394 QMXBOQQPZWGESB-UHFFFAOYSA-N 364.336 4.348 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2 587390952 STMYEEZZYDFJII-JOCHJYFZSA-N 374.396 4.394 5 1 FIBF Cc1cc2[nH]c(-c3cccc(NC(=O)C(C)(C)C)c3)nc2cc1[N+](=O)[O-] 587242387 URAPFRAGERRFMT-UHFFFAOYSA-N 352.394 4.431 5 1 FIBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 587784747 ISEVWFVLRUNRRG-NWDGAFQWSA-N 371.780 4.068 5 1 FIBF COc1c(C)c(Br)c2c(=O)oc3c(C)c(O)ccc3c2c1C 28572205 IWDLFWORFMDTLN-UHFFFAOYSA-N 363.207 4.348 5 1 FIBF CC(=O)N[C@H](CC(=O)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 72114263 LGGUUWZVYOVQFT-HXUWFJFHSA-N 362.385 4.198 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(N)c(N)cc2[nH]1 586969879 ZTONLZTZJNDECX-UHFFFAOYSA-N 357.439 4.051 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013271 REALTUAIIANJDD-UHFFFAOYSA-N 365.212 4.235 5 1 FIBF Cc1cc(N(C)Cc2nc3cc(Cl)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F 587136694 IZPJCINANZGPJF-UHFFFAOYSA-N 366.755 4.348 5 1 FIBF CC[C@]1(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587961593 SEJSCERMJMVTKR-HXUWFJFHSA-N 367.380 4.378 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnc(Cl)[nH]c-2n1 586968384 CPSPZJCCDVDJFB-UHFFFAOYSA-N 363.830 4.281 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1F 587149123 PUPXWLNLNFITLW-UHFFFAOYSA-N 357.675 4.121 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])O2 587389951 OGJUNCSMKSKFAB-RBZFPXEDSA-N 354.406 4.088 5 1 FIBF O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(Br)cc2)N1 103162011 QHCFVCVTDFNHBX-AWEZNQCLSA-N 374.194 4.001 5 1 FIBF Cn1c2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3nc-2cc2cc(Cl)ccc21 138269553 OFOAAUONWKQBFF-UHFFFAOYSA-N 356.725 4.301 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cnc(Cl)s3)[nH]c12 587023713 UZNMBXRUEZYUAM-UHFFFAOYSA-N 359.592 4.011 5 1 FIBF COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1F 587270975 YWWIEPDSIVDYPH-UHFFFAOYSA-N 364.336 4.348 5 1 FIBF O=[N+]([O-])c1cncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196897 YUMHWEGGMXXDHF-UHFFFAOYSA-N 359.389 4.073 5 1 FIBF COc1ccccc1CC(=O)c1nc2c3cccnc3c3ncccc3c2[nH]1 587928615 ACPVCAUKFZGVCF-UHFFFAOYSA-N 368.396 4.093 5 1 FIBF Cc1c(-c2nc3cc(Cl)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979640 HDADBHNROIQLPM-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587927676 SKFKEJDWOOMZAZ-ZDUSSCGKSA-N 355.394 4.339 5 1 FIBF CCCN1[C@@H](c2ccc(NC(C)=O)c([N+](=O)[O-])c2)c2ccccc2C[C@H]1C 963231968 BVLUDPISLBJZHW-SZNDQCEHSA-N 367.449 4.299 5 1 FIBF Cc1cc(=O)oc2cc(OCCCN(C)C)c3c4ccccc4oc3c12 40566890 AVEURCNPMXFXGN-UHFFFAOYSA-N 351.402 4.331 5 1 FIBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N@+]4(C)O3)[C@@H]12 261183692 WRWFIBSHOMVGDI-RGCPVBDMSA-N 360.518 4.002 5 1 FIBF c1ccc2nc3c(nc2c1)c1ccccc1n3CCCCCN1CCOCC1 1772619915 OLWPLTWTEADWEM-UHFFFAOYSA-N 374.488 4.240 5 1 FIBF NCCCNc1nc2cccc(Br)c2c2[nH]c3ccccc3c12 169309459 BYBSTBBDEWIHIZ-UHFFFAOYSA-N 369.266 4.393 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)ncc3[nH]2)c1F 587139399 JLAQYOGJPOZKJA-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645184 KNGRGEHVJFBAHW-UHFFFAOYSA-N 352.243 4.465 5 1 FIBF COC(=O)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 3810804 OOTHGTPTLCSOEZ-OAQYLSRUSA-N 371.392 4.422 5 1 FIBF Cc1cc(NC(=O)c2c(F)cccc2F)nc2c1c(=O)oc1ccccc12 4108176 WUDBQNVGPKZVKS-UHFFFAOYSA-N 366.323 4.180 5 1 FIBF C[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1ccc(C(F)(F)F)n1 587280482 YFWOSCXFCWWNIB-QMMMGPOBSA-N 353.256 4.000 5 1 FIBF N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]1c1ccccc1F 587156422 NIHJWAHNOSLSNM-OYHNWAKOSA-N 369.403 4.140 5 1 FIBF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1[N+](=O)[O-] 963116901 BXAUQPHORIAATM-MRXNPFEDSA-N 353.205 4.145 5 1 FIBF C[N+](C)(C)c1cccc(OCCCCOc2cccc([N+](C)(C)C)c2)c1 40918216 JJKOOCPIEAVPCW-UHFFFAOYSA-N 358.526 4.318 5 1 FIBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587242248 PYODRMRSYAJTJT-UHFFFAOYSA-N 370.365 4.191 5 1 FIBF O=[N+]([O-])Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587622928 KAEZVEGKTLZTHL-UHFFFAOYSA-N 371.194 4.250 5 1 FIBF CCOc1ccc(CCNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82162283 ZYNPTVMFWYEYQC-UHFFFAOYSA-N 364.405 4.105 5 1 FIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl 587048443 VVIQGKQVUZGZEX-RQOWECAXSA-N 357.753 4.066 5 1 FIBF Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 653887014 XKYVXTVKNVEIEA-UHFFFAOYSA-N 365.374 4.139 5 1 FIBF Cc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1[N+](=O)[O-] 587006563 HBCNERVRXKNKSG-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF COc1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587108859 BLFVMSFILRNUTA-UHFFFAOYSA-N 351.284 4.089 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 587159751 WWPZJDQJGWLIKN-UHFFFAOYSA-N 371.246 4.088 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512895 PMRQCDDFQOUUCU-IBGZPJMESA-N 353.374 4.189 5 1 FIBF CSc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468587 OTFMYDQAHGKIGI-SCLBCKFNSA-N 371.418 4.086 5 1 FIBF CC(C)(C)OC(=O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])s1 65731644 BYLQQPFOVGYNME-UHFFFAOYSA-N 362.451 4.000 5 1 FIBF in-vitro Cc1c(-c2nc3ccc(Cl)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979925 KVBULQPNMXIGHQ-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1[N+](=O)[O-])CC2=O 587469169 XKCNNJNKSJWWBM-IBGZPJMESA-N 359.353 4.273 5 1 FIBF COc1cccc(C(=O)c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1 587930471 INWAPUMTQTUPHG-UHFFFAOYSA-N 373.368 4.378 5 1 FIBF O=c1c(Br)cc2nc3ccccc3sc-2c1Br 5809352 NJKSCPROPZWVKZ-UHFFFAOYSA-N 371.053 4.286 5 1 FIBF CN(C)CCCC(=O)Nc1ccc2cc3ccccc3cc2c1[N+](=O)[O-] 28713841 DBEYQSQVNULOGT-UHFFFAOYSA-N 351.406 4.182 5 1 FIBF O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2CCCC[C@H]21 29049492 WCPNKJFFGJBDGL-DNVCBOLYSA-N 365.433 4.452 5 1 FIBF CC(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1 1772570015 FKFGESLBLYGMRL-SFHVURJKSA-N 353.378 4.256 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2[N+](=O)[O-])N1 587748828 WSQIIVORLBNESZ-JDNHERCYSA-N 365.202 4.120 5 1 FIBF COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2cc1CC=C(C)C 2356725733 RWBDSGSYIFAYBT-UHFFFAOYSA-N 354.402 4.481 5 1 FIBF CN1C(=O)C(=N)c2c3ccccc3c(O)c3c(N4CCCCC4)ccc1c23 5091741 CUZWMOAELRSUJH-UHFFFAOYSA-N 359.429 4.033 5 1 FIBF Cc1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1[N+](=O)[O-] 587067929 BKLPBOCIGHIWGR-UHFFFAOYSA-N 353.769 4.490 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177596 PHYDPMGAHVFAFS-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc([N+](=O)[O-])c2)N1 587845631 FBHLBBVGTSURAH-WJWGPLDTSA-N 371.231 4.182 5 1 FIBF Cc1c(-c2nc3cc(F)cc(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979700 HZWRGXVOKLGKJQ-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF COC(=O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587048094 QFOLUJOTHZKMPA-VURMDHGXSA-N 357.753 4.082 5 1 FIBF CN(C)CCNC(=O)c1cccc2cc3cccc(-c4ccccc4)c3nc12 29561397 KSGHFZKKWVRRLX-UHFFFAOYSA-N 369.468 4.346 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2c1 71294532 ZGQQHAKVRGNDNW-UHFFFAOYSA-N 359.341 4.283 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029561 PZQPQFVULHZEDP-UHFFFAOYSA-N 352.375 4.174 5 1 FIBF Cc1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2cc1[N+](=O)[O-] 587108903 INHLSIFORMFLFO-UHFFFAOYSA-N 365.267 4.164 5 1 FIBF CN1CCN(c2ccc(-c3cc(=O)c4ccc5ccccc5c4o3)cc2)CC1 1857569416 LOEFIFZFIXTYNK-UHFFFAOYSA-N 370.452 4.365 5 1 FIBF O=C(/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccccc1 587243159 CAHQSIYWKFVFHB-KHPPLWFESA-N 365.396 4.311 5 1 FIBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103172645 UUDPRLRTAHNBAK-PVXIVEMSSA-N 350.371 4.121 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Cl 587177993 KRSMMGVNBMXVDD-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)c(Cl)c1 587644775 NGKPQQAGFUUIKB-UHFFFAOYSA-N 360.753 4.032 5 1 FIBF CC1(C)CCNc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc21 1911580688 XQFLOHHCAOIJJM-UHFFFAOYSA-N 356.451 4.497 5 1 FIBF COc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 6733329 AZOCTXWMCZGHIJ-NTUHNPAUSA-N 363.341 4.097 5 1 FIBF O=C(O)c1ccc2c(c1)nc(-c1ccccc1)c1nc(NC3CC3)ncc12 43206125 QMHQAKQXSBEHAC-UHFFFAOYSA-N 356.385 4.118 5 1 FIBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CS3)cc(O)c12 45373223 GOGKSYQNMRWPNQ-CQSZACIVSA-N 350.395 4.299 5 1 FIBF CCCCNCCc1cc(O)c(OC)c2c1ccc1cc(O)c(OC)cc12 38698708 KRGSTQDEZQNXOF-UHFFFAOYSA-N 369.461 4.354 5 1 FIBF CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644624 IKNVJHGBTWPRTE-UHFFFAOYSA-N 372.764 4.142 5 1 FIBF COc1ccc2c(c1OC)c([O])c1c3c(ccn1C)cc1c(c23)OCO1 2356835817 JACXYVYKONCILF-UHFFFAOYSA-N 350.350 4.374 5 1 FIBF COc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109716 MODFNOIIFIGNOA-UHFFFAOYSA-N 351.284 4.089 5 1 FIBF COC(=O)c1cccc2nc3c(C(=O)CCc4ccccc4)cccc3nc12 103221287 KNUMPKNQJKLXKU-UHFFFAOYSA-N 370.408 4.385 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1[N+](=O)[O-] 587108834 AAPXFWMTYINMHX-UHFFFAOYSA-N 370.218 4.204 5 1 FIBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501198 ARRCDZHOGVWPGL-HXUWFJFHSA-N 355.365 4.493 5 1 FIBF Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F 71715466 KWNMYUCUGZGVSI-UHFFFAOYSA-N 370.387 4.377 5 1 FIBF N[C@@H](N=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048283 RTYQWMCKJGLFQH-MRKPZDFFSA-N 357.757 4.019 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1F 586978960 DJWORYISBAQACP-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF Cc1cnc(Cl)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 587109476 LBRBHVJCRCQZFV-UHFFFAOYSA-N 370.718 4.438 5 1 FIBF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)Sc1ccc([N+](=O)[O-])cc1 10450439 PPJZFXKMEZSPDZ-NSHDSACASA-N 366.826 4.231 5 1 FIBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 34804429 WRGXLYXHBSPUAR-UHFFFAOYSA-O 373.904 4.348 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)O2 587382724 RGXUPEMALJNFOI-OAHLLOKOSA-N 366.295 4.211 5 1 FIBF O=c1cc(-c2cccc(N3CCOCC3)c2)oc2c1ccc1ccccc12 1857587642 BHUMCTDKJCTGFC-UHFFFAOYSA-N 357.409 4.450 5 1 FIBF CCN(CC)Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1 103169917 PEPIMECLBKDFHX-UHFFFAOYSA-N 352.390 4.210 5 1 FIBF O=c1cc(COc2ccccc2)[nH]cc1Oc1cccc([N+](=O)[O-])c1Cl 473117854 IYCNNMBFHWWZJX-UHFFFAOYSA-N 372.764 4.308 5 1 FIBF Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587260931 LUJYEPFJQYOHRK-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF C[N+](C)(CCCCOc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])o1 169318420 NRBCMBTWCSLIKH-UHFFFAOYSA-N 353.826 4.277 5 1 FIBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCC3 14945571 ULAFGGWZPQSXLR-UHFFFAOYSA-N 365.392 4.259 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@@H]3C[C@H]23)c2ccccc12 169718564 XECKIPBEEMWJSX-PYHGIMPFSA-N 360.369 4.337 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2)N1 587750277 HGWIVUDYLMATFC-FVMDXXJSSA-N 365.202 4.120 5 1 FIBF CC(C)COc1ccc(-c2nc(-c3ccnc(Cl)c3)n[nH]2)cc1[N+](=O)[O-] 39365983 NZWIZGDFGDJSAD-UHFFFAOYSA-N 373.800 4.130 5 1 FIBF CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(=O)c2cc(C)cc(N)c2O1 587389646 MHKIDLDYYJXNSL-HXUWFJFHSA-N 365.389 4.237 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587267531 MHOAXDLBPTYDSB-QMMMGPOBSA-N 371.344 4.197 5 1 FIBF COc1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n1 587271997 MZIMVGQWOFRNEP-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF COC(O)=C1C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F 2356874841 YTMCTWONBYRCCU-CYBMUJFWSA-N 356.300 4.188 5 1 FIBF O=c1c2c(O)cc(OC[C@H]3CS3)cc2oc2ccc3ccccc3c12 45368992 YETNTCNTUVTKSU-ZDUSSCGKSA-N 350.395 4.299 5 1 FIBF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 586907074 JVHLMUHOAZLQJD-GFCCVEGCSA-N 368.396 4.240 5 1 FIBF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 13800168 VNKSUONYUGXCCC-NAVKQXHLSA-N 352.434 4.326 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)c(F)c3[nH]2)c1 587270974 YUXWJERWBKPBBB-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587951700 IWJYGTQMGFNLSJ-MMPTUQATSA-N 362.386 4.426 5 1 FIBF O=[N+]([O-])c1cncc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016064 OKRAYWLQVWHCTJ-UHFFFAOYSA-N 357.782 4.310 5 1 FIBF Cc1ccc([C@@H](OCCn2c([N+](=O)[O-])cnc2C)c2cccs2)cc1 28472802 SQKXGONJUQJKHY-GOSISDBHSA-N 357.435 4.276 5 1 FIBF CC(C)(C)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263905 HWAUEHMCQCEGSV-UHFFFAOYSA-N 354.366 4.268 5 1 FIBF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2cccc([N+](=O)[O-])c12 587644177 OYXWMNNLZCLFAJ-UHFFFAOYSA-N 351.573 4.080 5 1 FIBF CCOc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OCC 14969833 NRSVCCCLPWTSBI-UHFFFAOYSA-N 362.433 4.206 5 1 FIBF CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645966 HFHPDBJWGUFOGN-UHFFFAOYSA-N 364.279 4.337 5 1 FIBF CN1CCN(c2c3cc(Cl)ccc3nc3[nH]c4ccccc4c23)CC1 40979327 BODCYYPAWVCMPI-UHFFFAOYSA-N 350.853 4.275 5 1 FIBF C[N+](C)(CCOc1ccc(Cl)cc1Cl)Cc1ccc([N+](=O)[O-])o1 59721761 DUTLLMRQQHRYFO-UHFFFAOYSA-N 360.217 4.150 5 1 FIBF [O-][N+](CCc1c[nH]c2ccccc12)(Cc1ccccn1)Cc1ccccn1 71334627 AVVZLERUBDNOLA-UHFFFAOYSA-N 358.445 4.215 5 1 FIBF CCOc1cc(OCC)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279770 RLZUIVCJYLOYAF-UHFFFAOYSA-N 355.346 4.369 5 1 FIBF Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)cccc1[N+](=O)[O-] 587261107 UBRNPEYKKAHGPL-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF COc1cc(Sc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1OC 28651317 UVYRXUBDDSQYFL-UHFFFAOYSA-N 360.391 4.253 5 1 FIBF Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163643 CXJDNQKQQKAOGA-UHFFFAOYSA-N 365.393 4.006 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccsc3)[nH]c12 587024823 DNCCPKQKNRKEQU-UPHRSURJSA-N 350.197 4.466 5 1 FIBF COCCNc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1[N+](=O)[O-] 587266433 XMAUWVXFQMTNFW-UHFFFAOYSA-N 362.389 4.350 5 1 FIBF O=[N+]([O-])c1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587875414 FDYRTVCQKIUUQR-UHFFFAOYSA-N 354.322 4.302 5 1 FIBF N[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]1c1ccccc1F 587155702 KJGHQTGEEASITJ-XMHCIUCPSA-N 369.403 4.140 5 1 FIBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(C)CC3 95560067 DUPSJUHCHMUCKD-UHFFFAOYSA-N 367.445 4.015 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)O2 587377776 ZCXWWWUMYKWTKX-HNNXBMFYSA-N 367.188 4.499 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])s2)N1 587849335 SUZAJGOKKQNBCL-NXSYQRQQSA-N 371.231 4.182 5 1 FIBF CC(C)c1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)cc1 1772622664 QBNDCXACJHMLCQ-VQTJNVASSA-N 365.433 4.228 5 1 FIBF COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccccn4c32)cc1 103232333 WIRFAUJTSRMRTH-UHFFFAOYSA-N 369.424 4.054 5 1 FIBF O=[N+]([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)c1ccc(Cl)cc1 940569 RNEFWNQDCICHLR-UHFFFAOYSA-N 365.716 4.100 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccccc1S 98085660 VLVIJFKZGZRXJO-IBGZPJMESA-N 369.446 4.195 5 1 FIBF Cc1c[nH]c(NC[C@H](C)CN(C)C)c2c3c(ccc4cc(O)ccc43)nc1-2 100792020 BQKXDJGDVVEQBE-ZDUSSCGKSA-N 362.477 4.445 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)O2 587381412 IKYIRHTXUXSDPV-HNNXBMFYSA-N 366.295 4.211 5 1 FIBF CC(C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 776240 URWPDLCYZYKKSC-UHFFFAOYSA-N 365.817 4.339 5 1 FIBF O=[N+]([O-])c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1[N+](=O)[O-] 587968634 VUUPBMBDBXHZLS-UHFFFAOYSA-N 354.366 4.219 5 1 FIBF COc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261140 VWOTUVJWUWSCQX-UHFFFAOYSA-N 368.176 4.462 5 1 FIBF Oc1ccccc1C1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 586896648 HBGSHQIBCQNARM-UHFFFAOYSA-N 352.397 4.445 5 1 FIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C)cc2[nH]1 587262209 GDYIWGIZXGOXRJ-LBPRGKRZSA-N 369.377 4.131 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc([N+](=O)[O-])c1F)CC2=O 587465974 ILVVIBFJUJXXJC-IBGZPJMESA-N 359.353 4.273 5 1 FIBF COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 40875405 AZOCTXWMCZGHIJ-QPEQYQDCSA-N 363.341 4.097 5 1 FIBF COc1cc2cc[n+]3c4cc(OC)c(OC)cc4c(C)cc3c2cc1OC 1619035 WTPOUALVYSCXFZ-UHFFFAOYSA-N 364.421 4.075 5 1 FIBF COc1cc(OCc2nc3cccc(C(C)(C)C)c3[nH]2)ccc1[N+](=O)[O-] 587263436 UHOUEMDDNIOOEQ-UHFFFAOYSA-N 355.394 4.356 5 1 FIBF CNc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508951 HHQMHTVVMDDCEV-IBGZPJMESA-N 352.390 4.222 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2nc(Cl)c[nH]c-2n1 586968479 FALHXFINBJROLJ-UHFFFAOYSA-N 363.830 4.281 5 1 FIBF FC(F)=C(C[C@H]1CCCN1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587088609 QAXUJMBETGZKKJ-LLVKDONJSA-N 365.387 4.409 5 1 FIBF COc1ccc(-c2nc3c(cc(O)c4c(=O)c5ccccc5oc43)o2)cc1 1857751829 QGKYHDUELHAXNZ-UHFFFAOYSA-N 359.337 4.469 5 1 FIBF Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCCCC(=O)O 169347031 NEXGMNVENZPKRW-UHFFFAOYSA-N 357.476 4.406 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586896730 WKIWQZHXRCLDHR-UHFFFAOYSA-N 374.194 4.019 5 1 FIBF COc1cc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] 587262881 GPOHAQKTBHQHBF-UHFFFAOYSA-N 367.283 4.078 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])s1 587609060 BHGMSBFSWKWBJI-MAUKXSAKSA-N 369.354 4.065 5 1 FIBF Cc1c(Cl)cccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2498666 VPLIKOGYHZELOC-KSSFIOAISA-N 373.796 4.326 5 1 FIBF CN(Cc1ccccc1)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95579499 FHWAAZNOGGJAJI-UHFFFAOYSA-N 363.420 4.012 5 1 FIBF Cc1cc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2cc1[N+](=O)[O-] 587079628 JPESTHWFPNZERZ-CYBMUJFWSA-N 369.812 4.157 5 1 FIBF COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Cl 587270006 UWIMVNCGAOLAOS-UHFFFAOYSA-N 372.812 4.400 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N(C)Cc1ccccc1Cl 587644413 BUGTWMPARVZLHS-UHFFFAOYSA-N 357.797 4.310 5 1 FIBF O=C1O/C(=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 586907793 XJLHWNKPDPGBNZ-LFIBNONCSA-N 364.364 4.328 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587007315 ZTQMXKRQIQPECA-UHFFFAOYSA-N 357.167 4.153 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1F 587029622 RSMLQZUXRVELJN-UHFFFAOYSA-N 370.365 4.313 5 1 FIBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587507889 CONWOBGGJBCCTH-GOSISDBHSA-N 368.345 4.088 5 1 FIBF COc1ccc(/C=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 6733328 KIXSZXOSDLWBNF-NTUHNPAUSA-N 363.341 4.097 5 1 FIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)cc1 587271901 KVYCDXJCSQSWTP-UHFFFAOYSA-N 367.752 4.325 5 1 FIBF O=C(c1cc2cc([N+](=O)[O-])ccc2o1)n1nc2cc1Oc1ccc(F)cc1-2 587874654 HINYHKYXPYSXAX-UHFFFAOYSA-N 365.276 4.138 5 1 FIBF CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2cc([N+](=O)[O-])ccc12 587647144 RSTHCKJZTRPOMU-UHFFFAOYSA-N 361.398 4.317 5 1 FIBF CSc1nsc(SC)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280590 KZLAAASSJBCWKT-UHFFFAOYSA-N 366.445 4.472 5 1 FIBF C[C@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586960927 DJHDINHVTDLMQD-JTQLQIEISA-N 358.379 4.374 5 1 FIBF O=[N+]([O-])c1cccc(CNc2ccnc3oc4ccc([N+](=O)[O-])cc4c23)c1 1857640689 YOLJVFDRUKWAAL-UHFFFAOYSA-N 364.317 4.410 5 1 FIBF COC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1cccc([N+](=O)[O-])c1 27728193 ZFFNFBMBLAAUBL-KRWDZBQOSA-N 356.403 4.301 5 1 FIBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3)s2)cc([N+](=O)[O-])c1 221020671 YEMDBQQGYINYML-UHFFFAOYSA-N 374.403 4.314 5 1 FIBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587050292 XRBOBHDKPLGZGA-UHFFFAOYSA-N 358.785 4.386 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587160027 CJADQZHZUFLFAK-UHFFFAOYSA-N 359.320 4.374 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc([N+](=O)[O-])c2)N1 587848679 PJDNGECFOUZMNL-NXSYQRQQSA-N 371.231 4.182 5 1 FIBF COc1nccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272633 XANXINJHOCVBAC-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(CCc3ccccc3F)[nH]c12 587151171 WMHYJOHHXNFAGB-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 27087874 WGXMXIUHXOZPMP-LLVKDONJSA-N 368.776 4.002 5 1 FIBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587076690 ZFURDROYSWFUCM-UHFFFAOYSA-N 353.769 4.286 5 1 FIBF COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2cc(Cl)c(F)cc12 587631642 RQJUSLXHLDOVFK-UHFFFAOYSA-N 362.744 4.246 5 1 FIBF CN(C)C(=O)[C@@H]1CON(C)[C@H]1c1ccc2ccc3cccc4ccc1c2c34 84602697 FBFDMMZFTIBRHG-KNQAVFIVSA-N 358.441 4.207 5 1 FIBF Cn1c2ccccc2c(=O)c2ccc(NCc3ccc4c(c3)OCO4)cc21 61969078 CATZKDLABFOHBJ-UHFFFAOYSA-N 358.397 4.033 5 3 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1 587643223 BYFXCMHIINNGIU-UHFFFAOYSA-N 359.179 4.378 5 1 FIBF O=C1C[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)Oc2c1ccc1c2CCCC1 587505381 MNOXNWBLOVKKPZ-SFHVURJKSA-N 359.328 4.458 5 1 FIBF O=Cc1ccc(OCc2occc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586901654 VQWZILFLCZAGIE-UHFFFAOYSA-N 363.329 4.123 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 587269472 DFHNGMNNJYCAMV-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF CCOCc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)o1 586903122 LUGPJEVDSZFBLE-UHFFFAOYSA-N 366.171 4.030 5 1 FIBF C[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277644 ZMIJBEAEDRVAGD-GFCCVEGCSA-N 365.418 4.428 5 1 FIBF Cc1c[nH]c(NC[C@@H](C)CN(C)C)c2c3c(ccc4cc(O)ccc43)nc1-2 100792017 BQKXDJGDVVEQBE-CYBMUJFWSA-N 362.477 4.445 5 1 FIBF O=c1c2ccccc2oc2ccc(OC[C@H]3CC[C@@H](C(=O)O)CC3)cc12 2382258886 PYBWFJSCDZFBGN-OKILXGFUSA-N 352.386 4.216 5 1 FIBF CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccncc1 587647152 RXNMZCPXBTYSAP-UHFFFAOYSA-N 368.393 4.163 5 1 FIBF Cc1c(-c2nc3cc(Cl)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980392 WVHDULGDOJRVGO-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc2ccccc2c1 96932557 OHIJZJHGDNTZSN-NRFANRHFSA-N 359.385 4.446 5 1 FIBF CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc([N+](=O)[O-])cc31)CC2=O 587472265 ZMEKHKAPUMIJJW-FQEVSTJZSA-N 367.357 4.020 5 1 FIBF Cc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12 594520 KFIFSKNSIUVOCG-UHFFFAOYSA-N 359.477 4.242 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc([N+](=O)[O-])c2)N1 587848681 PJDNGECFOUZMNL-WJWGPLDTSA-N 371.231 4.182 