smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)c1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1119993 MKRPZIKCWVWYLM-UHFFFAOYSA-N 375.406 3.589 5 50 GHBA CCOC(=O)[C@@H](C)On1c(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc21 3063764 CTEGWISSCJWAIJ-LLVKDONJSA-N 389.795 3.645 5 50 GHBA Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 4858373 XDWINHYRGGWYEW-UHFFFAOYSA-N 388.855 3.561 5 50 GHBA O=C(c1cc2ccccc2c2cccnc12)N1CCN(c2ncccc2F)CC1 225525591 NPKAGMICWVHIPC-UHFFFAOYSA-N 386.430 3.885 5 50 GHBA CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 1472641619 YFQULIPWGDKEMR-HWOWSKLDSA-N 395.525 3.688 5 50 GHBA CCn1c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc2ccccc21 157289325 NEPRVKFQEBKBIH-GOSISDBHSA-N 394.431 3.950 5 50 GHBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 4652357 NWSJNUFBYZXXKN-UHFFFAOYSA-N 387.465 3.505 5 50 GHBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 1738431 IKPDWVFJWTZGGX-UHFFFAOYSA-N 380.154 3.826 5 50 GHBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@H]1[N+](=O)[O-] 239378243 OLWNCVCXQCBLHB-XMTFNYHQSA-N 391.374 3.667 5 50 GHBA O=C(O)c1ccc(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 3129761 ZKKUREOWLHGSBL-UHFFFAOYSA-N 383.381 3.793 5 50 GHBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 4677815 NDKDTAUIXPWJKD-UHFFFAOYSA-N 376.869 3.767 5 50 GHBA O=c1cc(-c2ccccc2)nc(SCCCOc2cccc([N+](=O)[O-])c2)[nH]1 16426442 ZXENBQGUWITAQV-UHFFFAOYSA-N 383.429 3.906 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 882006 LSUMRASNLMGFIW-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 944956 WVRGGNDOMAINLT-LXSSAFMLSA-N 385.445 3.532 5 50 GHBA CN1CCN(C(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])CC1 4832082 PAPRZCDFQNNSPG-UHFFFAOYSA-N 391.880 3.787 5 50 GHBA O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)c1cccc([N+](=O)[O-])c1 4824795 YZJNSTNSIMRACX-UHFFFAOYSA-N 391.335 3.822 5 50 GHBA CCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 4529290 CJBWWPFIRGISAV-LLVKDONJSA-N 399.618 3.528 5 50 GHBA O=[N+]([O-])c1ccc(OCc2cnc(C3OCCO3)s2)c(C(F)(F)F)c1 253425381 AJYUSCLNDXKTQB-UHFFFAOYSA-N 376.312 3.695 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 1111067 IXGHLBRSNGDFEG-UHFFFAOYSA-N 391.630 3.812 5 50 GHBA CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4983189 WUBNGEQUAFBXOU-UHFFFAOYSA-N 383.404 3.624 5 50 GHBA O=C(NC[C@H]1CC[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869745 ZKXQTDNXIILMHK-GXTWGEPZSA-N 382.445 3.913 5 50 GHBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] 1218457 HDWNJEAXEURRCM-UHFFFAOYSA-N 396.230 3.991 5 50 GHBA O=C(/C=C/c1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4619719 FFVNZTBALHTRBU-CMDGGOBGSA-N 389.814 3.749 5 50 GHBA CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 856056 YAONACLYLPKRSU-NRFANRHFSA-N 378.384 3.899 5 50 GHBA O=C(O)CCC(=O)Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 1127256 KVJUYOYKECRTEH-UHFFFAOYSA-N 394.408 3.873 5 50 GHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2Br)CC1 2501683 ZNOKNKFFEBRSFY-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 20508687 MISLXTACRFCLJW-QPJJXVBHSA-N 385.851 3.719 5 50 GHBA O=[N+]([O-])c1ccc(O[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 1215361 CZHIQXHADWWVQU-HXUWFJFHSA-N 398.440 3.693 5 50 GHBA O=[N+]([O-])c1cccc(-c2nnc(S)n2-c2ccc(Br)cc2)c1 2911278 QFCJBUCOMWUKLI-UHFFFAOYSA-N 377.223 3.894 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2ccccc12 4706729 GGLRCZGUHMVLHY-UHFFFAOYSA-N 381.413 3.883 5 50 GHBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 19537506 TYVMKPYLIALTJR-QPJJXVBHSA-N 385.851 3.719 5 50 GHBA COc1cccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 4817235 WEIPMDOZYWHVGR-UHFFFAOYSA-N 378.432 3.787 5 50 GHBA Cc1cc2c(Nc3c([N+](=O)[O-])ccc4c3=NC3(CCCCC3)N=4)cccc2nn1 100498825 XJOCDYWOZJRBCP-UHFFFAOYSA-N 388.431 3.503 5 50 GHBA CC(=O)Nc1c(OCCOc2ccc([N+](=O)[O-])cc2)n(C)c2c(C)cccc12 253427482 FSVKOJQRJHLQPO-UHFFFAOYSA-N 383.404 3.811 5 50 GHBA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])s1 5041408 XBBLPCFQWMLHRC-UHFFFAOYSA-N 395.462 3.823 5 50 GHBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 673702 WCOMHVBHLVIPAC-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA CC(=O)Nc1cc([N+](=O)[O-])c(NS(=O)(=O)c2ccccc2)c2ccccc12 4526660 DPMOCQDIQBGLBA-UHFFFAOYSA-N 385.401 3.507 5 50 GHBA COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](Sc2ccc(Cl)cc2)C1=O 100115223 PLLSSFACJNAOMH-OAHLLOKOSA-N 392.820 3.681 5 50 GHBA O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl)c1ccco1 908402 CFWQAJUALNGISI-UHFFFAOYSA-N 375.724 3.939 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 4043757 UZYWZDVJWOXKHG-SFHVURJKSA-N 395.415 3.553 5 50 GHBA CN(C)c1cc(F)c(C(=O)Nc2nnc(-c3ccsc3)s2)cc1[N+](=O)[O-] 253429850 GYHLLBPUXWBSNP-UHFFFAOYSA-N 393.425 3.632 5 50 GHBA O=C(CSc1nc2ccccc2s1)OCC(=O)c1cccc([N+](=O)[O-])c1 2070869 HSIJOUGMQUDUSH-UHFFFAOYSA-N 388.426 3.723 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 1304041 NRTKHARBQLZWNT-UHFFFAOYSA-N 394.412 3.939 5 50 GHBA Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1NC(=O)N(C)C 252488465 ISLDPGCWGCJGET-UHFFFAOYSA-N 399.451 3.828 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 1030894 ZOMOERCRGNBHIA-UHFFFAOYSA-N 394.412 3.710 5 50 GHBA COc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 1174416 BHJTYPOHYIZGFA-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](Sc2ccc(Cl)cc2)C1=O 4551203 PLLSSFACJNAOMH-HNNXBMFYSA-N 392.820 3.681 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1C 4698938 CSCSZMLOOSEVBX-UHFFFAOYSA-N 395.209 3.692 5 50 GHBA COc1ccc(Br)c(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 225459333 SIDJRUBOGZQBGF-UHFFFAOYSA-N 396.193 3.811 5 50 GHBA CCOC(=O)c1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=N 334157006 LFFSPPUYOVZOFN-UHFFFAOYSA-N 376.372 3.676 5 50 GHBA COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC 915907 ZSURMWMRNZVIID-UHFFFAOYSA-N 384.432 3.854 5 50 GHBA O=C(NC[C@@H]1CC[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869747 ZKXQTDNXIILMHK-OCCSQVGLSA-N 382.445 3.913 5 50 GHBA CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O)C1CCCCC1 4821381 QVPGDYJQVBOZJD-UHFFFAOYSA-N 396.447 3.715 5 50 GHBA O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] 1132721 NSUPHFZUDGCDNH-UHFFFAOYSA-N 384.461 3.712 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2cccs2)c1 4681978 SNISSLDFXVSGSI-UHFFFAOYSA-N 397.412 3.926 5 50 GHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@]2(C1)OCc1ccccc12 377061643 MUHCJYFBWWAMFY-VWLOTQADSA-N 396.446 3.953 5 50 GHBA CCOC(=O)c1ccc(COC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1 5013337 BZAVYNSTJIRLCV-UHFFFAOYSA-N 389.429 3.997 5 50 GHBA COC(=O)COc1c(Sc2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1 1131405 QYJPEBSPVIZRHS-UHFFFAOYSA-N 399.428 3.792 5 50 GHBA O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1NCc1ccccc1 4158834 XLJMWYXEENTAKI-UHFFFAOYSA-N 397.456 3.685 5 50 GHBA NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2730304 BADSZPWOIMHLQO-UHFFFAOYSA-N 395.440 3.527 5 50 GHBA O=c1c2cc3c(=O)n(Cc4ccccc4)ccc3nc2ccn1Cc1ccccc1 40398765 DTGCOSIDCUQEJG-UHFFFAOYSA-N 393.446 3.808 5 50 GHBA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4134898 MLBNTVOLHQHDMW-LIKPIUCQSA-N 396.402 3.991 5 50 GHBA biogenic Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 1148781 VLWPASOFXUZZSD-UHFFFAOYSA-N 379.372 3.679 5 50 GHBA O=C1c2cc(Br)c([N+](=O)[O-])cc2C(=O)N1c1cccc(Cl)c1 1068283 SZGLNNOGNAPOAL-UHFFFAOYSA-N 381.569 3.811 5 50 GHBA O=C(Nc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4837205 IGUKHLMKHWEZMO-GHRIWEEISA-N 377.356 3.597 5 50 GHBA COC(OC)c1ccnc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 1406360 ZNPZKWXMHTYUJC-UHFFFAOYSA-N 395.371 3.562 5 50 GHBA O=C(Nc1ccc(Cl)cc1Cl)c1n[nH]c([N+](=O)[O-])c1Br 5642277 LPURMQBFCZIIKS-UHFFFAOYSA-N 379.985 3.640 5 50 GHBA COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(C)(C)C)cc1 4904999 GIPMKTPLRITZTH-AQTBWJFISA-N 382.416 3.836 5 50 GHBA CCOC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 4653372 TYIHZWQCJKQEDC-MRXNPFEDSA-N 376.796 3.673 5 50 GHBA COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1204028 JPRHEPOMFKNYQP-UHFFFAOYSA-N 389.371 3.590 5 50 GHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc(OC)c1O 253397602 BNPHCURWZSKRRW-UHFFFAOYSA-N 391.383 3.963 5 50 GHBA biogenic O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3ccccc3C2=O)cc1 4042828 IDKADOOULNJFEE-UHFFFAOYSA-N 387.351 3.648 5 50 GHBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4997387 LEKKRWNWBWNGHI-UHFFFAOYSA-N 395.337 3.703 5 50 GHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2nccs2)c1 1161587 JKEBSXGNTCZAGC-RMKNXTFCSA-N 394.412 3.956 5 50 GHBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 2780121 FOWUBYJGOGAFPE-UHFFFAOYSA-N 380.154 3.826 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 4690785 MJKSBVBKKVGUAS-UHFFFAOYSA-N 397.460 3.738 5 50 GHBA C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 4611092 NOYRAXQUSZUONW-MRVPVSSYSA-N 393.852 3.786 5 50 GHBA O=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 1127782 YXIHCHZKQAYGIS-HNNXBMFYSA-N 376.796 3.949 5 50 GHBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1 865254 CTDJLEOOTDIFMP-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1 240551414 GTMNTSZVRMQZQC-UYAOXDASSA-N 397.500 3.830 5 50 GHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1 2982543 BZNVWPBWSOLOHP-UHFFFAOYSA-N 376.503 3.878 5 50 GHBA O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 711150 OIVXEQUOIXEVGS-UHFFFAOYSA-N 375.384 3.777 5 50 GHBA CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)ccc1c23 754538 WATLXAJONUUEKG-UHFFFAOYSA-N 397.412 3.529 5 50 GHBA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2ccc([N+](=O)[O-])cc2)cc1 4321365 UOMUIGQEZAOBMR-IBGZPJMESA-N 379.372 3.547 5 50 GHBA O=C(C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC1CCCCC1 8462978 GZIGOCVYJRDTMZ-VWLOTQADSA-N 379.356 3.597 5 50 GHBA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc([N+](=O)[O-])c21 65748115 XURQCNORMJHFOV-UHFFFAOYSA-N 377.308 3.574 5 50 GHBA CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 2810754 KYFYQMGHGKPQKK-UHFFFAOYSA-N 398.415 3.692 5 50 GHBA O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 13322851 BLUFDENDQXJSKW-UHFFFAOYSA-N 384.480 3.713 5 50 GHBA CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1[N+](=O)[O-] 678474 DFTBIXSXZXXFJU-UHFFFAOYSA-N 380.784 3.916 5 50 GHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc2c1OCO2 253406567 JBPQEOBNYIAEKH-UHFFFAOYSA-N 389.367 3.978 5 50 GHBA biogenic O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 1179583 YCGBCYPJQAOTPQ-FPYGCLRLSA-N 379.800 3.914 5 50 GHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cccc(Cl)c2Cl)C1 1875357418 GNSZKZNGYWOIOY-HNNXBMFYSA-N 396.230 3.819 5 50 GHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 104233867 HAKHKUNDPNWMOZ-UHFFFAOYSA-N 383.660 3.716 5 50 GHBA Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1)[C@@H](C)C2 2325861911 CLJHBJKUBOPGKO-ONGXBYRLSA-N 379.460 3.922 5 50 GHBA C[C@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br 4560755 CXRINPODNWAEBE-LLVKDONJSA-N 378.226 3.588 5 50 GHBA O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOC[C@H](C2CCC2)C1 366537328 WSJAISXWLJKVFI-OAHLLOKOSA-N 387.461 3.607 5 50 GHBA O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16477058 SRVSCOKHGGSFOL-UHFFFAOYSA-N 391.339 3.986 5 50 GHBA Cc1c(CC(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cccc1[N+](=O)[O-] 170593764 INCRFFKCQCDGRE-GOSISDBHSA-N 378.350 3.966 5 50 GHBA CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C 4108681 UHOQCUJPFQKYCY-WPKBUWHJSA-N 387.436 3.687 5 50 GHBA COc1cc(CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc(OC)c1 170596305 WCORRUYPEHLOKV-UHFFFAOYSA-N 381.388 3.732 5 50 GHBA Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(O)cc([N+](=O)[O-])c3)nn12 829537 HRKYQSUBSZVDKD-UHFFFAOYSA-N 389.371 3.571 5 50 GHBA O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 100016084 OYYDSUSKLWTMMQ-JKHIJQBDSA-N 392.519 3.770 5 50 GHBA fda O=C(NC[C@@H]1CCCO1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 1148950 RTYNGGGOBWUWSY-HNNXBMFYSA-N 376.796 3.949 5 50 GHBA O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] 1207168 VHZOATKFJAMZQN-UHFFFAOYSA-N 377.335 3.720 5 50 GHBA Cc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(N2CCN(C)CC2)cc1 974671 UFDJMFYGTDNWMY-UHFFFAOYSA-N 384.483 3.599 5 50 GHBA O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 37219702 DDEYFOUPZMMJET-ATVHPVEESA-N 384.413 3.970 5 50 GHBA CCc1ccc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 13322785 ZQNGXQHVPBKYEU-UHFFFAOYSA-N 398.463 3.516 5 50 GHBA O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccc(I)cc1 838878 JXAMPXCVECISOL-UHFFFAOYSA-N 393.136 3.973 5 50 GHBA COc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)c([N+](=O)[O-])cc1OC 1116553 RFPXEPMAFLDHQZ-UHFFFAOYSA-N 392.437 3.764 5 50 GHBA COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 1176310 PKQNSYCMQHLQHF-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA O=C(Cc1cccc2ccccc12)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 35864432 WHAYKUIMDHFFTI-UHFFFAOYSA-N 381.413 3.509 5 50 GHBA Cc1nccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 328594080 OAHHBDHLDBPYLL-UHFFFAOYSA-N 392.824 3.543 5 50 GHBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 13302400 KMZITOSZKDEXQG-JQBYJRRVSA-N 396.402 3.991 5 50 GHBA biogenic O=[N+]([O-])c1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1 820218 ANDNJENYPXSPNU-UHFFFAOYSA-N 382.397 3.768 5 50 GHBA O=C(N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)C12CC3CC(CC(C3)C1)C2 5050754 VAPUTQASAOBZAN-UHFFFAOYSA-N 387.455 3.599 5 50 GHBA Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4757959 YWQIDLIQZNVNBB-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 4091567 MPLNUCDWCYDDRV-UHFFFAOYSA-N 381.413 3.883 5 50 GHBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N2CCCCC2)cc1 4964763 HPEIXAMMMMVRID-HKWRFOASSA-N 393.443 3.687 5 50 GHBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)c1 4978100 BEYCKBCECKLTIG-UHFFFAOYSA-N 378.388 3.863 5 50 GHBA aggregator O=c1[nH]c(/C=C/c2ccc(Sc3ccc(Cl)cc3)o2)nc(O)c1[N+](=O)[O-] 9234932 FONJVHYKFZGSOO-XVNBXDOJSA-N 391.792 3.952 5 50 GHBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 20028646 RSIWJMMGKUVEDR-UHFFFAOYSA-N 393.365 3.572 5 50 GHBA CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 334163202 WOWORGXEGYNACP-SFHVURJKSA-N 396.403 3.537 5 50 GHBA COC(=O)c1cc(N[C@H](CO)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 225463173 ORZJSDXAMYQTGD-CYBMUJFWSA-N 385.203 3.834 5 50 GHBA O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1-c1ccccn1 38829324 KMUFTOGOIGBYNR-UHFFFAOYSA-N 386.455 3.991 5 50 GHBA O=[N+]([O-])c1cc(Br)c(C(F)(F)F)cc1I 38537831 VKMQPFOZIBWBPJ-UHFFFAOYSA-N 395.900 3.981 5 50 GHBA in-vitro O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 1135088 NUXVSLFIJPIWPU-INIZCTEOSA-N 397.456 3.776 5 50 GHBA COc1ccc(C(=S)N2CCCC2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 1156791 MMDWOVYGAOXBCE-UHFFFAOYSA-N 386.429 3.594 5 50 GHBA CC(C)COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4841758 AOWNDBMBAWAGQP-UHFFFAOYSA-N 383.448 3.592 5 50 GHBA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1 4980367 WPFYJNMJGXNCKL-UHFFFAOYSA-N 385.401 3.507 5 50 GHBA Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1138323 SPZORXFAJQZABQ-UHFFFAOYSA-N 393.399 3.773 5 50 GHBA Nc1ccc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[N+](=O)[O-] 173221130 BAHXGICEDNJEMR-UHFFFAOYSA-N 389.824 3.525 5 50 GHBA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])s1 8082577 HMVSEXLGEOETPO-UHFFFAOYSA-N 383.426 3.953 5 50 GHBA Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5065560 QRQQCMPMYCFLBZ-UHFFFAOYSA-N 385.239 3.775 5 50 GHBA O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCOCC3)cc2Cl)cc1 1072932 GIYLIAAHVULFDF-UHFFFAOYSA-N 392.864 3.835 5 50 GHBA CC(=O)Nc1ccc(Br)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 1122944 WKCJFGHJOXNSQH-UHFFFAOYSA-N 393.193 3.673 5 50 GHBA CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(N2CCNC2=O)c1 1875281791 WYNXJVAMKOBWBI-OAHLLOKOSA-N 398.463 3.762 5 50 GHBA CCOC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 837261 SDITVUOAZQGCHP-UHFFFAOYSA-N 390.351 3.725 5 50 GHBA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1138765 GKBDDZYGGNZNBI-SFHVURJKSA-N 396.472 3.643 5 50 GHBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4608262 UNXFPYWFPIZOKN-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCCN(C[C@@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1Br 170622608 ITNNBEAOXGNVDW-ZDUSSCGKSA-N 385.258 3.779 5 50 GHBA O=C(c1ccccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4543450 JFZFRIGKZANZJG-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA Cc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 1774462 BFCVQVXUYWDELR-UHFFFAOYSA-N 395.415 3.698 5 50 GHBA COc1ccc(N(C(=O)Cn2c([N+](=O)[O-])cnc2C)[C@H](C)c2ccccc2)cc1 1078273 ZNZBLRMVIOIMQO-OAHLLOKOSA-N 394.431 3.903 5 50 GHBA Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 4706960 MOFRDHOHAWYQOP-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1 2325879455 WEBIALFEJQLEMN-UHFFFAOYSA-N 398.368 3.764 5 50 GHBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)c(OC)c1 409415361 CNKNNHIOPKHFJI-UHFFFAOYSA-N 391.383 3.963 5 50 GHBA biogenic O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 1193736 WTCXLOHEHUPIFO-OAHLLOKOSA-N 384.866 3.685 5 50 GHBA Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 4903143 XVEMLTZHNOHROB-MRXNPFEDSA-N 398.893 3.993 5 50 GHBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 1174003 QLZQTFGSWMETQA-UHFFFAOYSA-N 377.397 3.648 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 4549082 XZKZIQFEYQPXKT-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)NCc1ccccc1 4867137 KBCBXTNHRJKGKK-UHFFFAOYSA-N 389.411 3.801 5 50 GHBA CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 55090486 NZHGMBBMVPMQQE-UHFFFAOYSA-N 388.471 3.713 5 50 GHBA O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19228850 CUJDDYGWCFJOSR-ZDUSSCGKSA-N 380.659 3.507 5 50 GHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1C(=O)O 4828762 XXQIYHWRDBBXSD-UHFFFAOYSA-N 380.809 3.818 5 50 GHBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 55494906 JRFRRVQOXUIFAO-QPJJXVBHSA-N 382.489 3.623 5 50 GHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cc(F)c(F)cc1Cl 4046009 JSINWULXYRTFQS-NSHDSACASA-N 395.793 3.877 5 50 GHBA O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C3=Cc4ccccc4CC3)n[nH]2)c1 754825629 BSXRCUKHZQXDES-UHFFFAOYSA-N 396.428 3.714 5 50 GHBA COC(=O)c1cc(C(=O)Nc2ccc(Br)cc2C)cc([N+](=O)[O-])c1 1097983 LAGKCNADOOGDJF-UHFFFAOYSA-N 393.193 3.705 5 50 GHBA CCOCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1745301 VIOSXAWQNZIHFH-UHFFFAOYSA-N 392.795 3.694 5 50 GHBA Cc1cc(F)c(F)cc1C(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 4117271 BVFYJOKKDMNXLL-UHFFFAOYSA-N 393.365 3.591 5 50 GHBA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O 1078406 NWRKVXKRAWHPJP-LJQANCHMSA-N 387.436 3.791 5 50 GHBA CC(=O)c1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2796316 MENZHIJBAWJOEA-UHFFFAOYSA-N 392.415 3.911 5 50 GHBA CC(=O)Nc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 813242 MRIYKZFYDFIQCP-UHFFFAOYSA-N 375.340 3.507 5 50 GHBA CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCCC2 170637335 QXUGOFGLTWMKTA-MSOLQXFVSA-N 396.509 3.570 5 50 GHBA O=c1c2c3c(sc2nc2c4ccccc4c(N4CCCCC4)nn12)CCC3 952405 UKLLAFFXPGDHOP-UHFFFAOYSA-N 376.485 3.936 5 50 GHBA Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4757664 XPDLBCSXHIXCHK-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c21 5009356 CHXXPNNPICZRSU-UHFFFAOYSA-N 386.385 3.661 5 50 GHBA O=[N+]([O-])c1ccc(N2N=N[C@@H]3CC[C@@H](C4=CCCC4)[C@]32N2CCOCC2)cc1 1875390498 SDPUHQNZIASGFD-XUVXKRRUSA-N 383.452 3.699 5 50 GHBA COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nc(-c3ccccc3)c(C)s2)n1 225541866 XHQWXOCLPHONMO-UHFFFAOYSA-N 398.444 3.863 5 50 GHBA CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 4187915 RVVQRBZLMDJOCP-INIZCTEOSA-N 382.464 3.827 5 50 GHBA Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 1128962 VTGDANWLQPVDIK-ZDUSSCGKSA-N 397.460 3.818 5 50 GHBA O=C(OCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 2844456 XFOVMHCPZSBPOZ-UHFFFAOYSA-N 397.408 3.785 5 50 GHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cccc(Cl)c2Cl)C1 1875357419 GNSZKZNGYWOIOY-OAHLLOKOSA-N 396.230 3.819 5 50 GHBA Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc(C)c1Br 1113139 CEUILWDKYBUPFT-UHFFFAOYSA-N 375.178 3.775 5 50 GHBA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1180468 CTZMQQCNIIVUJX-SFHVURJKSA-N 396.472 3.643 5 50 GHBA CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1113910 NKHHWLUXBXGWJC-SFHVURJKSA-N 396.472 3.643 5 50 GHBA CSc1nnc(Sc2c([N+](=O)[O-])nc(C)n2Cc2ccccc2)s1 2989845 YRZOYNQBRKBTQK-UHFFFAOYSA-N 379.492 3.873 5 50 GHBA Cc1cc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)ccc1Br 1429854 MYZBBTFSOBYTHV-UHFFFAOYSA-N 395.257 3.898 5 50 GHBA Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 4576722 FLXWGPVGZIWHOI-CPNJWEJPSA-N 391.383 3.906 5 50 GHBA C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 13330571 SHOYRFDZVULFHH-VIFPVBQESA-N 375.233 3.941 5 50 GHBA Cc1cc(Br)cc(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 1158588 UQLVWRIHKBLMPW-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 5027810 MATYCMOMWNELTK-UHFFFAOYSA-N 391.630 3.812 5 50 GHBA O=C(Oc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4846135 QRXLEAHJDPTCOR-UHFFFAOYSA-N 397.214 3.957 5 50 GHBA O=C(c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4543451 BIOQCJZMDADCQX-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 4644668 VCYUDXWYMNRUGK-DYESRHJHSA-N 379.416 3.863 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 1150591 FHKCIZLPCDXQMA-UHFFFAOYSA-N 391.383 3.865 5 50 GHBA COc1cc(C(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 1188467 JPLZWKBMCBQLKM-UHFFFAOYSA-N 399.172 3.766 5 50 GHBA Cc1cc(C)c2nc3s/c(=C\c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)n3c2c1 13163082 IIPMDCXWNZUINM-NVNXTCNLSA-N 385.832 3.635 5 50 GHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 650478 VNBQDMDSIVCSEK-UHFFFAOYSA-N 379.338 3.576 5 50 GHBA Cc1nc(N2CCOCC2)nc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 4371289 OWKBBXMYXXSXCI-UHFFFAOYSA-N 384.223 3.580 5 50 GHBA Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C(C)C)CC2 375559794 GOOUWJLFKVQINK-OXQOHEQNSA-N 398.463 3.738 5 50 GHBA Cc1ccccc1N1C(=O)c2cccc3c(N(C)C)c([N+](=O)[O-])cc(c23)C1=O 4558740 NAZLHRYAFKKDDZ-UHFFFAOYSA-N 375.384 3.923 5 50 GHBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4687585 YAZYLROPRKUUDJ-UHFFFAOYSA-N 379.338 3.576 5 50 GHBA CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)NCc1ccccc1 4858329 RQFBZQLFQGZZHM-UHFFFAOYSA-N 389.411 3.801 5 50 GHBA CCOc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 55543415 PEHXMWUWBMGLNA-UHFFFAOYSA-N 375.856 3.969 5 50 GHBA O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3998664 WTCKZZYCEQMFSN-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCOc1cc(CO)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 4977968 VKMNZYKBSGMOMW-UHFFFAOYSA-N 382.210 3.827 5 50 GHBA COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)(F)F)c1 5065365 GYWRIUDYZBKQST-UHFFFAOYSA-N 383.326 3.924 5 50 GHBA Cc1nc(N2CC(C)(C)[C@H]2c2nccn2-c2cccc(F)c2)ncc1[N+](=O)[O-] 952894857 RCYZXXDFHAPGCH-MRXNPFEDSA-N 382.399 3.606 5 50 GHBA COc1ccc(CCNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 