5 1 FIBF CNc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587510385 KPKUXFWAMYFGEW-NRFANRHFSA-N 366.417 4.396 5 1 FIBF C[N+](C)(C)C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1COC(=O)Nc1ccc(Cl)cc1 169336778 NNPUZNSEENZRQO-USJZOSNVSA-O 351.898 4.257 5 1 FIBF CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 587014633 NZXBLRQFSBBNMF-QMMMGPOBSA-N 350.375 4.140 5 1 FIBF O[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1Cl 587058699 IEPWYQPDNYEONX-IBGZPJMESA-N 360.804 4.394 5 1 FIBF COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587644635 JAHYHBCEFWSQAC-UHFFFAOYSA-N 359.769 4.299 5 1 FIBF CCOc1c(OC)ccc2c1c[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 96937404 NWKWWVGKXCLSCZ-UHFFFAOYSA-N 374.416 4.126 5 1 FIBF COc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2n1 587272688 XTFAPWJAJTYNOK-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF Cc1cc2[nH]c(-c3cc(Br)cc(C=O)c3)nc2cc1[N+](=O)[O-] 586981390 BAGSPBIGPJKOSO-UHFFFAOYSA-N 360.167 4.022 5 1 FIBF O=[N+]([O-])c1cc(Nc2nc(-c3cccnc3)nc3ccccc23)ccc1O 1772636991 PCHNKYFIDKTLKO-UHFFFAOYSA-N 359.345 4.049 5 1 FIBF O=[N+]([O-])c1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl 587048555 XHJHIHCMMNCNTI-RQOWECAXSA-N 369.690 4.055 5 1 FIBF O=[N+]([O-])c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1[N+](=O)[O-] 587073427 INUDYGBMDHGUQL-UHFFFAOYSA-N 372.768 4.307 5 1 FIBF O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1 13680207 OONPNCJWYSAVGC-UHFFFAOYSA-N 364.361 4.213 5 1 FIBF COc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1 587149125 PVQYFKVWEMTGFH-UHFFFAOYSA-N 358.376 4.398 5 1 FIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C1c3ccccc3Oc3ccccc31)C2 100368273 KBVFFWSKLQHNSS-FVQHAEBGSA-N 364.465 4.237 5 1 FIBF in-man C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587113501 LONDUQHORFHJML-SECBINFHSA-N 350.300 4.231 5 1 FIBF N=c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2[nH]1 587253442 INXLSSBWYIOTTD-UHFFFAOYSA-N 362.396 4.287 5 1 FIBF COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)ccc1Cl 587645096 VGSOYEGPLVYAEQ-UHFFFAOYSA-N 360.753 4.032 5 1 FIBF O=C(O)c1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587047365 HQZVBKMTWKYEJM-DUXPYHPUSA-N 361.716 4.132 5 1 FIBF C[C@]1(COc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587514469 ZACCRQQNBPWJJS-OAQYLSRUSA-N 367.401 4.277 5 1 FIBF O=[N+]([O-])c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Cl 587165213 MVGDXLBTIPWNDI-UHFFFAOYSA-N 371.759 4.175 5 1 FIBF CCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1 100706041 JRXKAEGEVNAEPB-UHFFFAOYSA-N 366.402 4.251 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 587269509 FCAZQGVGFSDIMW-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1)c1ccccc12 1613478 UJCNJJOHMYCWBI-UHFFFAOYSA-N 369.468 4.346 5 1 FIBF O=[N+]([O-])c1ccccc1-c1nc2cnc3cc(Br)ccc3c2[nH]1 73221503 DTEQOLGYYWWQRS-UHFFFAOYSA-N 369.178 4.449 5 1 FIBF CN(CCOc1ccc2c(c1)oc(=O)c1ccccc12)Cc1ccccc1 221971487 WLMCUWNVWHWZRR-UHFFFAOYSA-N 359.425 4.457 5 1 FIBF Cc1nn(-c2ccccc2)c2c1c(=O)oc1cc(Cl)c([N+](=O)[O-])cc12 1857751093 WKRDIQCPGBGJRD-UHFFFAOYSA-N 355.737 4.002 5 1 FIBF COc1ccc(-c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3[nH]2)cc1 29135958 ADSNNYRCBVHWCE-UHFFFAOYSA-N 359.360 4.372 5 1 FIBF O=[N+]([O-])c1cnc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587076057 HZPAGLJPXHKHIM-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF CC(C)Oc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1O 100826059 JLXBWDKWFPECHU-UHFFFAOYSA-O 362.405 4.192 5 1 FIBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ncncc12 66111473 OLURLVRSWYHKKA-UHFFFAOYSA-N 350.765 4.273 5 1 FIBF Cc1nc(COc2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cs1 587020232 IWLRLHKJTURDBJ-UHFFFAOYSA-N 366.402 4.482 5 1 FIBF CCn1ccc2ccc3c4[nH]c5ccccc5c4c4c(c3c21)C(=O)NC4=O 13534907 WHGJISNHJVBRGV-UHFFFAOYSA-N 353.381 4.333 5 1 FIBF O=C1c2cccnc2-c2nccc3c2c1nc1ccc(Br)cc13 1857525 IEMDEAMHQYKMCM-UHFFFAOYSA-N 362.186 4.152 5 1 FIBF COc1cccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c12 586979722 IXMIPKXXEPTAAO-UHFFFAOYSA-N 362.183 4.218 5 1 FIBF CC1(C)CC[N+](C)(C)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 1911575412 CJEJSIUDCFUBGH-UHFFFAOYSA-O 369.445 4.487 5 1 FIBF COc1nccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587272448 SSNPNXFMZSWQEG-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF O=C(CSCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1 1857752519 VGEAMDQOHBXBPN-UHFFFAOYSA-N 361.810 4.241 5 1 FIBF COc1cc2oc3c(OC)c4c(cc3c(=O)c2cc1OC)OC(C)(C)CC4 96928336 CWIJMPDVKSQPFW-UHFFFAOYSA-N 370.401 4.076 5 1 FIBF CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 587507948 DOWYWXCTDAANRD-IBGZPJMESA-N 367.401 4.448 5 1 FIBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCN1CCCCC1 27853919 XNLDCHPULAAIIQ-UHFFFAOYSA-N 358.441 4.075 5 1 FIBF CSc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264714 KHAXUKHHAIQIAA-VIFPVBQESA-N 373.394 4.274 5 1 FIBF Cn1c(=O)c2c3ccccc3c(C(=O)c3ccccc3)n2c2ccccc21 1628828 UQDAKFYKLTXINQ-UHFFFAOYSA-N 352.393 4.175 5 1 FIBF COc1cc(/C=C(\Cn2ccnc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 53295005 YQTVYGYCYRUXSY-RQZCQDPDSA-N 365.389 4.049 5 1 FIBF Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 82163511 CBGRDSPOXUATHX-UHFFFAOYSA-N 367.409 4.107 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1F 587139883 RHBIEJUNHBUXON-UHFFFAOYSA-N 371.658 4.252 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c2ccccc12 169718566 XECKIPBEEMWJSX-ZQDZILKHSA-N 360.369 4.337 5 1 FIBF COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2c(C)cc(Cl)cc12 587626939 KPTOVZSMFWWMOA-UHFFFAOYSA-N 358.781 4.415 5 1 FIBF Cc1ccc2c(ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c32)n1 587158409 DSFAXRGXYSYZDN-UHFFFAOYSA-N 352.325 4.046 5 1 FIBF COc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F 587644767 BUHSIGPKEFYXJS-UHFFFAOYSA-N 364.279 4.497 5 1 FIBF O=[N+]([O-])c1ccc(C[C@@H](c2cccc3ccccc23)P(=O)(O)O)cc1 29482397 UXRRYYZGHRGLDM-SFHVURJKSA-N 357.302 4.210 5 1 FIBF O=c1c2c(O)cc(OC[C@@H]3CS3)cc2oc2ccc3ccccc3c12 45368986 YETNTCNTUVTKSU-CYBMUJFWSA-N 350.395 4.299 5 1 FIBF CC(=O)NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(C)CC1 587234882 YCVNYUYNUHLQSC-UHFFFAOYSA-N 373.460 4.201 5 1 FIBF COc1ccc([C@@H]2NC(=O)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1 1661697 RMVBTEVXOKLDCL-SFHVURJKSA-N 372.380 4.179 5 1 FIBF O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccc2c1[nH]c1ccccc12 73140568 OMXWCBTUJVLHNV-UHFFFAOYSA-N 356.341 4.337 5 1 FIBF O=[N+]([O-])c1cccc(NC(=S)N[C@@H]2CCOc3ccc(Cl)cc32)c1 84729105 KTZDWMQYTLYXRJ-CQSZACIVSA-N 363.826 4.058 5 1 FIBF COc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br 586978043 XQFYZDCFNSVGIM-SOFGYWHQSA-N 374.194 4.413 5 1 FIBF CC(C)(C)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091189 BZDVFGGLIHHPFW-UHFFFAOYSA-N 367.331 4.194 5 1 FIBF COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1C(C)(C)[C@@H](C)O2 28764055 NXSKFRVGWOFNNM-SNVBAGLBSA-N 370.401 4.031 5 1 FIBF biogenic Cc1ncc([N+](=O)[O-])n1CCCOC(c1ccccc1)c1ccccc1 29336544 ROBWCVHNVOMQMS-UHFFFAOYSA-N 351.406 4.296 5 1 FIBF CCN(CC)CCNc1ccc(C)c2sc3c(N)cccc3c(=O)c12 5390473 BRCIRYKGTHOVAU-UHFFFAOYSA-N 355.507 4.059 5 1 FIBF COc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(C(F)(F)F)c1 587098616 VETHTBQJSUCRNF-UHFFFAOYSA-N 351.284 4.474 5 1 FIBF O=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12 103239782 LCXFJNAPNKZSFF-UHFFFAOYSA-N 358.735 4.147 5 1 FIBF O=[N+]([O-])c1cccc2c(Oc3ccccc3Br)cc(O)nc12 299867896 QROAGXGMLJLKCH-UHFFFAOYSA-N 361.151 4.403 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)O2 587390977 TXZWNAHEOBCJGR-HXUWFJFHSA-N 354.406 4.187 5 1 FIBF CCN(CC)CCNc1ccc(COC)c2sc3ccccc3c(=O)c12 100974552 HOKFWBXSDJLRHI-UHFFFAOYSA-N 370.518 4.315 5 1 FIBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)cc1 587644616 IANHXWJYCOLFCH-UHFFFAOYSA-N 372.764 4.137 5 1 FIBF Cc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1[N+](=O)[O-] 587004597 XQNQTNZTJUOKSU-UHFFFAOYSA-N 372.182 4.085 5 1 FIBF Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1 3815106 ZZAZKOOJVIBTOP-UHFFFAOYSA-N 352.195 4.079 5 1 FIBF CCNCCCCNCCCNCc1c2ccccc2cc2ccccc12 40848432 LHJYJYHANSONQU-UHFFFAOYSA-N 363.549 4.452 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587268142 XOAHMGGOOUCTGR-CYBMUJFWSA-N 363.377 4.378 5 1 FIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587746035 LCWCXOVJKADITK-GLKRBJQHSA-N 373.266 4.173 5 1 FIBF O=c1[nH]ccc2c(Nc3c(F)cccc3C(F)(F)F)nc3ccncc3c12 103239759 ZKARUZSOFAZGMB-UHFFFAOYSA-N 374.297 4.373 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587015730 JGGGZOAWQGJWAU-UHFFFAOYSA-N 357.782 4.310 5 1 FIBF Nc1ccc(C(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587251937 RPSUSIOSOXAURG-UHFFFAOYSA-N 367.412 4.057 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC)c1[N+](=O)[O-])CC2=O 587472564 JXLRPOAYGQREBH-HXUWFJFHSA-N 371.389 4.142 5 1 FIBF COCCCOc1cc(-c2ccc([N+](=O)[O-])c3cccnc23)ccc1OC 1857642574 LWTHWDMPWIUYMO-UHFFFAOYSA-N 368.389 4.234 5 1 FIBF COc1c(F)ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1N 587132931 LBYDERBDJPVETN-UHFFFAOYSA-N 359.364 4.056 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)O2 587381413 IKYIRHTXUXSDPV-OAHLLOKOSA-N 366.295 4.211 5 1 FIBF CCN1CCC[C@H]1CN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O 27868060 GHXNVTWQELVNQV-KRWDZBQOSA-N 358.441 4.073 5 1 FIBF N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1cccc2ccccc12 587258670 IOQLIBSZWURQPI-HNNXBMFYSA-N 350.353 4.006 5 1 FIBF O=C(Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(Cl)ccc1O 1911577116 DDYZDHRELNHRNM-UHFFFAOYSA-N 360.675 4.225 5 1 FIBF CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 1858530 PVLNLHQHWKFLFQ-LJQANCHMSA-N 352.346 4.132 5 1 FIBF Cc1cc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c(C)n1 587108846 APWRHSJWNHOWLB-UHFFFAOYSA-N 350.300 4.093 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1F 587160990 ILJGXIVJRXDCQL-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF COc1cccc2c1oc1c3c(cc4c1c2nn4CCO)OC(C)(C)C=C3 26577551 MRVGSIQTTGFVIC-UHFFFAOYSA-N 364.401 4.121 5 1 FIBF O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1Cl 13476449 LVERQUAJCNJBGH-UHFFFAOYSA-N 363.204 4.499 5 1 FIBF O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 164859336 GYTOVXSJLMFOHX-RZDIXWSQSA-N 373.384 4.246 5 1 FIBF O=C(c1ccc(F)c(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 587280419 WNOLDRDHJWECNZ-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF Cc1ccc(C)c(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587959838 WUQDGTQZVMHDBA-UHFFFAOYSA-N 360.211 4.441 5 1 FIBF CC(C)(C)OC(=O)C1=Cc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1 1772651830 MVOSBPVMCOXQEF-UHFFFAOYSA-N 366.417 4.340 5 1 FIBF O=c1cc(N2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1 1857580025 DXXLFDKHZZXEKR-UHFFFAOYSA-N 356.425 4.273 5 1 FIBF CCN(CC)Cc1ccc2nc3ccc(CN(CC)CC)cc3nc2c1 6382516 OSULRBOJFHBZLR-UHFFFAOYSA-N 350.510 4.467 5 1 FIBF CC(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68575343 IFHFWZOQRDGHFV-UHFFFAOYSA-N 364.629 4.318 5 1 FIBF biogenic COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3)oc12 2382245132 LMALGKIXBMWJKE-UHFFFAOYSA-N 363.369 4.034 5 1 FIBF CC[N+](C)(CC)CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1 299830771 OPNXXZYFQIWXMD-UHFFFAOYSA-O 370.469 4.297 5 1 FIBF O=[N+]([O-])c1ccc(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)o1 1857770249 SZFNVCZTNFUYLQ-UHFFFAOYSA-N 370.327 4.466 5 1 FIBF Cc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160025 CIGIBDBSPJEZAC-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF O=[N+]([O-])c1csc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961612935 FUMYQQYQXVKIBJ-CQSZACIVSA-N 365.252 4.187 5 1 FIBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587927767 UJNWNPXJOMYDNW-LLVKDONJSA-N 359.357 4.169 5 1 FIBF COc1cccc(-c2cc(F)cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 587160578 WXGOJMKYSVENDR-UHFFFAOYSA-N 364.336 4.348 5 1 FIBF COc1cccc(CCOC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 40423471 MNSMHXFUODOPRD-UHFFFAOYSA-N 366.826 4.213 5 1 FIBF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587507249 BLGWHGILHMOTMN-OAQYLSRUSA-N 367.401 4.363 5 1 FIBF CC(C)=CCOc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C 27555202 KVNROQALSFXJDQ-UHFFFAOYSA-N 352.386 4.227 5 1 FIBF COc1cc(OC)c2c(O)c3c(=O)cc(Cc4ccccc4)oc3cc2c1 140237818 LSWQVEMBAYSPJE-UHFFFAOYSA-N 362.381 4.260 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC)c([N+](=O)[O-])c1)CC2=O 587472873 NULGJDWFHDTXAH-HXUWFJFHSA-N 370.405 4.175 5 1 FIBF O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645046 IMWFBVAVFQEFSL-UHFFFAOYSA-N 350.252 4.032 5 1 FIBF CCc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 169342961 LZHFTQHKPBIIPY-UHFFFAOYSA-N 359.309 4.333 5 1 FIBF Nc1c(F)c(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1F 587136801 NIWBXBQXXGDREL-UHFFFAOYSA-N 365.318 4.326 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1[N+](=O)[O-] 587023558 MAKZRHFESPJSFC-UHFFFAOYSA-N 367.346 4.170 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2=O 587473530 XCNIYPAEAFARRZ-IBGZPJMESA-N 370.405 4.025 5 1 FIBF Cc1cc2[nH]c(COc3cccc(OCC(C)C)c3)nc2cc1[N+](=O)[O-] 587565452 ASFGRFCUEREBQE-UHFFFAOYSA-N 355.394 4.393 5 1 FIBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)NC(C)(C)C)ccc21 169327702 ZIWWSNJXELSZNZ-UHFFFAOYSA-N 350.462 4.483 5 1 FIBF Nc1ccc(-c2ccc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3c2)cc1N 587160544 VSMXSXSUXFWGNY-UHFFFAOYSA-N 363.352 4.109 5 1 FIBF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512233 WFYJDYRWAOQIMA-FQEVSTJZSA-N 366.417 4.246 5 1 FIBF O=C(c1c(F)cccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587280324 SPHJDEPKQHFMKQ-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF Clc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)c1 66111754 IGKXMIGRJGFVEE-UHFFFAOYSA-N 373.807 4.360 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1[N+](=O)[O-] 587085705 BRCDBGSARKDKTH-UHFFFAOYSA-N 369.724 4.248 5 1 FIBF Cc1cc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2cc1[N+](=O)[O-] 587135336 XHBYHMSFHXEOOU-UHFFFAOYSA-N 357.288 4.292 5 1 FIBF CCc1ccccc1NC(=O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587240716 IIXDHLPUSMIATI-UHFFFAOYSA-N 367.412 4.474 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1 587576003 MEDTYBNUKVMDRB-PXNSSMCTSA-N 363.325 4.003 5 1 FIBF O=C(O)c1ccc(C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 13740022 DWCCOSWGQYUFFH-UHFFFAOYSA-N 363.325 4.316 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])O2 587378790 PXHUOBTUGYTGDT-GOSISDBHSA-N 360.797 4.105 5 1 FIBF Cc1cc2[nH]c(-c3cc(F)cc(Br)c3)nc2cc1[N+](=O)[O-] 587160983 HXLFHORWANREOQ-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF CCc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCOCC2)cc1 587648742 KOPFKTKBUUPVGK-UHFFFAOYSA-N 351.406 4.142 5 1 FIBF O=c1cc(N2CCN(c3ccccc3F)CC2)c2ccc3ccccc3c2o1 1857551447 QGMWPELAPSEYRC-UHFFFAOYSA-N 374.415 4.412 5 1 FIBF O=C(NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086278 RORKNYKSSMCUBK-UHFFFAOYSA-N 357.435 4.339 5 1 FIBF COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2ccc(F)c(Cl)c12 587631268 JTPFYUOASPCLCY-UHFFFAOYSA-N 362.744 4.246 5 1 FIBF COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261078 SBYSHANCUWDCTN-UHFFFAOYSA-N 364.361 4.012 5 1 FIBF COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587935096 PHWASNPTDWFVLV-UHFFFAOYSA-N 353.353 4.191 5 1 FIBF Cc1c/c(=N\C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2[nH]1 71341008 OCCLCOKSRJASTQ-UHFFFAOYSA-N 356.769 4.171 5 1 FIBF O=C(CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F 141514973 DCXZBJAXRVMRDI-UHFFFAOYSA-N 371.315 4.269 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc([N+](=O)[O-])cc21 587388801 GOVVVPATPUTBTB-QFIPXVFZSA-N 372.380 4.375 5 1 FIBF COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1OC(C)C 587280065 ZKZZDBXAGWUEOG-UHFFFAOYSA-N 355.346 4.368 5 1 FIBF COc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1 587148442 HPLBKEOEMMVPIS-UHFFFAOYSA-N 358.376 4.398 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783134 XRDMXODZAASZBC-UHFFFAOYSA-N 361.357 4.423 5 1 FIBF Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl 2498658 SKXIILSBSGAJET-CRAIPNDOSA-N 373.796 4.326 5 1 FIBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 587066139 JTXJJBDHYGZRGM-UHFFFAOYSA-N 353.769 4.286 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])cc1C)CC2=O 587473476 VYJLKTOVNDZAFJ-FQEVSTJZSA-N 355.390 4.442 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2[N+](=O)[O-])N1 587748194 SPQPUWJZEZTPNT-ABKXIKBNSA-N 365.202 4.120 5 1 FIBF COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587644429 CITLUVYSPJNYSE-UHFFFAOYSA-N 359.769 4.299 5 1 FIBF Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1 1857536268 FKSGUSGEWAFUAT-UHFFFAOYSA-N 352.454 4.447 5 1 FIBF Cc1ccc([C@@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 5892482 DIQGJQZUFCSLAC-FQEVSTJZSA-N 351.406 4.214 5 1 FIBF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)Sc1ccccc1[N+](=O)[O-] 10450441 WUQGYUNVZLSGSJ-NSHDSACASA-N 366.826 4.231 5 1 FIBF O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc2c1ccc1ccccc12 1772646057 JQORTDPRORVRDB-UHFFFAOYSA-N 362.297 4.430 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1F 587120473 KNVRVGZBPZYAGB-UHFFFAOYSA-N 365.246 4.172 5 1 FIBF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc([N+](=O)[O-])cc31)CC2=O 587470188 JCIKWLYTFWKOHJ-HXUWFJFHSA-N 353.374 4.060 5 1 FIBF COc1cc2c([O])c3c4c(ccn3C)cc(OC)c(O)c4c2cc1OC 2356812517 XJDZUKHDFALZJP-UHFFFAOYSA-N 352.366 4.360 5 1 FIBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCc1ccccn1 27859187 HJFSVFWGNKOKKM-UHFFFAOYSA-N 352.393 4.227 5 1 FIBF O=[N+]([O-])c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587134232 KVSCAFWZOKBMPO-PLNGDYQASA-N 355.222 4.337 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1cc(CC)cc([N+](=O)[O-])c1O)CC2=O 587468208 BXRYKHJXYWIQTC-SFHVURJKSA-N 371.389 4.227 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O 587473562 XSQRPTCTMJRZAC-FQEVSTJZSA-N 355.390 4.442 5 1 FIBF Cc1nn(-c2ccc(Cl)c([N+](=O)[O-])c2)c2oc3ccccc3c(=O)c12 12405789 CSJLEYAKANCSCU-UHFFFAOYSA-N 355.737 4.002 5 1 FIBF COc1ccc(C=O)c2cc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)oc12 586904609 ZFNZQXIRMAJZHY-UHFFFAOYSA-N 371.736 4.359 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586972599 ITDQKHJUQFIJLH-UHFFFAOYSA-N 373.394 4.189 5 1 FIBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N+]4(C)O3)[C@@H]12 28364445 WRWFIBSHOMVGDI-CWEXWLPTSA-N 360.518 4.002 5 1 FIBF COc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=N)NC(C)C)cc3c12 28469617 NUUMPUZXFLHGLL-UHFFFAOYSA-N 365.458 4.228 5 1 FIBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 587263801 FFLKPOBKNSDIEY-UHFFFAOYSA-N 367.148 4.277 5 1 FIBF Cc1ccc(C)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 587264169 COHTYEXTRQFDBT-NSHDSACASA-N 355.354 4.169 5 1 FIBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc([N+](=O)[O-])ccc1N(C)C 963228162 KVUQKYRMQMLXEH-BTYIYWSLSA-N 353.466 4.407 5 1 FIBF Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCN1CCOCC1 28761773 KAWFGIGHUHBAED-UHFFFAOYSA-N 359.473 4.292 5 1 FIBF CC(C)=CCc1c(O)ccc2c1oc1oc3cc(O)cc(O)c3c(=O)c12 59778187 LYRCFNWWKHICBC-UHFFFAOYSA-N 352.342 4.318 5 1 FIBF biogenic COc1ccc(C[C@@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC 587927738 XOBFIYIBZCSPRY-GFCCVEGCSA-N 355.394 4.143 5 1 FIBF COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1CC=C(C)C 28763672 KVJGUAPUDHKYNI-UHFFFAOYSA-N 370.401 4.186 5 1 FIBF biogenic CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587155019 IISDOTBXJLWLJS-CQSZACIVSA-N 360.301 4.049 5 1 FIBF Cc1c(F)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F 587132963 MTCCZRJKKCEOII-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587273753 LJQZOINQKSPCFZ-SSDOTTSWSA-N 373.722 4.144 5 1 FIBF O=[N+]([O-])c1c(Cc2ccccc2)c[nH]c1NCCSCc1ccccn1 100922527 JRFXCOPGCQLSLL-UHFFFAOYSA-N 368.462 4.254 5 1 FIBF CCOC(=O)Oc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279291 FSMYACLDUKLGTH-UHFFFAOYSA-N 355.302 4.107 5 1 FIBF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 100834187 ZLENGVWEOQMCOO-PLACYPQZSA-N 352.434 4.326 5 1 FIBF CCCN(CCC)CCOc1ccc2[nH]c3cc(F)cc(F)c3c(=O)c2c1 1857575461 AJYIYTGUUARWHV-UHFFFAOYSA-N 374.431 4.460 5 1 FIBF CCOc1ccccc1CNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160420 ZXBLVOOYBPEHRR-UHFFFAOYSA-N 350.378 4.063 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)O2 587380309 DFDAIXJBKCIGGN-OAHLLOKOSA-N 366.295 4.211 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1 587576004 MEDTYBNUKVMDRB-XLIONFOSSA-N 363.325 4.003 5 1 FIBF O=[N+]([O-])c1ccc([C@H](Nc2cccc3ccccc23)P(=O)(O)O)cc1 1857656748 DSAYGXUEIXBXOT-QGZVFWFLSA-N 358.290 4.036 5 1 FIBF CN1CCC[C@@H]1CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O 27860356 FQVXJULJMNBUNX-QGZVFWFLSA-N 358.441 4.073 5 1 FIBF Cc1cc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Br 586977199 ONOLCDXLIQLWLI-UHFFFAOYSA-N 364.174 4.272 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 587389037 IQDNNXVYZPPBEH-LJQANCHMSA-N 364.357 4.452 5 1 FIBF Cc1ccc2c(c1)[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O 13534967 FNIADNIBCBJVBO-UHFFFAOYSA-N 353.381 4.158 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cc(F)cc(F)c1 29340485 JIXLMIFORIHRSJ-LJQANCHMSA-N 373.359 4.184 5 1 FIBF COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1CCC[C@](C)(O4)O1 40972696 ZUEKQPJBVORAFH-YUNKPMOVSA-N 354.358 4.011 5 1 FIBF in-vitro Oc1ccc(C2(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)cc1 586898351 HSBPVULTWLWXPH-UHFFFAOYSA-N 352.397 4.445 5 1 FIBF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 100834189 ZLENGVWEOQMCOO-SFHLNBCPSA-N 352.434 4.326 5 1 FIBF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 137798151 VNKSUONYUGXCCC-OPYAIIAOSA-N 352.434 4.326 5 1 FIBF COc1ccc2c(c1OC)[C@H](c1cc([N+](=O)[O-])cc(C)c1F)N(C)[C@@H](C)C2 962639522 WIDVJDPREJBTDQ-BUXKBTBVSA-N 374.412 4.025 5 1 FIBF COc1cccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3cccnc3n2)c1 1772615817 ZVTYUYAROCTTLR-UHFFFAOYSA-N 373.372 4.352 5 1 FIBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587507890 CONWOBGGJBCCTH-SFHVURJKSA-N 368.345 4.088 5 1 FIBF COc1cc([N+](=O)[O-])ccc1C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512362 NCIMHJHNWJMHBF-MRXNPFEDSA-N 367.401 4.059 5 1 FIBF COc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12 27519194 SABOJOLILJGHDI-UHFFFAOYSA-N 366.486 4.330 5 1 FIBF O=[N+]([O-])c1ccc(Cl)nc1Nc1ncc(C(F)(F)F)cc1Cl 1857775368 WDFYMZRGTWFEER-UHFFFAOYSA-N 353.087 4.454 5 1 FIBF O=C(O)C[C@H]1CC[C@H](Oc2ccc3oc4ccccc4c(=O)c3c2)CC1 2382253862 WPCZTCDNQHHXBW-HDJSIYSDSA-N 352.386 4.359 5 1 FIBF O=C1c2ccoc2CC[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 586907075 JVHLMUHOAZLQJD-LBPRGKRZSA-N 368.396 4.240 5 1 FIBF O=C(O)c1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587047366 HQZVBKMTWKYEJM-RQOWECAXSA-N 361.716 4.132 5 1 FIBF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1 2356821073 YEIYWRLDRSUWBA-IEBWSBKVSA-N 350.459 4.050 5 1 FIBF COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC1CCCC1 3800529 IAXYKIKFJWCHNY-UHFFFAOYSA-N 356.378 4.177 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587473360 SLFOZBHAVWXIPY-HXUWFJFHSA-N 371.389 4.142 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F 587149478 SXFWLLFCCYLEBH-UHFFFAOYSA-N 371.246 4.088 5 1 FIBF CSc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 2468590 FTJJMSFGGQXXBZ-CRAIPNDOSA-N 371.418 4.086 5 1 FIBF CCN(CC)CCOCCn1c2ccccc2c2nc3ccccc3nc21 1772600298 XFNZZGWPWMLEGV-UHFFFAOYSA-N 362.477 4.096 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 587159764 XLDDIGBDJGUCJB-UHFFFAOYSA-N 355.247 4.208 5 1 FIBF O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2cc(Br)ccc2N1 13532066 IAJGQMXAKJOLBA-UHFFFAOYSA-N 372.178 4.000 5 1 FIBF Cn1c2ccccc2c2c(N3CCOCC3)c3cc(Cl)ccc3nc21 84690501 BHDUKFVIMMPNAH-UHFFFAOYSA-N 351.837 4.370 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])O2 587382732 RLWJBWQCPWYTFB-OAHLLOKOSA-N 366.295 4.211 5 1 FIBF O=C(Nc1ccccc1[N+](=O)[O-])Nc1ncccc1OCc1ccccc1 13680193 DMZVUYPOSYTUJU-UHFFFAOYSA-N 364.361 4.213 5 1 FIBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587201892 YJDSGAPDYFNHTB-UHFFFAOYSA-N 362.430 4.052 5 1 FIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc4ncccc4c3[nH]2)c1 587270382 WUQGQUJTQBYNIC-UHFFFAOYSA-N 359.389 4.287 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C/Cl 587644385 AHUSUEQWEUINMG-SXGWCWSVSA-N 368.780 4.495 5 1 FIBF CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc2ccccc2c1 96932558 OHIJZJHGDNTZSN-OAQYLSRUSA-N 359.385 4.446 5 1 FIBF O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1F 587067977 DTXMGAHBIDBCRO-UHFFFAOYSA-N 357.732 4.321 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587135841 GHBFUVRNKFKXOS-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF CCOc1cc2ncnc(NCCc3ccc(Cl)cc3)c2cc1[N+](=O)[O-] 27630026 FMCGYKGTQLFPMN-UHFFFAOYSA-N 372.812 4.245 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(O)cc3Cl)[nH]c12 587053387 DRUKCILDVMLLQJ-UHFFFAOYSA-N 368.574 4.260 5 1 FIBF Cc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1 587146373 JXCVHFYLWUIHRE-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1F 587151027 ORHJHNAIBCMPLM-UHFFFAOYSA-N 373.237 4.347 5 1 FIBF COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261117 UUVXGTNAOUJPDR-UHFFFAOYSA-N 367.283 4.174 5 1 FIBF O=C(c1cc(F)cc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 587279831 CLQUPYGLJCBIFP-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF COc1cc2c3c(c1)O[C@H](c1ccc4ccccc4c1[N+](=O)[O-])[C@@H](C2)C3=O 587431767 RHRDHKJWEHXXKA-HRAATJIYSA-N 361.353 4.245 5 1 FIBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434317 SRBOUKWRFWEXMG-OXQOHEQNSA-N 353.374 4.046 5 1 FIBF CCC[n+]1cc2c(O)c(OC)ccc2c2ccc3cc4c(cc3c21)OCO4 101252335 SUSGWCYYCYHXFF-UHFFFAOYSA-O 362.405 4.287 5 1 FIBF COCCn1c(=O)c([N+](=O)[O-])c(Sc2ccc(C)cc2)c2ccccc21 95771598 BNAZZVGEIWHDEC-UHFFFAOYSA-N 370.430 4.016 5 1 FIBF c1ccc2c(c1)OC[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 586919053 XCAXQBLMEVXTNO-FQEVSTJZSA-N 354.369 4.172 5 1 FIBF COc1cc(C)c(N)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587249021 HKENDIXOLOMPSI-UHFFFAOYSA-N 355.401 4.226 5 1 FIBF Cc1nn(Cc2ccccc2-c2nc3ccc(F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587268011 VRCPZFZGEUDLIB-UHFFFAOYSA-N 365.368 4.139 5 1 FIBF Cc1cnc(-c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174088 WDQAYURJIKOPGD-UHFFFAOYSA-N 365.393 4.370 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116448 XQPYDKSPXCJZFX-UHFFFAOYSA-N 359.267 4.100 5 1 FIBF Fc1ccc2c(c1)C[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 587174467 PRAABICHKBTDBK-MRXNPFEDSA-N 356.360 4.475 5 1 FIBF O=C(O)c1ccccc1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 1911578360 SLDNZAHZKHUITI-UHFFFAOYSA-N 362.341 4.268 5 1 FIBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CS3)cc(O)c12 45372007 GYLJDSBPCVENET-ZDUSSCGKSA-N 350.395 4.299 5 1 FIBF COc1c2c(cc3c1c(=O)c1cc4ccccc4nc1n3C)OC(C)(C)C=C2 299819951 CXXVXVNEMKAELO-UHFFFAOYSA-N 372.424 4.433 5 1 FIBF Cc1cc(OC(C)(C)C)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937477 SHIGECBEYDGTMO-UHFFFAOYSA-N 369.215 4.339 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897206 UQEZIKSPPOOSAM-UHFFFAOYSA-N 374.194 4.019 5 1 FIBF O=[N+]([O-])c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033514 WKMDDXQOEAXBIF-UHFFFAOYSA-N 350.403 4.479 5 1 FIBF COc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c1 587645433 URMZSUAOEWMYKI-UHFFFAOYSA-N 364.279 4.497 5 1 FIBF O=S(=O)(Oc1cc(O)nc2c1ccc1ccccc12)c1ccc(F)cc1 1772634289 JQWCNQSBOTXXEO-UHFFFAOYSA-N 369.373 4.000 5 1 FIBF CC/N=c1/cc2oc3cc(NCCCN)c4ccccc4c3nc-2cc1C 29057476 HIWJWBUDAMPDQA-ULJHMMPZSA-N 360.461 4.076 5 1 FIBF CN(C)CCNC(=O)c1cccc2cc3cc(-c4ccccc4)ccc3nc12 29563083 LXUGBDNAALYLCU-UHFFFAOYSA-N 369.468 4.346 5 1 FIBF Cc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82221479 SFYOHQKOXLZCBQ-UHFFFAOYSA-N 365.393 4.006 5 1 FIBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2 586887566 UYGJGJQAXIDYGQ-MELADBBJSA-N 354.413 4.298 5 1 FIBF Fc1ccc2c(c1)C[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 587174505 QAUWXXGCDRABDV-FQEVSTJZSA-N 356.360 4.475 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(NC)c([N+](=O)[O-])c1)CC2=O 587473495 WCWSBTHWQUQHME-SFHVURJKSA-N 356.378 4.001 5 1 FIBF O=C(c1cc(Br)cs1)c1coc2cc([N+](=O)[O-])ccc12 587280108 JINXMTUPQLYQHI-UHFFFAOYSA-N 352.165 4.396 5 1 FIBF CC(C)(C)[C@H]1CCN2CCC[C@@](c3ccc([N+](=O)[O-])cc3)(C1)C21OCCO1 95600792 FJZNBMNHPKNAKF-PXNSSMCTSA-N 374.481 4.085 5 3 FIBF CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1 1622707 MHMFWOSPZFKWRO-UHFFFAOYSA-O 363.437 4.298 5 1 FIBF CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587645953 GEMKNDBUEXKTIF-UHFFFAOYSA-N 364.279 4.337 5 1 FIBF COc1ccc(OC(C)(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] 587936327 IBNXXHHGVOLLKC-UHFFFAOYSA-N 369.215 4.334 5 1 FIBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc5nc6ccccc6nc5cc4[nH]1)(C3)C2 587968942 JDRJYXJWUSLNGP-OKVBKTCRSA-N 368.440 4.306 5 1 FIBF O=c1c(N2CCCC2)cc2nc(-c3ccccc3)nn3c4ccccc4c1c23 95577159 FAOYZVJWOWZZFG-UHFFFAOYSA-N 366.424 4.101 5 1 FIBF CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F 64549715 SDYVZQPJOBQDEW-CQSZACIVSA-N 353.319 4.214 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] 587114139 WJOALEDLQFQEKX-UHFFFAOYSA-N 352.228 4.065 5 1 FIBF CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 587507950 DOWYWXCTDAANRD-LJQANCHMSA-N 367.401 4.448 5 1 FIBF C[N+]1(CCOc2cnc3c4c(cccc24)C(=O)c2ccccc2-3)CCCCC1 71331654 ZTTKISAGSBXNKQ-UHFFFAOYSA-N 373.476 4.456 5 1 FIBF O=C(c1ccc([N+](=O)[O-])cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587874261 RRCSHFACTPOZHW-UHFFFAOYSA-N 359.700 4.045 5 1 FIBF Cc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl 2498656 SKXIILSBSGAJET-YJBOKZPZSA-N 373.796 4.326 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1 587747491 ONQYLYZGHNJVOS-JDNHERCYSA-N 365.202 4.120 5 1 FIBF CC(C)n1nc(C(F)(F)F)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279802 BANYVIYPSQENFR-UHFFFAOYSA-N 367.283 4.368 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)O2 587377777 ZCXWWWUMYKWTKX-OAHLLOKOSA-N 367.188 4.499 5 1 FIBF COc1cccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587932027 ULWVGCLLBZLSGR-UHFFFAOYSA-N 354.413 4.453 5 1 FIBF O=C1CCC(c2ccccc2)(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 587969920 CAGQMMWZCQNMGG-UHFFFAOYSA-N 353.353 4.039 5 1 FIBF COc1cc2oc3cc(OC)c(Cl)c(O)c3c(=O)c2c(C)c1Cl 13451832 BZFDPXMFADJRPQ-UHFFFAOYSA-N 355.173 4.284 5 1 FIBF biogenic Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(C)c4c12)C(=O)NC3=O 13535066 QTGXVJOZQRRBAU-UHFFFAOYSA-N 367.408 4.168 5 1 FIBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587047329 GNRWJMBNDJVRJK-RQOWECAXSA-N 362.704 4.342 5 1 FIBF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4c4ncccc14)[C@@H](C2)C3=O 587435568 HDFKJRCYGGGSCF-QMHKHESXSA-N 368.392 4.280 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136402 PJSMLLHYXOSMPL-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2CCCC[C@@H]21 29049482 WCPNKJFFGJBDGL-KXBFYZLASA-N 365.433 4.452 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2)N1 587748321 ULAIOCINCFQTFX-XXFAHNHDSA-N 365.202 4.120 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587269323 AWRUQIDWGHMQEN-UHFFFAOYSA-N 369.384 4.353 5 1 FIBF COc1cc2c3c(c1)O[C@@H](c1ccc4ccccc4c1[N+](=O)[O-])[C@@H](C2)C3=O 587431771 RHRDHKJWEHXXKA-KKSFZXQISA-N 361.353 4.245 5 1 FIBF CN1C(=O)c2c(c3c4ccccc4n(C)c3c3c2c2ccccc2n3C)C1=O 1858281 SOIJVCSZRPPGDQ-UHFFFAOYSA-N 367.408 4.202 5 1 FIBF COc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Cl 587261566 CTUVCWDTGPAAFZ-UHFFFAOYSA-N 361.785 4.063 5 1 FIBF O=[N+]([O-])c1csc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961612896 FUMYQQYQXVKIBJ-AWEZNQCLSA-N 365.252 4.187 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1 3799968 WVPPJBXJQHJKDS-UHFFFAOYSA-N 357.373 4.212 5 1 FIBF O[C@@H]1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 586904921 WRUZZXDUOKTROT-IAGOWNOFSA-N 352.397 4.228 5 1 FIBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587044703 PXRIGKFAUMFUFS-UHFFFAOYSA-N 368.176 4.462 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587268220 XOAHMGGOOUCTGR-ZDUSSCGKSA-N 363.377 4.378 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cc(F)cc(Br)c3[nH]2)c1 587270774 TYCKFWDSGIPUOQ-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF Cc1cc2oc3ccc(NCC[C@@H]4CCCN4C)cc3c(=O)c2cc1C 12476712 PTGLKKAYOKIELG-KRWDZBQOSA-N 350.462 4.459 5 3 FIBF NCCCCNCCCCNCCc1c2ccccc2cc2ccccc12 13585470 SUCQIXAGBWPSPF-UHFFFAOYSA-N 363.549 4.234 5 1 FIBF O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(F)cc3)=Cc3n[nH]c(O)c32)c1 103182855 IJNFVVCHJFYBRB-MRXNPFEDSA-N 351.337 4.239 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)cnc4[nH]3)c2)c1 587270306 LTNCHVHHXSQKHV-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF CC1(C)CCC(c2ccc3oc4nc(N)c(C(=O)O)cc4c(=O)c3c2)CC1 1857654384 QUCBQDPSDMKOBP-UHFFFAOYSA-N 366.417 4.305 5 1 FIBF O=[N+]([O-])c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077319 RIZGUOGWPDCAQS-MRXNPFEDSA-N 356.813 4.462 5 1 FIBF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644691 KIKNFFIHKIGKSW-UHFFFAOYSA-N 372.764 4.142 5 1 FIBF O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(Br)cc2)N1 103162013 QHCFVCVTDFNHBX-CQSZACIVSA-N 374.194 4.001 5 1 FIBF Cc1ccccc1Nc1nc(C)n(CC(=O)c2ccccc2)c1[N+](=O)[O-] 40917738 MEPNACOQVCIDSZ-UHFFFAOYSA-N 350.378 4.035 5 1 FIBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587114000 PZGKDPMGYRVSCN-VIFPVBQESA-N 350.300 4.231 5 1 FIBF Cc1cc(N(C)Cc2nc3ccc(OC(C)C)cc3[nH]2)c([N+](=O)[O-])cc1F 587137132 PGQJDGKYPUCUTJ-UHFFFAOYSA-N 372.400 4.342 5 1 FIBF Cc1nn(Cc2ccccc2-c2nc3cccc(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587268254 YZXDVHSKSRHTFV-UHFFFAOYSA-N 361.405 4.308 5 1 FIBF COc1cc([N+](=O)[O-])ccc1C[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963118942 ZZNIKIILTYPPRU-LPHOPBHVSA-N 356.397 4.047 5 1 FIBF O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccccc1 28957235 MOGIDBATQXIESU-UHFFFAOYSA-N 374.356 4.101 5 1 FIBF CC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1cccc([N+](=O)[O-])c1 66079800 QBJXOSCKKQTWCB-OAQYLSRUSA-N 359.385 4.446 5 1 FIBF Oc1cccc2c1OCC(c1nc3cc4nc5ccccc5nc4cc3[nH]1)=C2 586907280 FJVJLFARQPXRAX-UHFFFAOYSA-N 366.380 4.298 5 1 FIBF COc1ccccc1CC(=O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587929410 IZWNZFQLSWAUKV-UHFFFAOYSA-N 368.396 4.093 5 1 FIBF CCOC(=O)c1c2c3ccc(SC(C)C)c4cccc(c-2nc1=O)c43 71280975 VSGCPWMJKYOMGV-UHFFFAOYSA-N 351.427 4.406 5 1 FIBF C[C@]1(c2cccc([N+](=O)[O-])c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506346 RPSZLSXMQQVISM-HXUWFJFHSA-N 355.365 4.493 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N(C)Cc1cccc(Cl)c1 587644457 DSHOIOPAMAOSLC-UHFFFAOYSA-N 357.797 4.310 5 1 FIBF Cc1nn(-c2cccc([N+](=O)[O-])c2)c2nc(C(F)(F)F)sc(=S)c12 34587251 IHGRNZIZBBLPNL-UHFFFAOYSA-N 372.353 4.447 5 1 FIBF Cc1c(Oc2coc(COc3ccccc3)cc2=O)cccc1[N+](=O)[O-] 473112054 COBWSRMDBYAEMC-UHFFFAOYSA-N 353.330 4.228 5 1 FIBF O=[N+]([O-])c1cncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137709 HJWPPCDOIBHKEZ-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF CCc1oc2ccccc2c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586904061 QFNQHTLLYVBBHH-UHFFFAOYSA-N 352.306 4.355 5 1 FIBF COc1cc(C)nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)cc12 45323874 BKLYENUMAZBBEY-UHFFFAOYSA-N 366.377 4.412 5 1 FIBF C[N@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 254136511 SKNRIMBFFBIGKY-IJYNEAPUSA-N 350.482 4.226 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)cc(Cl)c2[nH]1 587159586 SSAPFBSMKCELDF-UHFFFAOYSA-N 356.140 4.496 5 1 FIBF CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587388767 GMEKCDRXCSHLOG-LJQANCHMSA-N 370.405 4.371 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1[N+](=O)[O-] 587575730 KXWZQDRBZHKUMX-FXAWDEMLSA-N 363.325 4.003 5 1 FIBF O=C(Nc1c2ccccc2c(=O)n2c1[nH]c1ccccc12)c1ccccc1 1857767810 YMMOBHJGMNPZOL-UHFFFAOYSA-N 353.381 4.186 5 1 FIBF COc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cn1 587271566 GDXJVDUUDZRZRH-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF Cc1ccc(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1 586964523 GCHPHHMEUMYQHC-UHFFFAOYSA-N 358.379 4.288 5 1 FIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)o1 587265194 POKYIHZWXNTWQU-UHFFFAOYSA-N 350.290 4.306 5 1 FIBF CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511879 KCFIKNXDMCOEGS-HXUWFJFHSA-N 366.417 4.246 5 1 FIBF Cc1ccccc1[C@H](OCCn1c([N+](=O)[O-])cnc1C)c1cccs1 28471654 USLCGAHMNVTYJV-SFHVURJKSA-N 357.435 4.276 5 1 FIBF O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(F)cc3)=Cc3n[nH]c(O)c32)c1 103182854 IJNFVVCHJFYBRB-INIZCTEOSA-N 351.337 4.239 5 1 FIBF O=C(c1ccc(C(=O)C(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280296 RNYGURVJYGYTSE-UHFFFAOYSA-N 363.247 4.317 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)CC2=O 587465611 FRGNSKGECAYVQB-IBGZPJMESA-N 359.353 4.273 5 1 FIBF CCN1CCC[C@H](N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1 27862544 ZVOCFJKXQQVICP-KRWDZBQOSA-N 358.441 4.073 5 1 FIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101151985 MMJNDRSEERCWAQ-ACDBMABISA-N 355.458 4.193 5 1 FIBF O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnc2cc(Cl)ccc12 84704512 YISUEBWYGOLAKI-QPJJXVBHSA-N 353.765 4.448 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Cl 587139056 DBHFDVCOJNLHLG-UHFFFAOYSA-N 371.111 4.492 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3nc4ccccc4nc13)O2 587396070 WOKNKEFLJCVDTJ-HXUWFJFHSA-N 355.397 4.380 5 1 FIBF O=C1C[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 587511568 HTPRTTVCFMSSMM-GOSISDBHSA-N 363.373 4.056 5 1 FIBF COc1ccc(-c2cc(=O)c3cc(OC)c4cccc(OC)c4c3[nH]2)cc1 1857557282 KCQYCVMSWZNNRJ-UHFFFAOYSA-N 361.397 4.374 5 1 FIBF CN(C)CCCC(=O)Nc1ccc2cc3ccccc3c([N+](=O)[O-])c2c1 28713840 LLRAYIZQGMSOIK-UHFFFAOYSA-N 351.406 4.182 5 1 FIBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(CN3CCCCC3)ccc12 103216547 DNIQPENKUNNCIY-UHFFFAOYSA-N 364.401 4.354 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587160253 ODCCNTIBCVJJKF-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587160669 ZENBISMYZBTIII-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF Cc1c2cn(C)ccc2c(C(=O)NCCCCCN)c2nc3ccccc3c12 1772619565 REXINDWBCBYYRH-UHFFFAOYSA-N 374.488 4.047 5 1 FIBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083844 OIWKUHIOFHZKFN-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF Cc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587267222 HBQBKVDAGYYNDL-UHFFFAOYSA-N 361.405 4.308 5 1 FIBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)c(Cl)c1 587644989 TVWBQJVNXQPQAH-UHFFFAOYSA-N 360.753 4.032 5 1 FIBF O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645307 PCNBBRDBERKBEN-UHFFFAOYSA-N 350.252 4.032 5 1 FIBF CCCN1[C@H](c2cc([N+](=O)[O-])ccc2N(C)C)c2ccccc2C[C@H]1C 963228166 KVUQKYRMQMLXEH-VFNWGFHPSA-N 353.466 4.407 5 1 FIBF CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587388766 GMEKCDRXCSHLOG-IBGZPJMESA-N 370.405 4.371 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1 587579037 XTJMEQDOSDNNIO-PXNSSMCTSA-N 363.325 4.003 5 1 FIBF Cc1cc(C)c(Oc2cc(Nc3ccc([N+](=O)[O-])cc3)n[nH]c2=O)c(C)c1 95605540 FWEBNZWXJQDESZ-UHFFFAOYSA-N 366.377 4.139 5 1 FIBF COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260693 AISLLXLTBFEEEB-UHFFFAOYSA-N 369.711 4.087 5 1 FIBF COc1cc2c(ccc3c(CCNCC(C)C)cc(O)c(OC)c32)cc1O 38495408 WYEBUHQQFLDPCS-UHFFFAOYSA-N 369.461 4.210 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(=N)N)cc2[nH]1 586969058 MXBSJBPXYMZTEO-UHFFFAOYSA-N 369.450 4.170 5 1 FIBF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587164674 YVYQKNLWGKGXME-OAQYLSRUSA-N 371.419 4.449 5 1 FIBF Fc1cccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)n[nH]c12 587177556 MTZQLVOPVWPDSY-UHFFFAOYSA-N 354.348 4.342 5 1 FIBF O=C1C[C@]2(CCOc3cc([N+](=O)[O-])ccc32)Oc2c1ccc1c2CCCC1 587511480 GYBWUJMUTGXUTB-NRFANRHFSA-N 365.385 4.117 5 1 FIBF CCN(CC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1 1857555081 SBYLVYVHCBSERJ-UHFFFAOYSA-N 360.404 4.070 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc([N+](=O)[O-])c2)N1 587848680 PJDNGECFOUZMNL-UOWDBTKRSA-N 371.231 4.182 5 1 FIBF COc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 587927848 YJHGLAZPUWGREO-UHFFFAOYSA-N 370.412 4.267 5 1 FIBF COc1cc2c(c3oc(=O)c4c5ccc(O)cc5oc4c13)C(C)(C)[C@@H](C)O2 653812742 VSWNGFUSZCRGPP-SECBINFHSA-N 366.369 4.465 5 1 FIBF S=C(N=c1c2ccccc2[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 2382244782 UXZDJRJJDCBSLW-UHFFFAOYSA-N 373.437 4.348 5 1 FIBF COc1cccc2c(=O)c3c(OC)cc(CC=C(C)C)c(OC)c3oc12 14819769 NXKZIZJXHLDCDK-UHFFFAOYSA-N 354.402 4.481 5 1 FIBF biogenic CN(C)CCCNc1nc2c3ccncc3ccc2c2cc3c(cc12)OCO3 71280942 BFAKZCPPNZRBDZ-UHFFFAOYSA-N 374.444 4.029 5 1 FIBF O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCOc3ccc(Cl)cc32)cc1 84712418 SQWYPEJSOVZQSZ-CQSZACIVSA-N 363.826 4.058 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3[C@H]3C[C@H]32)c2ccccc12 169718565 XECKIPBEEMWJSX-NMWPEEMBSA-N 360.369 4.337 5 1 FIBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N@+]4(C)O3)[C@@H]12 261183690 WRWFIBSHOMVGDI-IBYAEYGWSA-N 360.518 4.002 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccsc3)[nH]c12 587025382 JNTJHUAJBBESKU-DAFODLJHSA-N 350.197 4.466 5 1 FIBF Cc1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587116453 XTDVNLDDYRNGJJ-UHFFFAOYSA-N 373.294 4.409 5 1 FIBF CC(=O)Nc1cccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587242884 WYMOIXMYNXYJPL-UHFFFAOYSA-N 367.412 4.209 5 1 FIBF CN(C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(F)(F)F 45189298 OXKRXEQJZWIODF-UHFFFAOYSA-N 367.371 4.182 5 1 FIBF Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(C)s2)cc1 587013304 SWOOVIWCHHVION-UHFFFAOYSA-N 351.391 4.273 5 1 FIBF O=C1CCc2cc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc2N1 587051169 YIEFWGLFFALRMJ-GORDUTHDSA-N 368.780 4.180 5 1 FIBF Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)c2coc3ccccc23)cc1 587280695 SHIZGHJMHWEBRR-UHFFFAOYSA-N 361.357 4.125 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])s2)N1 587847177 JOHMNHFKAUHKSC-WJWGPLDTSA-N 371.231 4.182 5 1 FIBF Cn1c2nc3ccccc3c-2cc2cc(I)ccc21 13475320 PAKJOXBWULIZGV-UHFFFAOYSA-N 358.182 4.436 5 1 FIBF COc1ccc2c3ccc4cc5c(cc4c3n(C)c(C3CC3)c-2c1=O)OCO5 26396349 SMFQHLVTWUIQHP-UHFFFAOYSA-N 373.408 4.411 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 587383667 ZLAIUHGBCFTUSA-OAHLLOKOSA-N 366.295 4.211 5 1 FIBF COc1ccc2c(c1OC)[C@@H](c1cc([N+](=O)[O-])cc(C)c1F)N(C)[C@H](C)C2 962640440 WIDVJDPREJBTDQ-CWTRNNRKSA-N 374.412 4.025 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1cccc(F)c1)c1cccs1 28468857 NAQBLTTUJNZZNS-QGZVFWFLSA-N 361.398 4.107 5 1 FIBF COc1nccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586973080 NJRFVHLZFRVGJN-UHFFFAOYSA-N 358.423 4.290 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2[N+](=O)[O-])N1 587748830 WSQIIVORLBNESZ-XXFAHNHDSA-N 365.202 4.120 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1F 587139419 JVOQKTQLEROSOR-UHFFFAOYSA-N 363.629 4.487 5 1 FIBF COc1ccc2c(c1O)c(C1CC1)[n+](C)c1c3cc4c(cc3ccc21)OCO4 100828508 SMFQHLVTWUIQHP-UHFFFAOYSA-O 374.416 4.291 5 1 FIBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587113502 LONDUQHORFHJML-VIFPVBQESA-N 350.300 4.231 5 1 FIBF Cc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1 587145944 WKAGSCBEWOXKBC-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF COc1cc(C[C@H](O)c2ccc(-c3ccco3)cc2)c([N+](=O)[O-])cc1OC 1857639117 SDSGPPPIKQSGLK-KRWDZBQOSA-N 369.373 4.148 5 1 FIBF O=C(Nc1ccccc1F)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12 71317662 SJAKCXGKECYNKM-UHFFFAOYSA-N 366.308 4.123 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2[N+](=O)[O-])N1 587748825 WSQIIVORLBNESZ-ABKXIKBNSA-N 365.202 4.120 5 1 FIBF COc1ccc(/C=C/c2cc(OC)c(OC)cc2CC[N+](C)(C)C)cc1 820000 LPWOWWGQXXVYJQ-JXMROGBWSA-N 356.486 4.132 5 1 FIBF aggregator COCCOc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] 587264117 ATYGQMWCAKLIPX-UHFFFAOYSA-N 367.405 4.042 5 1 FIBF CCC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)NCCc2c(C(=O)O)cccc21 963129925 HAJOJMBPJSMMJU-IBGZPJMESA-N 374.824 4.136 5 1 FIBF