1316241 NXIUXZBNOGSHCZ-UHFFFAOYSA-N 396.399 3.845 5 50 GHBA COC(=O)[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C 4052735 LOBHPJYVIQACAR-NSHDSACASA-N 379.291 3.521 5 50 GHBA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 104184478 MPANFRBATGWFFA-RDJZCZTQSA-N 391.427 3.636 5 50 GHBA CCCCOc1ccc2ccccc2c1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 5041440 XDXTURAGOILRRC-MDZDMXLPSA-N 381.388 3.886 5 50 GHBA CCOC(=O)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 4653393 RVLDLXAQSPIVOE-OAHLLOKOSA-N 376.796 3.673 5 50 GHBA CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 4698921 UMYCBLVAIDAHKU-UHFFFAOYSA-N 379.210 3.937 5 50 GHBA COc1cc2c(cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1)oc1ccccc12 4686732 KTCQEVAVXWXCFL-NSHDSACASA-N 380.360 3.899 5 50 GHBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc1OC 263585035 DITMJNQYAWNIKG-UHFFFAOYSA-N 391.383 3.963 5 50 GHBA biogenic O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1cccc([N+](=O)[O-])c1 4839969 ZFAZPRKQPORXRA-UHFFFAOYSA-N 391.408 3.916 5 50 GHBA O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 2849840 RJDUVBQKPZIPKJ-UHFFFAOYSA-N 376.166 3.986 5 50 GHBA O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Br)o3)o2)cc([N+](=O)[O-])c1 2921440 WQLFKPPZSNACDI-UHFFFAOYSA-N 381.098 3.576 5 50 GHBA CN1/C(=C/[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21 4247737 JXRMRWYQQYIQGI-BXUJETTOSA-N 391.427 3.786 5 50 GHBA aggregator O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 2994394 MKUASIVXAXUKHI-JTQLQIEISA-N 394.214 3.893 5 50 GHBA Cn1cc(N2CCC[C@@H](NC(=O)c3cc4ccccc4c4cccnc34)C2)cn1 225412014 LQSRAYQXJOMGMX-QGZVFWFLSA-N 385.471 3.520 5 50 GHBA CCn1ccnc1[C@H]1CCCCN1C(=O)CCCNc1ccccc1[N+](=O)[O-] 225489956 QZKGFUYTALJMBE-GOSISDBHSA-N 385.468 3.757 5 50 GHBA O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 5092844 VDQVDNIHVOYWKD-UHFFFAOYSA-N 394.258 3.793 5 50 GHBA COc1ccc(C(C)(C)C)cc1NC(=O)c1n[nH]c([N+](=O)[O-])c1Br 5613740 CJZDXYQAPUSOFR-UHFFFAOYSA-N 397.229 3.639 5 50 GHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 170621763 JKFQZKMSTUKHGE-UHFFFAOYSA-N 391.383 3.874 5 50 GHBA CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCCC2 170637331 QXUGOFGLTWMKTA-ROUUACIJSA-N 396.509 3.570 5 50 GHBA O=C1N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 1128987 AWEMBPUHWLNQBM-AWNIVKPZSA-N 378.171 3.999 5 50 GHBA O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1 2325744567 PXAPFYIRUZUDRL-SFHVURJKSA-N 385.807 3.707 5 50 GHBA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] 1068686 PPIZMBDMPDJSQY-UHFFFAOYSA-N 380.404 3.625 5 50 GHBA C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 13330569 SHOYRFDZVULFHH-SECBINFHSA-N 375.233 3.941 5 50 GHBA CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 2485701 YAJQXULTVQFHOR-UHFFFAOYSA-N 382.372 3.742 5 50 GHBA CC(C)CCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 100461435 DBGPBVWTXQBVHK-UHFFFAOYSA-N 395.415 3.914 5 50 GHBA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2ccc([N+](=O)[O-])cc2C)cc1 4321367 LDWAXAGYKPQJIQ-FQEVSTJZSA-N 393.399 3.856 5 50 GHBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2754528 AELGBYAYPUIDGR-UHFFFAOYSA-N 398.231 3.860 5 50 GHBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)cc1 4998293 IKVYNDXPUHEWAO-UHFFFAOYSA-N 378.388 3.863 5 50 GHBA O=C(c1cc2ccccc2o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5104299 XYHROODOCAAYTR-UHFFFAOYSA-N 385.807 3.957 5 50 GHBA CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(-c3ccc([N+](=O)[O-])cc3)c(C)oc2c1 3125011 HOTOEKWTDLIZGA-UHFFFAOYSA-N 397.339 3.527 5 50 GHBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1O 4812004 NELCHDHVXRNTSZ-PKNBQFBNSA-N 375.340 3.763 5 50 GHBA COC[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 170615819 QFVYMZTYGJPYGQ-NSHDSACASA-N 390.870 3.513 5 50 GHBA O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1 1170976 NFWVMAXTZZHMDC-UHFFFAOYSA-N 387.347 3.846 5 50 GHBA CC(=O)c1ccc(C)c2oc3c(C)c(=O)cc(C(=O)[C@@H]4CCCCO4)c-3nc12 169722666 MLGNAPZOIZDETM-KRWDZBQOSA-N 379.412 3.864 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 984326 KDIRRJVVIGNBOM-RXVVDRJESA-N 379.416 3.863 5 50 GHBA Cc1c(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cccc1[N+](=O)[O-] 1115922 GYWYCEUOFFTKKX-UHFFFAOYSA-N 394.416 3.630 5 50 GHBA CCOc1ccc(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 4978754 KAHMSWOQZLOBJQ-GJZGRUSLSA-N 384.432 3.838 5 50 GHBA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1C)CC2 151238527 IYHRCJFONFGBJP-LLVKDONJSA-N 395.337 3.731 5 50 GHBA O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 6471752 BXZGFZOJHAAJRI-OQLLNIDSSA-N 385.357 3.740 5 50 GHBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Br)c2cccnc12 1164967 KZYGLNHMBTYBDE-UHFFFAOYSA-N 398.172 3.706 5 50 GHBA Cc1ccc([C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 408515298 MVYGUAWIOPYRCH-OAQYLSRUSA-N 377.400 3.583 5 50 GHBA CC1CCC(C(=O)N[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 4682399 QKQVGDFAAHVBDW-JFUPDXTOSA-N 376.453 3.605 5 50 GHBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Br 1159611 GHXMRNMZAZRZGE-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 4011653 KMZITOSZKDEXQG-LIKPIUCQSA-N 396.402 3.991 5 50 GHBA biogenic CCc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 13948524 LINPGAXWGWZVRN-UHFFFAOYSA-N 385.239 3.721 5 50 GHBA COc1ccc(CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])c2nccs2)cc1 1875264278 BSYSTQSWGQMSEW-UHFFFAOYSA-N 399.428 3.916 5 50 GHBA CCCCCOC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 2027917 OHXZGUCDMWWQNY-UHFFFAOYSA-N 382.372 3.742 5 50 GHBA Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 104131861 CMXCDFMNRQFSPH-UHFFFAOYSA-N 380.700 3.625 5 50 GHBA COc1cc2c(cc1OC)C1(CCOCC1)CN=C2c1cccc([N+](=O)[O-])c1 820033 VOQOSQJCLOOMQS-UHFFFAOYSA-N 382.416 3.511 5 50 GHBA COc1ccc2c(c1)N(C(=O)c1ccnc(-c3ccccc3)c1[N+](=O)[O-])CCO2 253427055 KUYCNZXNFZIWPO-UHFFFAOYSA-N 391.383 3.705 5 50 GHBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 1200779 NIWGCTGKVBAANN-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2903655 BSTQQWZZPTUOFI-UHFFFAOYSA-N 390.661 3.823 5 50 GHBA C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 13330027 XOAJVKNOLIWTPH-SECBINFHSA-N 375.233 3.941 5 50 GHBA O=c1oc2ccccc2c2ccnc(NCCOc3ccc4c(c3)OCO4)c12 1776111694 LTKUCCJSSHGBQC-UHFFFAOYSA-N 376.368 3.561 5 50 GHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3ccccc23)CC1 19831912 CJWDFCIYUMUQQL-UHFFFAOYSA-N 375.428 3.706 5 50 GHBA Cc1ccc(C(=O)NC(=S)/N=c2/[nH]c(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2987104 WVRFLDZSIPNSEG-UHFFFAOYSA-N 398.469 3.575 5 50 GHBA C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 668475 VREXYUNIMWUJMO-NKLKJHRZSA-N 385.445 3.532 5 50 GHBA CCOc1ccccc1N1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 1199526 FAZFMQWFYKFSRA-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA C[C@]1(CN)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 261916973 YGAQCUCIBYVXPF-JOCHJYFZSA-N 391.475 3.618 5 50 GHBA O=C(Nc1nc2sc3c(c2c(=O)s1)CCCC3)c1ccc([N+](=O)[O-])cc1 2665417 JECIQNSISSAMRX-UHFFFAOYSA-N 387.442 3.757 5 50 GHBA CCc1ccc(OCCNc2cc(N3C[C@H](C)N[C@H](C)C3)ccc2[N+](=O)[O-])cc1 4181051 OZGLGMXBKISLNB-CALCHBBNSA-N 398.507 3.835 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Br)cs3)CC2)cc1 22591051 MLGVZZWKGNLTEN-UHFFFAOYSA-N 382.283 3.741 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 4685218 JBNXZJCXMYAWMF-UHFFFAOYSA-N 376.869 3.767 5 50 GHBA CCCCn1ccc2nc3ccn(Cc4ccc(OC)cc4)c(=O)c3cc2c1=O 40398786 JTIPIINPZMLYTH-UHFFFAOYSA-N 389.455 3.568 5 50 GHBA CCOC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 4653371 TYIHZWQCJKQEDC-INIZCTEOSA-N 376.796 3.673 5 50 GHBA Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)ccc1[N+](=O)[O-] 849413 WPLJUYQKAYJJNP-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1 937141 BBUJZYKAXQMKPQ-RUDMXATFSA-N 394.168 3.851 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(I)cc1 1176183 PGRSOEVSWZBIDO-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA CCc1nn(Cc2ccccc2)c(CC)c1CNc1ccnc(O)c1[N+](=O)[O-] 864096622 LUIDUZQGEGGQHO-UHFFFAOYSA-N 381.436 3.677 5 50 GHBA Cn1nc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4164394 SIGFRMXLMCAUHJ-UHFFFAOYSA-N 387.399 3.516 5 50 GHBA CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(N)=O)C1 996210 VGYLTZSPPULCLA-NSHDSACASA-N 387.461 3.831 5 50 GHBA CC(=O)Nc1cccc(NC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 4818981 OYKUOIKHYUYXQT-UHFFFAOYSA-N 396.325 3.623 5 50 GHBA Cc1cc(N2CCC3(CC2)CN(Cc2ccccc2)C[C@@H](C)O3)ncc1[N+](=O)[O-] 1875340357 XGTSZWBZSGBQLU-GOSISDBHSA-N 396.491 3.558 5 50 GHBA Cc1c(C(=O)Nc2nnc(CCC(=O)c3ccccc3)s2)cccc1[N+](=O)[O-] 1153173 IZQUGFVABOXOIW-UHFFFAOYSA-N 396.428 3.823 5 50 GHBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1 5101272 QZEWBFHEZGUPOX-SFQUDFHCSA-N 395.346 3.737 5 50 GHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br 4976832 MFVVBIGZQRALIR-UHFFFAOYSA-N 398.644 3.853 5 50 GHBA CCOc1ccc(C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)cc1 18168948 KAHMSWOQZLOBJQ-GASCZTMLSA-N 384.432 3.838 5 50 GHBA CC[C@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(N)=O)C1 1200358 HUECQVFQQBDJGW-NSHDSACASA-N 387.461 3.831 5 50 GHBA O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)nc2ccccn12 225442463 PWNNTAPGKPIBIT-CQSZACIVSA-N 392.337 3.839 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1 1136714 MTRMYWZZPMYWMU-UHFFFAOYSA-N 396.424 3.988 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1Cl 1173581 YGTKKDAGCTYGLR-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccccc2F)C1=O 170591565 HYTUQIJTANXKBF-YJBOKZPZSA-N 385.439 3.840 5 50 GHBA Cc1ccc(C(=O)NC(=S)/N=c2/[nH]c(-c3ccccc3)cs2)cc1[N+](=O)[O-] 2987052 ONSOBKJPRXYFFM-UHFFFAOYSA-N 398.469 3.575 5 50 GHBA CCn1c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc2ccccc21 157289159 NEPRVKFQEBKBIH-SFHVURJKSA-N 394.431 3.950 5 50 GHBA NC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2 657180 YFNBDEQTCMHLBP-MDZDMXLPSA-N 385.445 3.676 5 50 GHBA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 956354 FZDGWIHQEUEJPL-IBGZPJMESA-N 395.415 3.698 5 50 GHBA Cc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 1151221 GIUXGTFHGDBUKI-UHFFFAOYSA-N 393.365 3.884 5 50 GHBA CC(C)c1nc([C@@H]2CCCN2C(=O)N2CCCc3c2cccc3[N+](=O)[O-])no1 225508995 XJDUCJCLJDGIGK-INIZCTEOSA-N 385.424 3.811 5 50 GHBA CSc1ccc(Cl)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 6571071 XIQQIELZTZEIMH-UHFFFAOYSA-N 391.880 3.933 5 50 GHBA COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1 1115263 QKWSTRHFXLJMAV-UHFFFAOYSA-N 385.401 3.988 5 50 GHBA O=C(OCc1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1136108 RUIDTMLRNLMIHR-UHFFFAOYSA-N 397.408 3.785 5 50 GHBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 4913392 MUJWFPJUSHUCSH-SFHVURJKSA-N 380.400 3.524 5 50 GHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(I)cc1 1170527 PTYAGHBHSCIWOD-UHFFFAOYSA-N 386.120 3.591 5 50 GHBA O=C(Nc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 841645 JFPJZJFUJXCQFR-UHFFFAOYSA-N 389.161 3.716 5 50 GHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19782442 MRARXLCQOZOGKR-UHFFFAOYSA-N 393.365 3.572 5 50 GHBA O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837564 SKCQCCAMHLVMFY-INIZCTEOSA-N 375.384 3.740 5 50 GHBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc(I)cc3)n2)c1 1194257 OWLRFUCXQRFKJV-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4306761 QUBBGCNNXHXRCK-AWEZNQCLSA-N 377.809 3.690 5 50 GHBA O=C(Cc1cccc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 157150632 DRRNMHNSJHNNQG-UHFFFAOYSA-N 397.258 3.855 5 50 GHBA Cc1ccc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 2049286239 HTRPRRUTXIRFCG-UHFFFAOYSA-N 391.383 3.906 5 50 GHBA CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1C 2812837 LVWKNPYOTPBEKI-RGEXLXHISA-N 381.432 3.590 5 50 GHBA CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1133431 LXSUJXKIRWFRLN-UHFFFAOYSA-N 381.432 3.648 5 50 GHBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1C 4698822 QKZPYNYBNDEOHR-UHFFFAOYSA-N 397.460 3.912 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 4844532 OBRSFFBHUYUFMH-NSHDSACASA-N 399.266 3.705 5 50 GHBA CCOC(=O)C[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1Cl 4653452 FJMPNWGLXMMOTN-HNNXBMFYSA-N 390.823 3.981 5 50 GHBA COc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 885966 WUQPKGBKPLZHCV-UHFFFAOYSA-N 389.371 3.590 5 50 GHBA COc1ccc(C(=O)COC(=O)c2cc(C)nc3c(C)cccc23)cc1[N+](=O)[O-] 1170802 OCJRPPQKZMCIFH-UHFFFAOYSA-N 394.383 3.808 5 50 GHBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1[N+](=O)[O-] 8425981 ICZRCSCXBNLDKL-UHFFFAOYSA-N 390.402 3.844 5 50 GHBA COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1 1138489 VAKFMCPLCAVLFF-UHFFFAOYSA-N 384.417 3.606 5 50 GHBA O=C(c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)N1CCOCC1 1386941 BWQLQWKSSKHPAX-UHFFFAOYSA-N 378.837 3.872 5 50 GHBA CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 856057 YAONACLYLPKRSU-OAQYLSRUSA-N 378.384 3.899 5 50 GHBA CCOc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c2ccccc12 864554 BUOGBVJKWNDPNS-UHFFFAOYSA-N 397.412 3.733 5 50 GHBA O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)c1ccc2c(c1)OCCCO2 170626595 CEINYZNHHGCKQB-UHFFFAOYSA-N 379.372 3.503 5 50 GHBA CCOC(=O)c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1N 1295207 NGYHXEWVNZXDOL-UHFFFAOYSA-N 376.372 3.797 5 50 GHBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1Br 2305012 UNEOFBQYXQKFEC-UHFFFAOYSA-N 398.213 3.623 5 50 GHBA O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([N+](=O)[O-])cc1 828237 PDTKOJCLRIZPAZ-UHFFFAOYSA-N 384.171 3.707 5 50 GHBA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 4192935 VLQLCGLAEQLCMW-OAHLLOKOSA-N 388.811 3.626 5 50 GHBA COc1cc(OC)c(NC(=O)OCCOc2ccc([N+](=O)[O-])cc2)cc1Cl 1753810 MQGJWTNGIKPROA-UHFFFAOYSA-N 396.783 3.893 5 50 GHBA CCn1ccnc1[C@@H]1CCCCN1C(=O)CCCNc1ccccc1[N+](=O)[O-] 225489931 QZKGFUYTALJMBE-SFHVURJKSA-N 385.468 3.757 5 50 GHBA CCn1ncc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)cc21 225554256 USIYRSCNUKWIJB-UHFFFAOYSA-N 398.803 3.558 5 50 GHBA CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 9266361 IIPDWYWFTIKQOE-UHFFFAOYSA-N 379.416 3.735 5 50 GHBA O=[N+]([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1 253405926 UCCKCRSVJOMVIS-UHFFFAOYSA-N 389.216 3.637 5 50 GHBA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 4149959 ILDDVFSDLYBIGX-UHFFFAOYSA-N 388.401 3.961 5 50 GHBA COc1ccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 4982161 FVNKGRYTPSBNMN-UHFFFAOYSA-N 378.432 3.787 5 50 GHBA CC(C)c1nc([C@H]2CCCN2C(=O)N2CCCc3c2cccc3[N+](=O)[O-])no1 225508972 XJDUCJCLJDGIGK-MRXNPFEDSA-N 385.424 3.811 5 50 GHBA O=C(Nc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1 5060806 PZQCZXUVVFBKQS-UHFFFAOYSA-N 383.145 3.843 5 50 GHBA CCOC(=O)c1c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCC2 3878690 AJVKJGBGGXUSDR-UHFFFAOYSA-N 389.433 3.546 5 50 GHBA COCCNc1nn2c(=O)c3c4c(sc3nc2c2ccccc12)C[C@H](C)CC4 2106439 SIWQVTFLBCUDMF-GFCCVEGCSA-N 394.500 3.641 5 50 GHBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCCOc1ccc(Cl)cc1 4117104 FZBWDIMJHXXTPZ-UHFFFAOYSA-N 377.828 3.576 5 50 GHBA O=[N+]([O-])c1cccc(/C=C/c2nn3c(COc4ccccc4)nnc3s2)c1 4867540 UFJGHHRTOJQGRQ-MDZDMXLPSA-N 379.401 3.843 5 50 GHBA Cc1ccc(N(Sc2ccccc2[N+](=O)[O-])[C@H]2C=CS(=O)(=O)C2)cc1 1016332 WMKLYMNBNZTYRA-HNNXBMFYSA-N 376.459 3.728 5 50 GHBA C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(I)cc1 1154613 LEFLLDBLKNVHKY-SNVBAGLBSA-N 396.184 3.690 5 50 GHBA COc1cc2ccccc2cc1C(=O)NCCCNc1ccc([N+](=O)[O-])cc1 4081938 FVPBWRUTOFIZPZ-UHFFFAOYSA-N 379.416 3.989 5 50 GHBA CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 3878133 RJWXQVLZDKIJBS-BJMVGYQFSA-N 389.408 3.659 5 50 GHBA O=C(Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 5059323 OLLDBLAWNWGIIX-UHFFFAOYSA-N 397.412 3.648 5 50 GHBA COc1ccc(COc2ccccc2C(=O)Nc2ccccn2)cc1[N+](=O)[O-] 1160384 FQEIJLVONKLTMQ-UHFFFAOYSA-N 379.372 3.830 5 50 GHBA Cc1nn(Cc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)c(C)c1[N+](=O)[O-] 2806342 AWRYLABWDGEEJO-UHFFFAOYSA-N 399.414 3.714 5 50 GHBA O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cc2ccccc2oc1=O 4803541 VAUBSMVFXKIFPH-UHFFFAOYSA-N 378.262 3.972 5 50 GHBA O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1)c1cccs1 5051517 QHQLGTLGGAHKPM-VKAVYKQESA-N 399.472 3.830 5 50 GHBA O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1cccc([N+](=O)[O-])c1 2791719 AGIKROPJEMJOAL-UHFFFAOYSA-N 384.392 3.922 5 50 GHBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1cccc(O)c1 4371354 NEPVSKGTUMGMPB-CSKARUKUSA-N 375.340 3.763 5 50 GHBA Cc1n[nH]c(C)c1[C@@H]1c2ccccc2O[C@H](C(Cl)(Cl)Cl)[C@H]1[N+](=O)[O-] 12372243 ZKGPNAAQFFQKFI-IHRRRGAJSA-N 390.654 3.935 5 50 GHBA Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] 1179971 IURUSJWSKAMINF-UHFFFAOYSA-N 384.461 3.630 5 50 GHBA Cc1ccc(NC(=O)COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 4808402 CAHPYVMYUREXIV-UHFFFAOYSA-N 375.380 3.978 5 50 GHBA O=C(Nc1ccc(I)cc1)Nc1cccc([N+](=O)[O-])c1 2851871 KWYVAYSYZVIZCC-UHFFFAOYSA-N 383.145 3.843 5 50 GHBA COc1cc(C(=O)Nc2cccc(Br)c2)c([N+](=O)[O-])cc1OC 1189858 JNFRYYYYUCIPTI-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 2857274 JOUNRNDWEHVEMM-UHFFFAOYSA-N 394.836 3.907 5 50 GHBA O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 1184086 FRZUBHZWJDANNT-UHFFFAOYSA-N 384.244 3.957 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 4644669 VCYUDXWYMNRUGK-UTKZUKDTSA-N 379.416 3.863 5 50 GHBA Cc1cc(Br)ccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 1429849 LQIDSNMNXNSWEL-UHFFFAOYSA-N 395.257 3.898 5 50 GHBA Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)c1 40398736 OOWZYZWDAOCUIJ-UHFFFAOYSA-N 394.434 3.702 5 50 GHBA CCOC(=O)c1ccc(COc2cc3oc(=O)cc(C)c3cc2[N+](=O)[O-])cc1 937215 SDPCFHQHQWQJJK-UHFFFAOYSA-N 383.356 3.765 5 50 GHBA COc1cccc(NC(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)c1 1831552 HUJAWKGVPWRKIC-UHFFFAOYSA-N 385.405 3.690 5 50 GHBA O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc([N+](=O)[O-])cc1 2794544 LQBJZHSPGRDUJY-UHFFFAOYSA-N 392.202 3.794 5 50 GHBA COCc1nnc(SCc2ccc(OC)c([N+](=O)[O-])c2)n1-c1ccccc1 4842001 NJVDCICRRWPLMQ-UHFFFAOYSA-N 386.433 3.623 5 50 GHBA CC(C)(NC(=O)Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])cc1 417351712 DGVMETXHZNYZBA-QGZVFWFLSA-N 382.420 3.603 5 50 GHBA CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1113912 NKHHWLUXBXGWJC-GOSISDBHSA-N 396.472 3.643 5 50 GHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(F)c(Cl)c1 9359989 XRFWOJASTMFRBT-UHFFFAOYSA-N 380.788 3.994 5 50 GHBA Cc1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(Br)c1 4817018 YCFWBKDFTJGGMY-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5092728 VDJUMGHYNHGWNM-UHFFFAOYSA-N 394.258 3.793 5 50 GHBA CCCCO[C@H]1C[C@@H](NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C 253429567 NSMVEQDLXVAQSR-MSOLQXFVSA-N 393.484 3.505 5 50 GHBA CN(CCC(F)(F)F)c1nc(N(C)CCC(F)(F)F)c([N+](=O)[O-])s1 170591626 HOIHZHVOXRPGHE-UHFFFAOYSA-N 380.314 3.829 5 50 GHBA CCN(C(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O)c1cccc(C)c1 1067891 CZMDHXWMOBBPIE-UHFFFAOYSA-N 382.372 3.685 5 50 GHBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1Cc1cccnc1 1210891 HWABIMBYTIWUOS-UHFFFAOYSA-N 375.340 3.578 5 50 GHBA O=C(c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)N1CCOCC1 4724553 NSNNCMPNNOGJHI-UHFFFAOYSA-N 396.321 3.878 5 50 GHBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccccc3Cl)CC2)cc1 4749287 GQFICGOVVHHTIR-UHFFFAOYSA-N 376.869 3.767 5 50 GHBA CCSc1nnc2c(n1)O[C@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 1001065 NRYUVRDUGQFWQV-RCQQVGEISA-N 397.416 3.996 5 50 GHBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1075054 VZTRBUQUFRUKCV-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1)[C@@H](C)C2 2325861910 CLJHBJKUBOPGKO-IWMITWMQSA-N 379.460 3.922 5 50 GHBA CN(C)/C=C/c1c([N+](=O)[O-])nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 50399699 LPZGHKXYVXJFQW-ONEGZZNKSA-N 395.263 3.745 5 50 GHBA COc1ccccc1/C=C1/SC(=O)N(CNc2cccc([N+](=O)[O-])c2)C1=O 1029801 PWDYWHPPUGEHSK-CXUHLZMHSA-N 385.401 3.709 5 50 GHBA CC(=O)Nc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 837260 MUXUDKOBLXKSNI-UHFFFAOYSA-N 375.340 3.507 5 50 GHBA Cc1ccc(NC(=O)COc2ccc(Br)cc2C)c([N+](=O)[O-])c1 4845433 DEVYZATVCXJHEB-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA Cc1nn(C)c(C(=O)n2nc(C)c(C34CC5CC(CC(C5)C3)C4)c2C)c1[N+](=O)[O-] 6525966 UIUYOYFOHANHMR-UHFFFAOYSA-N 397.479 3.606 5 50 GHBA Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1[N+](=O)[O-] 2836922 WNIQPSFLZNZBMV-UHFFFAOYSA-N 384.417 3.608 5 50 GHBA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cn2)o1 1002204 PLKHKTFQFWROPM-UHFFFAOYSA-N 396.190 3.695 5 50 GHBA O=C(O)c1ccccc1C(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 6257825 ZLUYKCGWAAQDBD-UHFFFAOYSA-N 377.356 3.531 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 1143544 JLIYKAPINACLGL-UHFFFAOYSA-N 390.355 3.816 5 50 GHBA C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(I)cc1 1154626 ZZLVUJDKKWDYKA-SNVBAGLBSA-N 396.184 3.690 5 50 GHBA CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] 4740980 DUOKPRCPQFDNLG-UHFFFAOYSA-N 386.452 3.608 5 50 GHBA CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 4653445 IYQVCHRAODEGGF-INIZCTEOSA-N 390.823 3.981 5 50 GHBA O=C(C[C@@H]1Nc2cccc3cccc(c23)NC1=O)Nc1ccc([N+](=O)[O-])cc1 4193823 ISKHDGHPBCTELY-KRWDZBQOSA-N 376.372 3.509 5 50 GHBA O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc([N+](=O)[O-])o1 803503 RISFOGAHKHARQZ-UHFFFAOYSA-N 383.751 3.827 5 50 GHBA COc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1OC 1066374 LWHJNTXWVAQJMC-UHFFFAOYSA-N 386.433 3.700 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1[N+](=O)[O-] 3016942 YDEJQZDLVZHHHL-UHFFFAOYSA-N 397.412 3.589 5 50 GHBA COc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1OC 1192918 BYABBNHZNIGNRR-JYRVWZFOSA-N 388.763 3.610 5 50 GHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1cc(-c2ccccc2)on1 2325869704 YKZPRTNAKLKQNE-SNVBAGLBSA-N 395.400 3.746 5 50 GHBA Cc1ccc(N(Sc2ccccc2[N+](=O)[O-])[C@@H]2C=CS(=O)(=O)C2)cc1 1016330 WMKLYMNBNZTYRA-OAHLLOKOSA-N 376.459 3.728 5 50 GHBA O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 1070303 IPHAINIWHAVWKR-CYBMUJFWSA-N 398.444 3.531 5 50 GHBA CCOC(=O)c1c(C)n(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2cc(O)cc(C)c12 975460 MASRFBMAYPEWRI-GOSISDBHSA-N 398.415 3.782 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2s1 4362995 MYOLKHHBLZCGBO-UHFFFAOYSA-N 375.431 3.944 5 50 GHBA O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 4387368 FGLPQYHOPXXXFS-AWEZNQCLSA-N 377.809 3.690 5 50 GHBA CCN1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 4679334 IUEQXWALPVLROR-UHFFFAOYSA-N 383.477 3.764 5 50 GHBA NC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCC2 4892119 JOENYIRDXSAOPM-UHFFFAOYSA-N 393.852 3.930 5 50 GHBA C[C@@H]1CCc2c(sc3ncn4nc(COc5ccc([N+](=O)[O-])cc5)nc4c23)C1 2790252 GIIXFLWDBOWUFL-LLVKDONJSA-N 395.444 3.951 5 50 GHBA Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 1122632 SORFLKHXFPTQHH-UHFFFAOYSA-N 397.412 3.996 5 50 GHBA CCc1nc2ccccc2n2c(-c3cccc(C)c3)c3c(=O)n(C)c(=O)n(C)c3c12 1115398 OEIWCMCXRGDYEI-UHFFFAOYSA-N 398.466 3.576 5 50 GHBA O=c1nc(C(F)(F)F)cc(/C=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)[nH]1 13522320 XAJFKHZPWRWOTJ-ONEGZZNKSA-N 376.294 3.658 5 50 GHBA CCn1cc(CN(C)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cn1 17077507 JCTKWDQZPRZTPQ-UHFFFAOYSA-N 378.841 3.952 5 50 GHBA CCOc1ccccc1N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 55543577 