O=c1c2ccccc2oc2ccc(OC[C@H]3CC[C@H](C(=O)O)CC3)cc12 2382251421 PYBWFJSCDZFBGN-HDJSIYSDSA-N 352.386 4.216 5 1 FIBF CSc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 2468591 FTJJMSFGGQXXBZ-QAPCUYQASA-N 371.418 4.086 5 1 FIBF O=[N+]([O-])c1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl 587047314 GGCTVFKKHNCJAU-DUXPYHPUSA-N 353.140 4.482 5 1 FIBF CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 28979840 SHSKWVYLFNOORS-UHFFFAOYSA-O 361.513 4.443 5 1 FIBF CN(C)CCCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O 95587592 ARQOPDVTTATYLI-UHFFFAOYSA-N 372.424 4.287 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cc(F)cc(F)c1 29340482 JIXLMIFORIHRSJ-IBGZPJMESA-N 373.359 4.184 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(C(F)(F)F)c2[nH]1 587159157 KSKMESASZNFHNP-UHFFFAOYSA-N 355.247 4.208 5 1 FIBF CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511878 KCFIKNXDMCOEGS-FQEVSTJZSA-N 366.417 4.246 5 1 FIBF CCOC(=O)c1c(-c2ccco2)n2c3ccccc3c(=O)n2c2ccccc12 1911578757 JHHISKMYXXMNQX-UHFFFAOYSA-N 372.380 4.142 5 1 FIBF O=C(O)/C=C\c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586879924 OIEFVTSOGWKEMN-KTKRTIGZSA-N 366.380 4.424 5 1 FIBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587087673 NGRXMNJUQLBNIL-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF O=C(c1c(O)ccc2oc3c4ccccc4oc(=O)c3c12)N1CCCCC1 1857619245 WCOMUHPKHZTYCZ-UHFFFAOYSA-N 363.369 4.024 5 1 FIBF Cc1c(Cl)c(O)c(Cl)c2oc3cc(O)c(Cl)c(O)c3c(=O)c12 14769921 KIJCJDCUXMSIEZ-UHFFFAOYSA-N 361.564 4.332 5 1 FIBF biogenic O=[N+]([O-])c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039840 GELXJQFQIUPMTF-GDBMZVCRSA-N 374.853 4.071 5 1 FIBF CC(C)c1nn(C)c2c1[C@H](c1c3ccccc3nc3ccccc13)NCC2 962919643 QCNRCJZOXNSBMR-QHCPKHFHSA-N 356.473 4.480 5 1 FIBF CSc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468584 OTFMYDQAHGKIGI-FZKQIMNGSA-N 371.418 4.086 5 1 FIBF CCN(CC)CCn1[nH]c2c3cc(C)ccc3nc3c([N+](=O)[O-])ccc1c32 27106882 XGQCCGXTUVGKQP-UHFFFAOYSA-N 365.437 4.229 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1 587579036 XTJMEQDOSDNNIO-FXAWDEMLSA-N 363.325 4.003 5 1 FIBF O=[N+]([O-])c1ccc(CN2CCC(c3ccc(Br)cc3)CC2)o1 1857757277 AWIQERSVEVKUST-UHFFFAOYSA-N 365.227 4.330 5 1 FIBF CCCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 14257085 FVFVAEXTYWIHBZ-UHFFFAOYSA-N 368.842 4.392 5 1 FIBF O=[N+]([O-])c1cccc(Oc2ccc(OCCO[C@@H]3CCCCO3)cc2)c1 96935369 QPBWLQRZKJHZKW-LJQANCHMSA-N 359.378 4.309 5 1 FIBF O[C@@H]1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 586904318 TWMSEODVBMNFTM-LHSJRXKWSA-N 352.397 4.228 5 1 FIBF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)[nH]c2cccc([N+](=O)[O-])c12 587646973 BJEXECBQTUJSJA-UHFFFAOYSA-N 363.373 4.399 5 1 FIBF CCn1nc(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)c2ccccc21 84742116 BINBEOZZEIKKMF-UHFFFAOYSA-N 360.377 4.165 5 1 FIBF CCCCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570304 DXPHTBRUNUJMNX-UHFFFAOYSA-N 373.481 4.000 5 1 FIBF O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1cccc([N+](=O)[O-])c1 96285800 GFPXQEOITTUGKG-UHFFFAOYSA-N 350.330 4.345 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)O2 587381425 IQPOGIXEMJZRHT-HNNXBMFYSA-N 366.295 4.211 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc([N+](=O)[O-])c1 587612057 INCRMSDCXCYFMX-MAUKXSAKSA-N 369.354 4.065 5 1 FIBF Cc1c(-c2nc3cc(Br)cc(F)c3[nH]2)cccc1[N+](=O)[O-] 587261098 TULXGWGBPSVVIK-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])ccc1F)CC2=O 587466321 KXZSELNWLJSGQU-IBGZPJMESA-N 359.353 4.273 5 1 FIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587746037 LCWCXOVJKADITK-OHUAYANFSA-N 373.266 4.173 5 1 FIBF O=C(Cc1c(F)c(F)c(F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280157 LQPCTENZTCKGST-UHFFFAOYSA-N 371.217 4.462 5 1 FIBF Cc1ccc(C(=O)CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 43023497 UVMJAOZGNFUGDX-UHFFFAOYSA-N 351.362 4.077 5 1 FIBF COCCNc1ccc(-c2nc3ccc(Cl)c(C)c3[nH]2)cc1[N+](=O)[O-] 587262086 NQKWSGFAFJRPAI-UHFFFAOYSA-N 360.801 4.158 5 1 FIBF Cc1oc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268561 DRYUAWDFPGDKDV-UHFFFAOYSA-N 356.563 4.455 5 1 FIBF O=Cc1ccc(OCCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587566574 UFAKWMXWTSRCJA-UHFFFAOYSA-N 368.396 4.093 5 1 FIBF COc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1 587645003 GYHLUESAUIWQRV-UHFFFAOYSA-N 364.279 4.335 5 1 FIBF Cc1cc(=O)oc2c(OCCCN(C)C)c3oc4ccccc4c3cc12 27517341 TVTHZBRRXCYBQF-UHFFFAOYSA-N 351.402 4.331 5 1 FIBF Cc1oc(-c2ccsc2)nc1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587026773 HXWQAIDVLVYXFZ-UHFFFAOYSA-N 358.354 4.226 5 1 FIBF COc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587512116 UJHRIDMBSXRFSS-NRFANRHFSA-N 367.401 4.363 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1F 587138989 BTFNQISEOIYDTD-UHFFFAOYSA-N 363.732 4.092 5 1 FIBF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356843239 CLIJCVAPWXFAEX-LZLYRXPVSA-N 371.437 4.034 5 1 FIBF Cc1cc2c(Br)ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2o1 587004433 SOLOGPLKOUPSRO-UHFFFAOYSA-N 373.166 4.350 5 1 FIBF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1[N+](=O)[O-])C(F)(F)F 963035132 ZCNGUWSFSAKXEC-OAHLLOKOSA-N 356.369 4.225 5 1 FIBF CC(=O)c1c(Nc2ccccc2)nc2c([N+](=O)[O-])cc(Cl)cc2c1O 84614673 ACOYTEDVSZLIQF-UHFFFAOYSA-N 357.753 4.448 5 1 FIBF Cc1ccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1N 587250628 NYLKBSKEVRWKAA-UHFFFAOYSA-N 353.429 4.335 5 1 FIBF COc1cc([N+](=O)[O-])ccc1C[C@@H]1c2ccc(F)cc2C[C@H]2CCCN21 963118949 ZZNIKIILTYPPRU-VQIMIIECSA-N 356.397 4.047 5 1 FIBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(Cc3ccc(C)cc3)c[n+]12 299844609 KEENENHAYJJWCH-UHFFFAOYSA-O 370.432 4.005 5 1 FIBF O=C(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cscn1 587028241 NDPBDMOQODQGLI-UHFFFAOYSA-N 358.426 4.256 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587644759 MYACARCITSQFIN-UHFFFAOYSA-N 374.740 4.198 5 1 FIBF CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1 14970312 MOUJVNGXLZSTGQ-UHFFFAOYSA-N 374.415 4.486 5 1 FIBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434321 SRBOUKWRFWEXMG-UZLBHIALSA-N 353.374 4.046 5 1 FIBF C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587507972 WQWHPDOOESPZSZ-FQEVSTJZSA-N 355.365 4.493 5 1 FIBF O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ncccc23)ccc1O 1772619291 MESQGHGZZODEQW-UHFFFAOYSA-N 359.345 4.049 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Cl 587091628 MPQFTLJIVIMALE-UHFFFAOYSA-N 372.690 4.128 5 1 FIBF Cc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 587117822 WVEKMJRHYZXMBW-UHFFFAOYSA-N 373.722 4.005 5 1 FIBF Fc1cncc(Cl)c1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587176382 QUXBUXHWGOHHPN-UHFFFAOYSA-N 363.783 4.438 5 1 FIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1 587871154 BOMWJGDNHQDUHY-UHFFFAOYSA-N 370.340 4.076 5 1 FIBF CCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3c3ccccc13)C2 2382217709 DSRXGXOWNYMGGC-UHFFFAOYSA-N 357.453 4.294 5 1 FIBF C[C@@H](OCc1ccccc1O)c1cccc2nc3c(C(=O)O)cccc3nc12 2356694196 XEIYPSVQTYMLFU-CYBMUJFWSA-N 374.396 4.465 5 1 FIBF CSCc1c2[nH]c(C(=O)O)cc(=O)c2cc2sc3ccccc3c12 169319978 WETBAJFYIVQHDP-UHFFFAOYSA-N 355.440 4.457 5 1 FIBF COC(=O)c1ccc2c(c1)nc(Nc1cccc(OC)c1)c1ccncc12 199791443 WWMBRLIUUKEUNV-UHFFFAOYSA-N 359.385 4.322 5 1 FIBF O=[N+]([O-])c1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Cl 587047315 GGCTVFKKHNCJAU-RQOWECAXSA-N 353.140 4.482 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017080 GLOHICWJLBJZAR-UHFFFAOYSA-N 357.782 4.310 5 1 FIBF COC(=O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587048093 QFOLUJOTHZKMPA-SOFGYWHQSA-N 357.753 4.082 5 1 FIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)o1 587266254 XVSSMXFVWJWKGV-UHFFFAOYSA-N 363.329 4.169 5 1 FIBF Cc1oc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268615 HAZSDTBOPWTJCX-UHFFFAOYSA-N 350.172 4.419 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1F 587021493 KMXPQLUCVVOEDF-UHFFFAOYSA-N 354.366 4.325 5 1 FIBF Cc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1[N+](=O)[O-] 587133507 RGKADRGPQHVTHS-UHFFFAOYSA-N 368.151 4.456 5 1 FIBF CNc1c(F)cccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587136373 ZCJGDBXZKWMPES-UHFFFAOYSA-N 365.162 4.081 5 1 FIBF Cc1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2cc1[N+](=O)[O-] 587230354 SZQLPCASJMUVHI-UHFFFAOYSA-N 359.389 4.454 5 1 FIBF CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 587647964 WAEAOGKHERKRMN-UHFFFAOYSA-N 368.349 4.360 5 1 FIBF CCCCCCc1ccc(O)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 28248994 FMPFVZZCODSQJB-UHFFFAOYSA-N 356.422 4.353 5 1 FIBF N[C@H](N=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048282 RTYQWMCKJGLFQH-CPCLXONGSA-N 357.757 4.019 5 1 FIBF C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510545 LGOWPUIHQRUEGG-HXUWFJFHSA-N 353.374 4.060 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cccc(F)c1 13473025 DVHCHOPACQEAAQ-LJQANCHMSA-N 355.369 4.045 5 1 FIBF O=[N+]([O-])c1ccc(Sc2ccccc2Br)c2nonc12 96933903 JCQWRNUHONEKRG-UHFFFAOYSA-N 352.169 4.045 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587111254 BSBYCIHROJUJSS-UHFFFAOYSA-N 359.267 4.100 5 1 FIBF O=C(c1nc2c([N+](=O)[O-])cccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132773 HBIXWYRJDZLMJU-UHFFFAOYSA-N 354.124 4.148 5 1 FIBF COc1ccc(/C=C\Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(OC)c1 587928392 BBNVBFYFOQPIHU-PLNGDYQASA-N 353.378 4.053 5 1 FIBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(c2ccccc2)CCOCC1 587279570 LSVQULBVIVNQEZ-UHFFFAOYSA-N 351.358 4.272 5 1 FIBF Cc1ccc2[nH]c3c4ccc5ccn(C)c5c4c4c(c3c2c1)C(=O)NC4=O 13534940 UVFCCXBRHTYMDK-UHFFFAOYSA-N 353.381 4.158 5 1 FIBF C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 34804402 FQNQWASQZFDMLL-UHFFFAOYSA-O 373.904 4.348 5 1 FIBF Cc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cnn1-c1ccc(Cl)cc1 587075958 PCLFSVXPOTUBQA-UHFFFAOYSA-N 353.769 4.286 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 587268899 CYKPSIYSEMQLHC-UHFFFAOYSA-N 361.317 4.108 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)O2 587389664 MQULWTNTEHMXML-QFIPXVFZSA-N 374.396 4.394 5 1 FIBF CCSC[C@@](C)(O)Cc1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820602 BMYZIPZJZVGBFV-AWEZNQCLSA-N 362.373 4.142 5 1 FIBF Cc1ccc(-c2csc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)cc1 64502320 LJRGTXHAUOWMBA-UHFFFAOYSA-N 374.443 4.097 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3[C@H]3C[C@@H]23)c2ccccc12 169718563 XECKIPBEEMWJSX-TUVASFSCSA-N 360.369 4.337 5 1 FIBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587242583 WOVQAZOQPAQPKE-UHFFFAOYSA-N 370.365 4.191 5 1 FIBF O=C1C[C@@H](c2cc(F)c([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 587508523 WFDNLXGFYBUJBM-SFHVURJKSA-N 359.328 4.458 5 1 FIBF COC(=O)Cc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587783395 QLVHQJVRCBXTRH-UHFFFAOYSA-N 368.396 4.042 5 1 FIBF CC(=O)Nc1cccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587242192 IOBOIPHODDEYDW-UHFFFAOYSA-N 367.412 4.209 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(F)cc1F)CC2=O 587469008 ZYTHIEQJESYQQE-KRWDZBQOSA-N 363.316 4.238 5 1 FIBF O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc([N+](=O)[O-])c1 73257617 WOLVVZYIMHOLRF-UHFFFAOYSA-N 374.360 4.177 5 1 FIBF Cn1c2c3cc(Br)ccc3nc-2c(C(=O)O)c2ccccc21 377815854 ACEUXOHYQNBYSH-UHFFFAOYSA-N 355.191 4.292 5 1 FIBF CC(C)c1[nH]c2c(C(=O)O)cccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 587638386 OXRXWDATALLOER-UHFFFAOYSA-N 367.361 4.150 5 1 FIBF CC(=O)N(C(C)=O)c1ccc(-c2cnc3ccc4ccncc4c3c2)cc1 28957589 YEGMZKBGTXJQMR-UHFFFAOYSA-N 355.397 4.349 5 1 FIBF O=[N+]([O-])c1cccc(NC(=S)N[C@H]2CCOc3ccc(Cl)cc32)c1 84729108 KTZDWMQYTLYXRJ-AWEZNQCLSA-N 363.826 4.058 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2)N1 587748319 ULAIOCINCFQTFX-JDNHERCYSA-N 365.202 4.120 5 1 FIBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cc1 587644825 CNIIVVANDJJLBD-UHFFFAOYSA-N 364.279 4.497 5 1 FIBF O=C1C[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)Oc2c1ccc1c2CCCC1 587514564 ZSYWCNMYXFOEDD-GOSISDBHSA-N 363.373 4.056 5 1 FIBF CC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccccc1[N+](=O)[O-] 66097936 FPIFFONYQNMSPP-NRFANRHFSA-N 359.385 4.446 5 1 FIBF C[N+](C)(C)C[C@H]1[C@H]2CC[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 169336777 NNPUZNSEENZRQO-DFEHZGFQSA-O 351.898 4.257 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])s2)N1 587847174 JOHMNHFKAUHKSC-NXSYQRQQSA-N 371.231 4.182 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)O2 587390840 RTNBPRTUTZNGQX-IBGZPJMESA-N 364.357 4.452 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])ccc1F)CC2=O 587466323 KXZSELNWLJSGQU-LJQANCHMSA-N 359.353 4.273 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)ncc2[nH]1 587109450 KCWGXVYAWISRSU-UHFFFAOYSA-N 356.691 4.129 5 1 FIBF Cc1nn(Cc2ccccc2-c2nc3cccc(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587268223 XQRXLZGQMDEOIJ-UHFFFAOYSA-N 365.368 4.139 5 1 FIBF Cc1oc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587269733 ZYTIFXDSDLRSBB-UHFFFAOYSA-N 362.214 4.089 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2[N+](=O)[O-])N1 587748196 SPQPUWJZEZTPNT-JDNHERCYSA-N 365.202 4.120 5 1 FIBF Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2[N+](=O)[O-])c1 169351036 XMEDEAAAJYMUFM-INIZCTEOSA-N 363.826 4.039 5 1 FIBF O=c1c2ccccc2oc2cc(OCCCCN3CCCCC3)cc(O)c12 299827750 RIGZGPBVKWAXGR-UHFFFAOYSA-N 367.445 4.297 5 1 FIBF O=C(O)/C=C\c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586881706 YOLDZVSKXOXAGL-KTKRTIGZSA-N 366.380 4.424 5 1 FIBF O=[N+]([O-])c1cncc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587144738 CPJNINFFSMGJSL-UHFFFAOYSA-N 352.300 4.478 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587262409 RLONDIPHEKWPHC-UHFFFAOYSA-N 354.410 4.094 5 1 FIBF Cc1cnc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587269371 MCICTEQLLCBRRO-UHFFFAOYSA-N 357.801 4.095 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587471830 VYVAMFXGZPFOPI-LJQANCHMSA-N 366.373 4.441 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587262362 QKWNQAJFEUATTQ-UHFFFAOYSA-N 367.192 4.103 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc([N+](=O)[O-])c13)CC2=O 587471455 QPAXQNWYWKNQQR-SFHVURJKSA-N 366.373 4.441 5 1 FIBF C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514459 YQBXCQNSVYVZGJ-OAQYLSRUSA-N 365.385 4.080 5 1 FIBF O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3ccccc3[N+](=O)[O-])C=C2)cc1 2356841663 LOGVTWATNZCHFF-UHFFFAOYSA-N 350.354 4.163 5 1 FIBF CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163980 UFXSSKQXCFYOMS-UHFFFAOYSA-N 369.450 4.248 5 1 FIBF COCCOc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587264851 KQLJHXFWYQLVNB-UHFFFAOYSA-N 369.421 4.461 5 1 FIBF C[C@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587507974 WQWHPDOOESPZSZ-HXUWFJFHSA-N 355.365 4.493 5 1 FIBF CC(C)Oc1ccc2c3ccc4cc5c(cc4c3n(C)cc-2c1=O)OCO5 26381670 JLXBWDKWFPECHU-UHFFFAOYSA-N 361.397 4.312 5 1 FIBF COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C)nc2ccccc12 71341779 WMIODWPBFOHAGZ-UHFFFAOYSA-N 352.350 4.104 5 1 FIBF O=[N+]([O-])c1nc(Cl)ccc1OCCOc1ccc(Cl)cc1Cl 73220942 SZGSESOGCGRDPH-UHFFFAOYSA-N 363.584 4.408 5 1 FIBF COc1cc(OC)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 587266128 VNPMOBYXFREEFV-UHFFFAOYSA-N 365.345 4.415 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cc(Cl)cc(Br)c3O)[nH]c2c1 1857761414 SZWYSOPRIWXTCV-UHFFFAOYSA-N 368.574 4.260 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586973452 ONFRJFFHKBZZGC-UHFFFAOYSA-N 373.394 4.189 5 1 FIBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587113998 PZGKDPMGYRVSCN-SECBINFHSA-N 350.300 4.231 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4nc(C)ccc4c3[nH]2)c1 587261463 BROKLEPWPMKVOW-UHFFFAOYSA-N 362.389 4.258 5 1 FIBF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644072 MJQDDXZVHXUSCY-UHFFFAOYSA-N 351.573 4.080 5 1 FIBF O=[N+]([O-])c1cncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159944 YZRDGPDRKGXFTP-UHFFFAOYSA-N 374.335 4.011 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)c(F)cc4[nH]3)c2)c1 587270717 RBSYTOIHNSTMAB-UHFFFAOYSA-N 352.300 4.478 5 1 FIBF Cc1ccccc1[C@@H](OCCn1c([N+](=O)[O-])cnc1C)c1cccs1 28471649 USLCGAHMNVTYJV-GOSISDBHSA-N 357.435 4.276 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Cl 587017358 UXULCKWQVLMZTD-GFCCVEGCSA-N 350.787 4.100 5 1 FIBF C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510544 LGOWPUIHQRUEGG-FQEVSTJZSA-N 353.374 4.060 5 1 FIBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N+]4(C)O3)[C@@H]12 28364439 WRWFIBSHOMVGDI-PVROWPTGSA-N 360.518 4.002 5 1 FIBF CCOC(=O)c1cc(-c2cccc(OCc3cccc([N+](=O)[O-])c3)c2)on1 45259347 CIGVIOGCXIBVPS-UHFFFAOYSA-N 368.345 4.006 5 1 FIBF COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1F 587109342 HWAOXBBJYSVZTI-UHFFFAOYSA-N 369.274 4.228 5 1 FIBF Cc1cc(N(C)Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c([N+](=O)[O-])cc1F 587137336 VJQSHKXSUYCUNH-UHFFFAOYSA-N 371.416 4.248 5 1 FIBF Cc1c(NC(N)=O)cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587238613 FDGQZELBIPXDTD-UHFFFAOYSA-N 368.400 4.125 5 1 FIBF CCCCN(CCCC)c1ccc2nc3ccc(=[N+](C)C)cc-3oc2c1 28642782 HRIYQPPCURQNHO-UHFFFAOYSA-N 352.502 4.371 5 1 FIBF CCOCc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)o1 586903755 UQLZLLFCCDKWND-UHFFFAOYSA-N 366.171 4.030 5 1 FIBF N[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]1c1ccccc1F 587156424 NIHJWAHNOSLSNM-QRQCRPRQSA-N 369.403 4.140 5 1 FIBF COc1cc([N+](=O)[O-])ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510973 COYNQINTKBSWRY-LJQANCHMSA-N 353.374 4.189 5 1 FIBF O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 165209106 BNTKRMSAWSCVLJ-PPUGGXLSSA-N 373.384 4.246 5 1 FIBF Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880974 RUJDXDAJMONEEL-UHFFFAOYSA-N 374.356 4.207 5 1 FIBF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 587784749 ISEVWFVLRUNRRG-VXGBXAGGSA-N 371.780 4.068 5 1 FIBF Cc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C 1857538526 NNECOGOEZIKFNQ-UHFFFAOYSA-N 352.454 4.447 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1[N+](=O)[O-] 587085404 QUBXNTBJGMFSBL-UHFFFAOYSA-N 369.724 4.248 5 1 FIBF CCOc1cc(C(=O)O)c2c(ccc3ccc(OC)c(OC)c32)c1OC 1611792 HRKRLHFXNCAOAK-UHFFFAOYSA-N 356.374 4.116 5 1 FIBF CC(=O)c1c(Nc2cccc(C)c2)[nH]c2c(Cl)ccc([N+](=O)[O-])c2c1=O 40896486 CUBCGVOLNPCKPK-UHFFFAOYSA-N 371.780 4.344 5 1 FIBF Cc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174246 CHPKTMHIGNVFBI-UHFFFAOYSA-N 367.409 4.107 5 1 FIBF Cc1cc(OCc2ccccc2)n2cc(-c3ccc([N+](=O)[O-])cc3)nc2n1 169350232 UPAGHRSMJDADMX-UHFFFAOYSA-N 360.373 4.192 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc([N+](=O)[O-])c1C)CC2=O 587472568 JZLBETFHQQOXMP-HXUWFJFHSA-N 355.390 4.442 5 1 FIBF O=C(CCc1ccccc1)c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587952870 BIPQJCPIWKDCIF-UHFFFAOYSA-N 374.194 4.049 5 1 FIBF O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)c1ccccc1 1857558020 RVPFYAYFGRHKTA-UHFFFAOYSA-N 368.389 4.093 5 1 FIBF Cc1cc2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc2cc1[N+](=O)[O-] 587027032 MMXDLICEKSEAGQ-UHFFFAOYSA-N 354.391 4.395 5 1 FIBF O=C(NCc1cccc(-c2ccccc2)c1)Nc1ncc([N+](=O)[O-])s1 1857601079 LLLCBEDEQJMRHG-UHFFFAOYSA-N 354.391 4.040 5 1 FIBF CNCCCCNCCCCNCc1c2ccccc2cc2ccccc12 29055543 VKTXIPVKGKSWHU-UHFFFAOYSA-N 363.549 4.452 5 1 FIBF COc1cc2oc3c(OC)c4c(cc3c(=O)c2cc1OC)CCC(C)(C)O4 96928330 FQXFMMJTYNWIBJ-UHFFFAOYSA-N 370.401 4.076 5 1 FIBF O[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1Cl 587057597 CDHGRHXDHIUMLU-LJQANCHMSA-N 360.804 4.394 5 1 FIBF O=C(c1cnc(Cl)nc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280378 VEQSKQWFFUTLRF-UHFFFAOYSA-N 371.658 4.034 5 1 FIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101151982 MMJNDRSEERCWAQ-PMOLBWCYSA-N 355.458 4.193 5 1 FIBF O=C1O/C(=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 586907883 YFVKKFXEPJJXCR-JAIQZWGSSA-N 364.364 4.328 5 1 FIBF CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587268648 ALHQAPCKSFCCQE-UHFFFAOYSA-N 353.378 4.160 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1 587749284 DNFQEXNFWFQAMB-ABKXIKBNSA-N 365.202 4.120 5 1 FIBF O=C(Oc1cccc(-c2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 169312969 WFKUTCSJWDWLLR-UHFFFAOYSA-N 364.313 4.389 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccccc1F 13473019 VRYRHXNOYVTWOA-LJQANCHMSA-N 355.369 4.045 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082263 MEBCPIDRDFABQW-UHFFFAOYSA-N 369.768 4.025 5 1 FIBF Nc1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 1772572012 INDMVRPYSWGEPM-UHFFFAOYSA-N 362.798 4.173 5 1 FIBF O=C(NCc1ccc(-c2ccccc2)cc1)Nc1ncc([N+](=O)[O-])s1 1857594382 KADGVQYICBXHBR-UHFFFAOYSA-N 354.391 4.040 5 1 FIBF O=C(O)c1ccc(-c2nc3ccccc3n2-c2ccc([N+](=O)[O-])cc2)cc1 1911584675 GZPTYLZXUIXHTD-UHFFFAOYSA-N 359.341 4.299 5 1 FIBF CC(=O)Nc1ccc2c(c1)c1cccc3c1c(c1ccccc1n3C)[n+]2C 29135089 OZDAKNOSLUMXBT-UHFFFAOYSA-O 354.433 4.421 5 1 FIBF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587265597 RAPWBAFBPKPYOL-UHFFFAOYSA-N 363.329 4.185 5 1 FIBF COc1cccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587932029 UPVFTCBMIXTXCT-UHFFFAOYSA-N 354.413 4.453 5 1 FIBF COc1cc(C[C@H](O)c2ccc(-c3ccoc3)cc2)c([N+](=O)[O-])cc1OC 653725341 DVFVJVNMWMVQLL-SFHVURJKSA-N 369.373 4.148 5 1 FIBF CSc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468586 OTFMYDQAHGKIGI-ACJLOTCBSA-N 371.418 4.086 5 1 FIBF COc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260967 NBWXMBAQPQKFMT-UHFFFAOYSA-N 367.283 4.174 5 1 FIBF O=[N+]([O-])c1ccc(N(Cc2ccccc2)n2cnnc2)cc1-c1ccccc1 1857620277 SVOHWISBUPWPGM-UHFFFAOYSA-N 371.400 4.323 5 1 FIBF CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587093065 STHIIJAJOAEWQG-UHFFFAOYSA-N 367.331 4.194 5 1 FIBF CSc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587137211 TYOLTARCGRRECW-UHFFFAOYSA-N 360.414 4.277 5 1 FIBF Nc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cnc2c(F)cccc12 587177016 ZLRDIUCRIPASSW-UHFFFAOYSA-N 357.732 4.061 5 1 FIBF COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511599 QOOCDFQXZBLCLY-LJQANCHMSA-N 353.374 4.189 5 1 FIBF COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12 100560339 HVJBDXRXYFUIED-HNNXBMFYSA-N 368.502 4.320 5 3 FIBF O=[N+]([O-])c1cncc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149844 NJXNWVWXTWSBQA-KRWDZBQOSA-N 363.352 4.207 5 1 FIBF N=c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2[nH]1 587253877 MZIPZDSLGGGDSA-UHFFFAOYSA-N 362.396 4.287 5 1 FIBF COCCOc1ccc(-c2nc3ccc(Cl)c(C)c3[nH]2)cc1[N+](=O)[O-] 587265769 QYIYJBWILKXAAM-UHFFFAOYSA-N 361.785 4.125 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Cl)nc2[nH]1 587110324 ZFJRDQYPIITDRA-UHFFFAOYSA-N 356.691 4.129 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587160127 IJFGGWOVHBUACL-UHFFFAOYSA-N 372.100 4.318 5 1 FIBF Cc1cc(Br)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270231 KPEXTLCWISBIBK-UHFFFAOYSA-N 360.211 4.327 5 1 FIBF CC(C)(CC[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1)[N+](=O)[O-] 962713341 RHXORUWOTPTLAZ-GUYCJALGSA-N 352.475 4.066 5 1 FIBF CC(C)=CCc1c(O)cc2oc3oc4cc(O)ccc4c3c(=O)c2c1O 59778194 NOYRXEKDLRHOOL-UHFFFAOYSA-N 352.342 4.318 5 1 FIBF biogenic Cc1nc(-c2ccccc2)sc1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587012940 VISJWKAEQHCUAN-UHFFFAOYSA-N 350.403 4.494 5 1 FIBF CC(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109015 GBSFOOOOSPQNLM-UHFFFAOYSA-N 363.295 4.283 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4c(c3[nH]2)CCCC4)c1 587261471 CAVFDRDQJSNKNX-UHFFFAOYSA-N 351.406 4.280 5 1 FIBF COc1ccc(C2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC3(CCC3)C2)cc1 587936086 RJJMOQUVJXDNCV-UHFFFAOYSA-N 364.405 4.125 5 1 FIBF COCCNc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] 587264144 BFXBRPRBUVTDHH-UHFFFAOYSA-N 366.421 4.075 5 1 FIBF COc1ccc2c(c1)[C@](C)(c1ccc([N+](=O)[O-])c(OC)c1)N(C(C)C)CC2 962086914 DSPPIFKHGYPIST-NRFANRHFSA-N 370.449 4.142 5 1 FIBF COc1cc2oc3c4c(cc(OC)c3c(=O)c2cc1OC)OC(C)(C)C=C4 14780255 HOKSIMRGJUSYMV-UHFFFAOYSA-N 368.385 4.156 5 1 FIBF biogenic,in-vitro CC(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432826 GUSIRVISUKPQFL-UHFFFAOYSA-N 360.442 4.158 5 1 FIBF biogenic,in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)O2 587382722 RGXUPEMALJNFOI-HNNXBMFYSA-N 366.295 4.211 5 1 FIBF O=[N+]([O-])c1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(F)c1 963000807 XEZVTDCCISUJIH-IBGZPJMESA-N 369.421 4.338 5 1 FIBF O=C(O)C[C@H]1CC[C@@H](Oc2ccc3oc4ccccc4c(=O)c3c2)CC1 2382229220 WPCZTCDNQHHXBW-OKILXGFUSA-N 352.386 4.359 5 1 FIBF Cc1cc2oc3ccc(NCC[C@H]4CCCN4C)cc3c(=O)c2cc1C 12476706 PTGLKKAYOKIELG-QGZVFWFLSA-N 350.462 4.459 5 3 FIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)cc1[N+](=O)[O-])CC2=O 587472516 IYAYNVCDFXVVCY-LJQANCHMSA-N 370.405 4.025 5 1 FIBF COc1ccc2c(c1)[C@@](C)(c1ccc([N+](=O)[O-])c(OC)c1)N(C(C)C)CC2 962086918 DSPPIFKHGYPIST-OAQYLSRUSA-N 370.449 4.142 5 1 FIBF O=[N+]([O-])c1cnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083478 WLLXVDAMLZFBOS-UHFFFAOYSA-N 360.160 4.388 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1[N+](=O)[O-] 587575732 KXWZQDRBZHKUMX-XLIONFOSSA-N 363.325 4.003 5 1 FIBF COc1ccc2c(c1OC)[C@H](c1cc([N+](=O)[O-])cc(C)c1F)N(C)[C@H](C)C2 962639520 WIDVJDPREJBTDQ-BLVKFPJESA-N 374.412 4.025 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092997 JBUGSPURQYOAMT-UHFFFAOYSA-N 354.313 4.188 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587160159 JRLWJUKLGUODRS-UHFFFAOYSA-N 359.320 4.374 5 1 FIBF CCCCn1c(=O)c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 1772586459 SZHDGZCRBBMLFB-UHFFFAOYSA-N 362.351 4.456 5 1 FIBF COc1cccc2sc3ccc(NCC[C@@H]4CCCN4C)cc3c(=O)c12 15934049 LAELEPPDLGFLIW-HNNXBMFYSA-N 368.502 4.320 5 3 FIBF O=[N+]([O-])c1cnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150446 QANVZMMGUWDZFZ-KRWDZBQOSA-N 363.352 4.207 5 1 FIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1F 587232359 RESSBAIZXUHBAM-UHFFFAOYSA-N 366.352 4.160 5 1 FIBF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512235 WFYJDYRWAOQIMA-HXUWFJFHSA-N 366.417 4.246 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F 587148481 AVWVTSBARREJLK-UHFFFAOYSA-N 356.140 4.496 5 1 FIBF Cc1cc(Br)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 587160212 MCGZHDASRQBEBE-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645801 KNZHWOXQLAOZHM-UHFFFAOYSA-N 356.353 4.378 5 1 FIBF Cc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075165 DABNFKZJYQYGHS-UHFFFAOYSA-N 371.759 4.425 5 1 FIBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cc(F)ccc1Cl 2485262 CJERYBXUXCVKTE-OAHLLOKOSA-N 352.774 4.166 5 1 FIBF CN(C)CCCNc1c2nc3c(F)cc(F)cc3c-2n(C)c2ccccc12 169721029 KGLNVTRXVSMWHX-UHFFFAOYSA-N 368.431 4.473 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1 587579039 XTJMEQDOSDNNIO-YLJYHZDGSA-N 363.325 4.003 5 1 FIBF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2cccc([N+](=O)[O-])c12 587647624 KLUFRBPFEOICBQ-UHFFFAOYSA-N 363.373 4.345 5 1 FIBF CCc1c(C)nc(Cl)c([N+](=O)[O-])c1[S@](=O)c1cc(C)cc(C)c1 6425330 QNFLCCUNSGWLSH-QHCPKHFHSA-N 352.843 4.298 5 1 FIBF COc1cccc2cc3c(nc12)[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)NCC3 963046549 KNYVCNCCSAJMGQ-GOSISDBHSA-N 369.808 4.040 5 1 FIBF CN(C)CCN=c1[nH]c(/C=C/c2cccs2)nc2cc3ccccc3cc12 1857559511 GAEVEHHBAUZFLY-MDZDMXLPSA-N 374.513 4.410 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587262394 RFHSMVROCNVNEL-UHFFFAOYSA-N 367.739 4.333 5 1 FIBF COCCOc1ccc(-c2nc3cc(C)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587265240 NBUKTQZZZRHQPJ-UHFFFAOYSA-N 361.785 4.125 5 1 FIBF CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587375357 LLKNHKWJELXWEW-GOSISDBHSA-N 360.797 4.410 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc([N+](=O)[O-])cc1F)CC2=O 587465387 HZTNOHPOZFJZQV-MRXNPFEDSA-N 363.316 4.238 5 1 FIBF COc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1[N+](=O)[O-] 963116896 BXAUQPHORIAATM-INIZCTEOSA-N 353.205 4.145 5 1 FIBF Oc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1 13376233 LBHQACSAGWCMAB-UHFFFAOYSA-N 370.269 4.324 5 1 FIBF biogenic,in-vivo O[C@@H]1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 586904322 TWMSEODVBMNFTM-SPLOXXLWSA-N 352.397 4.228 5 1 FIBF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 587226833 URAQRDFPWRAWFC-CQSZACIVSA-N 360.414 4.227 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@@H]3C2)cc1C(F)(F)F 169718567 DVCCDJPGAPRKGE-HTQZYQBOSA-N 354.284 4.180 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N(C)Cc1ccccc1Cl 587645146 XJLNKZUGWBUIJS-UHFFFAOYSA-N 357.797 4.310 5 1 FIBF N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1 26166750 JXBBNZJGCYLUFM-UHFFFAOYSA-N 370.412 4.256 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 587270848 VDRICKVRYPGVFW-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])c(Cl)s1)O2 587411270 SAWKQHBKXGBMLP-OAHLLOKOSA-N 352.799 4.081 5 1 FIBF COc1cccc([C@@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 82162198 WQZMLWGVIABJEZ-CYBMUJFWSA-N 350.378 4.234 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)CC2=O 587465613 FRGNSKGECAYVQB-LJQANCHMSA-N 359.353 4.273 5 1 FIBF Cc1ccccc1Nc1ncn(CC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40918292 NMUSGPPIVLBOOO-UHFFFAOYSA-N 370.796 4.380 5 1 FIBF CSc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 2468593 FTJJMSFGGQXXBZ-YJBOKZPZSA-N 371.418 4.086 5 1 FIBF Cc1ccc([C@H](OCCn2c([N+](=O)[O-])cnc2C)c2cccs2)cc1 28472805 SQKXGONJUQJKHY-SFHVURJKSA-N 357.435 4.276 5 1 FIBF Cc1cc(Br)ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 586981006 IQWHVYWXVOSQED-UHFFFAOYSA-N 362.183 4.121 5 1 FIBF Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])nn4C)nc13)-c1ccccc1C2=O 587096931 FGEPZNKYCOVQHT-UHFFFAOYSA-N 370.368 4.063 5 1 FIBF O=[N+]([O-])c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074435 AHVKKDQNWUPABY-KRWDZBQOSA-N 356.813 4.462 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587269878 IHNSXEPPYKKKHF-UHFFFAOYSA-N 351.284 4.155 5 1 FIBF COc1ccccc1CCNc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82162101 JBVKWWRNCBZWKZ-UHFFFAOYSA-N 364.405 4.023 5 1 FIBF CN(C)C(=O)[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(C)O1 84602321 REAYYLBRUHSYFJ-WOJBJXKFSA-N 358.441 4.349 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2)N1 587747489 ONQYLYZGHNJVOS-ABKXIKBNSA-N 365.202 4.120 5 1 FIBF COc1cccc2cc(-c3ccc4c(=O)oc5ccccc5c4n3)c(=O)oc12 103198703 NYPBVRFHLBLNQA-UHFFFAOYSA-N 371.348 4.123 5 1 FIBF O=C1C[C@H](c2c(F)ccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587504593 JOFGFXWJJWWNDC-MRXNPFEDSA-N 357.337 4.025 5 1 FIBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc(CN3CCCCC3)cc12 103169920 NRHSJEKAUDZBRE-UHFFFAOYSA-N 364.401 4.354 5 1 FIBF NC(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272264 QUJPINMGOYJCIL-UHFFFAOYSA-N 374.356 4.029 5 1 FIBF COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)CC2 587936996 FOWHXYAGLYYDDX-LLVKDONJSA-N 357.797 4.406 5 1 FIBF COc1cc(C[C@@H](O)c2ccc(-c3ccoc3)cc2)c([N+](=O)[O-])cc1OC 653725340 DVFVJVNMWMVQLL-GOSISDBHSA-N 369.373 4.148 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](Cc1cccs1)c1ccccc1 98085656 UZBLQVFRPBBGJQ-KRWDZBQOSA-N 357.435 4.162 5 1 FIBF COc1cc2c3c(c1)O[C@H](c1cccc4nc5ccccc5nc14)[C@@H](C2)C3=O 587437400 ZKZSCMKLLPSGCJ-NPMXOYFQSA-N 368.392 4.280 5 1 FIBF Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(F)ccc4c3c2c1=O 36399508 DEULHOMVRJFYFE-UHFFFAOYSA-N 374.327 4.165 5 1 FIBF C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 101644944 SKNRIMBFFBIGKY-SZJSPXDBSA-N 350.482 4.226 5 1 FIBF C[C@H]1CCc2sc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2C1 587032770 AIZZGHULYJQSNT-QMMMGPOBSA-N 358.379 4.233 5 1 FIBF COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587645154 XSTMQQNUBDKYBR-UHFFFAOYSA-N 359.769 4.299 5 1 FIBF Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O 38793606 UMFBSHOIEWBJOY-UHFFFAOYSA-N 356.337 4.026 5 1 FIBF COC(=O)CCCCCCCCCCSc1ncc([N+](=O)[O-])n1C 169347027 SRBMCLFWQJYZNL-UHFFFAOYSA-N 357.476 4.104 5 1 FIBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3c(Cl)cccc3c21 474609335 PPCYLOAEZMMDIH-UHFFFAOYSA-N 359.772 4.493 5 1 FIBF COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br 586977941 RYMIWENOHJNIPB-XVNBXDOJSA-N 374.194 4.413 5 1 FIBF O=[N+]([O-])c1cncc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113603 VJUZTHMMXFWIHK-UHFFFAOYSA-N 359.267 4.100 5 1 FIBF O=C(Nc1ccccc1)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 35048639 FETUHRBVRFUZAR-UHFFFAOYSA-N 358.357 4.390 5 1 FIBF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587012967 WQRWYRQHHCLSOR-UHFFFAOYSA-N 350.403 4.494 5 1 FIBF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)[nH]c2cc([N+](=O)[O-])ccc12 587648058 ZMOKBLVNHIOXSF-UHFFFAOYSA-N 363.373 4.399 5 1 FIBF COc1cc2c(c3oc(=O)c4c5ccc(O)cc5oc4c13)C(C)(C)[C@H](C)O2 653812749 VSWNGFUSZCRGPP-VIFPVBQESA-N 366.369 4.465 5 1 FIBF CN(CCCN)CCCNCc1ccc2ccc3cccc4ccc1c2c34 26472706 MBZRIXUMICXCED-UHFFFAOYSA-N 359.517 4.344 5 1 FIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc1 587272219 QDBURUNCYHEWER-UHFFFAOYSA-N 367.752 4.374 5 1 FIBF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587951701 IWJYGTQMGFNLSJ-USBNGQNGSA-N 362.386 4.426 5 1 FIBF CCCCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1 95593229 DVXDXSAZPCKWPF-UHFFFAOYSA-N 366.395 4.021 5 1 FIBF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 140118526 ZLENGVWEOQMCOO-ZJOUEHCJSA-N 352.434 4.326 5 1 FIBF Cc1c(F)cccc1-c1cc(-c2nc3cc[nH]c(=N)c3[nH]2)cc([N+](=O)[O-])c1 587136765 MJTBHKWJPXKKLE-UHFFFAOYSA-N 363.352 4.060 5 1 FIBF CCN(CC)CCCNc1nc2ccccc2c2nc3ccccc3nc12 1772635947 RISWDIZQFXOZCB-UHFFFAOYSA-N 359.477 4.475 5 1 FIBF CSc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468589 OTFMYDQAHGKIGI-UGSOOPFHSA-N 371.418 4.086 5 1 FIBF O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccc2c1[nH]c1ccc(O)cc12 73140390 RUQUGMYORPLXII-UHFFFAOYSA-N 372.340 4.042 5 1 FIBF CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(=O)c2cc(C)cc(N)c2O1 587389641 MHKIDLDYYJXNSL-FQEVSTJZSA-N 365.389 4.237 5 1 FIBF COc1ccc(/C=C(\F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 40892173 KIXSZXOSDLWBNF-QPEQYQDCSA-N 363.341 4.097 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C\Cl 587645141 XFMVJDUEYRLRBH-OQLLNIDSSA-N 368.780 4.495 5 1 FIBF Cc1cc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2cc1[N+](=O)[O-] 587139422 JWFBPVMYINLAHY-UHFFFAOYSA-N 350.693 4.147 5 1 FIBF Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1nc(O)c1c(O)cccc12 1857573149 SXMJKVATNLNCJY-GFCCVEGCSA-N 360.413 4.500 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587270691 QOQBMTGFPOJVAD-UHFFFAOYSA-N 353.275 4.414 5 1 FIBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587511378 PMJBXGAEJGYBPY-GOSISDBHSA-N 353.374 4.189 5 1 FIBF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644831 CSPUIMJPNJZCHR-UHFFFAOYSA-N 352.243 4.465 5 1 FIBF CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2sccc12 43065459 ZOWCOZNYWGCRIZ-UHFFFAOYSA-N 351.475 4.217 5 1 FIBF COc1cc2c3c(c1)O[C@@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434089 QZVPUHXCBBFLCE-YWZLYKJASA-N 353.374 4.216 5 1 FIBF COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C)cc(Cl)cc12 587626006 BNDIJCCQTIQJFV-UHFFFAOYSA-N 372.764 4.061 5 1 FIBF Cc1cccc([C@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 13473023 DHGMQDJRQOVYBL-HXUWFJFHSA-N 351.406 4.214 5 1 FIBF Fc1ccc2c(c1)C[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 587174463 PRAABICHKBTDBK-INIZCTEOSA-N 356.360 4.475 5 1 FIBF COc1ccc2c([S@@](=O)c3ccc([N+](=O)[O-])cc3)c3ccoc3nc2c1 29044139 CVHQRCGLEMJPCC-AREMUKBSSA-N 368.370 4.065 5 1 FIBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4c(C)cccn4c32)cc1 103232303 YCPKLYRLZWYWTO-UHFFFAOYSA-N 369.424 4.168 5 1 FIBF C=CC(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587243630 GZHXPOADPRDLBB-UHFFFAOYSA-N 365.396 4.451 5 1 FIBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1cccs1 1772604273 OLXYVGUWYKLFSS-UHFFFAOYSA-N 363.398 4.082 5 1 FIBF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c([N+](=O)[O-])cccc31)CC2=O 587469345 CXDPKXHKYZVJOP-NRFANRHFSA-N 367.401 4.450 5 1 FIBF O=[N+]([O-])c1cc2c(O)c(-c3ccc(F)cc3F)c(O)nc2cc1Cl 36185250 WGYLUERNBCIDCK-UHFFFAOYSA-N 352.680 4.153 5 1 FIBF Cc1nc(-c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163551 WXMHMAIWPWYZKC-UHFFFAOYSA-N 365.393 4.146 5 1 FIBF Cc1ccc2c(c1)c(C1CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC1)cn2C 22661845 AFNUFWMZUGLPLX-UHFFFAOYSA-N 367.405 4.008 5 1 FIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587744569 HAJMXLVSOQHOLE-XMZIXOGTSA-N 373.266 4.173 5 1 FIBF N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]1c1ccccc1F 587155700 KJGHQTGEEASITJ-MCMMXHMISA-N 369.403 4.140 5 1 FIBF Nc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1N 587271818 JDNMIRSSHZYMLJ-UHFFFAOYSA-N 361.361 4.095 5 1 FIBF O=C(Nc1cccnc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647095 PUNDBOHRZSBHNY-UHFFFAOYSA-N 358.357 4.390 5 1 FIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587746038 LCWCXOVJKADITK-XMZIXOGTSA-N 373.266 4.173 5 1 FIBF Cc1cc([N+](=O)[O-])ccc1NC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874430 ABIZFLRVZRXOMK-UHFFFAOYSA-N 354.297 4.092 5 1 FIBF CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587155015 IISDOTBXJLWLJS-AWEZNQCLSA-N 360.301 4.049 5 1 FIBF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc([N+](=O)[O-])cc31)CC2=O 587469370 DBRGZLNHJVEKCT-NRFANRHFSA-N 367.401 4.450 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])s2)N1 587849336 SUZAJGOKKQNBCL-UOWDBTKRSA-N 371.231 4.182 5 1 FIBF O=C(O)c1c2c3ccc(NCc4cccs4)c4cccc(c-2nc1=O)c43 45389602 URVWUHROKFMYAC-UHFFFAOYSA-N 360.394 4.100 5 1 FIBF O=C(O)c1cc2c(-c3cccc(C(F)(F)F)c3)ccc([N+](=O)[O-])c2[nH]1 103242925 NFLZIPAMVQWBCS-UHFFFAOYSA-N 350.252 4.460 5 1 FIBF COc1cc(OC)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047473 IKUXGGRTCHEQMA-GQCTYLIASA-N 359.769 4.312 5 1 FIBF CCOc1cc2ncc3c(N)nc(-c4cccnc4)cc3c2cc1OCC 45260631 SZWBKBGBZNLSTR-UHFFFAOYSA-N 360.417 4.225 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3cc([N+](=O)[O-])ccc3o1)O2 587388610 DTYJRHBAHPRKFA-LJQANCHMSA-N 352.346 4.112 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587473359 SLFOZBHAVWXIPY-FQEVSTJZSA-N 371.389 4.142 5 1 FIBF O=C(O)c1ccc2c(c1)nc(Nc1cncc(C3CC3)c1)c1ccncc12 199791401 XWAUMCLZMHKIQD-UHFFFAOYSA-N 356.385 4.497 5 1 FIBF Cc1ccc(Cl)cc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2498685 UHGLJKRBYOWEJL-KSSFIOAISA-N 373.796 4.326 5 1 FIBF CCOc1n[nH]c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cl 587064770 FMTIRHIGKKIFJH-UHFFFAOYSA-N 364.796 4.102 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc([N+](=O)[O-])cc1F)CC2=O 587465385 HZTNOHPOZFJZQV-INIZCTEOSA-N 363.316 4.238 5 1 FIBF Cc1c(F)cccc1-c1cc(-c2nc3cc(=N)[nH]cc3[nH]2)cc([N+](=O)[O-])c1 587136469 IBOJPJDLLYALTN-UHFFFAOYSA-N 363.352 4.060 5 1 FIBF NC(=O)c1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272151 OLWASNIJJZWLKX-UHFFFAOYSA-N 374.356 4.029 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])s1 587609049 BHGMSBFSWKWBJI-CRAIPNDOSA-N 369.354 4.065 5 1 FIBF Nc1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1[N+](=O)[O-] 587267628 BWUZSDODDLBIJN-UHFFFAOYSA-N 355.357 4.422 5 1 FIBF Cc1ccc(-c2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c2Br)cc1 1772616171 ZJASFCDJZUTTCG-UHFFFAOYSA-N 359.179 4.174 5 1 FIBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CS3)cc(O)c12 45373227 GOGKSYQNMRWPNQ-AWEZNQCLSA-N 350.395 4.299 5 1 FIBF Cc1cnc(-c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163434 DRCDZWKMTNQJMT-UHFFFAOYSA-N 365.393 4.370 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587160137 IRYQCOHTCGIJRT-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF O=[N+]([O-])c1cn2c(n1)S[C@H](COc1ccc(Oc3ccccc3)cc1)C2 1772657546 SBGAHYUOJSRTHY-INIZCTEOSA-N 369.402 4.137 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc([N+](=O)[O-])c2)N1 587848678 PJDNGECFOUZMNL-JKYUHCHBSA-N 371.231 4.182 5 1 FIBF Cc1c(-c2nc3ccc(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979338 AZARGOJBEUAWOO-UHFFFAOYSA-N 368.137 4.487 5 1 FIBF Cc1cc(N(C)Cc2nc3ccc4c(c3[nH]2)CCCC4)c([N+](=O)[O-])cc1F 587136680 IKMOJNKNFZDGMO-UHFFFAOYSA-N 368.412 4.434 5 1 FIBF O=C(c1cscc1Br)c1coc2cc([N+](=O)[O-])ccc12 587280595 LLHDEUMKZMHDBA-UHFFFAOYSA-N 352.165 4.396 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(C)(C)c1ccc([N+](=O)[O-])cc1)O2 587390976 TXZWNAHEOBCJGR-FQEVSTJZSA-N 354.406 4.187 5 1 FIBF CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2cc([N+](=O)[O-])ccc12 587646533 FMKQOTBAWFRKLN-UHFFFAOYSA-N 368.393 4.409 5 1 FIBF COc1ccc(/C=C\Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(OC)c1 587929720 PABNRJFDRUVZDC-ARJAWSKDSA-N 373.796 4.398 5 1 FIBF CCN(CC)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccc(F)cc12 49563432 CBGZTJDHSNGSBA-UHFFFAOYSA-O 365.476 4.192 5 1 FIBF CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 299826224 FQTXMRWAVOGRON-CYBMUJFWSA-N 366.421 4.412 5 1 FIBF N[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]1c1ccccc1F 587156420 NIHJWAHNOSLSNM-NYHFZMIOSA-N 369.403 4.140 5 1 FIBF C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514458 YQBXCQNSVYVZGJ-NRFANRHFSA-N 365.385 4.080 5 1 FIBF C[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587157306 SGLPWHBXPUBGEA-QGZVFWFLSA-N 374.759 4.055 5 1 FIBF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4c4ncccc14)[C@@H](C2)C3=O 587435567 HDFKJRCYGGGSCF-HJPURHCSSA-N 368.392 4.280 5 1 FIBF COc1cc(OC)c2c(=O)c3cc(N)c(Cl)cc3n(CCC(C)C)c2c1 40949659 GBKYEGJDBPRTMJ-UHFFFAOYSA-N 374.868 4.454 5 1 FIBF Cc1cc(=O)oc2c1ccc1c(OCC(=O)NC3CCCCC3)cccc12 84632400 IDJGZTOKROXXEI-UHFFFAOYSA-N 365.429 4.082 5 1 FIBF O=[N+]([O-])c1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)c1 587622371 AHEXYLBCCJTUOP-UHFFFAOYSA-N 373.166 4.088 5 1 FIBF CCOc1ccc2[nH]c3cc(NC(=O)c4ccccc4)ccc3c(=N)c2c1 1772598479 JSBSXBXRZBVVAQ-UHFFFAOYSA-N 357.413 4.452 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Cl 587017359 UXULCKWQVLMZTD-LBPRGKRZSA-N 350.787 4.100 5 1 FIBF COc1cc2c3c(c1)O[C@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434088 QZVPUHXCBBFLCE-MGPUTAFESA-N 353.374 4.216 5 1 FIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587268320 RALACFXAKFQHEK-UHFFFAOYSA-N 354.197 4.146 5 1 FIBF CCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCCC)C2=O 103216979 UXEHONDHCUDAEG-UHFFFAOYSA-N 369.421 4.356 5 1 FIBF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1 963114039 VVLXKAHMLXCEPR-MRXNPFEDSA-N 353.205 4.145 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587098058 QGLSTTAQGDBOSD-UHFFFAOYSA-N 370.218 4.204 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2)N1 587748318 ULAIOCINCFQTFX-FVMDXXJSSA-N 365.202 4.120 5 1 FIBF O=C(/C=C/c1ccccc1)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 653716275 MTPRHCWAUKIBAF-ZHACJKMWSA-N 358.349 4.271 5 1 FIBF CCc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264571 IDFOIBCULDESKB-JTQLQIEISA-N 355.354 4.115 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Br)cc1 587644300 SZFFTXCIALONKR-UHFFFAOYSA-N 359.179 4.378 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 587749286 DNFQEXNFWFQAMB-JDNHERCYSA-N 365.202 4.120 5 1 FIBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587162821 DXJAYWAKNFWKON-NRFANRHFSA-N 371.419 4.449 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])s2)N1 587847175 JOHMNHFKAUHKSC-UOWDBTKRSA-N 371.231 4.182 5 1 FIBF Cc1cnc(NCCCN(C)C)c2c3c4ccc(O)cc4ccc3n(C)c12 1888407 JHIZYYHKPQBPFW-UHFFFAOYSA-N 362.477 4.257 5 1 FIBF O=c1c(-c2ccc([N+](=O)[O-])cc2)c(O)[nH]c2cc(Cl)cc(Cl)c12 13727264 RVJGGXHSQRVBHL-UHFFFAOYSA-N 351.145 4.116 5 1 FIBF CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163788 BAPKGOOEWSWAGD-LLVKDONJSA-N 353.382 4.226 5 1 FIBF Cc1cc(N(C)Cc2nc3cc(Cl)cc(F)c3[nH]2)c([N+](=O)[O-])cc1F 587136528 GGUNUWIZVFEJCN-UHFFFAOYSA-N 366.755 4.348 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1F 587139841 PKSIQXHYMVVTOI-UHFFFAOYSA-N 360.654 4.344 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1F 587150550 LVYUADXZGDMCDE-UHFFFAOYSA-N 356.140 4.496 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc([N+](=O)[O-])c2)N1 587845630 FBHLBBVGTSURAH-UOWDBTKRSA-N 371.231 4.182 5 1 FIBF CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2c1ccc1ccccc12 1857546675 SWMOFCBZETUDEA-UHFFFAOYSA-N 369.468 4.346 5 1 FIBF CCSC[C@](O)(CC)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820514 SSOHLBJGWJPEFO-CQSZACIVSA-N 362.373 4.446 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(F)c(F)c4[nH]3)c2)c1 