HKTUFUKHMHVNTH-UHFFFAOYSA-N 375.856 3.969 5 50 GHBA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1207253 FUOCUISHQOYNHP-UHFFFAOYSA-N 393.399 3.944 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 1173697 HDWZRDNHVFKENR-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA Cc1nn(Cc2ccccc2C(=O)Nc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] 2796324 MUDUCPMRNYAQGP-UHFFFAOYSA-N 386.358 3.987 5 50 GHBA CCOc1ccc(CCNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1OCC 17079502 VRSOVBNWMSLXEV-UHFFFAOYSA-N 389.477 3.921 5 50 GHBA CCOC(=O)C1=C(C)n2c(nc3ccccc32)N[C@H]1c1cccc([N+](=O)[O-])c1 13839092 WBDZUOVIKQIGJL-SFHVURJKSA-N 378.388 3.905 5 50 GHBA Cc1nn(C)cc1CN(C)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1139062 ZZWNLDZZBLNAAT-UHFFFAOYSA-N 378.841 3.777 5 50 GHBA O=[N+]([O-])c1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(Cl)cc2)cc1 3104156 XQYJFLZKJCMCGV-FQEVSTJZSA-N 386.859 3.899 5 50 GHBA Cc1n[nH]c(O)c1[C@H](c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1c(O)n[nH]c1C 4549677 UHQNDCMQRVZGGC-UHFFFAOYSA-N 395.375 3.509 5 50 GHBA Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] 1230628 TYVIDZTZVXMWOE-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(OC1CCCCC1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 990314 UHKQJNJPWAAHQT-UHFFFAOYSA-N 394.383 3.885 5 50 GHBA Cc1cc(N2CC[C@H](OCc3cccnc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 1875264954 IUDMVBHJXFUSLF-IBGZPJMESA-N 391.431 3.551 5 50 GHBA O=[N+]([O-])c1cc2c(cc1CN1CCN3CCC[C@H]3[C@H]1C1CCCCC1)OCO2 239412384 SQECFFDNMFIDTN-LAUBAEHRSA-N 387.480 3.552 5 50 GHBA O=C1OC2(CCCCC2)OC(O)=C1c1c(F)c(F)c([N+](=O)[O-])c(F)c1F 526058547 AKXCTOVBIXKKDQ-UHFFFAOYSA-N 377.246 3.612 5 50 GHBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCC(Cc2ccccc2)CC1 1077398 UBHIWZILTSHMLN-UHFFFAOYSA-N 392.411 3.796 5 50 GHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1C(=O)O 2939503 NPEIYQWOOAUEOJ-FPYGCLRLSA-N 391.177 3.707 5 50 GHBA Cc1cc(C)cc(CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 410330337 XIRKLPLFVGUNAI-UHFFFAOYSA-N 386.433 3.544 5 50 GHBA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4593229 ZCHBRBWRSOTSIX-QGZVFWFLSA-N 386.404 3.638 5 50 GHBA O=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1 4577090 HOADLBKDJXCJRE-QGOAFFKASA-N 377.356 3.597 5 50 GHBA O=c1[nH]c(Sc2cc(Cl)c3nsnc3c2[N+](=O)[O-])nc2ccccc12 5129394 DNUZZOSVQJYDRB-UHFFFAOYSA-N 391.821 3.641 5 50 GHBA CCCc1nc2ccccc2n2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c12 1130880 BTKQLGJSOJYCJI-UHFFFAOYSA-N 398.466 3.658 5 50 GHBA O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)c1cccc([N+](=O)[O-])c1 136900678 VVKQNLZKEFDLTA-KRWDZBQOSA-N 393.424 3.767 5 50 GHBA O=[N+]([O-])c1cc2c(cc1CN1CCN3CCC[C@H]3[C@@H]1C1CCCCC1)OCO2 239412385 SQECFFDNMFIDTN-UWJYYQICSA-N 387.480 3.552 5 50 GHBA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1 878033 VVWKEAUFTHMUPG-UHFFFAOYSA-N 377.425 3.973 5 50 GHBA COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1[N+](=O)[O-] 1056196 ACVYHQXJEBVJKH-UHFFFAOYSA-N 386.795 3.754 5 50 GHBA CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1 1143190 KNDNLIFTRUMULL-UHFFFAOYSA-N 397.460 3.912 5 50 GHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ncccc3o2)cc1 1207435 QIPXFLYUNNQFIT-UHFFFAOYSA-N 390.355 3.816 5 50 GHBA CCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 2992953 RVAHDUFPUKASIN-UHFFFAOYSA-N 377.397 3.650 5 50 GHBA Cc1onc(C(=O)N2CCc3ccccc32)c1COc1ccc([N+](=O)[O-])cc1 13641458 ZVNOVSRYUAPCNG-UHFFFAOYSA-N 379.372 3.673 5 50 GHBA CCCCCc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)c(=O)o1 252441024 BEYTWKUTZQIHJF-MONBJTKQSA-N 376.517 3.938 5 50 GHBA biogenic COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2 685930 CYRGOSHIUBCKHG-UHFFFAOYSA-N 380.809 3.837 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 1140094 HOCZJXRSIXLPID-UHFFFAOYSA-N 394.412 3.939 5 50 GHBA COc1cccc(-n2c(Cc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 1151985 PWHNLYCWHNGAIF-UHFFFAOYSA-N 387.395 3.893 5 50 GHBA O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4575223 FDLASMOTIVXCJV-UHFFFAOYSA-N 397.328 3.715 5 50 GHBA Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(N)=O 651277 GHBPMVYOFGUTET-UHFFFAOYSA-N 395.440 3.907 5 50 GHBA Cc1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])c(Br)c1 1221134 HZBZCXAKSWONII-UHFFFAOYSA-N 379.166 3.616 5 50 GHBA CC[C@H](SC1=NCCS1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746417 PSWOYOBUXYJJIN-JTQLQIEISA-N 382.492 3.758 5 50 GHBA COc1cc(OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 4797199 IBJTVYOMAMHWHZ-UHFFFAOYSA-N 381.772 3.918 5 50 GHBA CN(C)[C@@H]1Cc2ccccc2N(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 225645436 RXDPZGPGWTUIJB-HXUWFJFHSA-N 394.475 3.672 5 50 GHBA O=[N+]([O-])c1cn(Cc2csc(-c3ccc4c(c3)OCO4)n2)nc1C(F)(F)F 170596271 QJODYDZSFPLVGR-UHFFFAOYSA-N 398.322 3.711 5 50 GHBA O=C1[C@@H](Cc2ccccc2)N(C2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 192407235 JLMMRNZANGPMMD-QGZVFWFLSA-N 385.807 3.791 5 50 GHBA O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 1208177 JHCIXNAKHJLLKN-UHFFFAOYSA-N 377.335 3.720 5 50 GHBA COc1cc(C=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2764870 NLOAFTNKVGIPBV-UHFFFAOYSA-N 397.137 3.879 5 50 GHBA CCOC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)sc(C)c1C 2884611 CSQKVQANKZIDEH-UHFFFAOYSA-N 395.462 3.576 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 869059 PVLYDGVVMMUIGQ-UHFFFAOYSA-N 397.460 3.738 5 50 GHBA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2737115 PISKCPPVSBLPFQ-CHWSQXEVSA-N 375.406 3.548 5 50 GHBA CSc1ccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 328597709 ITVCTFWCUFPANE-UHFFFAOYSA-N 376.818 3.910 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 4674049 AKBNWHSUKZZAPS-UHFFFAOYSA-N 384.413 3.975 5 50 GHBA O=C(O)COc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=O)cc-3oc2c1 25762856 VQKDLLIKXLDPHW-UHFFFAOYSA-N 390.347 3.726 5 50 GHBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1 1218769 PVGOONYKAGBYKI-UHFFFAOYSA-N 381.344 3.701 5 50 GHBA CN(c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1)C1CCCCC1 4844690 TZIDIKZZNMEYDP-UHFFFAOYSA-N 381.498 3.538 5 50 GHBA O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3ccc4ccccc4c3)n[nH]2)c1 434965066 CUWYLRNITZMLKZ-UHFFFAOYSA-N 394.412 3.939 5 50 GHBA CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)ccc2ccccc12 856059 XDDAGAKRKHLJCC-OAQYLSRUSA-N 378.384 3.899 5 50 GHBA Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1Cl 4706903 DYHUIOLNMLRGRB-UHFFFAOYSA-N 388.855 3.561 5 50 GHBA Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)cc2F)c(C)c1[N+](=O)[O-] 2796394 RCMZVHUQXBHNOS-UHFFFAOYSA-N 386.358 3.987 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1Br 1130417 DBWBDAGOQUFXPD-UHFFFAOYSA-N 386.585 3.995 5 50 GHBA COc1ccccc1-n1c(Cc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 1158812 AWGZVUODBRCATL-UHFFFAOYSA-N 387.395 3.893 5 50 GHBA NC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCC2 1200019 ALLSZWCFPHPUQC-UHFFFAOYSA-N 393.852 3.930 5 50 GHBA CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 1215569 YRPHEWXWDWKTSL-UHFFFAOYSA-N 375.812 3.886 5 50 GHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc(Br)c2)CC1 4715113 WBEOHSVATCZVGV-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC2(CCCCC2)[C@]1(C)O 1078405 NWRKVXKRAWHPJP-IBGZPJMESA-N 387.436 3.791 5 50 GHBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 998460 KTVAFQRDVCXTBU-UHFFFAOYSA-N 379.382 3.931 5 50 GHBA N=c1n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1 22146549 FCLOGYLGAMORAS-UHFFFAOYSA-N 386.411 3.762 5 50 GHBA CCN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC2CCCCC2)=C1C 844345 QYXSPGQVDSUOPQ-SFHVURJKSA-N 387.436 3.831 5 50 GHBA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 4684678 AKQAVMZJCCFFKK-GOSISDBHSA-N 378.388 3.797 5 50 GHBA Cc1c(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c3c(c(=O)oc12)CCC3 1121641 CDVDKJSPMJMLDM-UHFFFAOYSA-N 379.368 3.760 5 50 GHBA CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 1123788 GMUHCBJHWCGJCH-UHFFFAOYSA-N 393.193 3.673 5 50 GHBA O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4457746 JXTSOWMJLIDWSD-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 5052236 KWGALQFLWAFWKX-QPEQYQDCSA-N 391.152 3.841 5 50 GHBA CCCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 5090866 JXHVBTKOXSBQNS-UHFFFAOYSA-N 383.448 3.736 5 50 GHBA O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)OCc1ccccc1 4083994 JJQXIGGGPVIKQS-UHFFFAOYSA-N 376.364 3.774 5 50 GHBA biogenic COc1ccc2[nH]c([C@@H](C)Nc3ncc(Br)cc3[N+](=O)[O-])nc2c1 170619665 BGZPLWRDFPHZLU-MRVPVSSYSA-N 392.213 3.810 5 50 GHBA Cc1cc(N2CCC3(CC2)CN(Cc2ccccc2)C[C@H](C)O3)ncc1[N+](=O)[O-] 1875340358 XGTSZWBZSGBQLU-SFHVURJKSA-N 396.491 3.558 5 50 GHBA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc([N+](=O)[O-])cc1 2875229 VFFSHJDGGPWDEQ-UHFFFAOYSA-N 380.404 3.625 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cc1 55544088 AOCDTNWDXRXPLT-UHFFFAOYSA-N 376.254 3.680 5 50 GHBA Cc1nn(Cc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c(C)c1[N+](=O)[O-] 2806396 WPXDABUDUWNQBC-UHFFFAOYSA-N 399.414 3.714 5 50 GHBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913320 QCYNOMAFSVKENZ-QGZVFWFLSA-N 380.400 3.524 5 50 GHBA CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 4653464 GYKFGAQGPVNVEA-KRWDZBQOSA-N 390.823 3.981 5 50 GHBA CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCCC2 170637329 QXUGOFGLTWMKTA-ZWKOTPCHSA-N 396.509 3.570 5 50 GHBA COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 828075 ZJWSSSFNHQOHAA-UHFFFAOYSA-N 389.371 3.590 5 50 GHBA O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccccc1[N+](=O)[O-] 1147468 CBBBNEDZUISKOK-UHFFFAOYSA-N 379.401 3.771 5 50 GHBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(-c3cccs3)n[nH]2)c1Cl 225749961 XRRHFXXAVZLNQH-UHFFFAOYSA-N 398.853 3.809 5 50 GHBA CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 5027958 NRHZWEIOWPCRBP-UHFFFAOYSA-N 388.855 3.642 5 50 GHBA O=[N+]([O-])c1c(N2C[C@]34CCCC[C@@]3(CN(Cc3ccccc3)C4)C2)ccnc1O 1875347348 LWAARMNGMXIWMN-FGZHOGPDSA-N 394.475 3.578 5 50 GHBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C(C)=O)c1C 670963 OBAWHMDOCUIRTB-UHFFFAOYSA-N 390.417 3.905 5 50 GHBA O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 1185258 CSXRYDMWEUDRRM-UHFFFAOYSA-N 376.166 3.986 5 50 GHBA O=[N+]([O-])c1cc2c(cc1CN1CCN3CCC[C@@H]3[C@@H]1C1CCCCC1)OCO2 5032639 SQECFFDNMFIDTN-UTKZUKDTSA-N 387.480 3.552 5 50 GHBA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 3623646 GORPXRIFSFDLCR-QGZVFWFLSA-N 386.404 3.638 5 50 GHBA O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 855064 LTZLOXKSSQWBLT-OAHLLOKOSA-N 384.866 3.685 5 50 GHBA CN(C)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 169809491 CLGGVEMYHUBWRS-UHFFFAOYSA-N 390.339 3.656 5 50 GHBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 1198956 GAJKCGFSFQYWRB-UHFFFAOYSA-N 379.338 3.576 5 50 GHBA Cc1c(C(=O)O)cccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 1074782 JCHCZSNKUHUWCJ-UHFFFAOYSA-N 376.324 3.555 5 50 GHBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 4543674 KLNPVNZJCWIQSK-UHFFFAOYSA-N 396.834 3.759 5 50 GHBA in-vitro Cn1ncc2c(-c3ccc4c(c3)OCCO4)c3oc4cc(O)cc(O)c4c3nc21 409415542 OMNATVODZWOXBP-UHFFFAOYSA-N 389.367 3.717 5 50 GHBA biogenic O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 4185212 JCONHOUABHYYRS-UHFFFAOYSA-N 378.226 3.589 5 50 GHBA Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] 947760 QFSOVVQCZZNFRN-UHFFFAOYSA-N 393.365 3.884 5 50 GHBA COc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Br 4739318 FXGWUDWEVFGXPN-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 55543951 GQNPICRHPDASTE-UHFFFAOYSA-N 391.855 3.588 5 50 GHBA CCn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1C=O 2870426 XKPKAEAUJGJODZ-UHFFFAOYSA-N 384.417 3.749 5 50 GHBA Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C 1131435 XKLXTHVINVZFDE-UHFFFAOYSA-N 381.432 3.703 5 50 GHBA C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248378214 IWAMTCSQPDHOGF-MJDBTJCESA-N 394.855 3.734 5 50 GHBA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 956353 DISVLYRQKRTRLG-LJQANCHMSA-N 395.415 3.698 5 50 GHBA CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1[N+](=O)[O-] 1152283 ZGWQBBGYQZFOAA-UHFFFAOYSA-N 394.177 3.788 5 50 GHBA CSc1ccccc1NC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(Br)c1C 1070784 LJBCMMWUQMFIOE-SECBINFHSA-N 399.270 3.784 5 50 GHBA Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)SCC(=O)N2 1143137 OWMJIFZLWAKKIZ-SFHVURJKSA-N 380.429 3.864 5 50 GHBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4593241 ZCHBRBWRSOTSIX-KRWDZBQOSA-N 386.404 3.638 5 50 GHBA COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC 1191395 PKGLZIIWSVORAH-UHFFFAOYSA-N 384.432 3.707 5 50 GHBA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1171175 BAMRLDUOSXIQNX-UHFFFAOYSA-N 386.477 3.876 5 50 GHBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 1218480 SDGKRVYQTDGUFI-UHFFFAOYSA-N 381.344 3.701 5 50 GHBA CCc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 1113245 AEJVQCORJGMTPL-UHFFFAOYSA-N 386.145 3.607 5 50 GHBA O=c1oc2ccc([N+](=O)[O-])cc2c(SCCNc2ccccc2)c1[N+](=O)[O-] 3877520 XHRYDJLQHOXXDI-UHFFFAOYSA-N 387.373 3.814 5 50 GHBA Cc1nn(C(=O)c2nn(C)c(C)c2[N+](=O)[O-])c(C)c1C12CC3CC(CC(C3)C1)C2 6525964 KRWOLDCCYQTANU-UHFFFAOYSA-N 397.479 3.606 5 50 GHBA CCCCCc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)c(=O)o1 252441023 BEYTWKUTZQIHJF-DHJUGAMNSA-N 376.517 3.938 5 50 GHBA biogenic CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)oc1ccccc12 1059033 BCRVEZAIFSXGIQ-UHFFFAOYSA-N 390.355 3.660 5 50 GHBA COc1cc(C(=O)Nc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC 1188734 BWOKGQOTSSHUQD-UHFFFAOYSA-N 395.209 3.935 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)c1 2325842248 SDEPXTHOJBQSLW-UHFFFAOYSA-N 398.444 3.534 5 50 GHBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3I)o2)cc1 1204895 PCHWWVSGWYQBSG-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 845696 HDJIPMFRRVMOPK-MRXNPFEDSA-N 386.795 3.515 5 50 GHBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 4359159 RROYCCIIZVIHRD-UHFFFAOYSA-N 385.445 3.529 5 50 GHBA O=[N+]([O-])c1cccc(-c2noc(-c3cccc(I)c3)n2)c1 1119971 JAAGDSHIPMKCDI-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA O=[N+]([O-])c1ccc(N2N=N[C@@H]3CC[C@H](C4=CCCC4)[C@]32N2CCOCC2)cc1 1875390497 SDPUHQNZIASGFD-VAMGGRTRSA-N 383.452 3.699 5 50 GHBA CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 1141165 QBEVKRNBJAGMHE-UHFFFAOYSA-N 377.784 3.614 5 50 GHBA C[C@H]1CCc2c(sc3ncn4nc(COc5ccc([N+](=O)[O-])cc5)nc4c23)C1 2790251 GIIXFLWDBOWUFL-NSHDSACASA-N 395.444 3.951 5 50 GHBA O=C(c1cc2ccccc2c2cccnc12)N1CCN(c2ccc(F)cn2)CC1 225547330 JRFYFQWDTBRATG-UHFFFAOYSA-N 386.430 3.885 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4205921 PZBQESCHBWMRFT-UWJYYQICSA-N 379.416 3.863 5 50 GHBA O=C(Oc1ccccc1N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 2942707 BKUUMEPGOUSVLB-UHFFFAOYSA-N 388.335 3.615 5 50 GHBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 849417 LVAIEMHWTWOKFS-UHFFFAOYSA-N 396.230 3.991 5 50 GHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc(Br)cc2)CC1 1201294 ZWXWKJDWCRTYNP-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)Cc2nc(-c3c(F)cccc3F)cs2)c1 170617078 YIQDBYRQKBMBLR-UHFFFAOYSA-N 396.396 3.970 5 50 GHBA O=C(c1ccc2c3c(cccc13)CC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4498463 MBTAXQDQONTXRS-UHFFFAOYSA-N 387.439 3.809 5 50 GHBA CC(C)Nc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-] 4740984 INYFBQWRRNKMDV-UHFFFAOYSA-N 386.427 3.517 5 50 GHBA COc1ccc(Br)cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 4841510 AYQWHVCVLHRROW-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA COc1ccccc1-n1ccc2nc3ccn(CCC(C)C)c(=O)c3cc2c1=O 38828929 ZBKDBTFWSZRFHE-UHFFFAOYSA-N 389.455 3.755 5 50 GHBA O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)c[nH]1 2325744566 PXAPFYIRUZUDRL-GOSISDBHSA-N 385.807 3.707 5 50 GHBA CCOC(=O)C1=C(c2ccccc2)N=C(S)N[C@H]1c1ccc(C)c([N+](=O)[O-])c1 101403590 KEHPWQBDUUYCNY-SFHVURJKSA-N 397.456 3.808 5 50 GHBA Cc1nc(N2CC(C)(C)[C@@H]2c2nccn2Cc2ccccc2)ncc1[N+](=O)[O-] 952895962 YRQPWDBCZFQIGI-KRWDZBQOSA-N 378.436 3.526 5 50 GHBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 759471 VFARKXIBZAVHLX-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 4205914 PZBQESCHBWMRFT-DYESRHJHSA-N 379.416 3.863 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 4834354 NEVOGMDFHJSQOZ-JTQLQIEISA-N 395.209 3.772 5 50 GHBA COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])ccc3OC)n2C)cc1 4843255 ZJEAGOSFWDGTLO-UHFFFAOYSA-N 386.433 3.700 5 50 GHBA Cc1c(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cccc1[N+](=O)[O-] 1169750 MZACWWBKJUVYQS-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl 4573203 DPLUZKYQONQYMX-UHFFFAOYSA-N 378.856 3.963 5 50 GHBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 862926 FFIPPNAYZWMCQE-UHFFFAOYSA-N 398.806 3.623 5 50 GHBA CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1csc2ccc(Cl)cc12 170619601 OFUZMOAAFDCVSD-UHFFFAOYSA-N 383.838 3.683 5 50 GHBA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1188944 GGOWAEXYJYANJG-INIZCTEOSA-N 386.795 3.515 5 50 GHBA Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] 1134319 AKFVSSJKYYFAJH-UHFFFAOYSA-N 384.461 3.630 5 50 GHBA aggregator O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 2580686 LOGQLWSGZYINEY-OALUTQOASA-N 380.400 3.903 5 50 GHBA COc1ccc(-n2c(Cc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 1142937 NPDQHOQVXDVRKG-UHFFFAOYSA-N 387.395 3.893 5 50 GHBA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 3880636 NUFOLOVTGNXEGX-UHFFFAOYSA-N 383.429 3.694 5 50 GHBA O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@@H](c1ccccc1)c1cccnc1 728416156 GWLSKYAPJMNVRH-NRFANRHFSA-N 388.383 3.672 5 50 GHBA CCc1ccc(C(=O)N(c2ccc(=O)n(C)c2)C2CCCCC2)cc1[N+](=O)[O-] 2325708152 ABQOVEUYCQWGLY-UHFFFAOYSA-N 383.448 3.835 5 50 GHBA COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 1180094 CMUBJWWKBPQDDK-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA CC(C)(NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc([N+](=O)[O-])cc1 417351708 DGVMETXHZNYZBA-KRWDZBQOSA-N 382.420 3.603 5 50 GHBA CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 170626117 IINUUZIPYHJAOW-ZDUSSCGKSA-N 382.445 3.929 5 50 GHBA Cc1cc(I)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 1128447 ASWATXJRBZWPFH-UHFFFAOYSA-N 396.184 3.689 5 50 GHBA Cc1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 4558436 JSEQBQKZIDGOBK-UHFFFAOYSA-N 387.373 3.765 5 50 GHBA CNc1cc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 4865846 DUZBWUFEMURSEI-UHFFFAOYSA-N 388.855 3.561 5 50 GHBA Cc1noc(C)c1CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 225650558 ILZCCUVHXPLKCV-UHFFFAOYSA-N 385.251 3.829 5 50 GHBA CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)N(C)C1=S 1139135 LHYVTMFSIOLURY-PDGQHHTCSA-N 397.456 3.594 5 50 GHBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1O 754579 JDADADLFGLSIRG-UHFFFAOYSA-N 376.324 3.893 5 50 GHBA CC(C)(C)OC(=O)NCCC(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 1749974 FOEUQJXVRYIDBC-UHFFFAOYSA-N 383.400 3.766 5 50 GHBA biogenic O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 2991863 REJDZQOQGNRBIO-UHFFFAOYSA-N 375.764 3.637 5 50 GHBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1 1141287 HXYXDUVHHBKBPS-UHFFFAOYSA-N 378.837 3.872 5 50 GHBA O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Cl)c1 4949471 BJSFPMKUCGAEHR-VGOFMYFVSA-N 378.171 3.999 5 50 GHBA Cc1ccc(NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] 1117146 WRZCRUBSAIZCIX-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Br)cc1Cl 1116378 KOWHLDOSZIKODD-UHFFFAOYSA-N 381.569 3.811 5 50 GHBA Cc1ccc(S[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4759241 OAPSIHJPGQXWKL-MRXNPFEDSA-N 385.489 3.733 5 50 GHBA COc1ccc(Cl)cc1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C 2887144 GQGXEOGHQQIXOW-UHFFFAOYSA-N 387.223 3.834 5 50 GHBA CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 4723705 OCGRFZKTSXXSQI-UHFFFAOYSA-N 397.460 3.680 5 50 GHBA COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3c[nH]c4ccccc34)CC2)n1 253429884 DLSATHYBTZUPQP-UHFFFAOYSA-N 380.404 3.642 5 50 GHBA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 973452 PLGHAXZVKIYRNN-SFHVURJKSA-N 387.436 3.879 5 50 GHBA Cc1ccc(NC(=O)NCCOc2ccc(Br)cc2)c([N+](=O)[O-])c1 4799792 OAWQLBIKXWXTAV-UHFFFAOYSA-N 394.225 3.866 5 50 GHBA O=c1c2c3n(c4cc(Cl)c([N+](=O)[O-])cc4c-2nn1-c1ccccc1)CCC3 755621 DBGFSRWSBIUUSV-UHFFFAOYSA-N 380.791 3.800 5 50 GHBA COc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 817409 FZHHSHZYPLFBCT-UHFFFAOYSA-N 389.371 3.590 5 50 GHBA O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 4698976 QQAPUEBVWSGAMA-VBKFSLOCSA-N 375.340 3.952 5 50 GHBA CCNc1cc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)ccc1[N+](=O)[O-] 4703638 INDZNFYWJKSYQF-UHFFFAOYSA-N 382.464 3.551 5 50 GHBA Cc1ccc(Nc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nn2)cc1 4740932 VRNHQIJYPPBBKI-UHFFFAOYSA-N 390.447 3.763 5 50 GHBA CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 4653447 JFQJXDKLXQCEGO-INIZCTEOSA-N 390.823 3.981 5 50 GHBA CCOc1cc(CO)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1113825 WYFZEUJCRHKLFF-UHFFFAOYSA-N 382.210 3.827 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 4599992 JVZWZRTVVSJKOJ-UHFFFAOYSA-N 389.433 3.517 5 50 GHBA Cc1cc(N2CC[C@@H](OCc3cccnc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 1875264955 IUDMVBHJXFUSLF-LJQANCHMSA-N 391.431 3.551 5 50 GHBA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 8388143 DQUNKWDGFVJLPE-UHFFFAOYSA-N 384.823 3.981 5 50 GHBA COc1ccccc1NC(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 17163108 VEOXOLUCULVBBS-UHFFFAOYSA-N 385.405 3.690 5 50 GHBA O=C(C[C@@H]1Nc2cccc3cccc(c23)NC1=O)Nc1cccc([N+](=O)[O-])c1 1049888 GXWFDGFJGOZXQP-KRWDZBQOSA-N 376.372 3.509 5 50 GHBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 1172411 SQSRHCSSFHWSQF-UHFFFAOYSA-N 377.397 3.648 5 50 GHBA COc1ccc(N(C(=O)Cn2c([N+](=O)[O-])cnc2C)[C@@H](C)c2ccccc2)cc1 1078271 ZNZBLRMVIOIMQO-HNNXBMFYSA-N 394.431 3.903 5 50 GHBA O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19228851 CUJDDYGWCFJOSR-CYBMUJFWSA-N 380.659 3.507 5 50 GHBA Cc1nc(N2CC(C)(C)[C@@H]2c2nccn2-c2cccc(F)c2)ncc1[N+](=O)[O-] 952894846 RCYZXXDFHAPGCH-INIZCTEOSA-N 382.399 3.606 5 50 GHBA CC(=O)Nc1cc([N+](=O)[O-])c(N(C)S(=O)(=O)c2ccccc2)c2ccccc12 4302944 ULVJMENSOWQVSI-UHFFFAOYSA-N 399.428 3.532 5 50 GHBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccccc1[N+](=O)[O-] 2268755 FBGUUPVXADAEAB-UHFFFAOYSA-N 384.373 3.803 5 50 GHBA CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1 334163201 WOWORGXEGYNACP-GOSISDBHSA-N 396.403 3.537 5 50 GHBA COCCNc1ccc(C(=O)N2CCc3ccccc3C2(C)C)cc1[N+](=O)[O-] 170591607 YRJLZRJVLAVEHU-UHFFFAOYSA-N 383.448 3.587 5 50 GHBA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)ccc1[N+](=O)[O-] 656031 SBHRDOYBGQTBRL-UHFFFAOYSA-N 387.461 3.975 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1Cl 1141393 RUHGTSANKGHXCJ-UHFFFAOYSA-N 386.585 3.995 5 50 GHBA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 2053650 WWCIOYZORMGBTE-UHFFFAOYSA-N 377.397 3.650 5 50 GHBA Cn1c2ccccc2c2nnc(Sc3ccc4nsnc4c3[N+](=O)[O-])nc21 2887051 MOLAEJMAOSLVHB-UHFFFAOYSA-N 395.429 3.581 5 50 GHBA O=[N+]([O-])c1cc(OCc2ccccc2)ccc1NCn1nnc2ccccc21 35287523 KNZSEXNUIZGDMO-UHFFFAOYSA-N 375.388 3.988 5 50 GHBA O=C(Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1F 1744957 KHIFGMNSGYZQQF-UHFFFAOYSA-N 389.368 3.808 5 50 GHBA