587270681 QHHMCLGPIKVKAO-UHFFFAOYSA-N 352.300 4.478 5 1 FIBF O=C(/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccccc1 587243160 CAHQSIYWKFVFHB-ZHACJKMWSA-N 365.396 4.311 5 1 FIBF Cc1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)CC(C)(C)CC1=N2 104090807 MUJNKMALJIBVBG-MRXNPFEDSA-N 352.394 4.476 5 1 FIBF O=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(F)(F)F 141514786 BOKSHKSNYIKJED-UHFFFAOYSA-N 371.315 4.269 5 1 FIBF CN(C)CCCNc1c2nc3ccc(F)cc3c-2n(C)c2ccccc12 169721021 VIHKSYZNVFGOCA-UHFFFAOYSA-N 350.441 4.334 5 1 FIBF Cc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1[N+](=O)[O-] 586979834 WQIISDCOJXPYCM-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1 587576002 MEDTYBNUKVMDRB-FXAWDEMLSA-N 363.325 4.003 5 1 FIBF O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccnc2cc(Cl)ccc12 84711618 DINDEPNPTTUNSU-VMPITWQZSA-N 353.765 4.448 5 1 FIBF Cc1cc2[nH]c(-c3ccc(Br)cc3F)nc2cc1[N+](=O)[O-] 587142498 CRSFZVJKLBWFHI-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1 13863705 VGQFBYXDHFTAHX-UHFFFAOYSA-N 372.384 4.400 5 1 FIBF CCCn1cc2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c21)OCO4 26386987 SUSGWCYYCYHXFF-UHFFFAOYSA-N 361.397 4.407 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 587159124 MUDKIAKSYZTXAP-UHFFFAOYSA-N 374.335 4.011 5 1 FIBF Cc1cc2oc3cc(NCC[C@H]4CCCN4C)ccc3c(=O)c2cc1C 101963038 SIDMMKXHVPHVOG-QGZVFWFLSA-N 350.462 4.459 5 3 FIBF COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c[n+]3c(cc21)CCC3 13360260 ZXSRAKAUOUQSGT-UHFFFAOYSA-N 360.433 4.406 5 1 FIBF biogenic,in-vitro Cc1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1[N+](=O)[O-] 587006436 NNGYCGIKJWKDFC-UHFFFAOYSA-N 371.194 4.462 5 1 FIBF O[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1Cl 587057596 CDHGRHXDHIUMLU-IBGZPJMESA-N 360.804 4.394 5 1 FIBF COc1ccc2c(c1)c1c3c[n+](CCN4CCCCC4)ccc3ccc1n2C 5161530 FMKATJJXYCYEMZ-UHFFFAOYSA-N 374.508 4.267 5 1 FIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Cl)ncnc2[nH]1 586968404 DBBJSEDMOCMKSR-UHFFFAOYSA-N 363.830 4.330 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(F)c(F)c3)[nH]c12 587144414 WFZHLWCNXRAOSA-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c(=Nc3cccc(O)c3)c2c1 1857745200 YDZKVKORABWZAI-UHFFFAOYSA-N 358.357 4.076 5 1 FIBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587049707 UMMAGRWJBQPMCY-UHFFFAOYSA-N 358.785 4.386 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)c3ccc([N+](=O)[O-])cc31)O2 587390855 SBPOAVAQKQNDIQ-HXUWFJFHSA-N 352.390 4.027 5 1 FIBF O=C1C[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)Oc2c1ccc1c2CCCC1 587511483 GYBWUJMUTGXUTB-OAQYLSRUSA-N 365.385 4.117 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587262084 MSJGKTKPWMDGFU-UHFFFAOYSA-N 367.192 4.103 5 1 FIBF C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)NCCc2cccc(-c3ccccc3)c21 962671055 WCPRTJWMLPLWKX-JOCHJYFZSA-N 359.429 4.253 5 1 FIBF CCN(CC)CCn1c2ccccc2c2sc3ncccc3c(=O)c21 1857578753 LPUZJAIQMGSHOE-UHFFFAOYSA-N 351.475 4.106 5 1 FIBF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 72115055 ZDUCNNBFWHZSKN-HXUWFJFHSA-N 374.396 4.339 5 1 FIBF CCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)C1 95579177 DOLWXYFVSPCOTR-UHFFFAOYSA-N 351.446 4.397 5 1 FIBF Nc1ncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587268417 WUEMKGQCFQJJEL-UHFFFAOYSA-N 363.402 4.267 5 1 FIBF O=[N+]([O-])c1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1 73198063 PJVFWTUNYWQSSP-UHFFFAOYSA-N 369.431 4.078 5 1 FIBF O=C(O)c1cc2c(-c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2[nH]1 103244188 VWKNTTXTYUWGGN-UHFFFAOYSA-N 350.252 4.460 5 1 FIBF C[C@@]1(c2cc([N+](=O)[O-])ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505400 MTHYQFFPGAERSP-FQEVSTJZSA-N 355.365 4.493 5 1 FIBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587927675 SKFKEJDWOOMZAZ-CYBMUJFWSA-N 355.394 4.339 5 1 FIBF Cc1nc2ccc3cnc(N(C)c4cccc([N+](=O)[O-])c4)nc3c2s1 34434225 BUBBOLABRKMKTQ-UHFFFAOYSA-N 351.391 4.224 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3c3ncccc13)O2 587396287 YHYWHWNOKZRLRO-IBGZPJMESA-N 355.397 4.380 5 1 FIBF CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc2ccccc2c1 95580555 QFMSNIUZLUERAM-UHFFFAOYSA-N 361.401 4.323 5 1 FIBF Cc1cc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c(C)n1 586980060 OIZWIHMWCLOHJN-UHFFFAOYSA-N 361.199 4.221 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 587269313 AIKHFLKAYIDITQ-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF COc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cn1 586973012 LZMHHSSNALNUOW-UHFFFAOYSA-N 358.423 4.290 5 1 FIBF O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645244 MEJLBNJMIVYLMH-UHFFFAOYSA-N 352.243 4.465 5 1 FIBF CCOC(=O)C1=C(C)NC(c2ccccc2)=C[C@H]1c1ccc([N+](=O)[O-])cc1 137630012 YYVSBISRUIKORF-SFHVURJKSA-N 364.401 4.160 5 1 FIBF O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3cc(F)ccc3c12 58627037 CVHBLYPDFNJGEI-UHFFFAOYSA-N 360.300 4.154 5 1 FIBF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587507246 BLGWHGILHMOTMN-NRFANRHFSA-N 367.401 4.363 5 1 FIBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587511379 PMJBXGAEJGYBPY-SFHVURJKSA-N 353.374 4.189 5 1 FIBF CCc1nc(NC(CC)CC)c(CC)nc1Nc1ncccc1[N+](=O)[O-] 28956220 GLTYGQZUPWFIAB-UHFFFAOYSA-N 358.446 4.249 5 1 FIBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nccnc12 66104624 KJEMKYFGYRZDJV-UHFFFAOYSA-N 350.765 4.273 5 1 FIBF O=[N+]([O-])c1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875410 FAXGKTRTMJMECE-UHFFFAOYSA-N 356.338 3.948 5 1 FIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2CC[C@H]3C2)cc1C(F)(F)F 169718568 DVCCDJPGAPRKGE-YUMQZZPRSA-N 354.284 4.180 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1F 587137726 IHHLYQRTAPLIEW-UHFFFAOYSA-N 372.100 4.318 5 1 FIBF COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587645210 ZNOVECRLBHOMKL-UHFFFAOYSA-N 359.769 4.299 5 1 FIBF COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645366 SIFGZALRYASHSC-UHFFFAOYSA-N 364.279 4.335 5 1 FIBF COC(=O)c1c2cc(Br)ccc2nc2c1[nH]c1ccccc12 34470757 YSTYJKOSTMMHRY-UHFFFAOYSA-N 355.191 4.418 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cncc(Br)c3[nH]2)c1F 587139854 QDNRXAHVZINZIJ-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)O2 587375338 LDLRJDRYZZEDOJ-CYBMUJFWSA-N 367.188 4.499 5 1 FIBF COc1cccc(C2(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CCCC2)c1 587929918 AMWOZRRKCVNENM-UHFFFAOYSA-N 355.369 4.479 5 1 FIBF CCCN(CCC)CCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1 1857535710 IVNXRXDHSGRMAO-UHFFFAOYSA-N 374.431 4.460 5 1 FIBF Cc1c(Cl)c(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12 14769915 GRNSTMJGXYTCDS-UHFFFAOYSA-N 361.564 4.332 5 1 FIBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1ccccc1[N+](=O)[O-])O2 587408461 GPWVSYWKKRFSJB-GOSISDBHSA-N 358.419 4.002 5 1 FIBF O=Cc1ccc(OCc2occc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586900391 IQMPWDJZMPNDTK-UHFFFAOYSA-N 363.329 4.123 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(C)cc1F)CC2=O 587464879 CJEIRFWKORPANG-GOSISDBHSA-N 359.353 4.407 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@](O)(c1ccccc1)C(F)(F)F 587645026 HSZQQJCLRGCHIP-INIZCTEOSA-N 350.296 4.183 5 1 FIBF COc1cnc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Cl 587065210 VUIJXMLHYCZNBA-UHFFFAOYSA-N 361.792 4.383 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccnc(Br)c3[nH]2)c1F 587138974 BLPICBNRXQVWTE-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF Nc1ccc(-c2ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3c2)cc1N 587270979 ZGCSEHLLUIAWSS-UHFFFAOYSA-N 373.416 4.088 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 587749287 DNFQEXNFWFQAMB-XXFAHNHDSA-N 365.202 4.120 5 1 FIBF CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1 14970285 LRKMGXVITBTUOC-UHFFFAOYSA-N 356.425 4.346 5 1 FIBF Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2cc1[N+](=O)[O-] 587108636 GLLZHCMXPKUILQ-UHFFFAOYSA-N 365.267 4.164 5 1 FIBF Cc1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2cc1[N+](=O)[O-] 587120201 CDURXSZVFHFZEY-UHFFFAOYSA-N 361.283 4.342 5 1 FIBF CC/C=C\Cc1c(O)cc2oc3oc4cc(O)ccc4c3c(=O)c2c1O 238773201 DXXYUSZBFIXKEM-ARJAWSKDSA-N 352.342 4.318 5 1 FIBF N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1Cl 587055411 BLDNRDRMRXGGAT-NSHDSACASA-N 351.193 4.020 5 1 FIBF Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cccc1[N+](=O)[O-] 587261221 ZGYOSUNRTSDOED-UHFFFAOYSA-N 372.253 4.496 5 1 FIBF O=C(O)c1cc([N+](=O)[O-])c2ccc(/C=C/c3ccccc3Cl)nc2c1O 28957935 KYWDFGCEXNBSSN-AATRIKPKSA-N 370.748 4.371 5 1 FIBF CC(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587049940 JWVMTWRWMYNDJK-UHFFFAOYSA-N 365.176 4.403 5 1 FIBF C[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587157305 SGLPWHBXPUBGEA-KRWDZBQOSA-N 374.759 4.055 5 1 FIBF O=[N+]([O-])c1cccc([C@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)c1 1857538889 UYUDNALWNUOOCC-HXUWFJFHSA-N 369.384 4.048 5 1 FIBF O=[N+]([O-])c1ccc2c(c1)[C@@H](O)CN(C1CCC(c3ccccc3)CC1)CC2 1857763307 USNRENBQWMCQQB-FQVRHNBASA-N 366.461 4.213 5 1 FIBF O=[N+]([O-])c1cccc2c(Oc3ccc(Br)cc3)cc(O)nc12 299862676 KAPVOGFKEIHUEZ-UHFFFAOYSA-N 361.151 4.403 5 1 FIBF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1 2356821074 YEIYWRLDRSUWBA-MJGOQNOKSA-N 350.459 4.050 5 1 FIBF CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O 590745 GRLDAHPZRAVINS-UHFFFAOYSA-N 353.381 4.333 5 1 FIBF C[N+](C)(CCCCCCCCc1ccccc1)CCCCS(=O)(=O)O 26576173 QMLRWOFQXSIXIW-UHFFFAOYSA-O 370.579 4.314 5 1 FIBF in-vivo O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622596 DEWKVIATQMXICB-UHFFFAOYSA-N 371.194 4.250 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116069 MKTOOQRWRGQBAQ-UHFFFAOYSA-N 359.267 4.100 5 1 FIBF O=C1C[C@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587509852 JVKRPJDYGCTBNV-QGZVFWFLSA-N 368.345 4.088 5 1 FIBF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587508953 HIYXFUPVOAVIKL-GOSISDBHSA-N 353.374 4.189 5 1 FIBF CC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccc([N+](=O)[O-])cc1 66078841 NRHWHYDIWIYRPQ-NRFANRHFSA-N 359.385 4.446 5 1 FIBF N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]1c1ccccc1F 587156418 NIHJWAHNOSLSNM-IVZQSRNASA-N 369.403 4.140 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631875 YGAPAXLJXFYRMD-QGZVFWFLSA-N 364.760 4.267 5 1 FIBF C[N+](C)(CCCCOc1ccccc1Cl)Cc1ccc([N+](=O)[O-])o1 169318419 HVVNKSIZQOZCGB-UHFFFAOYSA-N 353.826 4.277 5 1 FIBF O=[N+]([O-])c1c([C@H](O)c2cc(Cl)cc(Cl)c2O)[nH]c(Cl)c1Cl 14684496 WKEODUMIDZIAED-SNVBAGLBSA-N 371.991 4.324 5 1 FIBF biogenic,in-vitro O=C(Oc1cc(O)nc2c1ccc1ccccc12)c1ccc([N+](=O)[O-])cc1 1772603484 MSHABCMSUOOTFF-UHFFFAOYSA-N 360.325 4.221 5 1 FIBF O=C(O)c1cc(F)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047176 DBEMRDWCDNTGIT-RQOWECAXSA-N 361.716 4.132 5 1 FIBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449285 CBOUBUMHWAUFNU-AUUYWEPGSA-N 371.414 4.204 5 1 FIBF O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 71405032 CKUHUIXBEJDSQR-UHFFFAOYSA-N 371.563 4.356 5 1 FIBF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc([N+](=O)[O-])o2)nc1 145068827 LXIGTQOHFSELAX-UHFFFAOYSA-N 373.365 4.267 5 1 FIBF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587508954 HIYXFUPVOAVIKL-SFHVURJKSA-N 353.374 4.189 5 1 FIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccn3)oc12 2382232140 PNRMQAAWCOUZQV-UHFFFAOYSA-N 363.369 4.034 5 1 FIBF C[C@H](C(=O)O)N(Cc1ccccc1Cl)Sc1ccc([N+](=O)[O-])cc1 10450438 PPJZFXKMEZSPDZ-LLVKDONJSA-N 366.826 4.231 5 1 FIBF CC[C@H](C)OC(=O)c1c(C)nc(SC)nc1-c1cccc([N+](=O)[O-])c1 29325442 FISOFZOSQICWQY-JTQLQIEISA-N 361.423 4.037 5 1 FIBF CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 100834245 VNKSUONYUGXCCC-BBTUJRGHSA-N 352.434 4.326 5 1 FIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587746036 LCWCXOVJKADITK-LYOVBCGYSA-N 373.266 4.173 5 1 FIBF O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)c1ccccc1[N+](=O)[O-] 96285801 GJOPJCPFQFYWPG-UHFFFAOYSA-N 350.330 4.345 5 1 FIBF COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260782 FFMXSNSADZYPOH-UHFFFAOYSA-N 355.394 4.453 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1 587747492 ONQYLYZGHNJVOS-XXFAHNHDSA-N 365.202 4.120 5 1 FIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl 587047343 GVWGLJWIPCHITO-HYXAFXHYSA-N 371.780 4.456 5 1 FIBF COc1cccc(N=c2[nH]c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1 1857750182 FRUOHSHDMMUMEA-UHFFFAOYSA-N 372.384 4.379 5 1 FIBF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@@H]1N2C 53229805 XHZNIFLABLRQGZ-UNMCSNQZSA-O 366.485 4.120 5 1 FIBF CNc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587510390 KPKUXFWAMYFGEW-OAQYLSRUSA-N 366.417 4.396 5 1 FIBF Cc1cccc2c1oc(=O)c1ccc(-c3cc4ccccc4oc3=O)nc12 103198785 IMHXKXUPILJXOW-UHFFFAOYSA-N 355.349 4.423 5 1 FIBF COc1ccc2c(=O)c3c(O)cc(OC)c(CC=C(C)C)c3oc2c1OC 137907005 PGLBXWWQGJNGQJ-UHFFFAOYSA-N 370.401 4.186 5 1 FIBF O=C(c1ccc(Br)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587280078 IIHUPMIERQJGRT-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF CS(=O)(=O)c1ccc2[nH]c(C3CC3)c(-c3ccccc3[N+](=O)[O-])c2c1 587650995 YJQJTIHRAVPUOX-UHFFFAOYSA-N 356.403 4.024 5 1 FIBF COC(=O)CCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 29462492 XTEAVIHRHNQFEQ-UHFFFAOYSA-N 356.806 4.090 5 1 FIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cc(Cl)c2[nH]1 587269525 PPMGTGYCHJVFBQ-UHFFFAOYSA-N 366.160 4.169 5 1 FIBF CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418718 ASJFSNHPFKTWMJ-BFUOFWGJSA-N 373.792 4.310 5 1 FIBF CCc1nc(NC(CC)CC)c(CC)nc1Nc1ccc([N+](=O)[O-])cn1 28956221 DUUQGQLLFQEBIG-UHFFFAOYSA-N 358.446 4.249 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587627377 UBFYIHPNBXEWLE-GOSISDBHSA-N 360.797 4.437 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@](O)(c1ccccc1)C(F)(F)F 587645480 WNDYXJLMRCZEAN-MRXNPFEDSA-N 350.296 4.183 5 1 FIBF CCNc1cc2ncnc(NCCc3ccc(Cl)cc3)c2cc1[N+](=O)[O-] 27634780 HIZNRZWWDUNELV-UHFFFAOYSA-N 371.828 4.278 5 1 FIBF CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)s1 587014631 NZXBLRQFSBBNMF-MRVPVSSYSA-N 350.375 4.140 5 1 FIBF Cc1c(-c2nc3ccc(Br)c(F)c3[nH]2)cccc1[N+](=O)[O-] 587261088 SLUXYUDCEIVLIP-UHFFFAOYSA-N 350.147 4.348 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cnc3[nH]2)c1F 587139632 MQYGWHOXSZGDJX-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF O=[N+]([O-])c1cnc(NC2CCCC2)nc1Nc1ccc2ncsc2c1 64531999 OSQVPOLKFGENNR-UHFFFAOYSA-N 356.411 4.093 5 1 FIBF N[C@@H](Cc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587058113 DHJKCRKHQLRHBT-NSHDSACASA-N 351.193 4.020 5 1 FIBF N=C(N)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271983 MQHWBXCCPLJOTG-UHFFFAOYSA-N 373.372 4.214 5 1 FIBF COCCOc1ccc(-c2nc3cc(Cl)cc(C)c3[nH]2)cc1[N+](=O)[O-] 587266043 UTEZMGYUHINTHE-UHFFFAOYSA-N 361.785 4.125 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)c1ccccc1Cl 28468860 LXDISTIYYFMMHC-IBGZPJMESA-N 370.840 4.132 5 1 FIBF C[C@@H](Sc1ncccn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586962892 BWJNZNURYPQYKF-LLVKDONJSA-N 358.430 4.303 5 1 FIBF COc1cncc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586973629 PTLPWJDAVNUAFS-UHFFFAOYSA-N 358.423 4.290 5 1 FIBF O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1F 587151570 RQUNDCNLQMCMMQ-UHFFFAOYSA-N 373.237 4.347 5 1 FIBF O=C1c2cccnc2-c2ccnc3c2c1nc1cc(Br)ccc13 34173461 MYAFLZGOPIUONN-UHFFFAOYSA-N 362.186 4.152 5 1 FIBF biogenic CCCc1c(O)ccc2c1O[C@]1(CCCc3c([N+](=O)[O-])cccc31)CC2=O 587469348 CXDPKXHKYZVJOP-OAQYLSRUSA-N 367.401 4.450 5 1 FIBF O=C(Cn1c(=O)sc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 1857534219 RFPJZCWJRYSDQK-UHFFFAOYSA-N 364.382 4.007 5 1 FIBF CC(=O)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772628420 IHVRSAXQCHDJCH-UHFFFAOYSA-N 350.208 4.107 5 1 FIBF Cc1c(Cl)cccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2498664 VPLIKOGYHZELOC-RDTXWAMCSA-N 373.796 4.326 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1cccc(F)c1)c1cccs1 28468855 NAQBLTTUJNZZNS-KRWDZBQOSA-N 361.398 4.107 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC)c([N+](=O)[O-])c1)CC2=O 587473494 WCWSBTHWQUQHME-GOSISDBHSA-N 356.378 4.001 5 1 FIBF COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(OC)c1O 587785015 GWCFZUNNDSZPLB-UHFFFAOYSA-N 372.384 4.049 5 1 FIBF N=c1[nH]c(-c2cccc([N+](=O)[O-])c2)c(C(=O)c2ccccc2Cl)s1 1857756044 WFDZTPJRBRDGAA-UHFFFAOYSA-N 359.794 4.015 5 1 FIBF Cc1c(CC[C@H](C)[N+](=O)[O-])nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987884 UJICUYMOLUDUSM-NSHDSACASA-N 362.385 4.058 5 1 FIBF O=[N+]([O-])c1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Cl 587048553 XHJHIHCMMNCNTI-DUXPYHPUSA-N 369.690 4.055 5 1 FIBF Cc1cc(C)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587265144 OJXJMPLDGZHDJN-NSHDSACASA-N 355.354 4.169 5 1 FIBF O=Cc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc([N+](=O)[O-])c1O 962658213 CJJJNTXATCMQEO-NRFANRHFSA-N 374.396 4.015 5 1 FIBF COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1C 587269536 PTQFGLGEVMSGRK-UHFFFAOYSA-N 352.394 4.055 5 1 FIBF Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 587648290 BIDNFVRMRDGAHP-UHFFFAOYSA-N 361.401 4.434 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587160654 YJRIZCAATUBYDR-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506343 RPSZLSXMQQVISM-FQEVSTJZSA-N 355.365 4.493 5 1 FIBF Cc1cc2oc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c2cc1C 101963035 SIDMMKXHVPHVOG-KRWDZBQOSA-N 350.462 4.459 5 3 FIBF O=[N+]([O-])c1cc(-c2nc3cc4ccccc4cc3[nH]2)nn1CC(F)(F)F 587092512 QJVOMBWQUBGMGU-UHFFFAOYSA-N 361.283 4.050 5 1 FIBF Cc1c(Cl)c(O)c(Cl)c2oc3c(Cl)c(O)cc(O)c3c(=O)c12 14769909 FQWPRMRWVYNNSY-UHFFFAOYSA-N 361.564 4.332 5 1 FIBF biogenic COc1cc2c(C=O)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40421937 MSUYJDQTMWIXRI-UHFFFAOYSA-N 361.353 4.100 5 1 FIBF Cc1cnc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587514425 XUJBJYRGINHTPG-FQEVSTJZSA-N 352.390 4.058 5 1 FIBF COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)C=CC(C)(C)O2 167231693 AKTHOZHCUSIEIO-UHFFFAOYSA-N 372.424 4.433 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC)c([N+](=O)[O-])c1)CC2=O 587472871 NULGJDWFHDTXAH-FQEVSTJZSA-N 370.405 4.175 5 1 FIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2)N1 587750276 HGWIVUDYLMATFC-ABKXIKBNSA-N 365.202 4.120 5 1 FIBF C[C@@H](Nc1cc(Br)cc2[nH]ncc12)c1ccc([N+](=O)[O-])cc1 1857547255 ASVJOZUKJNEGKO-SECBINFHSA-N 361.199 4.407 5 1 FIBF O=C1c2c(O)cccc2C(=Cc2ccc([N+](=O)[O-])cc2)c2cccc(O)c21 1541433 ITRWJABLTBZJPV-UHFFFAOYSA-N 359.337 4.139 5 1 FIBF CCCSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820537 XZEOYGBFSHEEHE-CQSZACIVSA-N 362.373 4.446 5 1 FIBF O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c([N+](=O)[O-])c1 49087859 USBJBJDGBMVBQK-UHFFFAOYSA-N 352.228 4.065 5 1 FIBF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356843238 CLIJCVAPWXFAEX-JZXOWHBKSA-N 371.437 4.034 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2)N1 587747490 ONQYLYZGHNJVOS-FVMDXXJSSA-N 365.202 4.120 5 1 FIBF Cc1cccc(-c2nc(Nc3ccncc3)c3ccc([N+](=O)[O-])cc3n2)n1 45228935 UWTUXEGUHHGIFI-UHFFFAOYSA-N 358.361 4.047 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(Br)cc1 587644210 PZCFXHDEZXWQDI-UHFFFAOYSA-N 374.194 4.399 5 1 FIBF O[C@H]1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc21 586904923 WRUZZXDUOKTROT-SJORKVTESA-N 352.397 4.228 5 1 FIBF O=[N+]([O-])c1cncc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587077347 VHJRBZYMJQMAKD-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF Cc1ccc2[nH]cc(CNCc3cc(-c4ccc([N+](=O)[O-])cc4)no3)c2c1 653716335 JVUKEAAZRCDVAE-UHFFFAOYSA-N 362.389 4.329 5 1 FIBF CC(C)(C)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269502 PDFLJRRTHICKOC-UHFFFAOYSA-N 353.378 4.160 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc([N+](=O)[O-])c1F)CC2=O 587465976 ILVVIBFJUJXXJC-LJQANCHMSA-N 359.353 4.273 5 1 FIBF CCN(CC)CCn1nc2c3c(O)cccc3sc3c(N)ccc1c32 29332040 DOFNHBIZJHBMJZ-UHFFFAOYSA-N 354.479 4.034 5 1 FIBF CCc1cnc(-c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174928 ITYLCPLWWSBLIF-UHFFFAOYSA-N 369.450 4.194 5 1 FIBF Nc1ccc2oc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2c1 587252005 QDUFEDVWJUWGMV-UHFFFAOYSA-N 373.166 4.229 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 587383664 ZLAIUHGBCFTUSA-HNNXBMFYSA-N 366.295 4.211 5 1 FIBF Cc1c(-c2nc3c(Cl)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979924 KUBGKFNMHZIGRZ-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF O=[N+]([O-])c1cc(CSc2nnc(C3CCCCC3)o2)cc([N+](=O)[O-])c1 653846489 AJIJHFUTPZTDLS-UHFFFAOYSA-N 364.383 4.226 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])O2 587389957 OGJUNCSMKSKFAB-XCLFUZPHSA-N 354.406 4.088 5 1 FIBF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512363 XBKJAUPCCWWZKT-HXUWFJFHSA-N 366.417 4.246 5 1 FIBF CC(C)(C)[C@@H]1CCN2CCC[C@@](c3ccc([N+](=O)[O-])cc3)(C1)C21OCCO1 95600791 FJZNBMNHPKNAKF-XLIONFOSSA-N 374.481 4.085 5 3 FIBF Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cs2)o1 587017530 XUDTXFGYPBPVRQ-UHFFFAOYSA-N 371.334 4.071 5 1 FIBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1C(=O)c1ccccc1 653692058 SAEWYSGRUDVHCF-UHFFFAOYSA-N 350.161 4.248 5 1 FIBF Cc1cccc(C)c1NC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1 61852916 JHUKETOFMVFIPC-HXUWFJFHSA-N 367.449 4.377 5 3 FIBF Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)c1cccc(Cl)c1 28466320 FMJXLZHQDVERHZ-LJQANCHMSA-N 370.840 4.132 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)ccc1[N+](=O)[O-])CC2=O 587473177 QROWGFBVNAKSSZ-HXUWFJFHSA-N 355.390 4.442 5 1 FIBF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646306 ZZINOOVHIYKAKU-UHFFFAOYSA-N 356.353 4.378 5 1 FIBF O=C(c1ccc(OC(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280448 XFZGXRIOIPRROI-UHFFFAOYSA-N 351.236 4.471 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])O2 587389955 OGJUNCSMKSKFAB-RNODOKPDSA-N 354.406 4.088 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c([N+](=O)[O-])c1)CC2=O 587472896 ODMGHOLZVKRLIS-LJQANCHMSA-N 371.389 4.358 5 1 FIBF Cc1cccc(NC(=O)[C@H](c2cccc([N+](=O)[O-])c2)N2CCCCC2)c1 59878592 YWUBOARTQGPBMA-IBGZPJMESA-N 353.422 4.069 5 3 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587261785 HXIQGIJTFZXQIA-UHFFFAOYSA-N 367.192 4.103 5 1 FIBF Cc1nc(C(F)(F)F)ccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280163 MBBVEZDMLZRIRM-UHFFFAOYSA-N 350.252 4.294 5 1 FIBF Cc1c(-c2nc3cncc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979968 LKRZLEONULPDQE-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF C[N+]1(C)[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 13800801 PMRBOYKMMQCEQZ-BDTNDASRSA-N 352.498 4.381 5 1 FIBF CC(=O)Nc1cccc(OCc2cc(=O)oc3c2ccc2ccccc23)c1 103223458 WALXVAPAWJZWGX-UHFFFAOYSA-N 359.381 4.484 5 1 FIBF O=[N+]([O-])c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039847 GELXJQFQIUPMTF-HOCLYGCPSA-N 374.853 4.071 5 1 FIBF NCCCNc1nc2ccccc2c2c(=O)c3cc(Cl)ccc3sc12 2382249486 GSRPDUXCCJOQFW-UHFFFAOYSA-N 369.877 4.377 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cccc(F)c1 13473024 DVHCHOPACQEAAQ-IBGZPJMESA-N 355.369 4.045 5 1 FIBF COc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73170050 OELDDGCIHZXELA-UHFFFAOYSA-N 368.400 4.320 5 1 FIBF COc1ccc(C[C@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC 587927741 XOBFIYIBZCSPRY-LBPRGKRZSA-N 355.394 4.143 5 1 FIBF CC(=O)N=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 377819861 CEZUNDNFXMLCHL-UHFFFAOYSA-N 353.425 4.375 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1cccs1)c1ccccc1F 28461409 NLSRFGYPXOVVJS-QGZVFWFLSA-N 361.398 4.107 5 1 FIBF O=C(c1cccc(Br)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280085 INEAZMCRGPBFBW-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF O=C1c2ccccc2-c2cc(-c3ncccc3[N+](=O)[O-])nc3cccc1c23 587103830 BJKIYHUFOGZCRW-UHFFFAOYSA-N 353.337 4.416 5 1 FIBF CNC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc12 73159433 AKOHJQLWPFONMJ-UHFFFAOYSA-N 364.355 4.164 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586896041 HFGPDBCBWLXJSL-UHFFFAOYSA-N 374.194 4.019 5 1 FIBF O=c1oc2ccc(F)cc2c2oc3ccc4c(c3c12)CN(CC1CC1)CO4 1772642220 AJNCVUMXSOFJBJ-UHFFFAOYSA-N 365.360 4.393 5 1 FIBF O=c1c2cc3cc(Cl)ccc3nc2ncn1CCc1c[nH]c2ccccc12 203467140 DXYNIWVCHLNBON-UHFFFAOYSA-N 374.831 4.322 5 3 FIBF CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@H]1c1ccc([N+](=O)[O-])cc1 103273651 RCOKJAZMFNEIAG-NRFANRHFSA-N 374.400 4.149 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587270359 MXYJYYQCZFKPAL-UHFFFAOYSA-N 369.743 4.388 5 1 FIBF CNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 27713101 CGXDXLRMONRLNX-UHFFFAOYSA-N 361.401 4.485 5 1 FIBF COc1cc(C)nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc12 45192071 PQZKLCFLSWMWAW-UHFFFAOYSA-N 352.350 4.104 5 1 FIBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587137755 JOBSMXZCIZHBME-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587160120 ICDXOCHBKIQZKU-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF COCCOc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1[N+](=O)[O-] 587266426 XGVIKNLMGLARSB-UHFFFAOYSA-N 363.373 4.317 5 1 FIBF CC(=Cc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)cc1)[N+](=O)[O-] 2356817612 NBHFWRNCEIAFNZ-UHFFFAOYSA-N 372.768 4.284 5 1 FIBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(O)cc1 653700463 AZZMVIJAJIPIOO-UHFFFAOYSA-N 352.177 4.314 5 1 FIBF COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1cc3[n+](cc21)CCC3 13360266 SLUPUHLVPJEPNB-UHFFFAOYSA-N 360.433 4.406 5 1 FIBF Cc1cc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1[N+](=O)[O-] 587076602 NAABHJLCQKVBRF-MRXNPFEDSA-N 356.769 4.050 5 1 FIBF O=C(O)c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1F 587265834 UDMTVCNDLMHZSD-UHFFFAOYSA-N 367.292 4.235 5 1 FIBF CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644744 MECCYEFXAHDTKB-UHFFFAOYSA-N 372.764 4.142 5 1 FIBF COc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC 587926650 MRSNBSMNLRTKNQ-UHFFFAOYSA-N 370.412 4.267 5 1 FIBF C[N+](C)(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C1CCOCC1 40602465 YMOCOYGVVKIARV-UHFFFAOYSA-O 373.904 4.348 5 1 FIBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587509862 JYVQMDIPTCTQSM-IBGZPJMESA-N 353.374 4.189 5 1 FIBF C[C@H](C(=O)O)N(Cc1ccccc1Cl)Sc1ccccc1[N+](=O)[O-] 10450440 WUQGYUNVZLSGSJ-LLVKDONJSA-N 366.826 4.231 5 1 FIBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2 586887564 UYGJGJQAXIDYGQ-IHRRRGAJSA-N 354.413 4.298 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(C)cc1F)CC2=O 587464880 CJEIRFWKORPANG-SFHVURJKSA-N 359.353 4.407 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C/Cl 587645140 XFMVJDUEYRLRBH-DHDCSXOGSA-N 368.780 4.495 5 1 FIBF Cc1cccc(N2CCN(CCCSc3ccc([N+](=O)[O-])cc3)CC2)c1 28886924 PYSGOXHCCMBOHI-UHFFFAOYSA-N 371.506 4.208 5 1 FIBF Cc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl 101336035 SKXIILSBSGAJET-QAPCUYQASA-N 373.796 4.326 5 1 FIBF CCN(C)C(=O)Oc1cc([C@@H](C)N(C)C)cc2oc(=O)c3ccccc3c12 220085362 YGXKBTHHWMVNNV-CYBMUJFWSA-N 368.433 4.019 5 1 FIBF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cc([N+](=O)[O-])ccc12 587648694 JVAXWDHKLOFPFT-UHFFFAOYSA-N 359.426 4.499 5 1 FIBF Cc1ccc([N+](=O)[O-])cc1Nc1nccc(Nc2ccc3n[nH]cc3c2)n1 653873801 NCSNRSYGBTWGSG-UHFFFAOYSA-N 361.365 4.057 5 1 FIBF O=[N+]([O-])c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Cl 587127519 ZZQYIGVZCWFDBA-UHFFFAOYSA-N 363.723 4.065 5 1 FIBF O=C1C[C@H](c2c(F)ccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 587509541 ZUBXCUBFRQFMQL-MRXNPFEDSA-N 359.328 4.458 5 1 FIBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc([N+](=O)[O-])ccc1N(C)C 963228168 KVUQKYRMQMLXEH-YCRPNKLZSA-N 353.466 4.407 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc(F)c3[nH]2)c1 587269864 IAZYBNPZOMJPMX-UHFFFAOYSA-N 364.174 4.158 5 1 FIBF O=C(c1ccccc1OC(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587279856 DUKVPOWNHWSMNZ-UHFFFAOYSA-N 351.236 4.471 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc([N+](=O)[O-])cc21 587388800 GOVVVPATPUTBTB-JOCHJYFZSA-N 372.380 4.375 5 1 FIBF COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cccc([N+](=O)[O-])c1 587631650 SDCLLCLWRCNVNS-UHFFFAOYSA-N 362.744 4.251 5 1 FIBF O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 40861469 XWYXCJGRMKPVQF-DOMZBBRYSA-N 369.343 4.448 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2)N1 587750279 HGWIVUDYLMATFC-XXFAHNHDSA-N 365.202 4.120 5 1 FIBF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587951698 IWJYGTQMGFNLSJ-GDLVEWKHSA-N 362.386 4.426 5 1 FIBF CO[C@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)ccc3c21 64526982 ATBXPCOFDWGOCJ-OAQYLSRUSA-N 357.369 4.050 5 1 FIBF biogenic CC(C)Nc1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43 95594596 CWXANDBCNUZYRJ-UHFFFAOYSA-N 363.486 4.102 5 1 FIBF Cc1ccc2c3c(cc(-c4c([N+](=O)[O-])cnn4C)nc13)-c1ccccc1C2=O 587098708 SUUGLPZLPNINPK-UHFFFAOYSA-N 370.368 4.063 5 1 FIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc([N+](=O)[O-])c2)N1 587845629 FBHLBBVGTSURAH-NXSYQRQQSA-N 371.231 4.182 5 1 FIBF C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 71335106 XJQLVERVBPRFET-UEUGHCDMSA-N 357.499 4.130 5 1 FIBF CCc1c(C)nc(Cl)c([N+](=O)[O-])c1[S@@](=O)c1cc(C)cc(C)c1 6425328 QNFLCCUNSGWLSH-HSZRJFAPSA-N 352.843 4.298 5 1 FIBF O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@@H](c3ccccc3)N(C3CCCCC3)C2)cc1 28949212 MZDRZLOCCBWCFP-NRFANRHFSA-N 365.433 4.241 5 1 FIBF O=[N+]([O-])c1cnc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587083793 LYERGBBDUFYRJZ-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)O2 587375339 LDLRJDRYZZEDOJ-ZDUSSCGKSA-N 367.188 4.499 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 587269200 IHNAHAJMAODSJX-UHFFFAOYSA-N 361.317 4.108 5 1 FIBF COc1cc2cc(C=O)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 45498020 ZRZOMHAWWMWFCO-UHFFFAOYSA-N 361.353 4.100 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2[N+](=O)[O-])N1 587748197 SPQPUWJZEZTPNT-XXFAHNHDSA-N 365.202 4.120 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 587158336 CPGBLOHZMKSVBV-UHFFFAOYSA-N 356.140 4.496 5 1 FIBF CCOC(=O)c1ccc(NC(=O)c2cccc3c([N+](=O)[O-])cccc23)cc1 621476514 NELXMAMZZBGUNO-UHFFFAOYSA-N 364.357 4.177 5 1 FIBF O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])c3c([N+](=O)[O-])cccc23)c1 2382234361 DEBLYSMOATYNAJ-UHFFFAOYSA-N 353.290 4.098 5 1 FIBF O=C(Cn1nc(C2CC2)cc1C(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280193 NDFRQCPYGBIVSE-UHFFFAOYSA-N 361.304 4.235 5 1 FIBF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587421718 WVCWYAWMRPYCAE-LIRRHRJNSA-N 373.792 4.006 5 1 FIBF COC(=O)/C=C(/C(=O)OC)c1cc2ccc3c([nH]c4ccccc43)c(C)c-2c1 6019525 LNVNVXHHXKQRJY-XDHOZWIPSA-N 373.408 4.464 5 1 FIBF CC(C)c1nn(C)c2c1[C@@H](c1c3ccccc3nc3ccccc13)NCC2 962919641 QCNRCJZOXNSBMR-HSZRJFAPSA-N 356.473 4.480 5 1 FIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])s1 587609062 BHGMSBFSWKWBJI-YJBOKZPZSA-N 369.354 4.065 5 1 FIBF Cc1cc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1Br 586975310 AHOPFWKFRWSGBE-UHFFFAOYSA-N 360.211 4.441 5 1 FIBF O=[N+]([O-])c1cccc2c(Oc3cccc(Br)c3)cc(O)nc12 299856811 CERXBSPVLSQMFB-UHFFFAOYSA-N 361.151 4.403 5 1 FIBF O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@H](c3ccccc3)N(c3ccccc3)C2)cc1 101119562 YEUOXRJXMXGEDP-OAQYLSRUSA-N 359.385 4.113 5 1 FIBF COc1cc2c3c(c4ccc(F)cc4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3 66259227 KWEFUARKIHCTFT-PGRDOPGGSA-N 367.420 4.161 5 1 FIBF CC1(C)C=Cc2c(cc3oc4oc5cc(O)ccc5c4c(=O)c3c2O)O1 85999600 KMXXMLCKSKZOPT-UHFFFAOYSA-N 350.326 4.288 5 1 FIBF biogenic Fc1cncc(Cl)c1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587175588 FPZYWZIHSVLVHH-UHFFFAOYSA-N 363.783 4.438 5 1 FIBF O=[N+]([O-])c1ccc2c3c1oc1ccccc1c3nn2CCN1CCCCC1 28527883 YOFGSKSHWQVMCZ-UHFFFAOYSA-N 364.405 4.330 5 1 FIBF COc1cccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)c1 96270211 HILBXRGUWHTHDT-UHFFFAOYSA-N 369.446 4.262 5 1 FIBF CCCOc1c([N+](=O)[O-])c(N(CC)Cc2ccc(Cl)nc2)n(C)c1C 103181801 VASLLEFBDWAETA-UHFFFAOYSA-N 366.849 4.105 5 1 FIBF O=C1c2ccccc2-c2cc(-c3ncccc3[N+](=O)[O-])nc3ccc(O)c1c23 586987697 QVIIXQFSYPHIPU-UHFFFAOYSA-N 369.336 4.122 5 1 FIBF O=[N+]([O-])c1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)s1 96270198 HTLMWVUYXHRUOF-UHFFFAOYSA-N 357.410 4.393 5 1 FIBF Cc1nc(Br)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587010997 KWQOSAGTSGQKTO-UHFFFAOYSA-N 373.619 4.319 5 1 FIBF O=C1C[C@@H](c2c(F)cc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 587503517 HEMDWEZMFBDIHS-KRWDZBQOSA-N 359.328 4.458 5 1 FIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(F)cnc(Cl)c2[nH]1 587109803 NTNMLLBSYLWDSN-UHFFFAOYSA-N 374.681 4.268 5 1 FIBF Cc1cc(CNCCCCCCNCc2cccc([N+](=O)[O-])c2)ccc1O 45190791 KFRSBEWPBCTJBU-UHFFFAOYSA-N 371.481 4.049 5 1 FIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587158447 FILUFXJIXCRYLA-UHFFFAOYSA-N 357.675 4.121 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(OC(C)C)cc3[nH]2)c1 587262864 ZRJXTECOYYLWRK-UHFFFAOYSA-N 355.394 4.188 5 1 FIBF CC(C)(C)Oc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] 587937664 VAXKMVPLXGQSTR-UHFFFAOYSA-N 355.188 4.031 5 1 FIBF CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 587952550 SZLUHEUETIJVPY-VOMCLLRMSA-N 367.833 4.202 5 1 FIBF COc1cc2cc3c4c(ccn3C)c(OC)c3c(c4c2cc1OC)OCO3 14616201 RBSCDSZMFOSRPC-UHFFFAOYSA-N 365.385 4.239 5 1 FIBF biogenic O=C(O)c1cc(F)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047168 DBEMRDWCDNTGIT-DUXPYHPUSA-N 361.716 4.132 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587269555 FTLGBINJWPCMJD-UHFFFAOYSA-N 351.284 4.155 5 1 FIBF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 587784748 ISEVWFVLRUNRRG-RYUDHWBXSA-N 371.780 4.068 5 1 FIBF O=[N+]([O-])c1cccc2ccc(-c3nc4cc(Br)ccc4[nH]3)nc12 1772620262 KLIIJTXAJJYGDT-UHFFFAOYSA-N 369.178 4.449 5 1 FIBF CCc1cnc(-c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163978 PEXWDNGDZQPCAD-UHFFFAOYSA-N 369.450 4.194 5 1 FIBF Cc1ccc(CCCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1 169337561 QOIQRINIUORSOH-UHFFFAOYSA-N 369.373 4.117 5 1 FIBF O=C(c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133519 RNCYITKMHBATRS-UHFFFAOYSA-N 372.114 4.287 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016800 CCYOQSSGVITKFG-UHFFFAOYSA-N 357.782 4.310 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631874 YGAPAXLJXFYRMD-KRWDZBQOSA-N 364.760 4.267 5 1 FIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1 587749285 DNFQEXNFWFQAMB-FVMDXXJSSA-N 365.202 4.120 5 1 FIBF COc1cc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] 587262541 BZSBRACXPZONRZ-UHFFFAOYSA-N 368.176 4.366 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587266807 AUPUOXUITHQGDM-ZETCQYMHSA-N 373.722 4.258 5 1 FIBF NC(=O)c1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587272162 OQCAFZGPHQWZAV-UHFFFAOYSA-N 374.356 4.029 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc([N+](=O)[O-])c1C)CC2=O 587472567 JZLBETFHQQOXMP-FQEVSTJZSA-N 355.390 4.442 5 1 FIBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648804 HTWMUBOJWCYTRT-UHFFFAOYSA-N 364.810 4.108 5 1 FIBF O=[N+]([O-])c1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(O)cc2O)cc1 1857591817 QZGOOYCELFIZME-UHFFFAOYSA-N 365.267 4.082 5 1 FIBF Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)ccc1[N+](=O)[O-] 5277085 YDZGHCPRRVQJOT-UHFFFAOYSA-N 365.345 4.001 5 3 FIBF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265205 PRWTYMBSRBQVNL-KRWDZBQOSA-N 363.333 4.122 5 1 FIBF c1ccc2nc3cc4[nH]c(-c5csc6c5CCOC6)nc4cc3nc2c1 587031672 KMSCNRWJRKONKG-UHFFFAOYSA-N 358.426 4.461 5 1 FIBF O=C1CCc2cc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc2N1 587051163 YIEFWGLFFALRMJ-DJWKRKHSSA-N 368.780 4.180 5 1 FIBF O=C1C[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587510526 LBOZWJYVRGNYDZ-GOSISDBHSA-N 368.345 4.088 5 1 FIBF Cc1cc(=O)oc2cc3oc4ccccc4c3c(OCCCN(C)C)c12 27518565 ORHBUKGZSVMTJC-UHFFFAOYSA-N 351.402 4.331 5 1 FIBF CONC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12 73222529 MINAHFRFXCSCNY-UHFFFAOYSA-N 363.804 4.395 5 1 FIBF COc1ccc([C@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82162314 HZAXZDOCGZUONX-ZDUSSCGKSA-N 350.378 4.234 5 1 FIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)nc3[nH]2)c1F 587139908 SIVMACDJMFWOOC-UHFFFAOYSA-N 371.553 4.088 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587160459 SMISZAOZHHCEEC-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF O=C(c1cc2oc3c4ccccc4oc(=O)c3c2cc1O)N1CCCCC1 1857550147 HPIVOOFCJOVEMB-UHFFFAOYSA-N 363.369 4.024 5 1 FIBF COc1cccc2cc(-c3cc[n+](Cc4ccc([N+](=O)[O-])cc4)cc3)oc12 299844762 YTOXGEJTPNJOCN-UHFFFAOYSA-N 361.377 4.352 5 1 FIBF COCCNc1ccc(-c2nc3cc(Cl)cc(C)c3[nH]2)cc1[N+](=O)[O-] 587261487 CGHOHBRMXZVBGZ-UHFFFAOYSA-N 360.801 4.158 5 1 FIBF COc1cncc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587271568 GJCAPKFCTYDGAH-UHFFFAOYSA-N 362.345 4.334 5 1 FIBF CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1 95579150 JBPBJYKHTQKMKP-UHFFFAOYSA-N 353.441 4.423 5 1 FIBF Cc1c2c[n+](CCCCCN)ccc2c(C)c2c1c1cc(O)ccc1n2C 169349739 OQOSLQAYBFJBAY-UHFFFAOYSA-O 362.497 4.224 5 1 FIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 587270316 LXTYCEYXEGCXMO-UHFFFAOYSA-N 351.753 4.249 5 1 FIBF COc1cc(C)ccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587925892 SNIKEVIIKDIALI-UHFFFAOYSA-N 362.183 4.218 5 1 FIBF Fc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c1 73159952 AZWJVNNXHBOAKD-UHFFFAOYSA-N 356.364 4.451 5 1 FIBF Cc1cc2c(Br)ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2o1 587004480 UTFMXEOBVYJAPY-UHFFFAOYSA-N 373.166 4.350 5 1 FIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)cc1 587271491 CYIVZDADIFDFRY-UHFFFAOYSA-N 361.357 4.423 5 1 FIBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N@@+]4(C)O3)[C@@H]12 261183689 WRWFIBSHOMVGDI-GQSOSMBKSA-N 360.518 4.002 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)ccc1[N+](=O)[O-])CC2=O 587473175 QROWGFBVNAKSSZ-FQEVSTJZSA-N 355.390 4.442 5 1 FIBF CNc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508952 HHQMHTVVMDDCEV-LJQANCHMSA-N 352.390 4.222 5 1 FIBF O=[N+]([O-])c1cc(Br)cc(-c2cc3c4c(cccc4n2)CC3)c1O 587207630 HWXQAOCPPYUEBJ-UHFFFAOYSA-N 371.190 4.377 5 1 FIBF CCC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)NCCc2c(C(=O)O)cccc21 963129926 HAJOJMBPJSMMJU-LJQANCHMSA-N 374.824 4.136 5 1 FIBF O=c1c2ccc3ccccc3c2oc(=S)n1-c1ccccc1[N+](=O)[O-] 169323644 DLTVPEBWXPPWIN-UHFFFAOYSA-N 350.355 4.375 5 1 FIBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)N(CC)CC)ccc21 169326769 RIMHKRSHSOXBDZ-UHFFFAOYSA-N 350.462 4.437 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587261726 HJBAEYMKZRUIEZ-UHFFFAOYSA-N 365.311 4.420 5 1 FIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587274997 YYWDKWBJKKLFJY-QMMMGPOBSA-N 371.344 4.083 5 1 FIBF Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587648317 CIAQUSWYCWNKMJ-UHFFFAOYSA-N 361.401 4.434 5 1 FIBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3ccc([N+](=O)[O-])cc3)nc12 1857752855 TTYSVWBYECARHS-UHFFFAOYSA-N 374.308 4.368 5 1 FIBF CN(C)CCCNC(=O)c1cc2c3ccccc3sc2c2cccnc12 96921323 BVNHHOKJLFLSLG-UHFFFAOYSA-N 363.486 4.284 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012130 GRDWCZMSUBOWMJ-UHFFFAOYSA-N 365.212 4.235 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587644880 PPMDYEXAUKRTDS-UHFFFAOYSA-N 374.740 4.198 5 1 FIBF CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 587952549 SZLUHEUETIJVPY-UNXYVOJBSA-N 367.833 4.202 5 1 FIBF CC[C@@]1(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587961590 SEJSCERMJMVTKR-FQEVSTJZSA-N 367.380 4.378 5 1 FIBF Cc1cc(N(C)Cc2nc3ccc4ncccc4c3[nH]2)c([N+](=O)[O-])cc1F 587136050 ATSFJUVWZQLSII-UHFFFAOYSA-N 365.368 4.103 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1OCC)CC2=O 587473338 SDNFCBKHDBIJJV-LJQANCHMSA-N 371.389 4.358 5 1 FIBF CCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12 1763696 LXVKVNMUGPSBSD-UHFFFAOYSA-N 358.873 4.199 5 1 FIBF CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174685 AYJPLEUEEUYUNQ-NSHDSACASA-N 353.382 4.226 5 1 FIBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587157779 GKZQOZMCZOHLGA-UHFFFAOYSA-N 362.320 4.152 5 1 FIBF Cc1ccc(C)c(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587958803 KAPLPCVVNPDQFF-UHFFFAOYSA-N 360.211 4.441 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897115 RFZTXOAFLXIFBV-UHFFFAOYSA-N 374.194 4.019 5 1 FIBF Fc1cccc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)n[nH]c12 587176460 LDPQQJWYOICDKC-UHFFFAOYSA-N 354.348 4.342 5 1 FIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587266842 BIKVYJAQBGPCPU-UHFFFAOYSA-N 354.197 4.146 5 1 FIBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587411301 ZEWQUGCRVZVFCR-INIZCTEOSA-N 358.419 4.304 5 1 FIBF CCCc1c(O)ccc2c1O[C@]1(CCc3c([N+](=O)[O-])cccc31)CC2=O 587470855 MQOVRCFHMXLDGS-HXUWFJFHSA-N 353.374 4.060 5 1 FIBF O=[N+]([O-])c1cc(-c2n[nH]c(O)c2C2=NCCCCC2)c(Cl)cc1Cl 103544406 CSSNJXYRBGTQNY-UHFFFAOYSA-N 369.208 4.360 5 1 FIBF COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Br)c3[nH]c21 473090821 ARYGGCNDASPYNG-UHFFFAOYSA-N 371.190 4.339 5 1 FIBF Nc1nc2oc3ccc(/C=C/C4CCCCC4)cc3c(=O)c2cc1C(=O)O 1857766980 MIFSMGYHBAGPNQ-VOTSOKGWSA-N 364.401 4.215 5 1 FIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2[N+](=O)[O-])N1 587748195 SPQPUWJZEZTPNT-FVMDXXJSSA-N 365.202 4.120 5 1 FIBF Cc1c(C(F)(F)F)cc2nc(C(=O)N3CCCCC3)sc2c1[N+](=O)[O-] 653781805 XBQYENKGTHMBQN-UHFFFAOYSA-N 373.356 4.158 5 1 FIBF C[N+](C)(C)C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1COC(=O)Nc1ccc(Cl)cc1 169336787 NNPUZNSEENZRQO-ZZCKCESHSA-O 351.898 4.257 5 1 FIBF COc1cc2ncc3c(N)nc4c(C)c(Cl)ccc4c3c2cc1OC 14969829 PSULVKQFCKZYMW-UHFFFAOYSA-N 353.809 4.497 5 1 FIBF CCN1CCC[C@@H](N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1 27862537 ZVOCFJKXQQVICP-QGZVFWFLSA-N 358.441 4.073 5 1 FIBF Cc1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1[N+](=O)[O-] 587076598 NAABHJLCQKVBRF-INIZCTEOSA-N 356.769 4.050 5 1 FIBF COc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1OC 587264584 IKYLNDPRFZAKEH-UHFFFAOYSA-N 365.345 4.415 5 1 FIBF O[C@H]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H](O)[C@H]1O 95920910 HWQNIRBJKZENJU-IGKWTDBASA-N 354.405 4.049 5 1 FIBF in-vitro CCOc1n[nH]c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Cl 587065540 TUPBSIKWSHYMBJ-UHFFFAOYSA-N 364.796 4.102 5 1 FIBF O=C(Cc1ccc(Cl)cc1)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587070855 IEYHDZDWOPLFCH-UHFFFAOYSA-N 350.161 4.203 5 1 FIBF CS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2-c2ccccc2)cc1 28004257 PTYYUSDZLQZLIZ-UHFFFAOYSA-N 353.399 4.332 5 1 FIBF CC1(C)CCOc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc21 1857767793 TVHGDOJSSRRKCE-UHFFFAOYSA-N 357.435 4.464 5 1 FIBF O=C(CCc1ccccc1)c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587953046 FERJRKIVRXAIJO-UHFFFAOYSA-N 374.194 4.049 5 1 FIBF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc([N+](=O)[O-])cc1 13740356 PHISTALAMDWUTJ-OREJSRFESA-N 352.434 4.025 5 1 FIBF CN(C)CCc1ccc2nc3c4ccccc4n(CCN(C)C)c3cc2c1 26173511 GKUZEDXGDACXNS-UHFFFAOYSA-N 360.505 4.008 5 1 FIBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NC(=O)C1CCCCC1 224878679 XLMBIGKMXAKTMS-UHFFFAOYSA-N 367.405 4.366 5 1 FIBF CCOC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048328 SMSDPVJKLKFCBK-XBXARRHUSA-N 371.780 4.472 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc([N+](=O)[O-])c1 587612056 INCRMSDCXCYFMX-CRAIPNDOSA-N 369.354 4.065 5 1 FIBF COc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c1 587645380 SSCYFQMPVICGRO-UHFFFAOYSA-N 364.279 4.497 5 1 FIBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c5cccnc5c5ncccc5c4[nH]1)(C3)C2 587968842 GNDVGIHWTBMHIQ-OKVBKTCRSA-N 368.440 4.306 5 1 FIBF C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 1911575016 OYSTUJDZKCGRKD-XUGLNINTSA-O 355.433 4.280 5 1 FIBF Cc1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587093052 JVROBDMQWSHKSE-UHFFFAOYSA-N 368.340 4.496 5 1 FIBF CCc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCOCC2)cc1 587648784 LFDYOBVURSPRNB-UHFFFAOYSA-N 351.406 4.142 5 1 FIBF O=[N+]([O-])c1ccc(C[C@H](c2cccc3ccccc23)P(=O)(O)O)cc1 29482400 UXRRYYZGHRGLDM-GOSISDBHSA-N 357.302 4.210 5 1 FIBF O=[N+]([O-])c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033048 PYJQOLHYZFOIPW-UHFFFAOYSA-N 350.403 4.479 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587267530 MHOAXDLBPTYDSB-MRVPVSSYSA-N 371.344 4.197 5 1 FIBF COc1cc2c3c(c1)O[C@@H](c1cccc4nc5ccccc5nc14)[C@@H](C2)C3=O 587437401 ZKZSCMKLLPSGCJ-WNSKOXEYSA-N 368.392 4.280 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006411 