Cc1sc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)nc1-c1ccccc1 1875257879 PEUYVBHHMGOHOX-UHFFFAOYSA-N 397.412 3.685 5 50 GHBA COCCn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 2837767 XLKMKCBUXMMRDY-UHFFFAOYSA-N 384.461 3.716 5 50 GHBA COc1ccc(-c2noc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 334162125 JZOIFCHOMXVIQC-QGZVFWFLSA-N 396.403 3.781 5 50 GHBA COc1cc(CCN(C)C(C)=O)c2ccc3ccc(OC)c(OC(C)=O)c3c2c1 96032895 IQCNMUAWZXTDNZ-UHFFFAOYSA-N 395.455 3.956 5 50 GHBA in-vitro O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4662877 TZDUOGFYVQTBAG-UHFFFAOYSA-N 385.807 3.957 5 50 GHBA O=c1[nH]c(O)nc(/C=C\c2ccc(-c3ccccc3C(F)(F)F)o2)c1[N+](=O)[O-] 32687753 RIVPIDALPSUTDB-ALCCZGGFSA-N 393.277 3.833 5 50 GHBA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C 239222069 UHOQCUJPFQKYCY-DFHBCGBQSA-N 387.436 3.687 5 50 GHBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2 252441376 SPIFXQQJEWETEO-CLLDFNAGSA-N 394.535 3.875 5 50 GHBA biogenic Cc1cccc(OCCC(=O)N[C@H]2CC[C@H](Nc3ncccc3[N+](=O)[O-])CC2)c1 1775986901 QPPLWCVUGGNLQQ-QAQDUYKDSA-N 398.463 3.607 5 50 GHBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 831819 XHSXUARMFANTAL-UHFFFAOYSA-N 379.338 3.576 5 50 GHBA CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4548932 KULDOWIOIOZYNR-GOSISDBHSA-N 394.427 3.648 5 50 GHBA CCOC(=O)C1=C(C)n2c(nc3ccccc32)N[C@@H]1c1cccc([N+](=O)[O-])c1 13839089 WBDZUOVIKQIGJL-GOSISDBHSA-N 378.388 3.905 5 50 GHBA COC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5028007 FUDCQRMSIKGWTM-UHFFFAOYSA-N 383.404 3.624 5 50 GHBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)c1Br 4845403 IXIQNCSOSINCPY-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4845063 QEVFYWQVIHDLDI-UHFFFAOYSA-N 394.353 3.968 5 50 GHBA CCn1c(COc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 1069820 ADZYJHMZOKZOSJ-UHFFFAOYSA-N 398.444 3.760 5 50 GHBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1)NC(=O)c1ccco1 4836888 MOJMNQNNGBURCT-GHRIWEEISA-N 377.356 3.597 5 50 GHBA CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)c([N+](=O)[O-])c1 4889354 IHOWGNSDOKKWMZ-DHZHZOJOSA-N 385.445 3.828 5 50 GHBA aggregator COc1ccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1116498 HEZPDFBXHRSQSU-UHFFFAOYSA-N 389.458 3.622 5 50 GHBA O=C(CSc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1O 4869291 MVFNZLZIJMRZCF-UHFFFAOYSA-N 383.223 3.794 5 50 GHBA CCOC(=O)[C@@H](C)On1c(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cc21 1389394 XXZFOYHDEVYSHL-LLVKDONJSA-N 389.795 3.645 5 50 GHBA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 1173442 NKLKDIOGZSAOBC-UHFFFAOYSA-N 384.461 3.712 5 50 GHBA Cc1cc(C(=O)Nc2cccc(I)c2)ccc1[N+](=O)[O-] 1154908 JQPQEXKWOMLQKX-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA CCOC(=O)NC(Nc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F 3878816 ANVKUTZUSCJLKL-UHFFFAOYSA-N 375.225 3.574 5 50 GHBA CC(C)Oc1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 13322797 WDIXTIQIUUGJTE-UHFFFAOYSA-N 398.463 3.732 5 50 GHBA COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(Cl)cc3)nc12 947852 ZFSHELWBVFARNQ-UHFFFAOYSA-N 393.808 3.884 5 50 GHBA Cc1ccc([N+](=O)[O-])c(OCCCCN2CCN(Cc3ccccc3)CC2)c1 4832486 CEEAVIGKIFLXIA-UHFFFAOYSA-N 383.492 3.880 5 50 GHBA O=[N+]([O-])c1cccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1 23283530 QITPMXLLRCYSMI-UHFFFAOYSA-N 391.265 3.841 5 50 GHBA CCOC(=O)c1c(C)nc(/C=C/c2ccc([N+](=O)[O-])o2)c(Cl)c1OC(C)=O 5592834 SDXINNJGBOIZKK-FNORWQNLSA-N 394.767 3.817 5 50 GHBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Br)c1 1170050 YRHRRYFJSXXSTR-UHFFFAOYSA-N 398.213 3.623 5 50 GHBA O=C(c1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4620939 LZLAKPPJGNVMNC-UHFFFAOYSA-N 397.328 3.715 5 50 GHBA CCN(CC)c1ccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=N)oc2c1 17077720 VFAHJLQHBGPBTG-UHFFFAOYSA-N 380.404 3.919 5 50 GHBA Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1Br 674658 LAGCXCFITMXZRV-UHFFFAOYSA-N 383.173 3.822 5 50 GHBA COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1Cl 1128680 AIMQJJQNZBDKAV-UHFFFAOYSA-N 377.205 3.711 5 50 GHBA O=C(CCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] 4542680 DJDBRQZBQLBIOV-UHFFFAOYSA-N 386.364 3.641 5 50 GHBA O=[N+]([O-])c1ccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3nnnn32)cc1 101086594 OJYSWKBKAATGAY-OAHLLOKOSA-N 389.202 3.944 5 50 GHBA O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)nc2ccccn12 225442425 PWNNTAPGKPIBIT-AWEZNQCLSA-N 392.337 3.839 5 50 GHBA O=C(NCc1ccc(F)cc1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4650791 AFMMRUVXIGILNI-UHFFFAOYSA-N 398.438 3.786 5 50 GHBA O=[N+]([O-])c1ccc(OCc2nc(-c3cccc(Br)c3)no2)cc1 4868144 RLXRGYXKFUGITG-UHFFFAOYSA-N 376.166 3.986 5 50 GHBA CCN(CC)c1cc(Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c2nonc12 4754689 UNVBBULHXLTFGN-UHFFFAOYSA-N 384.396 3.679 5 50 GHBA O=C(NCc1ccc(F)cc1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809299 GIEIQBOQYIPTNP-UHFFFAOYSA-N 388.786 3.562 5 50 GHBA O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 6863364 DFTCEBZNJWTWQZ-CQSZACIVSA-N 380.784 3.812 5 50 GHBA Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Oc1cccc([N+](=O)[O-])c1C)CC2 151238595 IYHRCJFONFGBJP-NSHDSACASA-N 395.337 3.731 5 50 GHBA Cc1nsc(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)n1 225436979 WTQFTOJMLNQPBT-UHFFFAOYSA-N 389.484 3.510 5 50 GHBA Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n(-c2ccccc2)n1 493207461 CYGIDFKGCNZNPC-UHFFFAOYSA-N 386.433 3.507 5 50 GHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1N1CCCC1 1128720 AWWGLQSTTOTKIT-ZHACJKMWSA-N 396.472 3.721 5 50 GHBA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1189518 XJCOSKFDJPAPCS-INIZCTEOSA-N 386.795 3.515 5 50 GHBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)c2n[nH]c(=S)[nH]2)cc1 5049320 NDYUITKNMUIORF-GDNBJRDFSA-N 381.417 3.612 5 50 GHBA O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4187692 DJRJIVGVVLREJA-IZZDOVSWSA-N 392.459 3.531 5 50 GHBA C[C@H](C(=O)Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 1140697 KEOWTXRXKWAXSC-JTQLQIEISA-N 396.184 3.942 5 50 GHBA O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2Cl)CC1 1156244 YXEGCLRXPJZWSR-UHFFFAOYSA-N 387.823 3.739 5 50 GHBA Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(Cl)sc2c1 328596110 SLCWJHNIJFYTIW-UHFFFAOYSA-N 383.838 3.967 5 50 GHBA O=C(NC[C@@H]1CC[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869748 ZKXQTDNXIILMHK-TZMCWYRMSA-N 382.445 3.913 5 50 GHBA Cc1c(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cccc1[N+](=O)[O-] 1181665 GZNOGWHVEMPNOR-UHFFFAOYSA-N 384.461 3.630 5 50 GHBA CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1C(=O)NCc1ccccc1 4840324 RZLJLXYQCQGONH-UHFFFAOYSA-N 389.411 3.801 5 50 GHBA COc1ccc(-c2cc(C3CCN(c4ncccc4[N+](=O)[O-])CC3)n[nH]2)cc1 18154337 RXYLMVYPPGECAL-UHFFFAOYSA-N 379.420 3.773 5 50 GHBA Cc1cc2c(c(S)n1)C(=O)O/C2=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 13004867 XZPPUOAABVCOND-AUWJEWJLSA-N 380.385 3.646 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(C(=O)c2ccccc2)cc1 754564 AHSSLKVTYKSBCF-UHFFFAOYSA-N 377.352 3.810 5 50 GHBA O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 834611 WCSAJBCCTCXKJQ-SNVBAGLBSA-N 394.214 3.893 5 50 GHBA COc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1OC 5000158 FKWRPKCOMFEPKX-UHFFFAOYSA-N 388.401 3.566 5 50 GHBA O=C(COC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)cc1 1203076 UIGYNZIJBWFFQV-UHFFFAOYSA-N 382.141 3.536 5 50 GHBA O=[N+]([O-])c1ccc(C[S@@](=O)c2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 6526770 VNFNGNGWOSEGOR-SANMLTNESA-N 399.272 3.730 5 50 GHBA COc1ccc(/C=C/c2nc(C(=O)O)c(Br)s2)cc1[N+](=O)[O-] 253426226 QWBLJYOWUMOEPW-HWKANZROSA-N 385.195 3.691 5 50 GHBA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1138767 GKBDDZYGGNZNBI-GOSISDBHSA-N 396.472 3.643 5 50 GHBA O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1[C@H]2CC[C@H]1CC(O)C2 135919858 COUSJPUEYGWRHB-QWRGUYRKSA-N 376.796 3.636 5 50 GHBA O=C(Nc1cccc(N2CCCC2)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 134350479 DADOXKSCDLIBJB-UHFFFAOYSA-N 377.404 3.633 5 50 GHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 1133682 BAGFIQLAZWBLNL-UHFFFAOYSA-N 388.836 3.872 5 50 GHBA Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 2483850 GLKCOPMVOLMPAS-UHFFFAOYSA-N 375.431 3.828 5 50 GHBA O=[N+]([O-])c1c(Br)cc(Br)c(O)c1Br 1605487 IFNFSKQWRJSFRI-UHFFFAOYSA-N 375.798 3.588 5 50 GHBA CC(C)(C)OC(=O)n1cc(I)c2cc([N+](=O)[O-])ccc21 2563793 AHNPSRXYIVESJP-UHFFFAOYSA-N 388.161 3.937 5 50 GHBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13475547 MLBNTVOLHQHDMW-JQBYJRRVSA-N 396.402 3.991 5 50 GHBA biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(Br)c1 934670 FNYIKVALDCSCPL-JTQLQIEISA-N 395.209 3.772 5 50 GHBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 1172423 QNAOVKSDWCUHLF-UHFFFAOYSA-N 377.397 3.648 5 50 GHBA O=C(c1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4543676 OKTWMHLYLOHJEA-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccccc3Br)CC2)c1 865111 JNHBXCCBHXJGLL-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2ccccc2F)C1=O 170591566 HYTUQIJTANXKBF-QAPCUYQASA-N 385.439 3.840 5 50 GHBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 4560374 BFLAREVGEQQZRR-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA C[C@H](c1ccccc1)N1CCC(Nc2cc3ncnc(O)c3cc2[N+](=O)[O-])CC1 301317896 OYISKPIGLDCBNB-CQSZACIVSA-N 393.447 3.881 5 50 GHBA C[C@@]1(CN)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 261916978 YGAQCUCIBYVXPF-QFIPXVFZSA-N 391.475 3.618 5 50 GHBA COc1cc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])c(OC)cc1Cl 1157681 MYUWWBNGGBKMAE-UHFFFAOYSA-N 394.811 3.900 5 50 GHBA O=C1c2cccnc2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1205916 JEWYGGHZNFTGSR-UHFFFAOYSA-N 377.381 3.942 5 50 GHBA Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4901193 NVWVTJWJFKLLQR-UHFFFAOYSA-N 397.475 3.754 5 50 GHBA CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 4653446 IYQVCHRAODEGGF-MRXNPFEDSA-N 390.823 3.981 5 50 GHBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)CCc2ccc(F)c(F)c2)c1C 2325861869 AWQTTXCFSMNCFO-GFCCVEGCSA-N 398.431 3.789 5 50 GHBA CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1183100 ZCMQZXHBGDKQOU-UHFFFAOYSA-N 386.477 3.876 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 4205861 KDIRRJVVIGNBOM-WIYYLYMNSA-N 379.416 3.863 5 50 GHBA O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Cl)cc1Cl 1200855 UTNYSGFYUYYADJ-VGOFMYFVSA-N 381.171 3.757 5 50 GHBA O=[N+]([O-])c1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 3140682 YQSXDCRHQJXHRY-UHFFFAOYSA-N 378.388 3.681 5 50 GHBA CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc([N+](=O)[O-])c1 6265381 VLJJZILGQRJLBP-BONVTDFDSA-N 376.438 3.870 5 50 GHBA CCOC(=O)[C@H](C)On1c(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cc21 1389395 XXZFOYHDEVYSHL-NSHDSACASA-N 389.795 3.645 5 50 GHBA O=[N+]([O-])c1cccc(Nc2ncnc3ccc(I)cc23)c1 955104 SDSVCYCLMMCAGN-UHFFFAOYSA-N 392.156 3.886 5 50 GHBA Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 4140198 KYMJPRSUWSCQHC-UHFFFAOYSA-N 375.450 3.694 5 50 GHBA O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3I)n2)cc1 1131310 ORKYNRYNXGFPPW-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 2861172 VDCZLUAYYUXPPP-UHFFFAOYSA-N 381.344 3.701 5 50 GHBA O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(-c2cccc3cccnc23)o1 253630336 IRSIMEPNBCOXHQ-SOFGYWHQSA-N 376.328 3.775 5 50 GHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I 675374 HGDDUQSYWINWNW-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA CCOC(=O)C1=C(c2ccccc2)N=C(S)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 101403588 KEHPWQBDUUYCNY-GOSISDBHSA-N 397.456 3.808 5 50 GHBA CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 4558024 UHTBERSCUHNNPQ-LJQANCHMSA-N 394.427 3.648 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)o1 868710 OKELQRSNDVBUAF-UHFFFAOYSA-N 384.417 3.608 5 50 GHBA O=C(c1cc2ccccc2o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4998819 PSHWAGGXRYTNLL-UHFFFAOYSA-N 385.807 3.957 5 50 GHBA O=[N+]([O-])c1ccccc1CN1CCC(N2CCN(c3ccccc3F)CC2)CC1 4712141 UEORUNVMRNBSCX-UHFFFAOYSA-N 398.482 3.521 5 50 GHBA CC(C)[C@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccnc1 225548708 LTAHZKZDRBCZHB-NSHDSACASA-N 398.282 3.983 5 50 GHBA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N=C(S)N1C[C@@H]1CCCO1 6828937 ZGCJNLPBCLWUBG-BMANGOCTSA-N 399.428 3.503 5 50 GHBA COc1ccc2[nH]c([C@H](C)Nc3ncc(Br)cc3[N+](=O)[O-])nc2c1 170619664 BGZPLWRDFPHZLU-QMMMGPOBSA-N 392.213 3.810 5 50 GHBA COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 15010527 RXORRPNCAVWLFE-DHDCSXOGSA-N 386.385 3.546 5 50 GHBA O=C(c1cccc2ccccc12)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19789529 RSMVEYQASCDOBT-UHFFFAOYSA-N 375.428 3.706 5 50 GHBA COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 1066078 NLHKSOASBJKCDF-UHFFFAOYSA-N 381.344 3.701 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 20405667 FLJFHYPSZKQSHZ-UHFFFAOYSA-N 386.761 3.989 5 50 GHBA C[C@@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br 4560752 CXRINPODNWAEBE-NSHDSACASA-N 378.226 3.588 5 50 GHBA O=C1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 192414742 RZXITNOZMSTGEN-UHFFFAOYSA-N 379.294 3.582 5 50 GHBA CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 2697218 YXKXGUVDJGQOQT-UHFFFAOYSA-N 394.431 3.938 5 50 GHBA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 956352 DISVLYRQKRTRLG-IBGZPJMESA-N 395.415 3.698 5 50 GHBA CC(=O)Oc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 2945626 UJIDMJQKHPNQPR-PXNMLYILSA-N 386.747 3.518 5 50 GHBA COc1ccc(Cc2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)s2)cc1 1157278 ZUNGGKGLFQLMMD-JXMROGBWSA-N 396.428 3.698 5 50 GHBA COc1ccc(NC(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 1112471 FFESNFBBDBIVGG-UHFFFAOYSA-N 385.405 3.690 5 50 GHBA COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)n1cc([N+](=O)[O-])c(C)n1 408518568 OCRNTZXWTBFMHB-LJQANCHMSA-N 380.404 3.645 5 50 GHBA CCCCNc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4158472 FORFOHRRYXEDIH-UHFFFAOYSA-N 379.394 3.548 5 50 GHBA COc1ccc(NC(=O)COc2ccc(Br)cc2C)c([N+](=O)[O-])c1 4698828 CSJKLRRJELPJIE-UHFFFAOYSA-N 395.209 3.692 5 50 GHBA O=C(NC[C@H]1CCCO1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 4858011 ZVLDKJUAIXWFDS-CQSZACIVSA-N 376.796 3.949 5 50 GHBA O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1 2794585 GNIOTVIFUBGYHC-UHFFFAOYSA-N 392.202 3.794 5 50 GHBA O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1c(F)cccc1F 170659749 UQBZWOLHHNRCBA-LBPRGKRZSA-N 399.300 3.692 5 50 GHBA CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 1059525 YHRBUEORUCZJRZ-UHFFFAOYSA-N 382.445 3.772 5 50 GHBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccc([N+](=O)[O-])cc1 1908503 NESUKEVSTDJRSB-UHFFFAOYSA-N 384.373 3.803 5 50 GHBA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 993961 GCIZNEOBYBZDCL-MRVPVSSYSA-N 393.852 3.786 5 50 GHBA COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 5028053 NENJKDUAYQQRDV-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA CCc1ccccc1OCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 5013261 YLGHMCSLBHDHML-UHFFFAOYSA-N 384.417 3.840 5 50 GHBA O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1172298 WZZZSHMJZIZEMB-UHFFFAOYSA-N 383.141 3.591 5 50 GHBA CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2 939154 VZLZEAWRNLUZGY-MDZDMXLPSA-N 386.429 3.974 5 50 GHBA CCOC(=O)c1noc(COc2ccc(Oc3ccccc3)cc2[N+](=O)[O-])n1 1875308836 AFFPDIRGZYAJMI-UHFFFAOYSA-N 385.332 3.526 5 50 GHBA C[C@@H](C(=O)Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 1140698 KEOWTXRXKWAXSC-SNVBAGLBSA-N 396.184 3.942 5 50 GHBA COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC 55543767 TVSPPKUAGSFLNC-UHFFFAOYSA-N 391.855 3.588 5 50 GHBA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 241262058 LBBDLPSHYLONHA-UPLXVJCVSA-N 391.777 3.890 5 50 GHBA CC(C)(C)c1ccc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] 131452590 NRBJENCCAARZQI-HNNXBMFYSA-N 388.386 3.668 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c(C)cc(Cl)cc1Cl 5077593 XRWKPQHYWLUPOW-UHFFFAOYSA-N 389.260 3.997 5 50 GHBA O=[N+]([O-])c1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(Cl)cc2)cc1 2569239 XQYJFLZKJCMCGV-HXUWFJFHSA-N 386.859 3.899 5 50 GHBA CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 3876373 YEVVGZFLYDJWBE-UHFFFAOYSA-N 393.421 3.744 5 50 GHBA O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(C(F)(F)F)c1 4784837 RCPSKUXRJSVUAU-UHFFFAOYSA-N 376.722 3.882 5 50 GHBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@H]1[N+](=O)[O-] 239378241 OLWNCVCXQCBLHB-WNRNVDISSA-N 391.374 3.667 5 50 GHBA COc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)sc2c1 2055599 YLEHAGHOCOYJRD-UHFFFAOYSA-N 388.361 3.682 5 50 GHBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1Sc1nnnn1-c1ccccc1 4608213 QBPSNMNHDRFQHX-UHFFFAOYSA-N 382.449 3.712 5 50 GHBA O=[N+]([O-])c1cccc(-c2csc(Nc3nc(O)cc(C(F)(F)F)n3)n2)c1 4024801 AKIVFODTIJBHBY-UHFFFAOYSA-N 383.311 3.976 5 50 GHBA CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1cccc(N(C)C)c1 189009561 UPZINKOWPZEFCI-UHFFFAOYSA-N 375.856 3.905 5 50 GHBA CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 830457 PQSZFCOWIWLBPJ-UHFFFAOYSA-N 393.359 3.573 5 50 GHBA CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1142156 OXZWPSZZZKVZAN-UHFFFAOYSA-N 395.459 3.957 5 50 GHBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c(Br)c1 754561 PDERQCARAKXNEU-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc(Br)c3)CC2)c1 96100793 MAUPVJGEHGBUHE-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)o1 4427340 YXXCSMFUZAULTK-UHFFFAOYSA-N 389.987 3.965 5 50 GHBA Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 4701789 RLCRYFZDZKDFAR-UHFFFAOYSA-N 375.233 3.689 5 50 GHBA CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 6265387 VLJJZILGQRJLBP-ZUZCIYMTSA-N 376.438 3.870 5 50 GHBA Cc1c(CC(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)cccc1[N+](=O)[O-] 170593766 INCRFFKCQCDGRE-SFHVURJKSA-N 378.350 3.966 5 50 GHBA COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)n1cc([N+](=O)[O-])c(C)n1 408518567 OCRNTZXWTBFMHB-IBGZPJMESA-N 380.404 3.645 5 50 GHBA O=C(O[C@@H](c1ccccn1)c1ccccc1[N+](=O)[O-])c1ncoc1-c1ccon1 1875338810 MQOQECLPCYUMAR-QGZVFWFLSA-N 392.327 3.579 5 50 GHBA CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 5059549 FGCFYNOOLBRNNM-GOSISDBHSA-N 396.472 3.643 5 50 GHBA Nc1c(C(=O)NC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3878384 BDBSWBCURNVADB-UHFFFAOYSA-N 392.371 3.605 5 50 GHBA O=[N+]([O-])c1ccccc1CN1CCC(O)(c2ccc(Br)cc2)CC1 96876703 ZLOXHWGWBHOBHV-UHFFFAOYSA-N 391.265 3.841 5 50 GHBA CCCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 5245711 NUKOFPLJWBGBAO-OZNFINNBSA-N 393.443 3.838 5 50 GHBA O=c1n(Cc2ccccc2)c2cc(Cl)c([N+](=O)[O-])nc2n1Cc1ccccc1 844868 QLJZIYRZQXWOTR-UHFFFAOYSA-N 394.818 3.856 5 50 GHBA Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 4903145 XVEMLTZHNOHROB-INIZCTEOSA-N 398.893 3.993 5 50 GHBA Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 2830493 HFHIYPKMMHBICD-UHFFFAOYSA-N 384.417 3.992 5 50 GHBA O=C(Nc1cc(C(F)(F)F)c(Br)cc1[N+](=O)[O-])C(F)(F)F 43827447 PVDJYCKTHFOWDI-UHFFFAOYSA-N 381.026 3.877 5 50 GHBA O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 13324715 CHQHCXVBEHRBRP-UHFFFAOYSA-N 380.857 3.659 5 50 GHBA COCCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 5064657 BPEZFJITLAQHOB-UHFFFAOYSA-N 383.326 3.924 5 50 GHBA O=C(CCNc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 2521064 RPQPLOOXBFGOSS-UHFFFAOYSA-N 396.184 3.884 5 50 GHBA COc1ccc(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 17077649 ODDQKPQXTUQCHT-UHFFFAOYSA-N 379.800 3.630 5 50 GHBA COc1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 1151058 IITAPWVAOXFCSB-QPJJXVBHSA-N 392.795 3.926 5 50 GHBA COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1O 1167147 SPIUYBKYLDTJCR-CXUHLZMHSA-N 386.385 3.546 5 50 GHBA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4498416 DQUUVOHZEARTOZ-UHFFFAOYSA-N 399.756 3.628 5 50 GHBA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 64219343 WFFYUGQKEFKRAI-SFHVURJKSA-N 385.420 3.874 5 50 GHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C(C)=O)c1C 1069976 GOTGQDMTPRYMTQ-UHFFFAOYSA-N 390.417 3.905 5 50 GHBA Cc1ccc2nsnc2c1NC(=O)c1cc([N+](=O)[O-])ccc1Br 6216642 NSLKXVVQRHJFLT-UHFFFAOYSA-N 393.222 3.923 5 50 GHBA CCN(CCNc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1 4688245 OSGSBVIYWRANSH-UHFFFAOYSA-N 399.472 3.871 5 50 GHBA CSc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4889956 VPXGOSNPXCNGAI-UHFFFAOYSA-N 388.445 3.510 5 50 GHBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 2994395 MKUASIVXAXUKHI-SNVBAGLBSA-N 394.214 3.893 5 50 GHBA CC1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)CC1 5444235 PEAYTUJVFFYBDK-HKWRFOASSA-N 393.443 3.624 5 50 GHBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4703609 YKFYDGWEGRJYEF-UHFFFAOYSA-N 383.492 3.850 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 4844533 OBRSFFBHUYUFMH-LLVKDONJSA-N 399.266 3.705 5 50 GHBA CCOc1ccc(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)cc1 4978753 KAHMSWOQZLOBJQ-HUUCEWRRSA-N 384.432 3.838 5 50 GHBA O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 3883493 LOGQLWSGZYINEY-RTBURBONSA-N 380.400 3.903 5 50 GHBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccccc1 5029789 DRBUTZOSEQEONR-UHFFFAOYSA-N 389.477 3.772 5 50 GHBA CCn1c(=O)c([N+](=O)[O-])c(NCCc2ccc(OC)c(OC)c2)c2ccccc21 4264105 SHPBGXDFDVJEKA-UHFFFAOYSA-N 397.431 3.601 5 50 GHBA O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3cccc([N+](=O)[O-])c3)N12 971859 ISQONCFOXXZDJL-LJQANCHMSA-N 377.425 3.938 5 50 GHBA Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=O)c1cc2ccccc2o1 4087971 ODVYFPRFGZOTPP-UHFFFAOYSA-N 381.388 3.738 5 50 GHBA CCOc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 5119998 ULMCBKQPXBKQKN-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2c(F)cccc2F)CCCC1 170606523 LBZJHVLXGOJWPA-UHFFFAOYSA-N 375.375 3.818 5 50 GHBA O=C(OCc1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136641 SIKHTUPZULZKPY-UHFFFAOYSA-N 397.408 3.785 5 50 GHBA COCc1cc(C)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(N)c12 5069124 USQSTHQBENGQKZ-UHFFFAOYSA-N 386.433 3.802 5 50 GHBA CCOc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 831821 QZFKEXZHMHKCDN-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 973451 PLGHAXZVKIYRNN-GOSISDBHSA-N 387.436 3.879 5 50 GHBA Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 1128959 VTGDANWLQPVDIK-CYBMUJFWSA-N 397.460 3.818 5 50 GHBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4134901 MLBNTVOLHQHDMW-UJKMTWAASA-N 396.402 3.991 5 50 GHBA biogenic O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1839202 BTJLKNBXRLDBJG-UHFFFAOYSA-N 398.396 3.615 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 4685219 GOYKKEVQHUDQDH-UHFFFAOYSA-N 376.869 3.767 5 50 GHBA Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)[nH]n1 5028285 DVMPSAOLVIMIJD-UHFFFAOYSA-N 388.456 3.798 5 50 GHBA Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1Br 2058283 QPRFQQHKXZJZDR-UHFFFAOYSA-N 380.154 3.826 5 50 GHBA CC1(C(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc([N+](=O)[O-])cc2F)CC=CC1 1775993397 ZJGKGSJLLFGALB-MUJYYYPQSA-N 387.455 3.954 5 50 GHBA Cc1cc(OCC(=O)c2cccc([N+](=O)[O-])c2)c2c3c(c(=O)oc2c1)CCC3 1119766 UHYJNQCLVVOBEU-UHFFFAOYSA-N 379.368 3.760 5 50 GHBA COc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)cc1Cl 1191468 OIDUNRLFBZOTOU-UHFFFAOYSA-N 396.783 3.535 5 50 GHBA CCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 4529288 CJBWWPFIRGISAV-NSHDSACASA-N 399.618 3.528 5 50 GHBA O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4757468 MXNREMAZOYJOIX-UHFFFAOYSA-N 379.338 3.576 5 50 GHBA CN1/C(=C/[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21 100903068 JXRMRWYQQYIQGI-ONDHQXCVSA-N 391.427 3.786 5 50 GHBA aggregator Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)cc1Br 2818816 RYNJZXIIOXUNDB-UHFFFAOYSA-N 375.178 3.775 5 50 GHBA O=C(O)C[C@@H](NC(=O)CCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686323 RPNJGEIAIQNZON-QGZVFWFLSA-N 390.823 3.903 5 50 GHBA Cc1cc(Br)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 674994 FVNVTULGZQFMLB-UHFFFAOYSA-N 383.173 3.822 5 50 GHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(O)(c2ccccc2)CC1 364607005 NNXCSXHPMAMHOV-UHFFFAOYSA-N 398.462 3.805 5 50 GHBA Cc1cc(C)c2nc3s/c(=C/c4cc([N+](=O)[O-])ccc4Cl)c(=O)n3c2c1 4471511 JFWAPPSHZHZYCG-OVCLIPMQSA-N 385.832 3.635 5 50 GHBA CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(NCc3ccco3)nc21 170621904 WOMGFRVLDYUJQW-UHFFFAOYSA-N 379.380 3.703 5 50 GHBA COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(N)c12 5063538 MCQJDSBCNFSAPD-UHFFFAOYSA-N 386.433 3.802 5 50 GHBA CN(C)c1cc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c2nonc12 4918499 FZOCIAPRTBJGIK-UHFFFAOYSA-N 378.186 3.703 5 50 GHBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc(O)cc1 4142543 XCJROHKHSORARX-PKNBQFBNSA-N 375.340 3.763 5 50 GHBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 20149329 YHYUQRCGIWXAOW-QPJJXVBHSA-N 385.851 3.719 5 50 GHBA CSc1ncc2c(=O)n(-c3c(C)cccc3C)c3nc4ccccc4n3c2n1 140856786 JLHUTAPHCYEYEL-UHFFFAOYSA-N 387.468 3.920 5 50 GHBA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 1146400 SQNAKGHIFISTGI-UHFFFAOYSA-N 375.384 3.777 5 50 GHBA CCc1ccc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 1165287 HQDVUFOAXRUZHJ-UHFFFAOYSA-N 392.205 3.959 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 882017 QRSXVIFHRQLOCH-UHFFFAOYSA-N 381.413 3.883 5 50 GHBA CC1CCN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1 1230764 AEWGPQMCYWKKAB-UHFFFAOYSA-N 376.434 3.808 5 50 GHBA Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc([N+](=O)[O-])cc2)cc1 4321366 UOMUIGQEZAOBMR-LJQANCHMSA-N 379.372 3.547 5 50 GHBA CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 5059550 FGCFYNOOLBRNNM-SFHVURJKSA-N 396.472 3.643 5 50 GHBA Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc([N+](=O)[O-])c2)c1 5061376 DQXTZRFICBLDFH-CPNJWEJPSA-N 391.383 3.906 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)cc1 55543888 XKWWXAWHOAOARR-UHFFFAOYSA-N 394.244 3.819 5 50 GHBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 20149384 JGHHOCDFQYOXHN-QPJJXVBHSA-N 385.851 3.719 5 50 GHBA COc1cc(OC)cc(-c2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])o2)c1 1049401 ANYAVENELUNNSE-UHFFFAOYSA-N 387.373 3.626 5 50 GHBA CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc1C 1158659 SKPGUJCWQGYOKS-FNORWQNLSA-N 395.824 3.842 5 50 GHBA CCCCOc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)OC)cc1 4801834 OWPMXPKYTMWAJC-RGEXLXHISA-N 398.415 3.718 5 50 GHBA CCc1ccccc1NC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(Br)c1C 4810811 GCLJAOAVDHMRTG-SNVBAGLBSA-N 381.230 3.624 5 50 GHBA COc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)c([N+](=O)[O-])c1 4881538 WUZOIFLVOUFOOZ-UHFFFAOYSA-N 390.446 3.526 5 50 GHBA CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 995871 JJVDAZMEQQPHOE-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N=C(S)N1C[C@H]1CCCO1 6828939 ZGCJNLPBCLWUBG-VGVSSDJJSA-N 399.428 3.503 5 50 GHBA CN(Cc1ccc([N+](=O)[O-])cc1)C1(c2nnnn2-c2ccccc2)CCCCC1 5032359 SLTLURVHQIFODL-UHFFFAOYSA-N 392.463 3.862 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 1169735 UQZJRLZFJCGQLQ-UHFFFAOYSA-N 399.350 3.749 5 50 GHBA CCCCOc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OC)cc1 4755697 MRLHAUYURTZFNC-RGEXLXHISA-N 398.415 3.718 5 50 GHBA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2737117 PISKCPPVSBLPFQ-OLZOCXBDSA-N 375.406 3.548 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 854672 LVEDUOGXGSFLNW-UHFFFAOYSA-N 377.205 3.711 5 50 GHBA O=C(c1cc(Cl)[nH]c(=O)c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 121010241 DZJNJXIUPWBDQT-UHFFFAOYSA-N 382.203 3.647 5 50 GHBA O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1)c1ccccc1 5059156 RCJDLBPSJAGPMV-SILNSSARSA-N 393.443 3.768 5 50 GHBA COc1ccccc1N1CCN(c2cc(N3CCCC3)ccc2[N+](=O)[O-])CC1 4187697 JTMMZVAQGBLBKC-UHFFFAOYSA-N 382.464 3.530 5 50 GHBA CC(=O)c1ccc(C)c2oc3c(C)c(=O)cc(C(=O)[C@H]4CCCCO4)c-3nc12 169722668 MLGNAPZOIZDETM-QGZVFWFLSA-N 379.412 3.864 5 50 GHBA CCc1c(C)sc(NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1C(=O)OC 35884018 QTCSKYJVYMRUQV-UHFFFAOYSA-N 395.462 3.828 5 50 GHBA CCOc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 1117250 BEYBPZHFQNVBTM-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA O=C(Nc1cccc2nsnc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4624176 PKTJWQWVIJVEFW-UHFFFAOYSA-N 383.433 3.842 5 50 GHBA O=C(c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4455821 GBKARRBWOGTGFX-UHFFFAOYSA-N 379.338 3.576 5 50 GHBA COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 4993657 VMUJYIQJCSSYNZ-UHFFFAOYSA-N 377.205 3.711 5 50 GHBA O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2cccc3cccnc23)cc1Cl 328600507 XZZQLGRKFANTJM-UHFFFAOYSA-N 381.772 3.736 5 50 GHBA CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1nc2c(s1)C[C@H](c1ccccc1)CC2 170626116 IINUUZIPYHJAOW-CYBMUJFWSA-N 382.445 3.929 5 50 GHBA O=[N+]([O-])c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])o3)cs2)c([N+](=O)[O-])c1 104152749 WAHXIKBMISMSMO-UHFFFAOYSA-N 377.294 3.871 5 50 GHBA CC(=O)c1ccc(Sc2nnc3c4ccccc4n(C)c3n2)c([N+](=O)[O-])c1 1068666 XSZJWAIIPDDWMU-UHFFFAOYSA-N 379.401 3.779 5 50 GHBA O=C(NCCOc1cccc(F)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 241634563 PNLRUSSMJBDDAK-UHFFFAOYSA-N 381.363 3.605 5 50 GHBA COc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 334162076 JAVCYCGGUAATTA-KRWDZBQOSA-N 396.403 3.781 5 50 GHBA C[C@@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 3189129 XDZYHONFDXMVJA-LBPRGKRZSA-N 382.332 3.899 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 4205918 PZBQESCHBWMRFT-LAUBAEHRSA-N 379.416 3.863 5 50 GHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Sc1nnc(-c2ccco2)o1 6457098 PAFAWCSLWNANOV-UHFFFAOYSA-N 385.317 3.845 5 50 GHBA CC(=O)Nc1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1 792753 SGQWIOXUADDXFS-UHFFFAOYSA-N 375.340 3.507 5 50 GHBA COc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 4918981 IECCPHFKTVDHJI-UHFFFAOYSA-N 376.312 3.641 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 4663164 PCFLKEFADJXFKA-UHFFFAOYSA-N 389.433 3.517 5 50 GHBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cncc(Br)c1 953143 IAHNGZYPAXUBQY-UHFFFAOYSA-N 379.195 3.614 5 50 GHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(I)c1 1136028 PMPZYDRZRYGCLG-UHFFFAOYSA-N 383.141 3.556 5 50 GHBA COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1164113 QTZDIFLOENOBCD-UHFFFAOYSA-N 386.429 3.594 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 4419434 MFOQYOKTYNCVBC-NQIIRXRSSA-N 379.416 3.863 5 50 GHBA COc1ccc(C(=O)COC(=O)c2cc(C)nc3ccc(C)cc23)cc1[N+](=O)[O-] 1171027 DJOGKDSKXBUGQY-UHFFFAOYSA-N 394.383 3.808 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 4834355 NEVOGMDFHJSQOZ-SNVBAGLBSA-N 395.209 3.772 5 50 GHBA CCOc1ccccc1N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1115369 FTHFSHGJRFYWLI-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 1135087 NUXVSLFIJPIWPU-MRXNPFEDSA-N 397.456 3.776 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c1 2983684 KLJYGOKMWZXQAE-UHFFFAOYSA-N 385.397 3.942 5 50 GHBA O=[N+]([O-])c1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1 4685091 GBGOPSKRGREBRC-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC(C)C)c3)CC2)cc1 4740969 ABJGGERVJGJULV-UHFFFAOYSA-N 382.464 3.686 5 50 GHBA Cc1ccc(NC(=O)c2ccccc2I)c([N+](=O)[O-])c1 4588850 AKNMZKCIPRRQJU-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 1155287 FYQFVSIJENOJLY-UHFFFAOYSA-N 396.321 3.878 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(Br)c1 4562082 PXKUXEHPBLUOBB-UHFFFAOYSA-N 394.250 3.793 5 50 GHBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1C 676301 ZLNNXHCAINSUHX-UHFFFAOYSA-N 378.406 3.711 5 50 GHBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 1057952 JIPOZOMPNJLJOG-UHFFFAOYSA-N 394.416 3.577 5 50 GHBA CCc1ccc(OCCNc2cc(N3C[C@@H](C)N[C@H](C)C3)ccc2[N+](=O)[O-])cc1 4181056 OZGLGMXBKISLNB-IAGOWNOFSA-N 398.507 3.835 5 50 GHBA O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1cccc(Br)c1 4558019 FSZYDUWRBRSJPG-UHFFFAOYSA-N 398.644 3.853 5 50 GHBA CCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4983440 KXBVHZLKFOMNNM-UHFFFAOYSA-N 382.420 3.796 5 50 GHBA CCCN(C[C@H]1CCCCO1)C(=O)c1cc([N+](=O)[O-])ccc1Br 170622609 ITNNBEAOXGNVDW-CYBMUJFWSA-N 385.258 3.779 5 50 GHBA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1180469 CTZMQQCNIIVUJX-GOSISDBHSA-N 396.472 3.643 5 50 GHBA C[C@H](c1ccco1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 3189131 XDZYHONFDXMVJA-GFCCVEGCSA-N 382.332 3.899 5 50 GHBA O=[N+]([O-])c1ccc2c(S(=O)(=O)N3CC=C(c4cccs4)CC3)c[nH]c2c1 135487296 HDHQAFVQCYZDMK-UHFFFAOYSA-N 389.458 3.616 5 50 GHBA CC(C)[C@@H](CNC(=O)c1sc(Br)cc1[N+](=O)[O-])c1cccnc1 225548736 LTAHZKZDRBCZHB-LLVKDONJSA-N 398.282 3.983 5 50 GHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1nc2c(s1)CCCC2 45068037 KTLOQYWTQODIKU-UHFFFAOYSA-N 390.446 3.802 5 50 GHBA C[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 687078 CSSSHUPBKHWSMK-MRVPVSSYSA-N 393.852 3.786 5 50 GHBA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N=C(S)N1C[C@H]1CCCO1 20602294 OTETXXJEDBWIBO-VGVSSDJJSA-N 399.428 3.503 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 984303 MFOQYOKTYNCVBC-RXVVDRJESA-N 379.416 3.863 5 50 GHBA Cc1c(C(=O)NC(=S)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] 1181331 IUQNCZLKGZEOMU-UHFFFAOYSA-N 394.250 3.793 5 50 GHBA C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248378213 IWAMTCSQPDHOGF-HYFYGGESSA-N 394.855 3.734 5 50 GHBA C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(I)cc1 1154625 ZZLVUJDKKWDYKA-JTQLQIEISA-N 396.184 3.690 5 50 GHBA Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 2993298 CGWZNZQGKUKDOZ-UHFFFAOYSA-N 393.365 3.884 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 4715712 CIDYXJMYRBGHHO-UHFFFAOYSA-N 384.417 3.608 5 50 GHBA O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3cccc([N+](=O)[O-])c3)N12 971858 ISQONCFOXXZDJL-IBGZPJMESA-N 377.425 3.938 5 50 GHBA O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccco2)nc1NCc1ccccc1 4820913 OCVVMBSDHLGDEQ-UHFFFAOYSA-N 389.371 3.747 5 50 GHBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 17077714 LWCZIBJEHRBXAY-SFHVURJKSA-N 380.400 3.524 5 50 GHBA O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)c1cccc([N+](=O)[O-])c1 136900731 VVKQNLZKEFDLTA-QGZVFWFLSA-N 393.424 3.767 5 50 GHBA O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 170621943 FXJJSLPZKCLXSN-UHFFFAOYSA-N 384.319 3.903 5 50 GHBA CC(=O)N1C=Cc2ccccc2[C@@H]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 771225504 UYWVLMRHIZBTNN-AWEZNQCLSA-N 382.401 3.823 5 50 GHBA COc1cc(C(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 1188449 JJWMCYWEPDAQHJ-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA Cc1cn(Cc2ncc(-c3cccs3)o2)c(=O)n1-c1ccccc1[N+](=O)[O-] 1875336980 MMOBUCBJZUJANK-UHFFFAOYSA-N 382.401 3.620 5 50 GHBA CCOC(=O)NC(Nc1ccccc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 3878815 OOVAZHKTNXTDBY-UHFFFAOYSA-N 375.225 3.574 5 50 GHBA O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cccc([N+](=O)[O-])c1 2853933 POKDXRRSLLCUEU-UHFFFAOYSA-N 379.368 3.842 5 50 GHBA COc1cccc(-c2nnc(NCc3ccc([N+](=O)[O-])c(Cl)c3)o2)c1OC 170607199 JLGAEHFOIPQFJG-UHFFFAOYSA-N 390.783 3.928 5 50 GHBA CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4652613 FJDSCXSKOHKIMU-ZSWVUIPGSA-N 378.494 3.868 5 50 GHBA O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4342429 PZXSBPUCCSKZFZ-FQEVSTJZSA-N 389.411 3.575 5 50 GHBA O=C(O)c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 4054089 JDDUDCWEOXQHKU-UHFFFAOYSA-N 396.230 3.926 5 50 GHBA O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5063122 SOOOIUZVXZUUKF-UHFFFAOYSA-N 394.353 3.968 5 50 GHBA CNc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] 4858437 LUMITLRXECZEJS-UHFFFAOYSA-N 382.464 3.722 5 50 GHBA COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)c([N+](=O)[O-])cc1OC 55292314 AQIFDBXPDFEBCS-UHFFFAOYSA-N 385.464 3.551 5 50 GHBA O=C(O)C[C@@H](NC(=O)CSc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686813 RMHZJVWETYDGTA-OAHLLOKOSA-N 394.836 3.673 5 50 GHBA O=C(C[C@H]1Nc2cccc3cccc(c23)NC1=O)Nc1ccc([N+](=O)[O-])cc1 4193822 ISKHDGHPBCTELY-QGZVFWFLSA-N 376.372 3.509 5 50 GHBA CC(C)NS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c([N+](=O)[O-])c1 241144908 JUALOGUPSBPUDA-BVOVVCLWSA-N 393.509 3.518 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4205863 KDIRRJVVIGNBOM-NQIIRXRSSA-N 379.416 3.863 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1Br 4663020 DNPJQLSXWHRQTM-UHFFFAOYSA-N 394.250 3.793 5 50 GHBA CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4688246 LKQVSPPVOVUUTK-UHFFFAOYSA-N 394.475 3.694 5 50 GHBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 663385 MKGSJVQRZGVURD-UHFFFAOYSA-N 384.413 3.866 5 50 GHBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)cc1I 2856810 CJRVHFIORZGMQP-UHFFFAOYSA-N 386.145 3.662 5 50 GHBA Cc1cc(OCCCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 4832745 OZPAMOVJGIQDSE-UHFFFAOYSA-N 383.492 3.880 5 50 GHBA COC(=O)Cc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(C)c2oc1=O 1115102 FEISUNIEACALPZ-UHFFFAOYSA-N 397.383 3.613 5 50 GHBA O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1862906 GAJDPRHYSYMAFB-UHFFFAOYSA-N 383.381 3.594 5 50 GHBA CCCc1[nH]nc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)c[nH]2)c1[N+](=O)[O-] 170614370 QBXZJKUEVBTAOF-UHFFFAOYSA-N 398.467 3.714 5 50 GHBA O=C(c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4575211 YFYIEJYQTRAKRI-UHFFFAOYSA-N 381.215 3.969 5 50 GHBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Br 4507030 NDPVWURWIAPFRZ-UHFFFAOYSA-N 398.644 3.853 5 50 GHBA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 1181213 DPWXMMXXZCIFAV-FPYGCLRLSA-N 379.800 3.914 5 50 GHBA Cc1cccc(C(=O)Nc2ccc(I)cc2)c1[N+](=O)[O-] 1134655 KHRHMEYOZJGWRW-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCOC[C@@H](C2CCC2)C1 366537327 WSJAISXWLJKVFI-HNNXBMFYSA-N 387.461 3.607 5 50 GHBA O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(NCCO)nn12 1801668 RXFPUDODTVUDCH-UHFFFAOYSA-N 388.452 3.529 5 50 GHBA Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 940146 YFIIVPUMBPVITM-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12 4457831 OPVWJSWIFMUYFP-WOJGMQOQSA-N 389.392 3.625 5 50 GHBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 6828103 SIHFVHAUDUQOLV-UHFFFAOYSA-N 387.465 3.505 5 50 GHBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3ccccc3c2)CC1 19782466 COUUXKSIARJETR-UHFFFAOYSA-N 375.428 3.706 5 50 GHBA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 1005410 WOMNIOGZHOJQIN-UHFFFAOYSA-N 383.788 3.523 5 50 GHBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 1057925 PZLQPGAIJHCOJB-UHFFFAOYSA-N 390.428 3.925 5 50 GHBA Cc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 2879963 LIKIWEJFPLOJCG-UHFFFAOYSA-N 398.444 3.586 5 50 GHBA CCOC(=O)CSc1nnc(-c2cccc(C)c2[N+](=O)[O-])n1-c1ccccc1 834872 XPFSIYAWLBMYBW-UHFFFAOYSA-N 398.444 3.806 5 50 GHBA Cc1cnc(O)n1-c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1 1875336961 LNQYMLHYJFFGNE-UHFFFAOYSA-N 387.779 3.805 5 50 GHBA C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 799295 NOYRAXQUSZUONW-QMMMGPOBSA-N 393.852 3.786 5 50 GHBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4740936 MORBNAIGVZAPFJ-UHFFFAOYSA-N 385.367 3.638 5 50 GHBA C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 2809573 IIWDLYNKVSVNGO-ZDUSSCGKSA-N 384.823 3.984 5 50 GHBA Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)SCC(=O)N2 1143139 OWMJIFZLWAKKIZ-GOSISDBHSA-N 380.429 3.864 5 50 GHBA Cc1c(NC(=O)c2ccc(I)cc2)cccc1[N+](=O)[O-] 917886 YEIGRIMXXZJXQK-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)cc1Br 4833163 FLWIJULCMCNHAO-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 252675679 USQDQEIRSRCUKV-OXJNMPFZSA-N 382.464 3.969 5 50 GHBA COc1ccc(CN(C(C)(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 261494384 WHLPWCVKVDNJBC-UHFFFAOYSA-N 378.450 3.593 5 50 GHBA O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2763597 OBKNPKACPQXNKE-UHFFFAOYSA-N 398.272 3.843 5 50 GHBA O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccc([N+](=O)[O-])c1 895270 GBNPQOFDPICNCA-UHFFFAOYSA-N 382.416 3.608 5 50 GHBA N=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccc(F)cc1 5093383 FXPUPAYDQUESFB-FQDZBXFFSA-N 387.348 3.518 5 50 GHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1165416 NPZNMWFYZHUSMJ-SNVBAGLBSA-N 394.214 3.893 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 680946 PYWXUCTXPKCRON-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA O=c1oc(=O)c2ccc3c4ccc5c(=O)oc(=O)c6ccc(c7ccc1c2c73)c4c65 95736245 CLYVDMAATCIVBF-UHFFFAOYSA-N 392.322 3.546 5 50 GHBA in-vitro O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1216151 KCRABKSEFJKVQL-UHFFFAOYSA-N 378.384 3.755 5 50 GHBA O=C1NC(=O)/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)N1 1145533 LYYARUSSGPOJJK-WOJGMQOQSA-N 389.367 3.507 5 50 GHBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 5090864 ZUSCNQZSNAWNEY-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC2(CCNCC2)CC1 67757731 ADZSFHISSLOCQF-UHFFFAOYSA-N 389.499 3.677 5 50 GHBA O=Cc1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 71864011 CLJDJBUQNUQMSS-UHFFFAOYSA-N 383.141 3.591 5 50 GHBA in-vitro Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(Br)cc1 813283 SKZVDQDYWSLKCG-UHFFFAOYSA-N 375.020 3.673 5 50 GHBA O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(Cl)c1 1427692 CFIHAMJATJXKSP-OAHLLOKOSA-N 384.775 3.580 5 50 GHBA CC[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(N)=O)C1 1200359 HUECQVFQQBDJGW-LLVKDONJSA-N 387.461 3.831 5 50 GHBA O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3184364 QTUBTJSDIXJMPN-UHFFFAOYSA-N 375.384 3.777 5 50 GHBA CC(=O)Oc1cc(/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc12 5077955 OYDDLUAKENJRER-VOTSOKGWSA-N 378.340 3.967 5 50 GHBA Cc1cc(I)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 1230749 FDBHPOFQLZFQHP-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA CCCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc(C)c1C 2090898 GARHSMPHOJGYPO-UHFFFAOYSA-N 392.433 3.857 5 50 GHBA O=[N+]([O-])c1ccc(NCc2cccnc2-n2cnc3ccccc32)c([N+](=O)[O-])c1 253418861 BVTYJNACNXIFCT-UHFFFAOYSA-N 390.359 3.849 5 50 GHBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1 1188473 OWGMKAWYEKUYFU-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA CC1CCC(C(=O)N[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 4682398 QKQVGDFAAHVBDW-PVARCSIZSA-N 376.453 3.605 5 50 GHBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 766499 JYGBRVPWIRJDJI-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA COc1ccc(-c2noc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 334162124 JZOIFCHOMXVIQC-KRWDZBQOSA-N 396.403 3.781 5 50 GHBA Cc1cc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] 1134012 GFMCQBPQKHGFRW-UHFFFAOYSA-N 384.461 3.630 5 50 GHBA O=C(NC1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 6222713 JZBQHOMGPIZNJN-HKWRFOASSA-N 393.443 3.815 5 50 GHBA CCOc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)cc1 793367 KCURLRAAWKFBMU-UHFFFAOYSA-N 375.384 3.760 5 50 GHBA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc([N+](=O)[O-])c2)cc1 858344 JRIVQDYINCEWIF-IBGZPJMESA-N 379.372 3.547 5 50 GHBA O=c1c(Br)cc([N+](=O)[O-])cn1CCCc1cncc2ccccc12 170597182 JRJGEEUXIBXGCW-UHFFFAOYSA-N 388.221 3.700 5 50 GHBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 834102 HIESQGLLLZSIID-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3I)n2)c1 1134746 SYGSWLAHPDEJDL-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA Cc1ccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)cc1 17112230 KOZPSHKDJRJSMY-UHFFFAOYSA-N 385.405 3.978 5 50 GHBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 753665 OOJXRGYCZYLRDC-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1I 834213 DTUOFKKFUBYRRV-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5050025 FTHMONLSMFRJSE-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCOC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Cl 9235375 WBJGQMWRECNANN-UHFFFAOYSA-N 395.824 3.551 5 50 GHBA Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] 1130283 MLSAFQICLFGUTE-UHFFFAOYSA-N 384.461 3.630 5 50 GHBA Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1[N+](=O)[O-] 3409970 DINXXAFCLJQVKE-UHFFFAOYSA-N 383.433 3.523 5 50 GHBA Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1 955094 VBQULWNIMMANJW-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1OC 4842296 VHHWFUJXEOCRCM-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1 225565286 CCPDOKMTHYSRIZ-UHFFFAOYSA-N 387.461 3.704 5 50 GHBA O=c1[nH]c(/C=C\c2cccc(OCc3ccc(Cl)cc3)c2)nc(O)c1[N+](=O)[O-] 16361586 YKRRCSOQGXOKKP-TWGQIWQCSA-N 399.790 3.787 5 50 GHBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1I 1178809 RMWLOUKDFKCBRA-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA COc1cc(C(=O)Nc2ccccc2Br)c([N+](=O)[O-])cc1OC 1183026 JHHNVMRLBCXQIT-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA O=C(NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 4703650 KFIBMBAWEJGQRA-UHFFFAOYSA-N 385.317 3.985 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 984328 KDIRRJVVIGNBOM-GHTZIAJQSA-N 379.416 3.863 5 50 GHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 1180028 CXRBIAWRFLOEAR-UHFFFAOYSA-N 384.461 3.630 5 50 GHBA COc1cccc(C(=O)COc2cc(O)c3c(=O)c4ccccc4oc3c2)c1 4083616 TWQPZNFOCLIDJW-UHFFFAOYSA-N 376.364 3.922 5 50 GHBA biogenic CN(C)[C@H]1Cc2ccccc2N(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 225645461 RXDPZGPGWTUIJB-FQEVSTJZSA-N 394.475 3.672 5 50 GHBA O=c1c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)coc2ccc(Cl)cc12 55292348 AEBWMGUSDJFVRS-UHFFFAOYSA-N 399.834 3.677 5 50 GHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Sc1nnc(-c2cccnc2)o1 22108222 CYFXLLMQTDNDOS-UHFFFAOYSA-N 396.344 3.647 5 50 GHBA CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 4187881 MGSZHYZJLVYDGZ-UHFFFAOYSA-N 382.464 3.512 5 50 GHBA CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 1127718 CEDPFSMCFFVDFS-UHFFFAOYSA-N 377.784 3.614 5 50 GHBA O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)ccc1Cl 1423492 WUTKAICVUXMMAD-UHFFFAOYSA-N 376.722 3.882 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)/N=c2/[nH]c(-c3ccc(Cl)cc3)cs2)cc1 1514692 HQBBAWXZEPXPMX-UHFFFAOYSA-N 395.849 3.594 5 50 GHBA Cc1cccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2984779 FZFOTYHJWJFTCT-UHFFFAOYSA-N 398.415 3.747 5 50 GHBA CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc([N+](=O)[O-])c1O 15009128 RWZGMQXFAWJQMY-UHFFFAOYSA-N 387.417 3.543 5 50 GHBA COCc1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 328596085 RULUHNDJBKJYTC-UHFFFAOYSA-N 391.232 3.849 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)c(Cl)c1 1166837 HGOSLSUFSHDSEU-UHFFFAOYSA-N 375.812 3.866 5 50 GHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccccc3)nc2c1 1207187 IMKASAIHXHXTDA-FMIVXFBMSA-N 385.383 3.981 5 50 GHBA CCOC(=O)C[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1Cl 4653454 FJMPNWGLXMMOTN-OAHLLOKOSA-N 390.823 