NDQAZACYRPMUEA-UHFFFAOYSA-N 357.167 4.153 5 1 FIBF COc1cc2c3c(c1)O[C@@](C)(c1cc4cc([N+](=O)[O-])ccc4o1)[C@@H](C2)C3=O 587431853 HOPUSHAQOGNQNM-VBKZILBWSA-N 365.341 4.012 5 1 FIBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc([N+](=O)[O-])c1 587862605 FFXOFFJXQBHHJK-UHFFFAOYSA-N 363.295 4.475 5 1 FIBF O=C(OCCCCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 13524822 VUOQGPFKDQLJRF-UHFFFAOYSA-N 367.405 4.362 5 1 FIBF Oc1cc(O)nc(SCc2nc3c4ccccc4c4ccccc4c3[nH]2)n1 586966588 KAGOBDXPHCRMNT-UHFFFAOYSA-N 374.425 4.363 5 1 FIBF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587421716 WVCWYAWMRPYCAE-IFXJQAMLSA-N 373.792 4.006 5 1 FIBF CC1(C)CC=C(c2ccc3oc4nc(N)c(C(=O)O)cc4c(=O)c3c2)CC1 1857773718 BRZUICWEJOOXOW-UHFFFAOYSA-N 364.401 4.215 5 1 FIBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083098 GEUGUOQITWMGCC-UHFFFAOYSA-N 360.160 4.388 5 1 FIBF O=C(c1ccc(Br)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280190 NBYVNRWDSPBWQO-UHFFFAOYSA-N 364.126 4.474 5 1 FIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C\Cl 587644384 AHUSUEQWEUINMG-CXUHLZMHSA-N 368.780 4.495 5 1 FIBF O=[N+]([O-])c1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(F)c1 963000809 XEZVTDCCISUJIH-LJQANCHMSA-N 369.421 4.338 5 1 FIBF O[C@@H]1Cc2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@@H](O)[C@@H]1O 98208239 HWQNIRBJKZENJU-CTUHWIOQSA-N 354.405 4.049 5 1 FIBF in-vitro O=C(O)c1cc(=O)c2c(ccc3sc4ccc(Br)cc4c32)[nH]1 169319944 NBWNBOUGESEIKB-UHFFFAOYSA-N 374.215 4.357 5 1 FIBF O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Cl 587079973 JFDZWUJLLGZAOE-CQSZACIVSA-N 350.161 4.454 5 1 FIBF CC[C@@H](C)OC(=O)c1c(C)nc(SC)nc1-c1cccc([N+](=O)[O-])c1 29325437 FISOFZOSQICWQY-SNVBAGLBSA-N 361.423 4.037 5 1 FIBF COc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260857 JESJWKZBSHZWIY-UHFFFAOYSA-N 355.394 4.453 5 1 FIBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587264499 GYPGXKZGXKSQJS-UHFFFAOYSA-N 350.290 4.306 5 1 FIBF O=C1C[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 587511572 HTPRTTVCFMSSMM-SFHVURJKSA-N 363.373 4.056 5 1 FIBF O=C1C[C@@](CC[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1 587507960 DVPALIACEBTGJQ-NRFANRHFSA-N 351.402 4.093 5 1 FIBF O=[N+]([O-])c1ccc(C2=[N+]([O-])[C@@H](c3ccccc3)N(c3ccccc3)C2)cc1 28949206 YEUOXRJXMXGEDP-NRFANRHFSA-N 359.385 4.113 5 1 FIBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587160086 FZGRWAKMODJSLN-UHFFFAOYSA-N 354.110 4.179 5 1 FIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Cl)c2[nH]1 587265456 FFOCBEXJYMLWOQ-QMMMGPOBSA-N 361.745 4.206 5 1 FIBF COc1ccc(C=O)c2cc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)oc12 586903653 KQQIHDUUWIUNOV-UHFFFAOYSA-N 351.318 4.014 5 1 FIBF O=c1ccc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)ccc2o1 586917021 BTCWSTLYGZMTHK-UHFFFAOYSA-N 364.364 4.433 5 1 FIBF CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 587647441 INDBHEBIZVYNTC-UHFFFAOYSA-N 368.349 4.360 5 1 FIBF O=[N+]([O-])c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029128 IINTXUVXANHFQP-UHFFFAOYSA-N 352.375 4.174 5 1 FIBF O=C(NCc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2382253446 FVSJEAZPDZGNJT-UHFFFAOYSA-N 362.798 4.180 5 1 FIBF COC(=O)c1cccc2nc3cc(C(=O)CCc4ccccc4)ccc3nc12 103221367 XRKPIEUXYYAJIA-UHFFFAOYSA-N 370.408 4.385 5 1 FIBF O=C1C[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587510527 LBOZWJYVRGNYDZ-SFHVURJKSA-N 368.345 4.088 5 1 FIBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587159364 ZZYZFVMINRVNNF-UHFFFAOYSA-N 362.320 4.152 5 1 FIBF COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1OC 587048381 UTGHAPCBFJEQTN-GQCTYLIASA-N 359.769 4.312 5 1 FIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C)cc2[nH]1 587262208 GDYIWGIZXGOXRJ-GFCCVEGCSA-N 369.377 4.131 5 1 FIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587262847 YWVRMPQSCXLVQC-UHFFFAOYSA-N 367.192 4.103 5 1 FIBF COc1ccc2c(c1)[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)N(C(C)C)CC2 962093048 PCBMDHLCONPVOK-FQEVSTJZSA-N 358.413 4.273 5 1 FIBF COc1ccc2c(c1OC)[C@@H](c1cc([N+](=O)[O-])cc(C)c1F)N(C)[C@@H](C)C2 962640445 WIDVJDPREJBTDQ-HXPMCKFVSA-N 374.412 4.025 5 1 FIBF CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(N)ccc1c32 29326534 HSZIAGXOQRJDHA-UHFFFAOYSA-N 368.506 4.337 5 1 FIBF COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587787153 KLJHAJOCACPESX-UHFFFAOYSA-N 373.796 4.257 5 1 FIBF O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cc(F)ccc1Cl 2485261 CJERYBXUXCVKTE-HNNXBMFYSA-N 352.774 4.166 5 1 FIBF CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(N)ccc1c32 29332425 CZVKAVJESYVOQA-UHFFFAOYSA-N 354.479 4.034 5 1 FIBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 587264390 MVJRQTAALNXHEQ-UHFFFAOYSA-N 367.148 4.277 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(F)cc1 5893087 RSDZJEMJVDJEEA-IBGZPJMESA-N 355.369 4.045 5 1 FIBF CCN(CC)CCn1nc2c3ccc(OC)cc3sc3c(N)ccc1c32 29321887 OVJILHNZENTJLB-UHFFFAOYSA-N 368.506 4.337 5 1 FIBF CCc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]c2ccc(Cl)cc12 84688478 SLFLTKOMDDREOZ-UHFFFAOYSA-N 371.824 4.264 5 1 FIBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2 101151989 MMJNDRSEERCWAQ-RTBURBONSA-N 355.458 4.193 5 1 FIBF CCN(CC)CCn1nc2c3ccc(O)cc3sc3c(N)ccc1c32 29327591 UNDZCCKDOLNXCS-UHFFFAOYSA-N 354.479 4.034 5 1 FIBF Cc1ccc2c(c1)[nH]c1c2c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 58575884 NPBUNSLCDPXIQL-UHFFFAOYSA-N 350.349 4.117 5 1 FIBF COc1ccc(Cl)c2c1CCN[C@]2(C)Cc1ccc(C)cc1[N+](=O)[O-] 963256862 GFOCOXGCPIRTSK-LJQANCHMSA-N 360.841 4.169 5 1 FIBF COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587228860 IIRYTXYSJUOWRJ-UHFFFAOYSA-N 374.828 4.486 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587267533 MJONIJIPONSZFQ-SSDOTTSWSA-N 373.722 4.258 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])O2 587388433 BKGUBHIPFZWSPI-YCRPNKLZSA-N 366.417 4.232 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)CC2=O 587468992 ZKYUNBPDCCKYFW-OAHLLOKOSA-N 363.316 4.238 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])cc1C)CC2=O 587473477 VYJLKTOVNDZAFJ-HXUWFJFHSA-N 355.390 4.442 5 1 FIBF Cc1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)CC(C)(C)CC1=N2 104090812 MUJNKMALJIBVBG-INIZCTEOSA-N 352.394 4.476 5 1 FIBF O=[N+]([O-])c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1[N+](=O)[O-] 587080976 WEFKFCBQHXDGNO-UHFFFAOYSA-N 371.740 4.036 5 1 FIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587273079 DAMAHRJMTGYRDU-ZDUSSCGKSA-N 363.377 4.264 5 1 FIBF O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccccc1F 653688504 BYRFLYCOCXEZGG-UHFFFAOYSA-N 350.301 4.010 5 1 FIBF CCCCc1cc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])o2)s1 95596501 FNUFDROIHXHWTK-UHFFFAOYSA-N 366.395 4.021 5 1 FIBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccsc3)[nH]c12 587025383 JNTJHUAJBBESKU-RJRFIUFISA-N 350.197 4.466 5 1 FIBF COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260839 IIXNZPPYYZEGFS-UHFFFAOYSA-N 368.176 4.462 5 1 FIBF CC(C)CCN(CCC(C)C)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 68572320 PLTZILIHBKXVLL-UHFFFAOYSA-N 366.418 4.429 5 1 FIBF biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)c(F)cc2[nH]1 587109874 OZBOPVFEIROXQE-UHFFFAOYSA-N 357.238 4.359 5 1 FIBF O=C1c2nccc(Br)c2-c2nc3ccccc3c3ccnc1c23 26960996 ASOVTXPXTGIJGF-UHFFFAOYSA-N 362.186 4.152 5 1 FIBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(Cl)ccc3c21 13519370 ADQKGRUFGPUORP-UHFFFAOYSA-N 359.772 4.493 5 1 FIBF COc1ccc2c(ccc3c(CCN(C)C)cc(OC)c(OC)c32)c1OC 14826902 LXCVIXTYLPNZMY-UHFFFAOYSA-N 369.461 4.132 5 1 FIBF biogenic O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])cnc3O)nc3cccc1c23 587105162 QURBVFKEXBGWOB-UHFFFAOYSA-N 369.336 4.122 5 1 FIBF CN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc([N+](=O)[O-])cc23)CC1 13452426 XMEYKENMGPBBQT-UHFFFAOYSA-N 351.381 4.397 5 1 FIBF CCCOC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Cl 40428851 UZXZHJHHNVMZHH-UHFFFAOYSA-N 362.769 4.067 5 1 FIBF FC(F)=C(C[C@H]1CCCN1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587089061 XAMDPMLOHGNIJI-LLVKDONJSA-N 365.387 4.409 5 1 FIBF O=c1c2ccc(O)cc2oc2cc(OCCCNC3CCCCC3)ccc12 71317342 STODZTWLSUOBSX-UHFFFAOYSA-N 367.445 4.343 5 1 FIBF O=C(O)/C=C/c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586879928 OIEFVTSOGWKEMN-MDZDMXLPSA-N 366.380 4.424 5 1 FIBF O=[N+]([O-])c1ccccc1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876486 PIFCHUOJWIWWON-UHFFFAOYSA-N 356.338 3.948 5 1 FIBF Cc1nc(COc2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cs1 587020584 VKZVNIMLWSNATH-UHFFFAOYSA-N 366.402 4.482 5 1 FIBF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)C1CCCC1 587227524 ZAISMGZLZJNRHK-OAHLLOKOSA-N 360.414 4.227 5 1 FIBF CC[C@@]1(CSc2ccccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 587407916 CVSKCKRHIQXJCG-IBGZPJMESA-N 372.446 4.392 5 1 FIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1OCC)CC2=O 587473337 SDNFCBKHDBIJJV-IBGZPJMESA-N 371.389 4.358 5 1 FIBF O=Cc1ccc(OCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587566332 HEWYANIKADCPPO-UHFFFAOYSA-N 368.396 4.093 5 1 FIBF O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644735 BLAUHMNXMPLHRJ-UHFFFAOYSA-N 352.243 4.465 5 1 FIBF COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 13906495 OOTHGTPTLCSOEZ-NRFANRHFSA-N 371.392 4.422 5 1 FIBF CN(C)[C@H](c1ccc(F)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587162823 DXJAYWAKNFWKON-OAQYLSRUSA-N 371.419 4.449 5 1 FIBF COc1ccc(/C=C/Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(OC)c1 587928393 BBNVBFYFOQPIHU-SNAWJCMRSA-N 353.378 4.053 5 1 FIBF O=[N+]([O-])c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587081895 IFGCHXSLUBIRFV-UHFFFAOYSA-N 369.768 4.025 5 1 FIBF O=Cc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc([N+](=O)[O-])c1O 962658214 CJJJNTXATCMQEO-OAQYLSRUSA-N 374.396 4.015 5 1 FIBF O=C(Nc1cccc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 1857749299 NKTVGAKEWLHHBE-UHFFFAOYSA-N 367.308 4.476 5 1 FIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cscn3)oc12 2382245477 OSRGUNZTGURBHR-UHFFFAOYSA-N 369.398 4.096 5 1 FIBF CN(C)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1 49807531 LHUKMJPFBJVDEA-UHFFFAOYSA-N 374.444 4.029 5 1 FIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587267534 MJONIJIPONSZFQ-ZETCQYMHSA-N 373.722 4.258 5 1 FIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(CO)cc4[nH]3)c2)cc1 587272194 PKSFGAYBPWCKMR-UHFFFAOYSA-N 361.357 4.423 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2 587390953 STMYEEZZYDFJII-QFIPXVFZSA-N 374.396 4.394 5 1 FIBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 587784746 ISEVWFVLRUNRRG-NEPJUHHUSA-N 371.780 4.068 5 1 FIBF CCN(CC)CCNc1ccc(C)c2sc3cc(O)ccc3c(=O)c12 101248993 QGFRRFQWERJXRI-UHFFFAOYSA-N 356.491 4.182 5 1 FIBF C[C@H](Sc1ncccn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586962893 BWJNZNURYPQYKF-NSHDSACASA-N 358.430 4.303 5 1 FIBF O=[N+]([O-])c1ccc([C@@H](Nc2cccc3ccccc23)P(=O)(O)O)cc1 1857656747 DSAYGXUEIXBXOT-KRWDZBQOSA-N 358.290 4.036 5 1 FIBF CCCSc1ccc2c3c(C(=O)OCC)c(=O)nc-3c3cccc1c32 71281148 HUFATGAKMTWYRY-UHFFFAOYSA-N 351.427 4.407 5 1 FIBF O=C(c1ccc(SCc2ccncc2)c([N+](=O)[O-])c1)N1CCCCCC1 3015281 CMMPZTWGEFYBRI-UHFFFAOYSA-N 371.462 4.298 5 1 FIBF CCCNCCCNCCCNCc1c2ccccc2cc2ccccc12 40863333 NSBFMVGICIETEJ-UHFFFAOYSA-N 363.549 4.452 5 1 FIBF Cc1ccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1N 587249610 CQYSDOXZGUBVMC-UHFFFAOYSA-N 353.429 4.335 5 1 FIBF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 100834253 VNKSUONYUGXCCC-DBXWQHBBSA-N 352.434 4.326 5 1 FIBF COc1cc([N+](=O)[O-])ccc1C[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963118946 ZZNIKIILTYPPRU-QFBILLFUSA-N 356.397 4.047 5 1 FIBF Cc1cn2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc2cn1 64447742 MYCTWESJZDUVJN-UHFFFAOYSA-N 360.373 4.192 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)CC2=O 587469009 ZYTHIEQJESYQQE-QGZVFWFLSA-N 363.316 4.238 5 1 FIBF CC[N+](C)(CC)CCC[C@@H](N=O)C(O)(c1ccccc1)c1ccccc1 169689847 DXPNNUDKHWTZHL-OAQYLSRUSA-N 355.502 4.324 5 1 FIBF O=[N+]([O-])c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1F 587090959 CSVHIFIHZIVKLZ-UHFFFAOYSA-N 372.303 4.327 5 1 FIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)cc1[N+](=O)[O-])CC2=O 587466360 KQNFNWSCIOMGEH-IBGZPJMESA-N 359.353 4.273 5 1 FIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1nc(C(F)(F)F)cc1C1CC1 587645708 BRDJLUWPIULFTA-UHFFFAOYSA-N 350.300 4.466 5 1 FIBF O=C1c2ccoc2CC[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 586906956 HYSSQOOXEYAHLI-GFCCVEGCSA-N 368.396 4.240 5 1 FIBF Cc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cccc1[N+](=O)[O-] 587261085 SJDHAKGGDWRUPX-UHFFFAOYSA-N 367.590 4.257 5 1 FIBF COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646145 VIHFOPNFXLZARF-UHFFFAOYSA-N 356.353 4.378 5 1 FIBF O=C(Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(Cl)c1O 1911572706 HMKZRNKCPCWCRL-UHFFFAOYSA-N 360.675 4.225 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccccc1F 13473018 VRYRHXNOYVTWOA-IBGZPJMESA-N 355.369 4.045 5 1 FIBF NCCCNc1nc2ccc(Br)cc2c2[nH]c3ccccc3c12 169309460 JZOBGJCZWIZWAV-UHFFFAOYSA-N 369.266 4.393 5 1 FIBF C[N+]1(Cc2ccccc2)CCN(c2nc3ccsc3n3cccc23)CC1 13755948 CHXZPUOMGXBHFG-UHFFFAOYSA-N 363.510 4.016 5 1 FIBF O=c1[nH]nc2c3cc(CCC4CCC(O)CC4)ccc3oc3cccc1c32 96167441 JYKZLYMKHVNTEK-UHFFFAOYSA-N 362.429 4.306 5 1 FIBF Nc1nc(N)c2c(CNc3cccc4cc5ccccc5cc34)coc2n1 5975059 DHFXXOXXHAZNIO-UHFFFAOYSA-N 355.401 4.306 5 1 FIBF COc1cnc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Cl 587065067 SFXHYQWUBALXCJ-UHFFFAOYSA-N 361.792 4.383 5 1 FIBF Cc1cc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2cc1[N+](=O)[O-] 587081950 ZQDIOPLHXZYOKH-UHFFFAOYSA-N 358.785 4.034 5 1 FIBF Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cnn1-c1ccc(F)cc1 587279987 FYRHNZVYVQKDAQ-UHFFFAOYSA-N 365.320 4.205 5 1 FIBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnc2cc(Cl)ccc12 84710816 WUPQBMALGAVRFG-FPYGCLRLSA-N 353.765 4.448 5 1 FIBF CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418724 ASJFSNHPFKTWMJ-YJYMSZOUSA-N 373.792 4.310 5 1 FIBF O=c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2n1Cc1ccccc1 1772581988 HEYKLQAFBJWUIR-UHFFFAOYSA-N 357.369 4.020 5 1 FIBF COc1ccc(-c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)c([N+](=O)[O-])c1 2382217993 FOWDUJNRROUCDB-UHFFFAOYSA-N 366.421 4.208 5 1 FIBF COc1cc([N+](=O)[O-])ccc1C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512360 NCIMHJHNWJMHBF-INIZCTEOSA-N 367.401 4.059 5 1 FIBF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(NC(C)=O)c([N+](=O)[O-])c1 963231965 BVLUDPISLBJZHW-SPLOXXLWSA-N 367.449 4.299 5 1 FIBF COc1c(C)cc(OC)c2c(=O)c3c(O)c(Cl)cc(Cl)c3oc12 13451800 FVGAQYQSEIMCEO-UHFFFAOYSA-N 355.173 4.284 5 1 FIBF biogenic CCN(C)C(=O)Oc1cc([C@@H](C)N(C)C)c2c(c1)oc(=O)c1ccccc12 220085542 MHJSTVGCJSASLZ-CYBMUJFWSA-N 368.433 4.019 5 1 FIBF Cc1cc2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2cc1[N+](=O)[O-] 587135728 BYMIPKWIULGJTQ-UHFFFAOYSA-N 358.373 4.345 5 1 FIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O 587473563 XSQRPTCTMJRZAC-HXUWFJFHSA-N 355.390 4.442 5 1 FIBF CN(C)CCCNc1nccc2c1ccc1c3cc4c(cc3cnc21)OCO4 49808161 MSMMPSWDRCNODN-UHFFFAOYSA-N 374.444 4.029 5 1 FIBF Nc1ccc2oc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2c1 587252510 YFQISTMBNPEQBC-UHFFFAOYSA-N 373.166 4.229 5 1 FIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 587268743 CTLSZOPIGSFCCF-UHFFFAOYSA-N 366.160 4.169 5 1 FIBF O=C(c1ccccc1)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270982 ZLAIYXCOGAQIPO-UHFFFAOYSA-N 371.396 4.487 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3c3ncccc13)O2 587396288 YHYWHWNOKZRLRO-LJQANCHMSA-N 355.397 4.380 5 1 FIBF O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587268572 FHHQXUSBRGARMI-UHFFFAOYSA-N 371.706 4.150 5 1 FIBF Cc1ccccc1[C@@H](OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1 13473016 PSALOWAZZFTTCY-FQEVSTJZSA-N 351.406 4.214 5 1 FIBF CCCc1sc(=N)[nH]c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587013691 WYMVLNZJFPGPMW-UHFFFAOYSA-N 360.446 4.148 5 1 FIBF O=C(c1ccc(Br)s1)c1coc2cc([N+](=O)[O-])ccc12 587279868 FKKFBZIWGMYFHZ-UHFFFAOYSA-N 352.165 4.396 5 1 FIBF O[C@H]1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 586904320 TWMSEODVBMNFTM-QKKBWIMNSA-N 352.397 4.228 5 1 FIBF O=[N+]([O-])c1cccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587270651 PMUFOVHUJJBNOX-UHFFFAOYSA-N 369.384 4.353 5 1 FIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])O2 587389958 OGJUNCSMKSKFAB-ZUOKHONESA-N 354.406 4.088 5 1 FIBF COc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645317 PKXCMLFPZJCTMJ-UHFFFAOYSA-N 364.279 4.335 5 1 FIBF CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2cccc([N+](=O)[O-])c12 587646706 IABQSNZJYMYAQS-UHFFFAOYSA-N 361.398 4.317 5 1 FIBF Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1 653887037 ZEPPDPGEWNEHJE-UHFFFAOYSA-N 365.374 4.139 5 1 FIBF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587240922 LJGGASCDXSMRHI-UHFFFAOYSA-N 374.404 4.476 5 1 FIBF CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 3961195 GQYYAONVTHHUJP-UHFFFAOYSA-N 371.440 4.312 5 1 FIBF CC(C)(CC[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1)[N+](=O)[O-] 962713345 RHXORUWOTPTLAZ-SUMWQHHRSA-N 352.475 4.066 5 1 FIBF CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1[N+](=O)[O-] 13451177 PDAQCZLAVLPWKI-UHFFFAOYSA-N 353.378 4.034 5 1 FIBF CCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccccc12 40938991 WUQAUKHUJJAMRF-UHFFFAOYSA-N 358.445 4.312 5 1 FIBF O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587645152 XOGOBZZIYHNVDG-UHFFFAOYSA-N 369.764 4.050 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1cccs1)c1ccccc1F 28461412 NLSRFGYPXOVVJS-KRWDZBQOSA-N 361.398 4.107 5 1 FIBF COc1ccc2nc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)sc2c1 587035429 PYTJNMGEFCMHLM-UHFFFAOYSA-N 360.782 4.410 5 1 FIBF O[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1Cl 587058700 IEPWYQPDNYEONX-LJQANCHMSA-N 360.804 4.394 5 1 FIBF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cn1 587247576 PTIYYPVPHXIKGY-UHFFFAOYSA-N 373.800 4.171 5 1 FIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587274958 XUPJCQFILHPCMF-ZETCQYMHSA-N 373.722 4.144 5 1 FIBF O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1ccc(-c2ccccc2)cc1 96938300 UEHBCXRGXQAAOY-UHFFFAOYSA-N 362.341 4.212 5 1 FIBF COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1OC(F)F 587279848 DIIKJPBFFBOCRI-UHFFFAOYSA-N 363.272 4.182 5 1 FIBF CC(CO)(CO)NCc1cc2ccc3ccsc3c2c2ccccc12 34462387 HXRBCPSLLGWHBA-UHFFFAOYSA-N 351.471 4.041 5 1 FIBF O=[N+]([O-])c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135283 WOQOUVRVXPMZQX-RQOWECAXSA-N 355.222 4.337 5 1 FIBF CC(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1 1772570014 FKFGESLBLYGMRL-GOSISDBHSA-N 353.378 4.256 5 1 FIBF O=[N+]([O-])c1cccc([C@@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)c1 1857538888 UYUDNALWNUOOCC-FQEVSTJZSA-N 369.384 4.048 5 1 FIBF COCCCN1CCN(c2c3ccccc3nc3c2[nH]c2ccccc23)CC1 95580260 GHXBAYZUGXXYIO-UHFFFAOYSA-N 374.488 4.028 5 1 FIBF Oc1cccc(N2CCN(c3nc4ccccc4c4ccccc34)CC2)c1 103264612 UCXQUJXMAIQIMC-UHFFFAOYSA-N 355.441 4.420 5 1 FIBF CC(=O)c1ccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1 586880571 OFHHURRRJLDHNE-UHFFFAOYSA-N 358.357 4.403 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(S)ccc3F)[nH]c12 587141022 MXGUHYXUJWPHOF-UHFFFAOYSA-N 368.187 4.328 5 1 FIBF O=C(c1cc(F)c(Cl)nc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280354 ULQWXJQATRDEHV-UHFFFAOYSA-N 355.108 4.413 5 1 FIBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508942 GVXXKLFHGJTVPN-LJQANCHMSA-N 353.374 4.189 5 1 FIBF N=C(N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1 26171952 LIQBSSKISKBOEY-UHFFFAOYSA-N 355.397 4.235 5 1 FIBF c1cnc2c(c1)c1nc(-c3csc4c3CCOC4)[nH]c1c1cccnc12 587031727 LPIQLFDJDJLCAV-UHFFFAOYSA-N 358.426 4.461 5 1 FIBF COCCNc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1[N+](=O)[O-] 587265184 MCTXJHZTLYXEBN-UHFFFAOYSA-N 368.437 4.494 5 1 FIBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1 587645120 WMDJLGHCMOZWLR-UHFFFAOYSA-N 372.764 4.137 5 1 FIBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587164673 YVYQKNLWGKGXME-NRFANRHFSA-N 371.419 4.449 5 1 FIBF COc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512897 PMRQCDDFQOUUCU-LJQANCHMSA-N 353.374 4.189 5 1 FIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)cc([N+](=O)[O-])c1O)CC2=O 587468207 BXRYKHJXYWIQTC-GOSISDBHSA-N 371.389 4.227 5 1 FIBF COc1cc(C)c2c(=O)c3c(O)c(Cl)c(OC)c(Cl)c3oc2c1 13451778 ZPLILIOXZHNNLY-UHFFFAOYSA-N 355.173 4.284 5 1 FIBF biogenic Cc1cccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)c1 96916336 OEIGMWMVHKZOKJ-UHFFFAOYSA-N 356.216 4.437 5 1 FIBF Cc1c(CC[C@@H](C)[N+](=O)[O-])nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987883 UJICUYMOLUDUSM-LLVKDONJSA-N 362.385 4.058 5 1 FIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(O)cc3Cl)[nH]c12 587055863 QSNLROISYFCTBR-UHFFFAOYSA-N 368.574 4.260 5 1 FIBF O=S(=O)(Cc1ccccc1)Nc1ccc2nc(O)c3ccccc3c2c1 1857588324 TWLZBHMHISJIGY-UHFFFAOYSA-N 364.426 4.036 5 1 FIBF COc1cccc2sc3ccc(NCC[C@H]4CCCN4C)cc3c(=O)c12 15934050 LAELEPPDLGFLIW-OAHLLOKOSA-N 368.502 4.320 5 3 FIBF CC(C)(O)c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc2c1Br 28818432 HXQNEIDGZQXTAE-UHFFFAOYSA-N 367.121 4.085 5 1 FIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccc(F)cc1)c1cccs1 28464835 FXEZBNKQXQTWBC-QGZVFWFLSA-N 361.398 4.107 5 1 FIBF O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2CCCC[C@H]21 29049489 WCPNKJFFGJBDGL-HNAYVOBHSA-N 365.433 4.452 5 1 FIBF O=C1O/C(=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc21 586907884 YFVKKFXEPJJXCR-RGVLZGJSSA-N 364.364 4.328 5 1 FIBF Cc1nc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cs1 653700470 CPYMPVXNMJXXJW-UHFFFAOYSA-N 357.222 4.373 5 1 FIBF CC(C)[C@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F 64560444 SDYVZQPJOBQDEW-AWEZNQCLSA-N 353.319 4.214 5 1 FIBF C[C@@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586960929 DJHDINHVTDLMQD-SNVBAGLBSA-N 358.379 4.374 5 1 FIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1 587576006 MEDTYBNUKVMDRB-YLJYHZDGSA-N 363.325 4.003 5 1 FIBF