3.981 5 50 GHBA Cc1nc(=O)c(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nn1-c1ccccc1 4743281 PDCCPALGGZGNTD-UHFFFAOYSA-N 392.202 3.895 5 50 GHBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 5074004 ACNQVJAXBQUECY-UHFFFAOYSA-N 378.226 3.589 5 50 GHBA CC(C)(C)OC(=O)NC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C 225602201 CUEOEIJFRTTXID-ONOODXEBSA-N 391.468 3.664 5 50 GHBA O=C1c2ccccc2N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N1C[C@H]1CCCO1 254367817 TVIBKVCDTDPARL-ZKASZLPCSA-N 379.416 3.681 5 50 GHBA Cc1ccc(C(=O)COC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 1174474 DSMJHGJBEYWBIV-UHFFFAOYSA-N 378.178 3.705 5 50 GHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccnc3)nc2c1 1205577 IUBPZIHQJXMMJC-UHFFFAOYSA-N 390.355 3.816 5 50 GHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cc(F)c(F)cc1Cl 4046008 JSINWULXYRTFQS-LLVKDONJSA-N 395.793 3.877 5 50 GHBA C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 4549488 DIZCKQLTQLNVOH-LBPRGKRZSA-N 383.400 3.765 5 50 GHBA biogenic O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4608508 NYDQMOWOIKKKQZ-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 252426604 FODMUZXEMOEGDM-ZEZXTVPXSA-N 387.436 3.591 5 50 GHBA O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Br)cc3)n2)c1 1205911 GJTSUQJWGDNBNW-UHFFFAOYSA-N 376.166 3.986 5 50 GHBA COC(=O)[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C 4052734 LOBHPJYVIQACAR-LLVKDONJSA-N 379.291 3.521 5 50 GHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 101079802 XXTRIVLEFOABPM-UHFFFAOYSA-N 383.114 3.917 5 50 GHBA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 17077496 QIWHDXIPFMGRJY-ZDUSSCGKSA-N 378.812 3.612 5 50 GHBA CCS(=O)(=O)c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)oc2c1 1049921 SCISUEYBCINTPV-UHFFFAOYSA-N 378.431 3.822 5 50 GHBA CCc1c(C)c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2oc1=O 4845600 PPQGURKFJZZYBO-UHFFFAOYSA-N 382.372 3.590 5 50 GHBA COc1cc([N+](=O)[O-])cc2cc(C(=O)Oc3ccccc3Cl)c(=O)oc12 1069818 CEBQGADUATZLHY-UHFFFAOYSA-N 375.720 3.582 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 2850691 NCJAMDJSNRKNDL-SNVBAGLBSA-N 395.209 3.772 5 50 GHBA O=C(N/C(=C/c1ccccc1F)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 825111 NKVYWUQNTWBCFJ-XMHGGMMESA-N 397.406 3.517 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)c(Cl)c1 225464248 OVWOWCOQXDHFIB-UHFFFAOYSA-N 379.781 3.704 5 50 GHBA Cc1ccc(C(=O)c2c(NC(=O)Cn3cc([N+](=O)[O-])cn3)sc(C)c2C)cc1 461225849 KMMYTWUALGNGNU-UHFFFAOYSA-N 398.444 3.648 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 4090945 CVMKQOYGHRLUDN-RUDMXATFSA-N 391.836 3.783 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1oc2ccccc2c1C 4090567 ZFDSPYRUPBJCPE-UHFFFAOYSA-N 385.401 3.785 5 50 GHBA CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4652614 FJDSCXSKOHKIMU-DKENDCILSA-N 378.494 3.868 5 50 GHBA Cc1ccc(C(=O)c2c(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc(C)c2C)cc1 461185165 JCQBVUSVHHUBNW-UHFFFAOYSA-N 398.444 3.798 5 50 GHBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 252443969 HIKQRUATTDDDTQ-PWIIPBGMSA-N 377.444 3.751 5 50 GHBA Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] 2796469 ZBIHIUMIEXJEIB-UHFFFAOYSA-N 386.358 3.987 5 50 GHBA O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(Cc2ccccc2)CC1 19799597 JUTBXKZNDHYOPS-UHFFFAOYSA-N 398.462 3.904 5 50 GHBA Cc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 853613 UTUYMGYVCMZMGE-UHFFFAOYSA-N 384.417 3.992 5 50 GHBA Cc1ccc(CONC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 2795275 JXJCTUBOTKWNAG-UHFFFAOYSA-N 394.431 3.626 5 50 GHBA O=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1 5061432 OVUQMKXGOCLCIR-QGOAFFKASA-N 377.356 3.597 5 50 GHBA O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20606035 GAGRDFSTRUJGRZ-UHFFFAOYSA-N 383.492 3.896 5 50 GHBA O=[N+]([O-])c1cccc(C2=C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)c1 101189387 IFNIUVZOVFVIQM-OAHLLOKOSA-N 385.330 3.844 5 50 GHBA O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 3883492 LOGQLWSGZYINEY-RBUKOAKNSA-N 380.400 3.903 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 2850690 NCJAMDJSNRKNDL-JTQLQIEISA-N 395.209 3.772 5 50 GHBA O=C(c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4759811 YBCUURVNMOAQBU-KRWDZBQOSA-N 381.432 3.779 5 50 GHBA Cc1ccc(NC(=O)COc2ccc(Br)c(C)c2)c([N+](=O)[O-])c1 4817016 FZPPYINLSZBDRO-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=C(c1ccccc1)N1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 2491849 POYBRXIEWRHAQS-UHFFFAOYSA-N 394.456 3.681 5 50 GHBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccco1 2890894 DCMYNZBHDNJOSY-UHFFFAOYSA-N 375.431 3.720 5 50 GHBA O=C(Nc1ccc(F)cc1)Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1 17147100 RJNKQACFTBAESF-UHFFFAOYSA-N 389.368 3.808 5 50 GHBA O=c1c2cc3c(=O)n(Cc4ccco4)ccc3nc2ccn1CCc1ccccc1 40398850 RAKXEWCOKSLSPX-UHFFFAOYSA-N 397.434 3.595 5 50 GHBA O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccco2)nc1NCc1cccs1 4866607 HEBHQFBRSSMCCJ-UHFFFAOYSA-N 395.400 3.808 5 50 GHBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 3623648 GORPXRIFSFDLCR-KRWDZBQOSA-N 386.404 3.638 5 50 GHBA CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C)cc1 4653448 JFQJXDKLXQCEGO-MRXNPFEDSA-N 390.823 3.981 5 50 GHBA COc1cc2c(cc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1)oc1ccccc12 4686733 KTCQEVAVXWXCFL-LLVKDONJSA-N 380.360 3.899 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)ccc1OC 4689104 IKCHRESFMMRKRB-UHFFFAOYSA-N 381.182 3.627 5 50 GHBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 17077713 LWCZIBJEHRBXAY-GOSISDBHSA-N 380.400 3.524 5 50 GHBA O=[N+]([O-])c1cccc(C2=C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)c1 101189379 IFNIUVZOVFVIQM-HNNXBMFYSA-N 385.330 3.844 5 50 GHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)ccc1O 263586620 WFGSZYGJTIEBDM-UHFFFAOYSA-N 377.356 3.660 5 50 GHBA biogenic COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12 1812512 CTHLGIJMADJAFR-UHFFFAOYSA-N 399.355 3.672 5 50 GHBA biogenic Cc1nn(CCCC(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-] 1429844 SQUKGKCKOKZBPD-UHFFFAOYSA-N 399.220 3.729 5 50 GHBA CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc([N+](=O)[O-])n2)c(C(C)C)c1 2166922 XJBNCASBZVSLGO-UHFFFAOYSA-N 380.470 3.794 5 50 GHBA O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O 5065477 REWWLEHJQSKSDP-UHFFFAOYSA-N 378.340 3.918 5 50 GHBA COc1ccc(-c2c(C)nn3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)[nH]c23)cc1 100525745 SZTQHKZVTLGFSD-UHFFFAOYSA-N 376.372 3.582 5 50 GHBA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 17077495 QIWHDXIPFMGRJY-CYBMUJFWSA-N 378.812 3.612 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 984305 MFOQYOKTYNCVBC-GHTZIAJQSA-N 379.416 3.863 5 50 GHBA O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5065661 DRZNABFABALYSV-UHFFFAOYSA-N 382.397 3.627 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1C 1160545 DRRVWRKZGZCHMN-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1 4071426 UMHYMNKQXXWCPF-SNVBAGLBSA-N 395.209 3.772 5 50 GHBA N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 5027425 UIMHJXKZSBKDFD-SDQBBNPISA-N 394.206 3.756 5 50 GHBA O=C1[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1c1c(F)cccc1F 170659750 UQBZWOLHHNRCBA-GFCCVEGCSA-N 399.300 3.692 5 50 GHBA Cc1c(C(=O)OCC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 1150810 LAAACWVRMCLMDP-UHFFFAOYSA-N 378.178 3.705 5 50 GHBA Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1NC(=S)NC(=O)c1cccs1 4185618 LTAIWDBEMFJEDY-UHFFFAOYSA-N 390.490 3.692 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ccccc2Cl)CC1 4757511 WMHMLTNGORKXMI-UHFFFAOYSA-N 390.827 3.611 5 50 GHBA Cc1ccccc1OCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1C 1141331 QPVSFQOYWLAMKX-UHFFFAOYSA-N 398.444 3.586 5 50 GHBA O=C(O)C[C@H](NC(=O)CCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686321 RPNJGEIAIQNZON-KRWDZBQOSA-N 390.823 3.903 5 50 GHBA CNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] 4688321 DHSPVVMDAGNRDS-UHFFFAOYSA-N 396.491 3.896 5 50 GHBA O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 19911880 HSOZQDGLGXAATC-CYBMUJFWSA-N 380.659 3.507 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC12CC3CC(CC(C3)C1)C2 4578129 TULAIJYOCLBPBX-UHFFFAOYSA-N 378.494 3.788 5 50 GHBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4499350 XHFJBVHVGSMBSK-UHFFFAOYSA-N 397.328 3.715 5 50 GHBA CCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 5165689 JPTIMOLZRQXLRG-XMHGGMMESA-N 381.432 3.590 5 50 GHBA CC1CCN(c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2[N+](=O)[O-])CC1 4164490 GFNLYQHGXVIGSV-UHFFFAOYSA-N 378.432 3.745 5 50 GHBA O=C(CCCCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 4542679 ZLSAWEWARGDALZ-UHFFFAOYSA-N 386.364 3.641 5 50 GHBA Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 4915624 NSBGWUXSSREIFJ-UHFFFAOYSA-N 398.415 3.665 5 50 GHBA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4306764 QUBBGCNNXHXRCK-CQSZACIVSA-N 377.809 3.690 5 50 GHBA O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4750185 VMAYLIFDHBGYDX-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2 252441377 SPIFXQQJEWETEO-VAPDBKPJSA-N 394.535 3.875 5 50 GHBA biogenic COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 5041591 DAMZWOLPZRXAFQ-LLVKDONJSA-N 375.381 3.503 5 50 GHBA Cc1cccc(C(=O)NC(=S)/N=c2/[nH]c(-c3cccc([N+](=O)[O-])c3)cs2)c1 2985741 XVXQIGAWLLAFQJ-UHFFFAOYSA-N 398.469 3.575 5 50 GHBA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 252675680 USQDQEIRSRCUKV-OXQOHEQNSA-N 382.464 3.969 5 50 GHBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc1O 263585568 KDOCPDGDBDHLIN-UHFFFAOYSA-N 377.356 3.660 5 50 GHBA biogenic O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CCCCC1 2843522 IXEVBEWXIXLXBU-UHFFFAOYSA-N 381.432 3.839 5 50 GHBA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 834610 WCSAJBCCTCXKJQ-JTQLQIEISA-N 394.214 3.893 5 50 GHBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1C(=O)c1ccccc1 4998410 KIMQQTFQLGMNAA-UHFFFAOYSA-N 393.424 3.952 5 50 GHBA CC(C)(C)OC(=O)Nc1cc(Br)nc(Br)c1[N+](=O)[O-] 219949402 DNXNWBDRLDAFEX-UHFFFAOYSA-N 397.023 3.862 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 2979455 XWKNDIXWWPFKGR-UHFFFAOYSA-N 399.350 3.749 5 50 GHBA Cc1nn(Cc2ccccc2-c2nc3c4ccccc4ncn3n2)c(C)c1[N+](=O)[O-] 2806670 VAQMBUCEHJQZIM-UHFFFAOYSA-N 399.414 3.714 5 50 GHBA CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc(C)c1CC 680011 WEYFBKLGIFQGKS-SOFGYWHQSA-N 378.406 3.949 5 50 GHBA COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1163075 ADARNTYAMLWASJ-UHFFFAOYSA-N 386.429 3.594 5 50 GHBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 4011656 KMZITOSZKDEXQG-UJKMTWAASA-N 396.402 3.991 5 50 GHBA biogenic Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1Cl 4846204 DLSMYQNKUCUOEP-UHFFFAOYSA-N 388.855 3.561 5 50 GHBA CN(C)c1cccc2c(S(=O)(=O)N(C)c3cccc([N+](=O)[O-])c3)cccc12 408516918 VDCNHJAWFQERCU-UHFFFAOYSA-N 385.445 3.639 5 50 GHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 1136695 SYXPEADVVNTRGU-UHFFFAOYSA-N 383.141 3.556 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 252453057 YYRDYZJCKOOSHC-DOMZBBRYSA-N 375.450 3.829 5 50 GHBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)c(Cl)c2)CC1 2841164 PAOISXJRYUTZAA-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1Cc1ccco1 4855666 KGIHZNJJZTWKMO-UHFFFAOYSA-N 397.394 3.577 5 50 GHBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1158275 POVJWOJAUQFYHL-UHFFFAOYSA-N 378.262 3.972 5 50 GHBA NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2 994480 GQCUABMDEHUINS-UHFFFAOYSA-N 393.852 3.930 5 50 GHBA Cc1ccc(S(=O)(=O)Oc2c(C(C)C)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3137242 SGTNNNSJAKVILR-UHFFFAOYSA-N 380.378 3.703 5 50 GHBA CC(=O)c1sc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C 16399400 FNIQUXQQYWDPGM-UHFFFAOYSA-N 375.431 3.696 5 50 GHBA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1165555 HLDLBYCSKBKEGE-SFHVURJKSA-N 396.472 3.643 5 50 GHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 1230816 KJBLJLIDRXSYLK-UHFFFAOYSA-N 384.413 3.975 5 50 GHBA CC[C@H](C)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 52537631 ZRQZRNJBLVSJCK-KRWDZBQOSA-N 396.491 3.869 5 50 GHBA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] 4754651 VNEFANRCHHWAAD-UHFFFAOYSA-N 381.413 3.883 5 50 GHBA O=C(N[C@@H](c1ccccc1)c1ccco1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 111542573 HJLUFTNDMNZDLW-FQEVSTJZSA-N 389.367 3.549 5 50 GHBA C[C@H](OC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 4310075 GZUXWWUOQGODBI-AWEZNQCLSA-N 384.388 3.518 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 4685216 GGLUIYABMQZVHC-UHFFFAOYSA-N 376.869 3.767 5 50 GHBA Cc1ccc(OCc2cccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2)cn1 114246590 LMCQFPBIOCVTOT-UHFFFAOYSA-N 391.427 3.850 5 50 GHBA COC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 170615820 QFVYMZTYGJPYGQ-LLVKDONJSA-N 390.870 3.513 5 50 GHBA Cc1nnc2sc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(N)c2c1C 253427348 YNPRGBPQJNAQIL-UHFFFAOYSA-N 377.813 3.704 5 50 GHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 3832677 VIQBMZNYUMOSAW-UHFFFAOYSA-N 397.412 3.648 5 50 GHBA O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)nc2sccn12 225442367 OQHDGAGSOCOSFN-GFCCVEGCSA-N 398.366 3.901 5 50 GHBA CCCCO[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C 253429568 NSMVEQDLXVAQSR-QZTJIDSGSA-N 393.484 3.505 5 50 GHBA O=C(O)/C(NC(=O)c1ccccc1)=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21 1189827 KIMLCUKBARWZBP-VXPUYCOJSA-N 386.363 3.849 5 50 GHBA COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12 1787849 YGYNGVVKYLIIFS-UHFFFAOYSA-N 399.355 3.672 5 50 GHBA biogenic CC(=O)Nc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 1126397 YGSUOMZCJSBCEQ-UHFFFAOYSA-N 375.340 3.507 5 50 GHBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4551653 YKODGHXDJGBPQZ-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C)c1C 1904959 SCPJJYNSUKYNRY-UHFFFAOYSA-N 393.377 3.610 5 50 GHBA C[C@@H](OC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 2998746 WDWINMKWDYFFMC-CQSZACIVSA-N 384.388 3.518 5 50 GHBA COc1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc2c1OCO2 217613187 OTFWZHKEUPDZKB-UHFFFAOYSA-N 375.340 3.967 5 50 GHBA biogenic Cc1ccc(NC(=O)c2ccccc2I)cc1[N+](=O)[O-] 787461 QZZWXBUJSIOMPC-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(CSc1nc2ccccc2s1)OCC(=O)c1ccc([N+](=O)[O-])cc1 2996875 SUVCSQIVBJXYJB-UHFFFAOYSA-N 388.426 3.723 5 50 GHBA COc1ccc(Cc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 1157289 FIYHJBMFYFESMN-UHFFFAOYSA-N 384.417 3.606 5 50 GHBA C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 2809574 IIWDLYNKVSVNGO-CYBMUJFWSA-N 384.823 3.984 5 50 GHBA CC(C)NS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c([N+](=O)[O-])c1 241144909 JUALOGUPSBPUDA-JLPXDJIOSA-N 393.509 3.518 5 50 GHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 4187794 XCONJLJFFXLWEO-UHFFFAOYSA-N 398.644 3.853 5 50 GHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Br)c2cccnc12 1100049 QTZGLNAECCNEQO-UHFFFAOYSA-N 398.172 3.706 5 50 GHBA CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 3005148 ZOAWRUYLXZBPJP-UHFFFAOYSA-N 398.415 3.692 5 50 GHBA O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4342430 PZXSBPUCCSKZFZ-HXUWFJFHSA-N 389.411 3.575 5 50 GHBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccccc1)c1ccccc1 1080991 LQPPWQNNNIWEDG-UHFFFAOYSA-N 389.411 3.820 5 50 GHBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Br 2978883 QKCAXRQIMZRVMD-UHFFFAOYSA-N 398.213 3.623 5 50 GHBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 4913389 MUJWFPJUSHUCSH-GOSISDBHSA-N 380.400 3.524 5 50 GHBA COc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(OC)cc1Cl 5041581 VQYZEXDPDYGQGN-UHFFFAOYSA-N 381.772 3.918 5 50 GHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1c(Cl)ccc(F)c1F 5394018 BWMZKZIOVWTFHV-LLVKDONJSA-N 395.793 3.877 5 50 GHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1c(Cl)ccc(F)c1F 5394078 BWMZKZIOVWTFHV-NSHDSACASA-N 395.793 3.877 5 50 GHBA CCOC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845301 SQUFVHFSDIJCBT-UHFFFAOYSA-N 380.282 3.500 5 50 GHBA CCOc1ccccc1N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 4999078 OZJVWLGMCCVHIX-UHFFFAOYSA-N 386.477 3.513 5 50 GHBA Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cccc1[N+](=O)[O-] 1127124 NPEQTCYROCSRQR-UHFFFAOYSA-N 379.372 3.679 5 50 GHBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 4406379 MHZAMYOXFFXSFQ-UHFFFAOYSA-N 388.855 3.529 5 50 GHBA O=C(Cc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4997413 DQHZLVUSHZRELB-UHFFFAOYSA-N 375.428 3.639 5 50 GHBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3Br)CC2)cc1 1191907 HIRBTTYDYIBQON-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 4690428 BXFWTLICAJBSBZ-UHFFFAOYSA-N 397.460 3.738 5 50 GHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1I 1136368 OQGCWGVFJYGFCX-UHFFFAOYSA-N 383.141 3.556 5 50 GHBA O=C(OCc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 1119619 SUOCAVLOLJXHBT-UHFFFAOYSA-N 383.141 3.556 5 50 GHBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3I)o2)c1 1206031 GYWXPLVUOJUURS-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA CN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)C12CC3CC(CC(C3)C1)C2 4646395 UBWVTUKAMJTEIY-UHFFFAOYSA-N 394.475 3.880 5 50 GHBA O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2c(=O)c3ccccc3[nH]c12 770083023 LFIVSZVRBNQOSU-UHFFFAOYSA-N 399.450 3.770 5 50 GHBA CC(=O)c1cc(F)c(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1C 4498874 DGUDBCFTSJGFGF-UHFFFAOYSA-N 375.375 3.711 5 50 GHBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)c1C 2325861870 AWQTTXCFSMNCFO-LBPRGKRZSA-N 398.431 3.789 5 50 GHBA CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)/C=C/c1ccccc1 2814970 XQXYEGCXPXYHRS-OLVUBZDSSA-N 393.443 3.682 5 50 GHBA Cc1nc(N2CCOCC2)nc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] 4819127 UAZZRPNVLHZJMD-UHFFFAOYSA-N 384.223 3.580 5 50 GHBA O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc3ccccc3n12 712278 BPAWJDKARUHJJG-WQRHYEAKSA-N 389.392 3.625 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 984313 VCYUDXWYMNRUGK-LAUBAEHRSA-N 379.416 3.863 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 1760549 NFANMOXVSGIZFH-UHFFFAOYSA-N 377.161 3.643 5 50 GHBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Br)c1 942633 FYGAWHGXQNVMCA-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 4608487 RJIMLPMBUOPJIN-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA O=C(c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCO1)N1CCCc2ccccc21 4821072 KLLSSGCTCSQWBT-KRWDZBQOSA-N 381.432 3.779 5 50 GHBA CC[C@H](C)NC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 821802 WDIWMUCBMLWLDY-NSHDSACASA-N 398.444 3.985 5 50 GHBA CCOC(=O)C(C)(C)C(=O)COc1ccc(Oc2ccccc2)cc1[N+](=O)[O-] 1875309176 WGICNWPLFACDTL-UHFFFAOYSA-N 387.388 3.924 5 50 GHBA CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 170591093 GMYZOSRDLQSNOV-AORWBKJGSA-N 380.416 3.716 5 50 GHBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1 4526204 AOPAEGATMWFQAF-AQTBWJFISA-N 382.416 3.836 5 50 GHBA COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 5041590 DAMZWOLPZRXAFQ-NSHDSACASA-N 375.381 3.503 5 50 GHBA O=[N+]([O-])c1ccc(Cl)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104234953 OBUBYIZDFMOJDZ-UHFFFAOYSA-N 383.660 3.716 5 50 GHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC2(C1)Oc1ccccc1O2 365653984 GRJWHDVBHBHPKH-UHFFFAOYSA-N 398.418 3.695 5 50 GHBA NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 1055402 YGDYVKPFQMRWHS-UHFFFAOYSA-N 395.440 3.527 5 50 GHBA CCc1c(NCc2ccc(C)c([N+](=O)[O-])c2)nnn1CCc1ccc(OC)cc1 225641144 QHXSYGNZBLXOBM-UHFFFAOYSA-N 395.463 3.921 5 50 GHBA Cc1n[nH]c(C)c1[C@@H]1c2ccccc2O[C@H](C(Cl)(Cl)Cl)[C@@H]1[N+](=O)[O-] 20601833 ZKGPNAAQFFQKFI-MJBXVCDLSA-N 390.654 3.935 5 50 GHBA COc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 253470559 GOLGYVXHGBXWKC-UHFFFAOYSA-N 385.376 3.686 5 50 GHBA Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 822796 YDBMUMGYEAEOKL-UHFFFAOYSA-N 376.324 3.555 5 50 GHBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 4688232 XJVKBNRHTNHMCQ-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 4794008 QMNYTIQXBHOVAR-UHFFFAOYSA-N 388.855 3.642 5 50 GHBA CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)N=C1S 4845803 ZVUPYKLNFLGXGI-BOPFTXTBSA-N 383.429 3.663 5 50 GHBA O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccc([N+](=O)[O-])cc1 2795425 MSOCMQLSPPTUTM-UHFFFAOYSA-N 392.202 3.794 5 50 GHBA O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1 1170704 WDRZDDUVEDIGMG-UHFFFAOYSA-N 387.347 3.846 5 50 GHBA C[C@@H](OC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 4310076 GZUXWWUOQGODBI-CQSZACIVSA-N 384.388 3.518 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 4701843 MHXYPXKIYRUJNM-UHFFFAOYSA-N 382.441 3.986 5 50 GHBA CCOC(=O)c1c(C)n(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2cc(O)cc(C)c12 975459 MASRFBMAYPEWRI-SFHVURJKSA-N 398.415 3.782 5 50 GHBA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 2053651 FEDKBOVMNGEONV-UHFFFAOYSA-N 377.397 3.650 5 50 GHBA O=C(OC1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 12503068 OYYDSUSKLWTMMQ-AIZNXBIQSA-N 392.519 3.770 5 50 GHBA fda COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 1135478 HJJSRZMILWGFGS-IZZDOVSWSA-N 396.428 3.698 5 50 GHBA O=C(/C=C/c1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 1202944 KNAZQAVPKNMCTC-RMKNXTFCSA-N 394.456 3.567 5 50 GHBA COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1C(=O)O 941238 QYNIYGPHQVQMBO-UHFFFAOYSA-N 385.159 3.861 5 50 GHBA CCc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 4056358 CZCQTBLMBDCEDD-UHFFFAOYSA-N 379.210 3.937 5 50 GHBA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 4684679 AKQAVMZJCCFFKK-SFHVURJKSA-N 378.388 3.797 5 50 GHBA COc1ccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc1 4998283 OQZVCSMTRUHRKD-UHFFFAOYSA-N 378.388 3.863 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1C 1159957 HRJSSLYBCSKZTO-UHFFFAOYSA-N 395.209 3.692 5 50 GHBA Cc1cc(C(=O)Nc2ccc(I)cc2)ccc1[N+](=O)[O-] 1207424 RUKKTHBYAVOJIM-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 668622 KDOTYDMCNPEWMO-IBGZPJMESA-N 388.383 3.506 5 50 GHBA Cc1cc(-n2ccnc2)ccc1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 2325742631 YXOJCNRPXOIUPI-IBGZPJMESA-N 392.415 3.525 5 50 GHBA O=C1[C@H](Cc2ccccc2)N(C2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 192407238 JLMMRNZANGPMMD-KRWDZBQOSA-N 385.807 3.791 5 50 GHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1165415 NPZNMWFYZHUSMJ-JTQLQIEISA-N 394.214 3.893 5 50 GHBA O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 100667620 DFTCEBZNJWTWQZ-AWEZNQCLSA-N 380.784 3.812 5 50 GHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccncc2)c([N+](=O)[O-])c1Nc1ccncc1 100446126 VMHTZVQITDAJSN-UHFFFAOYSA-N 397.307 3.688 5 50 GHBA C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 4024532 DIZCKQLTQLNVOH-GFCCVEGCSA-N 383.400 3.765 5 50 GHBA biogenic COc1ccccc1-c1c(C)nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c12 100582191 RNHHGVHPIYCXJV-UHFFFAOYSA-N 376.372 3.582 5 50 GHBA CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@@H](C)O[C@H](C)C2)cc1 4978788 CFMDQLRTWIXVEB-HUUCEWRRSA-N 384.432 3.838 5 50 GHBA Cc1ccc(-c2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2C)cc1 1012058 MPSTWXYBBDDETL-UHFFFAOYSA-N 385.449 3.787 5 50 GHBA O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1Cl 735334048 RQUUUYCDKHOJNW-UHFFFAOYSA-N 394.742 3.542 5 50 GHBA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2 1113533 RQIIBNWPUZDVQE-UHFFFAOYSA-N 380.809 3.837 5 50 GHBA Cc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1Cl 4950026 FQEZCWLIYJHXDG-UHFFFAOYSA-N 389.799 3.673 5 50 GHBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Br)c1 2978914 GJNMRKXULARTPI-UHFFFAOYSA-N 398.213 3.623 5 50 GHBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 845697 HDJIPMFRRVMOPK-INIZCTEOSA-N 386.795 3.515 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl 1174773 DASUHHGXBBNORJ-UHFFFAOYSA-N 397.815 3.913 5 50 GHBA Cc1ccc(Cl)cc1Nc1cc(N2CCOCC2)c2nonc2c1[N+](=O)[O-] 4142135 FVEXHDYNBYYPIG-UHFFFAOYSA-N 389.799 3.673 5 50 GHBA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17077494 CBGPRWTWBQDICY-UHFFFAOYSA-N 378.791 3.741 5 50 GHBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)C[C@@H]1C(C)C 52507970 AHAURRPMZVUDDQ-OAQYLSRUSA-N 397.475 3.728 5 50 GHBA CN1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 436406849 DQUHRFXFIPWWGR-UHFFFAOYSA-N 383.451 3.774 5 50 GHBA Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cccc([N+](=O)[O-])c2)cc1 858345 JRIVQDYINCEWIF-LJQANCHMSA-N 379.372 3.547 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccc2)c1 1207569 LEAVGFUQOIRLSD-UHFFFAOYSA-N 391.383 3.865 5 50 GHBA CC(C)(C)N[N+](=O)c1c(Br)cc(Br)cc1[N+](=O)[O-] 255188821 LVHQICMWLMVZQH-UHFFFAOYSA-N 382.032 3.833 5 50 GHBA COc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1OC 4562021 LESVCSZYAFVPTD-UHFFFAOYSA-N 393.399 3.854 5 50 GHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1N1CCCC1 1078956 MIJUUXZIDNNUIS-UHFFFAOYSA-N 375.812 3.866 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)cc(C)c1OC 5065363 CNAGVPWTLAPNBT-UHFFFAOYSA-N 395.209 3.935 5 50 GHBA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc([N+](=O)[O-])cc21 100742400 UACQOMKZFGNRBL-UHFFFAOYSA-N 377.308 3.574 5 50 GHBA in-vitro Cc1c(C(=O)Nc2ccc(I)cc2)cccc1[N+](=O)[O-] 1230566 OQYMTQKQOFSTQB-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1 4699421 WMAHYRNVBUSOHQ-UHFFFAOYSA-N 397.460 3.912 5 50 GHBA Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)ccc1[N+](=O)[O-] 1065190 NKIZFDCSLKHIQF-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA CC[C@@H](SC1=NCCS1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746418 PSWOYOBUXYJJIN-SNVBAGLBSA-N 382.492 3.758 5 50 GHBA CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 4558023 UHTBERSCUHNNPQ-IBGZPJMESA-N 394.427 3.648 5 50 GHBA O=C(O)C[C@H](NC(=O)CSc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686809 RMHZJVWETYDGTA-HNNXBMFYSA-N 394.836 3.673 5 50 GHBA NC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 754439 BPFCBZAPZQLDQT-UHFFFAOYSA-N 379.825 3.540 5 50 GHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3ncccc3o2)c1 1207692 RWQARDZMNQFIEU-UHFFFAOYSA-N 390.355 3.816 5 50 GHBA O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 855063 LTZLOXKSSQWBLT-HNNXBMFYSA-N 384.866 3.685 5 50 GHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1227088 ZITQPJTYGMTMSE-UHFFFAOYSA-N 387.351 3.648 5 50 GHBA COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 334162077 JAVCYCGGUAATTA-QGZVFWFLSA-N 396.403 3.781 5 50 GHBA COC(=O)c1cc(N[C@@H](CO)c2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 225463139 ORZJSDXAMYQTGD-ZDUSSCGKSA-N 385.203 3.834 5 50 GHBA O=C(/C=C/c1ccc(-n2ccnc2)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 2325735071 XCJMAMMHHYPHQF-MDWZMJQESA-N 390.443 3.933 5 50 GHBA Cc1nc2sc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)nnc3c2c(C)c1Cl 1080174 YTODDJPXAHPJBK-UHFFFAOYSA-N 387.808 3.569 5 50 GHBA O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccccc1[N+](=O)[O-] 1173579 OOFQHRSUAGCQIS-UHFFFAOYSA-N 377.425 3.973 5 50 GHBA CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc1c32 1888794 WURMITIIZPFUKT-UHFFFAOYSA-N 392.367 3.539 5 50 GHBA CCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 1149357 ARXBUKUQOQENJM-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2Br)c([N+](=O)[O-])c1 104230402 MFOYYUWESCLWLB-UHFFFAOYSA-N 383.114 3.917 5 50 GHBA CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 6265241 VLJJZILGQRJLBP-MEBBXXQBSA-N 376.438 3.870 5 50 GHBA O=C(Nn1cc([N+](=O)[O-])cn1)c1ccc(COc2ccc(Cl)cc2Cl)o1 4652247 WRQSMZAUJUBLMT-UHFFFAOYSA-N 397.174 3.654 5 50 GHBA COC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 696022 HQOQFSRJVXXOQM-UHFFFAOYSA-N 390.417 3.583 5 50 GHBA NC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2 1200002 LUGDFJOKWNQJNH-UHFFFAOYSA-N 379.825 3.540 5 50 GHBA CCOC(=O)/C(CC(=O)O)=C1/c2cccc3ccc4ccc(C(=O)OC)c1c4c23 102266393 YOTFVJPECSYADQ-SILNSSARSA-N 390.391 3.933 5 50 GHBA Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc(C)c1Br 4699661 VULIGLDYEHRNMV-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCCCC1 4858287 WWFMGDBAKBXJBM-UHFFFAOYSA-N 381.432 3.792 5 50 GHBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cc1 1505135 RYTGAHMTCFDTRM-UHFFFAOYSA-N 391.630 3.812 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4205916 PZBQESCHBWMRFT-UTKZUKDTSA-N 379.416 3.863 5 50 GHBA COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 3833299 FXTQTJZNACHXQK-UHFFFAOYSA-N 377.205 3.711 5 50 GHBA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 4419433 MFOQYOKTYNCVBC-WIYYLYMNSA-N 379.416 3.863 5 50 GHBA CC(C)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 139194020 JATGITOCVMIQSZ-GOSISDBHSA-N 396.403 3.537 5 50 GHBA Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4701784 YPXASEYNPFBPEF-UHFFFAOYSA-N 398.415 3.747 5 50 GHBA CCOC(CNC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F)OCC 3128272 DSJHLOGBFGVIBH-UHFFFAOYSA-N 398.412 3.717 5 50 GHBA CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 170591094 GMYZOSRDLQSNOV-FROQITRMSA-N 380.416 3.716 5 50 GHBA O=[N+]([O-])c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O 4980402 CIQHZJDCXUEBPZ-UHFFFAOYSA-N 381.354 3.641 5 50 GHBA CC(=O)N1C=Cc2ccccc2[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 771225507 UYWVLMRHIZBTNN-CQSZACIVSA-N 382.401 3.823 5 50 GHBA CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2899628 LIASEEWTVOAEPZ-UHFFFAOYSA-N 393.421 3.744 5 50 GHBA Nc1ncnc2c1ncn2CCCOC(=O)c1c2ccccc2cc2ccccc12 109395289 FRJNVEFYRZBKJY-UHFFFAOYSA-N 397.438 3.962 5 50 GHBA O=C(N[C@H](c1ccccc1)c1ccco1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 111542576 HJLUFTNDMNZDLW-HXUWFJFHSA-N 389.367 3.549 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 4459982 GZJRPSIXBAAYOB-UHFFFAOYSA-N 395.415 3.698 5 50 GHBA Cc1ccc(N(Sc2ccc([N+](=O)[O-])cc2)[C@H]2C=CS(=O)(=O)C2)cc1 2970648 PSTOTPARBIXGJM-INIZCTEOSA-N 376.459 3.728 5 50 GHBA Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Br)c1 673703 FPISYEIKDZEPRU-UHFFFAOYSA-N 383.173 3.822 5 50 GHBA CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 997914 GKFSWHJEVXWQHN-CRALRDPISA-N 399.472 3.922 5 50 GHBA O=C1C(=O)N(CCn2c3ccccc3c3nc4ccccc4nc32)c2ccccc21 2184259 RKMMNXUFRXZNPT-UHFFFAOYSA-N 392.418 3.967 5 50 GHBA O=C(NC[C@H]1CCCO1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 1148948 RTYNGGGOBWUWSY-OAHLLOKOSA-N 376.796 3.949 5 50 GHBA COc1ccc(-c2noc(CCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 4810810 FOILXSFKKNZUQA-UHFFFAOYSA-N 382.376 3.615 5 50 GHBA CCc1cc(Br)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1116986 PDRZSNDHJARSPN-UHFFFAOYSA-N 375.178 3.720 5 50 GHBA CCOc1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 1173005 XVDZDIRXBOGMFJ-UHFFFAOYSA-N 389.433 3.519 5 50 GHBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913329 QCYNOMAFSVKENZ-KRWDZBQOSA-N 380.400 3.524 5 50 GHBA COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc([N+](=O)[O-])c1 969794 DLCUDTCWMMQWSH-UHFFFAOYSA-N 391.383 3.623 5 50 GHBA Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 1170735 XVHKSEOVFFQVSV-UHFFFAOYSA-N 378.178 3.705 5 50 GHBA CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1165556 HLDLBYCSKBKEGE-GOSISDBHSA-N 396.472 3.643 5 50 GHBA CC(C)(C)OC(=O)n1cc(I)c2c([N+](=O)[O-])cccc21 169725909 JEONRGIOYRJXGB-UHFFFAOYSA-N 388.161 3.937 5 50 GHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)c1cc(-c2ccccc2)on1 2325869703 YKZPRTNAKLKQNE-JTQLQIEISA-N 395.400 3.746 5 50 GHBA Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 4125043 MGVMJIPZUIHTRR-UHFFFAOYSA-N 393.365 3.884 5 50 GHBA O=[N+]([O-])c1cc2c(cc1CN1CCN3CCC[C@@H]3[C@H]1C1CCCCC1)OCO2 239412383 SQECFFDNMFIDTN-DYESRHJHSA-N 387.480 3.552 5 50 GHBA Cc1ccc(N(Sc2ccc([N+](=O)[O-])cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 2970647 PSTOTPARBIXGJM-MRXNPFEDSA-N 376.459 3.728 5 50 GHBA COc1cc(OC)c(NC(=O)n2cnc3ccc([N+](=O)[O-])cc32)cc1Cl 3091321 CZXOIQXUZVINLM-UHFFFAOYSA-N 376.756 3.695 5 50 GHBA O=[N+]([O-])c1ccc(C2=Nn3c(Cc4c[nH]c5ccccc45)nnc3SC2)cc1 40391112 IKRSTTAURHCRCY-UHFFFAOYSA-N 390.428 3.617 5 50 GHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccc2)c1 3832689 XBZUQBWDEMJZCA-UHFFFAOYSA-N 397.412 3.648 5 50 GHBA O=[N+]([O-])c1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1 865192 GZOBNSLAPRLFJT-UHFFFAOYSA-N 390.281 3.675 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1ccc(Cl)cc1)C(F)F 4387829 ULKRXVNTYONWGS-UHFFFAOYSA-N 376.768 3.975 5 50 GHBA COc1cc(OC)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 104217663 QHDDUOTUXYMDIV-UHFFFAOYSA-N 398.715 3.825 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 1193734 WTCXLOHEHUPIFO-HNNXBMFYSA-N 384.866 3.685 5 50 GHBA CCc1cc(Br)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 13948547 IWYNBYSWLXFCBU-UHFFFAOYSA-N 385.239 3.721 5 50 GHBA CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 1472641620 YFQULIPWGDKEMR-PCKAHOCUSA-N 395.525 3.688 5 50 GHBA O=[N+]([O-])c1ccc(CN2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 4712142 APCKMURWLMDXAR-UHFFFAOYSA-N 398.482 3.521 5 50 GHBA COc1ccccc1C(=O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2164317 MPXZSQHGYZERCT-UHFFFAOYSA-N 397.412 3.938 5 50 GHBA O=C(NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1Br 170593556 BUJBLADPXCXOCL-UHFFFAOYSA-N 383.629 3.983 5 50 GHBA O=[N+]([O-])c1cccc2c1CC[C@H]2n1cc([C@H](O)c2cc(F)ccc2Cl)nn1 2325839713 BWIAUJKJONZCSL-SJLPKXTDSA-N 388.786 3.596 5 50 GHBA Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc([N+](=O)[O-])cc2C)cc1 4321368 LDWAXAGYKPQJIQ-HXUWFJFHSA-N 393.399 3.856 5 50 GHBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4896905 WQHSYEBZMSMLKB-UHFFFAOYSA-N 395.337 3.703 5 50 GHBA CC(C)c1cnc(CS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 225683406 OYFUATKZIQWUNN-UHFFFAOYSA-N 378.328 3.699 5 50 GHBA CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4548930 KULDOWIOIOZYNR-SFHVURJKSA-N 394.427 3.648 5 50 GHBA O=C(c1cc(N2Cc3ccc(O)cc3C3(CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 462082471 DKDAAKWZKZQYCV-UHFFFAOYSA-N 393.443 3.588 5 50 GHBA CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4[N+](=O)[O-])ccc1c23 754473 NOKOBHQXTDNZFM-UHFFFAOYSA-N 397.412 3.529 5 50 GHBA CC[C@@H](C)NC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 821801 WDIWMUCBMLWLDY-LLVKDONJSA-N 398.444 3.985 5 50 GHBA O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 4404334 YSEMNCKHWQEMTC-UHFFFAOYSA-N 377.161 3.643 5 50 GHBA Cc1ccc2c(c1)CCCN2C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2800477 WKIJIWMADFYGIJ-UHFFFAOYSA-N 392.415 3.729 5 50 GHBA O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 3883491 LOGQLWSGZYINEY-MOPGFXCFSA-N 380.400 3.903 5 50 GHBA COC(=O)Cc1c(C)c2c(OCc3ccc([N+](=O)[O-])cc3)cc(C)cc2oc1=O 1050202 RRCNYMYOXUNFAW-UHFFFAOYSA-N 397.383 3.613 5 50 GHBA COc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1[N+](=O)[O-] 2860545 PUROJESXNSPKFC-UHFFFAOYSA-N 396.403 3.704 5 50 GHBA O=C(Cc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4895833 FLURPTQHQYFJCG-UHFFFAOYSA-N 393.365 3.505 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1 19536350 BNHPKPFAHAZVKI-UHFFFAOYSA-N 382.283 3.741 5 50 GHBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCCC[C@H]1C(=O)O 2737114 PISKCPPVSBLPFQ-QWHCGFSZSA-N 375.406 3.548 5 50 GHBA Cc1nn(-c2cc(N3CCCCCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 4191785 CQUVPBUCERJYIO-UHFFFAOYSA-N 378.432 3.983 5 50 GHBA COC(=O)c1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)sc(C)c1C 5041832 DGUQGDKGXQLBCV-UHFFFAOYSA-N 395.462 3.877 5 50 GHBA COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 839036 SOXJMOUHQVCMFR-MDZDMXLPSA-N 386.429 3.974 5 50 GHBA O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cccc([N+](=O)[O-])c1 2794776 MBMNLHPKIDXBSH-UHFFFAOYSA-N 392.202 3.794 5 50 GHBA O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 5028125 UJSPVPMINRAZMB-UHFFFAOYSA-N 391.383 3.865 5 50 GHBA CCCCO[C@H]1C[C@H](NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C 253429573 NSMVEQDLXVAQSR-ROUUACIJSA-N 393.484 3.505 5 50 GHBA Cc1cc([N+](=O)[O-])c(NCCOC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 4773517 LNCCTAVHFOBKBF-UHFFFAOYSA-N 379.756 3.734 5 50 GHBA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4818880 BOCLSSSADWCMJR-UHFFFAOYSA-N 399.756 3.628 5 50 GHBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Br)c1 4656999 XTEFYXSXVSZINB-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA O=C(Cn1c(=O)sc2cccc(Cl)c21)Oc1ccc(Cl)cc1[N+](=O)[O-] 5716562 NHFWYCJZWHHNHY-UHFFFAOYSA-N 399.211 3.884 5 50 GHBA Cn1cc(N2CCC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)C2)cn1 225411973 LQSRAYQXJOMGMX-KRWDZBQOSA-N 385.471 3.520 5 50 GHBA C[C@@H]1CCc2c(-c3nnc(SCn4cc([N+](=O)[O-])cn4)n3C)csc2C1 17079661 FSJMTIVCKLKOMM-SNVBAGLBSA-N 390.494 3.523 5 50 GHBA O=C(COC1CCCCC1)N[C@H]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC1 1775986860 LVVJVVUABXCOQC-SHTZXODSSA-N 393.459 3.923 5 50 GHBA CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@H](C)O[C@@H](C)C2)cc1 4978789 CFMDQLRTWIXVEB-GJZGRUSLSA-N 384.432 3.838 5 50 GHBA O=C(OCCCn1ccc([N+](=O)[O-])n1)c1cncc(-c2ccc(Cl)cc2)c1 2325738343 HXWGDNBZIVDWMZ-UHFFFAOYSA-N 386.795 3.754 5 50 GHBA O=C(c1cccc(F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 5093273 VWZOMOWLMVMXFQ-UHFFFAOYSA-N 397.328 3.715 5 50 GHBA CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCCC2 170637333 QXUGOFGLTWMKTA-QZTJIDSGSA-N 396.509 3.570 5 50 GHBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C(C)C)cc1 1429858 ILLWXMMRIDUOBO-UHFFFAOYSA-N 381.230 3.624 5 50 GHBA CCOc1cc(N2CCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] 225647709 YYZPUUMALKNKTL-UHFFFAOYSA-N 391.468 3.973 5 50 GHBA CCC(CC)c1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 2843798 AUPGJDSBZVUZMW-UHFFFAOYSA-N 380.426 3.619 5 50 GHBA O=c1[nH]c(/C=C\c2ccccc2OCc2ccccc2Cl)nc(O)c1[N+](=O)[O-] 16361513 OMYRRGHOXRZUGQ-KTKRTIGZSA-N 399.790 3.787 5 50 GHBA C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1Cl)n1cccn1 390832656 BDAIWROIFOBPGB-VLIAUNLRSA-N 398.850 3.782 5 50 GHBA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(N)=O)C1 996211 VGYLTZSPPULCLA-LLVKDONJSA-N 387.461 3.831 5 50 GHBA O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4662595 BPEOPJZHYYRXBI-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4759239 OAPSIHJPGQXWKL-INIZCTEOSA-N 385.489 3.733 5 50 GHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 2749871 XAFZCXOBCQSSKN-UHFFFAOYSA-N 385.397 3.942 5 50 GHBA CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2nc3c(cc2c1=O)CCCC3 5047379 PZXXECALZYYWRQ-UHFFFAOYSA-N 396.472 3.891 5 50 GHBA O=C(c1c(N2CCOCC2)oc2c(ccc3ccccc32)c1=O)C(F)(F)F 98213230 JLSOGEJHNCDMSW-UHFFFAOYSA-N 377.318 3.528 5 50 GHBA O=C(O[C@H](c1ccccn1)c1ccccc1[N+](=O)[O-])c1ncoc1-c1ccon1 1875338809 MQOQECLPCYUMAR-KRWDZBQOSA-N 392.327 3.579 5 50 GHBA CCOC(=O)[C@H](C)On1c(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc21 3063766 CTEGWISSCJWAIJ-NSHDSACASA-N 389.795 3.645 5 50 GHBA O=C(O[C@@H]1C(Br)=C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12)c1ccc([N+](=O)[O-])cc1 101142553 OCBPPFZOKAKNTC-XNHOIOAFSA-N 376.206 3.851 5 50 GHBA CCC[C@]1(CO)CCN(C(=O)c2c3ccccc3cc3ccccc23)C[C@H]1O 1875244363 HWWOFDZKKJGBDD-ZJSXRUAMSA-N 377.484 3.979 5 50 GHBA O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837565 SKCQCCAMHLVMFY-MRXNPFEDSA-N 375.384 3.740 5 50 GHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C)cc1Br 4037486 DPPLJVWYTULIDH-UHFFFAOYSA-N 395.209 3.692 5 50 GHBA Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc(Sc2ccncc2)cc1 123414347 RIDVJAZGOYPPEL-UHFFFAOYSA-N 384.417 3.642 5 50 GHBA O=C(OCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 1113922 GTKHFOHAZVSNOX-AQTBWJFISA-N 392.367 3.702 5 50 GHBA CCOc1cc(-c2nc3cc4c(cc3[nH]2)[n+](=O)c2ccccc2n4O)ccc1O 71785221 CGAYSXLZGXDEGY-UHFFFAOYSA-O 389.391 3.594 5 50 GHBA CC(C)(C)c1ccc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1[N+](=O)[O-] 131452818 NRBJENCCAARZQI-OAHLLOKOSA-N 388.386 3.668 5 50 GHBA O=C(c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4759814 YBCUURVNMOAQBU-QGZVFWFLSA-N 381.432 3.779 5 50 GHBA CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc([N+](=O)[O-])c1 6265235 VLJJZILGQRJLBP-BMIGLBTASA-N 376.438 3.870 5 50 GHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1I 1135898 ZJHXHKAGEZNCSH-UHFFFAOYSA-N 383.141 3.556 5 50 GHBA O=C(COc1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 4603085 DWDNAPZJUGBYMD-UHFFFAOYSA-N 381.138 3.527 5 50 GHBA CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 4653465 GYKFGAQGPVNVEA-QGZVFWFLSA-N 390.823 3.981 5 50 GHBA O=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 1172696 LWSNWZCXWXXUDO-WUXMJOGZSA-N 395.190 3.941 5 50 GHBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc(Br)cc1 19959343 KGGAZRUFEVSLDC-UHFFFAOYSA-N 391.228 3.949 5 50 GHBA O=C(C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC1CCCCC1 952017 GZIGOCVYJRDTMZ-RUZDIDTESA-N 379.356 3.597 5 50 GHBA O=[N+]([O-])c1ccc(NCCNc2nc(N3CCCC3)nc3ccccc23)cc1 4703350 IQVDUMHMUBMWKP-UHFFFAOYSA-N 378.436 3.662 5 50 GHBA CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1116272 OLJROYARFUWXRE-UHFFFAOYSA-N 394.387 3.518 5 50 GHBA Cc1nn(C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1Br 2794471 XUOUGVKXKWCUOQ-QMMMGPOBSA-N 399.220 3.585 5 50 GHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Br)cc1 1213387 LWMOGOPQLFLTAD-JXMROGBWSA-N 390.189 3.797 5 50 GHBA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2737116 PISKCPPVSBLPFQ-STQMWFEESA-N 375.406 3.548 5 50 GHBA C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccccc2F)C1=O 170591563 HYTUQIJTANXKBF-MAUKXSAKSA-N 385.439 3.840 5 50 GHBA CC[C@@](C)(O)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Br 170603198 DNVGFBCMUZICNT-QGZVFWFLSA-N 394.269 3.920 5 50 GHBA Cc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1193781 LYSAXXDQFWKUEB-UHFFFAOYSA-N 378.178 3.705 5 50 GHBA CCc1ccccc1NC(=O)[C@H](C)n1nc([N+](=O)[O-])c(Br)c1C 4810812 GCLJAOAVDHMRTG-JTQLQIEISA-N 381.230 3.624 5 50 GHBA N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 158522556 VHOWRPALKIBOTN-ZDUSSCGKSA-N 391.880 3.963 5 50 GHBA O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 668624 KDOTYDMCNPEWMO-LJQANCHMSA-N 388.383 3.506 5 50 GHBA COc1cccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c1 4978095 TVPQICCPUMRLLV-UHFFFAOYSA-N 378.388 3.863 5 50 GHBA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 241262057 LBBDLPSHYLONHA-UGQGEIBHSA-N 391.777 3.890 5 50 GHBA COc1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 1147719 GULIWBYRQYUNOY-UHFFFAOYSA-N 375.431 3.944 5 50 GHBA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 984311 VCYUDXWYMNRUGK-UWJYYQICSA-N 379.416 3.863 5 50 GHBA O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 1120638 YIDKPQVXRMNTTD-UHFFFAOYSA-N 378.837 3.872 5 50 GHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@]2(C1)OCc1ccccc12 377061642 MUHCJYFBWWAMFY-RUZDIDTESA-N 396.446 3.953 5 50 GHBA COC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 668431 LRRVVIKCKMWBHK-UHFFFAOYSA-N 388.445 3.893 5 50 GHBA Cc1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 1125190 DFXOLMXXSSDPOL-UHFFFAOYSA-N 393.365 3.884 5 50 GHBA COc1cc(C(=O)O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 227156715 LPIFLTBJVGVMQH-UHFFFAOYSA-N 382.166 3.643 5 50 GHBA O=C(c1cc2ccccc2c2cccnc12)N1CCn2c(nnc2C(F)(F)F)C1 225407449 UZFIOZWOWQKVMW-UHFFFAOYSA-N 397.360 3.654 5 50 GHBA Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 2796411 WSDAOJTUWGOXRE-UHFFFAOYSA-N 390.749 3.592 5 50 GHBA O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 19911878 HSOZQDGLGXAATC-ZDUSSCGKSA-N 380.659 3.507 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 4844905 MNVGFHVWHQOMOJ-UHFFFAOYSA-N 383.429 3.690 5 50 GHBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 641758 SOLJYTHVUUYNQQ-UHFFFAOYSA-N 382.441 3.986 5 50 GHBA CC(C)(C)NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 13119738 KLJUMRRTURTMGG-JAXWBCMNSA-N 393.443 3.837 5 50 GHBA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 956355 FZDGWIHQEUEJPL-LJQANCHMSA-N 395.415 3.698 5 50 GHBA Cc1c(NS(=O)(=O)c2ccc(Br)s2)cccc1[N+](=O)[O-] 1117398 FIXZMLVMVHTDPA-UHFFFAOYSA-N 377.241 3.528 5 50 GHBA C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2ccccc2F)C1=O 170591564 HYTUQIJTANXKBF-CRAIPNDOSA-N 385.439 3.840 5 50 GHBA C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1Cl)n1cccn1 390832655 BDAIWROIFOBPGB-JLTOFOAXSA-N 398.850 3.782 5 50 GHBA O=[N+]([O-])c1c(N2C[C@@]34CCCC[C@]3(CN(Cc3ccccc3)C4)C2)ccnc1O 1875347350 LWAARMNGMXIWMN-VXKWHMMOSA-N 394.475 3.578 5 50 GHBA CSc1cccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 1134939 DEJFEMQOGGLYEG-UHFFFAOYSA-N 399.472 3.808 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccnc3)nc2c1 1167235 BHTNTUTVAPATTI-UHFFFAOYSA-N 390.355 3.816 5 50 GHBA COC(=O)c1cc(C(=O)Nc2ccc(Br)c(C)c2)cc([N+](=O)[O-])c1 1097984 DUTDUNUFPADAEU-UHFFFAOYSA-N 393.193 3.705 5 50 GHBA Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1214138 JTPVYYMJQNPEDF-UHFFFAOYSA-N 389.458 3.796 5 50 GHBA CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 4187924 RVVQRBZLMDJOCP-MRXNPFEDSA-N 382.464 3.827 5 50 GHBA CCOc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OCC 1194882 RGQNVUQRBFBDKO-UHFFFAOYSA-N 389.404 3.835 5 50 GHBA Cc1ccc(NC(=O)C(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])nc1 225730137 DPRBGIRKFIWQJD-UHFFFAOYSA-N 393.241 3.890 5 50 GHBA COc1ccc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1Cl 4572930 JHZQCOUGVDJRJO-UHFFFAOYSA-N 384.219 3.752 5 50 GHBA O=C(c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4701240 CLGIXLWKOPGKIQ-UHFFFAOYSA-N 381.215 3.969 5 50 GHBA O=C(C[C@H]1Nc2cccc3cccc(c23)NC1=O)Nc1cccc([N+](=O)[O-])c1 1049890 GXWFDGFJGOZXQP-QGZVFWFLSA-N 376.372 3.509 5 50 GHBA COC(=O)c1c(NC(=S)Nc2cc([N+](=O)[O-])ccc2O)sc(C)c1C 35884015 JJBMRLNEBHYFTB-UHFFFAOYSA-N 381.435 3.574 5 50 GHBA Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1 934457 QWGIQOFCEZDGQR-UHFFFAOYSA-N 389.458 3.796 5 50 GHBA Cc1c(Cc2ccccc2)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O 651279 SQTUEUUPTKVKTM-UHFFFAOYSA-N 395.440 3.907 5 50 GHBA Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cccc1[N+](=O)[O-] 996339 PFJYRWCYBHNTEC-UHFFFAOYSA-N 387.461 3.975 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934671 FNYIKVALDCSCPL-SNVBAGLBSA-N 395.209 3.772 5 50 GHBA COCCNc1nn2c(=O)c3c4c(sc3nc2c2ccccc12)C[C@@H](C)CC4 2106438 SIWQVTFLBCUDMF-LBPRGKRZSA-N 394.500 3.641 5 50 GHBA COc1cccc(-c2noc(CCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)c1 4821359 LXLOXALEXGHUMP-UHFFFAOYSA-N 382.376 3.615 5 50 GHBA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 1181004 MOPMCJRVJMWDHC-UHFFFAOYSA-N 381.413 3.883 5 50 GHBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccccc2-c2ccccc2)c1 5077656 BKGNOLGCVBWSJQ-UHFFFAOYSA-N 398.440 3.619 5 50 GHBA CN(CCOc1ccc(F)cc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 121468636 JVUPFJFDLZFZKD-UHFFFAOYSA-N 384.411 3.645 5 50 GHBA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C2=O 1085701 CDKNSBNMWSWACR-UHFFFAOYSA-N 388.335 3.761 5 50 GHBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4543493 UJOVGRZQEADLMM-UHFFFAOYSA-N 397.328 3.715 5 50 GHBA CCC[C@@H](C)c1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 2865433 ASHPPHQDXCBFGR-SECBINFHSA-N 380.426 3.619 5 50 GHBA CCNc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)ccc1[N+](=O)[O-] 4739203 FZGPNMNKXIFXGS-UHFFFAOYSA-N 394.431 3.735 5 50 GHBA O=C(c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCOCC1 1175741 OSZUOPPITBVOHF-UHFFFAOYSA-N 396.321 3.878 5 50 GHBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCCCC1 4074768 RINIFYCSNUFFMN-UHFFFAOYSA-N 381.498 3.540 5 50 GHBA Cc1nn(C[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1Br 2794470 XUOUGVKXKWCUOQ-MRVPVSSYSA-N 399.220 3.585 5 50 GHBA CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 2854953 FZFIDAZWLRVLIG-UHFFFAOYSA-N 387.461 3.607 5 50 GHBA O=C(NC[C@H]1CC[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869746 ZKXQTDNXIILMHK-JSGCOSHPSA-N 382.445 3.913 5 50 GHBA O=[N+]([O-])c1ccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3nnnn32)cc1 101086590 OJYSWKBKAATGAY-HNNXBMFYSA-N 389.202 3.944 5 50 GHBA C[C@@H](c1ccccc1)N1CCC(Nc2cc3ncnc(O)c3cc2[N+](=O)[O-])CC1 301317895 OYISKPIGLDCBNB-AWEZNQCLSA-N 393.447 3.881 5 50 GHBA CCCCO[C@@H]1C[C@H](NCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(C)C 253429578 NSMVEQDLXVAQSR-ZWKOTPCHSA-N 393.484 3.505 5 50 GHBA NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 799281 IIOIUMUXTNSQAT-UHFFFAOYSA-N 379.825 3.540 5 50 GHBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1I 4549339 RRJGLSJIOZIXKZ-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(Nc1ccc(F)cc1F)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2799517 SONQDLNCIDRACE-UHFFFAOYSA-N 395.325 3.835 5 50 GHBA CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C 1121199 GZVGWPHKNZODNG-UHFFFAOYSA-N 384.388 3.600 5 50 GHBA C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(I)cc1 1154612 LEFLLDBLKNVHKY-JTQLQIEISA-N 396.184 3.690 5 50 GHBA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1188941 GGOWAEXYJYANJG-MRXNPFEDSA-N 386.795 3.515 5 50 GHBA O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 4980321 PIQJRGOGTOPEKD-UHFFFAOYSA-N 397.412 3.648 5 50 GHBA Cc1ccc(C(C)C)c(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 4986326 LVUYXBFCWUADJP-UHFFFAOYSA-N 392.477 3.692 5 50 GHBA Cc1cc(C)c2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2n1 1192185 TWFPAMQAKNNRQV-UHFFFAOYSA-N 380.429 3.887 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCCC1 2879334 BHJSVOOJRMISSY-UHFFFAOYSA-N 375.812 3.866 5 50 GHBA O=[N+]([O-])c1cccc2c1CC[C@H]2n1cc([C@@H](O)c2cc(F)ccc2Cl)nn1 2325839712 BWIAUJKJONZCSL-AEFFLSMTSA-N 388.786 3.596 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 680947 DRXCMDGSOHNEOK-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)nc2sccn12 225442330 OQHDGAGSOCOSFN-LBPRGKRZSA-N 398.366 3.901 5 50 GHBA CC(=O)Nc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 1163126 ZZRMRUZEDCYQQJ-UHFFFAOYSA-N 379.166 3.535 5 50 GHBA COc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1 4071425 UMHYMNKQXXWCPF-JTQLQIEISA-N 395.209 3.772 5 50 GHBA CC(C)CNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 4740933 BGPFRSUKWPCBNF-UHFFFAOYSA-N 382.464 3.625 5 50 GHBA O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1C[C@@H]1CCCO1 4867337 SISWYXLXZLOOHI-HNNXBMFYSA-N 389.459 3.589 5 50 GHBA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c1 1162420 JUPJEHJIGSAQRV-YBEGLDIGSA-N 397.412 3.578 5 50 GHBA COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC 820028 RJWIGKGDQWKLKL-UHFFFAOYSA-N 384.432 3.854 5 50 GHBA COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 1167417 DHEBDNYEVRYGPY-MHWRWJLKSA-N 398.396 3.618 5 50 GHBA O=[N+]([O-])c1ccc(C[S@](=O)c2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 6526771 VNFNGNGWOSEGOR-AREMUKBSSA-N 399.272 3.730 5 50 GHBA Cc1ccc2oc3cc(NCCO)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 4981616 APWKZRVECGSXFF-UHFFFAOYSA-N 386.407 3.654 5 50 GHBA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] 849412 NLFXCDJAELBWLM-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1F 1058429 OKVAVQPRCJQZMB-UHFFFAOYSA-N 386.408 3.987 5 50 GHBA CCOc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 4687581 PJOUPOHGYRTWAJ-UHFFFAOYSA-N 389.839 3.609 5 50 GHBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4498673 KFTMHGDUUBRHNM-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CN(Cc1nc2ccsc2c(=O)[nH]1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 160605192 QMHSIYBSUNIJDP-UHFFFAOYSA-N 384.339 3.548 5 50 GHBA O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 1127781 YXIHCHZKQAYGIS-OAHLLOKOSA-N 376.796 3.949 5 50 GHBA Cn1c(-c2ccc(I)cc2)nc2cc([N+](=O)[O-])ccc21 4543050 IFUILHBGAKBTCO-UHFFFAOYSA-N 379.157 3.753 5 50 GHBA CC(=O)c1ccc(N2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)c(F)c1 4543951 USEKETOXANNQGY-UHFFFAOYSA-N 375.375 3.711 5 50 GHBA Cc1csc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CCO2)n1 225422069 ZRWJSRIGNBDVDL-ZDUSSCGKSA-N 384.255 3.700 5 50 GHBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 1215877 GAKJKOLPBDQWIQ-UHFFFAOYSA-N 396.230 3.991 5 50 GHBA CC(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 139193938 JATGITOCVMIQSZ-SFHVURJKSA-N 396.403 3.537 5 50 GHBA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 1173016 UPDKLOZRDQEYJG-UHFFFAOYSA-N 384.461 3.712 5 50 GHBA O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1C[C@H]1CCCO1 4867338 SISWYXLXZLOOHI-OAHLLOKOSA-N 389.459 3.589 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 425949831 JLCHESOASVQTMG-UHFFFAOYSA-N 376.434 3.933 5 50 GHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2780248 VIQCCHVJFNLZPG-UHFFFAOYSA-N 391.309 3.844 5 50 GHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1 1124829 XZLPRGVXVPWKTM-BJMVGYQFSA-N 394.168 3.851 5 50 GHBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 1174555 CHXXWVMXDJEEEX-UHFFFAOYSA-N 377.397 3.648 5 50 GHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 1188840 IMCXFKNWGHRMDA-UHFFFAOYSA-N 387.351 3.648 5 50 GHBA CCc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 1144471 UXODQUGEMCPOGG-UHFFFAOYSA-N 380.194 3.904 5 50 GHBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4703595 AXBDKLKCCLUYFM-UHFFFAOYSA-N 393.365 3.884 5 50 GHBA Cc1cc(C)c(S(=O)(=O)Nc2nsc(-c3ccccc3)n2)cc1[N+](=O)[O-] 170617353 YEDMXWULLSYOPY-UHFFFAOYSA-N 390.446 3.531 5 50 GHBA COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 1128847 DLWOMEAUKQDRDB-DHZHZOJOSA-N 396.428 3.698 5 50 GHBA COc1cc2nc3n(Cc4ccccc4)c4ccccc4n3c(=O)c2cc1OC 1135679 IWRBJCBFWJBGJU-UHFFFAOYSA-N 385.423 3.868 5 50 GHBA O=[N+]([O-])c1ccc(OC2CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 174248572 WPMIOJRLNVRWRK-UHFFFAOYSA-N 394.431 3.731 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)s1 4726189 WNUVIYDLWMKYNF-UHFFFAOYSA-N 387.446 3.548 5 50 GHBA O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5028001 LTVURNCCRGCNCK-UHFFFAOYSA-N 393.399 3.944 5 50 GHBA O=[N+]([O-])c1ccc(-c2noc(-c3cccc(I)c3)n2)cc1 1198218 UCIYSLXVTWHSAB-UHFFFAOYSA-N 393.140 3.916 5 50 GHBA Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2102656 HTNJBKDPEMVSKK-UHFFFAOYSA-N 395.375 3.617 5 50 GHBA CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 4575574 YPVSRZDYTNUOOR-UHFFFAOYSA-N 396.491 3.554 5 50 GHBA CCCCOc1ccc2ccccc2c1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 9234831 GBXJKDHUCBDLSF-PKNBQFBNSA-N 381.388 3.886 5 50 GHBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 752168 DYIQTXQLNKVCKU-UHFFFAOYSA-N 376.434 3.998 5 50 GHBA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 847185 STLXLWOZHHKVGO-UHFFFAOYSA-N 393.399 3.944 5 50 GHBA C[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 944954 WVRGGNDOMAINLT-IOCXFXADSA-N 385.445 3.532 5 50 GHBA CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 997916 GKFSWHJEVXWQHN-YPUOHESYSA-N 399.472 3.922 5 50 GHBA Cc1cc2nc3s/c(=C\c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)n3c2cc1C 1198475 XUYSXBXPQKYUOW-PXNMLYILSA-N 385.832 3.635 5 50 GHBA Cc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)n1 4426941 YFNOTVIUPPCMRG-UHFFFAOYSA-N 396.428 3.531 5 50 GHBA O=C(Nc1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4713205 UKNKNMGNJASZDH-UHFFFAOYSA-N 396.781 3.881 5 50 GHBA O=C(c1cccc2ccccc12)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19841782 YTVMNAMBUFAUEB-UHFFFAOYSA-N 375.428 3.706 5 50 GHBA CCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 4687952 CCBQGTIISQBCPE-UHFFFAOYSA-N 388.855 3.642 5 50 GHBA O=C(NC[C@@H]1CCCO1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 4858008 ZVLDKJUAIXWFDS-AWEZNQCLSA-N 376.796 3.949 5 50 GHBA C[C@H](OC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 2998745 WDWINMKWDYFFMC-AWEZNQCLSA-N 384.388 3.518 5 50 GHBA CSc1ccccc1NC(=O)[C@H](C)n1nc([N+](=O)[O-])c(Br)c1C 1070782 LJBCMMWUQMFIOE-VIFPVBQESA-N 399.270 3.784 5 50 GHBA Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccccc1N1CCC[C@H](C)C1 170623185 BRVCXWGXWXSEBF-AWEZNQCLSA-N 390.461 3.907 5 50 GHBA NC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCC2 1111787 OAXMCSWETSODRQ-UHFFFAOYSA-N 393.852 3.930 5 50 GHBA O=c1c2onc(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1[N+](=O)[O-] 1875337528 XEDMVBKQLYJRLX-UHFFFAOYSA-N 382.763 3.661 5 50 GHBA CN1CCC(N(C)c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)CC1 949109 ICYJYQNSQUIVSL-UHFFFAOYSA-N 377.448 3.735 5 50 GHBA O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1196553 DRXOAIISFAWGLQ-UHFFFAOYSA-N 397.412 3.648 5 50 GHBA CCCC(=O)N1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1 4758511 NVPFTCQJJLMGDF-UHFFFAOYSA-N 392.475 3.563 5 50 GHBA O=C(OCc1nc(-c2ccc(F)cc2)no1)c1c[nH]c2cccc([N+](=O)[O-])c12 762906627 VVOJPDZXSXXAMT-UHFFFAOYSA-N 382.307 3.622 5 50 GHBA CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 1001066 NRYUVRDUGQFWQV-KGXGESDWSA-N 397.416 3.996 5 50 GHBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OCC(C)C)cc1 4801821 ORAVEUMAECZJFG-UNOMPAQXSA-N 398.415 3.574 5 50 GHBA CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O)cc1 2895332 IICVFILOZNWDJM-QGOAFFKASA-N 384.388 3.629 5 50 GHBA O=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2971966 KWDRSMHBBCEZGO-UHFFFAOYSA-N 385.430 3.812 5 50 GHBA COc1ccc(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc12 4846134 BCZAAJLSTMJRGM-UHFFFAOYSA-N 392.411 3.824 5 50 GHBA O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 1070306 IPHAINIWHAVWKR-ZDUSSCGKSA-N 398.444 3.531 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4978796 BOQVOCALHAGENX-PGBRGIIUSA-N 378.494 3.786 5 50 GHBA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-] 2307893 ZYXPZVDYXCAUKR-UHFFFAOYSA-N 398.400 3.565 5 50 GHBA CS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 253428284 JRMKNZGZZLCZIT-UHFFFAOYSA-N 389.216 3.557 5 50 GHBA C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 993960 GCIZNEOBYBZDCL-QMMMGPOBSA-N 393.852 3.786 5 50 GHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4978794 BOQVOCALHAGENX-IWUURBKTSA-N 378.494 3.786 5 50 GHBA O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 4998960 PUGWPTUYHBBJFH-UHFFFAOYSA-N 396.230 3.991 5 50 GHBA O=c1[nH]c(/C=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc(O)c1[N+](=O)[O-] 9010342 XHZJVJCNSYSOOK-ALCCZGGFSA-N 393.277 3.833 5 50 GHBA C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 668478 VREXYUNIMWUJMO-FZPLPXEFSA-N 385.445 3.532 5 50 GHBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3879879 JLHHHOIVJHSUES-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 4474181 IVWCKYQLVXYNOV-UHFFFAOYSA-N 398.644 3.853 5 50 GHBA O=[N+]([O-])c1ccc(Nc2ccc(I)cc2)c([N+](=O)[O-])c1 4561001 MMRKWNKHAWHWMG-UHFFFAOYSA-N 385.117 3.851 5 50 GHBA CC(C)(C)c1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(C(C)(C)C)c1O 17112392 DPEPOMZOVRDUIM-BQYQJAHWSA-N 387.436 3.855 5 50 GHBA COc1cc(CN(C)C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1SC 225521693 HYSNLYGSXKYSFC-UHFFFAOYSA-N 387.461 3.940 5 50 GHBA O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCC(Cc2cccc(F)c2)CC1 301078507 JHJHQUCXTFZCJQ-UHFFFAOYSA-N 382.395 3.842 5 50 GHBA O=[N+]([O-])c1ccc(O[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 1215363 CZHIQXHADWWVQU-FQEVSTJZSA-N 398.440 3.693 5 50 GHBA O=C(c1cccc(Cl)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4184124 KOKXMYZYDKHFAD-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA CC(C)(C)OC(=O)NC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C 225602231 CUEOEIJFRTTXID-YHVDPYDOSA-N 391.468 3.664 5 50 GHBA CCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 4818909 VJOVMVQCESYFLF-UHFFFAOYSA-N 389.433 3.519 5 50 GHBA O=[N+]([O-])c1ccc(-n2cc(COc3ncc(C(F)(F)F)cc3Cl)nn2)cc1 261494999 CHERFLSZKLXJHM-UHFFFAOYSA-N 399.716 3.822 5 50 GHBA Cc1nc(N2CCC(c3nccc(-c4ccccc4)n3)CC2)ncc1[N+](=O)[O-] 952895950 YKKPRVDUBHHSTR-UHFFFAOYSA-N 376.420 3.534 5 50 GHBA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C 4108679 UHOQCUJPFQKYCY-RVZJWNSFSA-N 387.436 3.687 5 50 GHBA Cc1nn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1Sc1ccccc1 1229143 COPQWHRZFHVGJE-UHFFFAOYSA-N 389.458 3.796 5 50 GHBA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4828565 NLMOENVMGPSTBJ-UHFFFAOYSA-N 377.205 3.711 5 50 GHBA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cc([N+](=O)[O-])ccc21 100073041 GYWGQAIDMYGOLU-UHFFFAOYSA-N 377.308 3.574 5 50 GHBA in-vitro Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 170609572 UERKZMSZVPCCPY-HNNXBMFYSA-N 388.855 3.953 5 50 GHBA O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2566577 NNTKLOJVGYKVKM-UHFFFAOYSA-N 383.381 3.594 5 50 GHBA Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 2679030 KVMODNCYYBQQGF-UHFFFAOYSA-N 395.487 3.858 5 50 GHBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ncc3ccccc3c12 4543070 CVDFCSOHEHVFJG-UHFFFAOYSA-N 389.367 3.803 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 252453058 YYRDYZJCKOOSHC-WFASDCNBSA-N 375.450 3.829 5 50 GHBA Nc1c(OCc2cc(-c3ccco3)on2)cc(Br)cc1[N+](=O)[O-] 253427570 GFWPKMHMNAFFAW-UHFFFAOYSA-N 380.154 3.767 5 50 GHBA COc1ccc(CNc2ncnc(NCc3ccc(OC)cc3)c2[N+](=O)[O-])cc1 4587288 HQRAOUKTXJGATQ-UHFFFAOYSA-N 395.419 3.626 5 50 GHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2nccc(-c3ccc(F)cc3)n2n1 2793760 JYSYSPGMIXNXDZ-UHFFFAOYSA-N 395.325 3.835 5 50 GHBA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N=C(S)N1C[C@@H]1CCCO1 2752002 OTETXXJEDBWIBO-BMANGOCTSA-N 399.428 3.503 5 50 GHBA O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)O[C@H](c1ccccc1)c1cccnc1 728416159 GWLSKYAPJMNVRH-OAQYLSRUSA-N 388.383 3.672 5 50 GHBA Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5066624 RXUVPEBTABTSDR-CPNJWEJPSA-N 391.383 3.906 5 50 GHBA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc([N+](=O)[O-])c1 949612 LLZCYQXZFVEFJZ-UHFFFAOYSA-N 395.371 3.850 5 50 GHBA Cc1nc(N2CCOCC2)nc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 4802436 DHENREHURZOKBY-UHFFFAOYSA-N 384.223 3.580 5 50 GHBA O=c1[nH]c(/C=C/c2cn(Cc3ccccc3)c3ccccc23)nc(O)c1[N+](=O)[O-] 9010487 ZMNKZFJQHPIBHL-ZHACJKMWSA-N 388.383 3.557 5 50 GHBA COc1ccc(-c2n[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 1775938178 XCVZYHDFDWWIMA-UHFFFAOYSA-N 385.376 3.686 5 50 GHBA CCOc1ccc(C(=O)Cn2ccc(=NCc3ccccc3)cc2)cc1[N+](=O)[O-] 972983 DDUHBCXVXXOCFI-UHFFFAOYSA-N 391.427 3.779 5 50 GHBA biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 4043756 UZYWZDVJWOXKHG-GOSISDBHSA-N 395.415 3.553 5 50 GHBA COCc1cc(C)nc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(N)c12 1123205 FFSTYWLIHWFERU-UHFFFAOYSA-N 386.433 3.802 5 50 GHBA Cc1c(NC(=S)NC(=O)c2ccccc2Br)cccc1[N+](=O)[O-] 1127660 YWDXBYRDDAREDS-UHFFFAOYSA-N 394.250 3.793 5 50 GHBA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N2 4192933 VLQLCGLAEQLCMW-HNNXBMFYSA-N 388.811 3.626 5 50 GHBA CCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c([N+](=O)[O-])c1 6487879 PAJTYHWUHKERDK-UHFFFAOYSA-N 398.341 3.725 5 50 GHBA CCOCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1745270 IOFQKMSANVDQRT-UHFFFAOYSA-N 392.795 3.694 5 50 GHBA CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccc([N+](=O)[O-])c1 2848225 NFPDEPHMXASZOI-UHFFFAOYSA-N 386.408 3.987 5 50 GHBA Cc1cc(Br)c(Nc2ccc3nonc3c2[N+](=O)[O-])cc1[N+](=O)[O-] 3879054 OUZLARSBRGGAIB-UHFFFAOYSA-N 394.141 3.854 5 50 GHBA O=C(Nc1cccc([N+](=O)[O-])c1)C(Br)(C(F)(F)F)C(F)(F)F 15636148 IVWKDFOTNZLIRB-UHFFFAOYSA-N 395.053 3.792 5 50 GHBA biogenic O=[N+]([O-])c1ccc2nc3c4ccccc4n(CCCN4CCOCC4)c3cc2c1 19376175 BMSBGLMVRRWEDW-UHFFFAOYSA-N 390.443 3.973 5 50 GHBA CC(=O)Nc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])cc1 4754745 NIHZPGVMCFPXOG-UHFFFAOYSA-N 396.407 3.823 5 50 GHBA C[C@H]1CCc2c(-c3nnc(SCn4cc([N+](=O)[O-])cn4)n3C)csc2C1 17079662 FSJMTIVCKLKOMM-JTQLQIEISA-N 390.494 3.523 5 50 GHBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 996200 AOCRAWYVRKQBGG-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)o1 4834842 NVGVLQHUGUKBTR-UHFFFAOYSA-N 388.380 3.823 5 50 GHBA CCC[C@H](C)c1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 2865434 ASHPPHQDXCBFGR-VIFPVBQESA-N 380.426 3.619 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1[N+](=O)[O-] 1172994 WZQFDTCMYXRWCP-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA CCOC(=O)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl 4653392 RVLDLXAQSPIVOE-HNNXBMFYSA-N 376.796 3.673 5 50 GHBA CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccncc3[N+](=O)[O-])c2)cc1 5069038 JMHRRDXKRAWIRL-UHFFFAOYSA-N 377.356 3.834 5 50 GHBA Cc1c(OC(=O)CNC(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 2999003 VMTZWKFVKPZUQP-UHFFFAOYSA-N 383.400 3.685 5 50 GHBA C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 13330029 XOAJVKNOLIWTPH-VIFPVBQESA-N 375.233 3.941 5 50 GHBA CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)ccc2ccccc12 856058 XDDAGAKRKHLJCC-NRFANRHFSA-N 378.384 3.899 5 50 GHBA O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 4387367 FGLPQYHOPXXXFS-CQSZACIVSA-N 377.809 3.690 5 50 GHBA Cc1nc(N2CC(C)(C)[C@H]2c2nccn2Cc2ccccc2)ncc1[N+](=O)[O-] 952895963 YRQPWDBCZFQIGI-QGZVFWFLSA-N 378.436 3.526 5 50 GHBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCOCC1 1114938 LSJUYGLYYNEEGM-SOFGYWHQSA-N 387.823 3.737 5 50 GHBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1Cc1cccnc1 1209665 IGPKNBILKWYGSI-UHFFFAOYSA-N 375.340 3.578 5 50 GHBA CCc1ccc(OCCNc2cc(N3C[C@H](C)N[C@@H](C)C3)ccc2[N+](=O)[O-])cc1 4181060 OZGLGMXBKISLNB-IRXDYDNUSA-N 398.507 3.835 5 50 GHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1230533 MMRXFARKBIWSLC-UHFFFAOYSA-N 384.413 3.975 5 50 GHBA CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(N2CCNC2=O)c1 1875281790 WYNXJVAMKOBWBI-HNNXBMFYSA-N 398.463 3.762 5 50 GHBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C)cc1Br 673701 UWVXWLGATKVOON-UHFFFAOYSA-N 395.209 3.692 5 50 GHBA CC(C)NS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c([N+](=O)[O-])c1 241144907 JUALOGUPSBPUDA-BHOIQGAFSA-N 393.509 3.518 5 50 GHBA C[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 687077 CSSSHUPBKHWSMK-QMMMGPOBSA-N 393.852 3.786 5 50 GHBA COC(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)cc([N+](=O)[O-])c1 1097982 KETBORCBIZBIGG-UHFFFAOYSA-N 397.156 3.535 5 50 GHBA Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1[N+](=O)[O-] 826503 AKNUATPVKICZEC-UHFFFAOYSA-N 376.722 3.719 5 50 GHBA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 104215861 RHYOWQKYWVLEIX-HOTGVXAUSA-N 391.427 3.636 5 50 GHBA CCOC(=O)c1cccc([N+](=O)[O-])c1-c1c(C(=O)OCC)cccc1[N+](=O)[O-] 4831084 UWPTXRFFGKGHFC-UHFFFAOYSA-N 388.332 3.523 5 50 GHBA COC(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 1097978 WRYSFBWYSAXSFJ-UHFFFAOYSA-N 390.395 3.901 5 50 GHBA NC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCC2 1217921 CBAPPWUHJMRUNJ-UHFFFAOYSA-N 379.825 3.540 5 50 GHBA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C 4622092 KQNJLUJPPVLLOZ-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA Cc1csc([C@H]2CN(c3ccc([N+](=O)[O-])cc3Br)CCO2)n1 225422032 ZRWJSRIGNBDVDL-CYBMUJFWSA-N 384.255 3.700 5 50 GHBA NC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 670912 ICZODYIZMUXPDH-UHFFFAOYSA-N 387.461 3.595 5 50 GHBA Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1)[C@H](C)C2 2325861909 CLJHBJKUBOPGKO-IPHXSNPTSA-N 379.460 3.922 5 50 GHBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1Cl 4662919 HDGYXHAPWFXFRC-UHFFFAOYSA-N 379.825 3.774 5 50 GHBA Cc1c(-n2c(C(F)(F)F)nc3ccccc3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3671593 BSXJXHJCMSJLHD-UHFFFAOYSA-N 394.265 3.529 5 50 GHBA O=C1NC(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1 16156294 AUOQHMSUGZAJLS-KPKJPENVSA-N 393.277 3.586 5 50 GHBA Cc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 940925 RZVAWGCFDPNRGW-UHFFFAOYSA-N 394.250 3.793 5 50 GHBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc2ccccc12 1113124 AIKPNUXKZQHSCB-UYRXBGFRSA-N 376.368 3.692 5 50 GHBA O=C(c1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4499352 KQSOAVNHZYCTAD-UHFFFAOYSA-N 397.328 3.715 5 50 GHBA Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4838585 GKLBONLTZYLZPO-UHFFFAOYSA-N 375.812 3.646 5 50 GHBA COc1ccc(Cc2nnc(NC(=O)c3cccc(C)c3[N+](=O)[O-])s2)cc1 1124608 VTRJGWLNJCKXAG-UHFFFAOYSA-N 384.417 3.606 5 50 GHBA O=c1[nH]c(O)nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)c1[N+](=O)[O-] 5064303 WBTORKRITLRPEX-ZHACJKMWSA-N 388.383 3.557 5 50 GHBA CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4663764 BUAWEUCMYCRJLW-UHFFFAOYSA-N 389.433 3.519 5 50 GHBA Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4900951 UEWVVYWAMLXEFY-UHFFFAOYSA-N 392.415 3.521 5 50 GHBA N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 158522694 VHOWRPALKIBOTN-CYBMUJFWSA-N 391.880 3.963 5 50 GHBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1C 4040801 IHMIVWGXUJBHBJ-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA COc1cc(CN2CCN(c3cccc(C)c3C)CC2)c([N+](=O)[O-])cc1OC 55543267 OGAVJGMHHVULDN-UHFFFAOYSA-N 385.464 3.551 5 50 GHBA Cc1c(NC(=O)c2cccc(I)c2)cccc1[N+](=O)[O-] 1218670 HGZRENUNBBJGGV-UHFFFAOYSA-N 382.157 3.760 5 50 GHBA O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1cccc([N+](=O)[O-])c1 2794831 ROAUMZLHMIAANI-UHFFFAOYSA-N 392.202 3.794 5 50 GHBA Cc1ccc([C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 408515297 MVYGUAWIOPYRCH-NRFANRHFSA-N 377.400 3.583 5 50 GHBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cccc([N+](=O)[O-])c1 2266887 CRBHQOMDQNYXQX-UHFFFAOYSA-N 384.373 3.803 5 50 GHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC1CCCCC1 5047598 ZVAXAFWJFWBYTO-UHFFFAOYSA-N 397.431 3.675 5 50 GHBA Cc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 1170871 OUYYQYGWJXXKLX-UHFFFAOYSA-N 378.178 3.705 5 50 GHBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)C[C@H]1C(C)C 52507967 AHAURRPMZVUDDQ-NRFANRHFSA-N 397.475 3.728 5 50 GHBA O=[N+]([O-])c1ccc(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)c([N+](=O)[O-])c1 104236638 AHXIJHUUQUIKLT-UHFFFAOYSA-N 382.672 3.564 5 50 GHBA N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Br)o2)S1 23128324 YPVAISNRNUIQET-SDQBBNPISA-N 394.206 3.756 5 50 GHBA O=[N+]([O-])c1c(N2C[C@@]34CCCC[C@@]3(CN(Cc3ccccc3)C4)C2)ccnc1O 1875347349 LWAARMNGMXIWMN-SZPZYZBQSA-N 394.475 3.578 5 50 GHBA COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 882008 GAJCSYKFZXMODA-UHFFFAOYSA-N 379.825 3.692 5 50 GHBA CC(C)NS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c([N+](=O)[O-])c1 241144910 JUALOGUPSBPUDA-UYANXQCSSA-N 393.509 3.518 5 50 GHBA Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccccc1N1CCC[C@@H](C)C1 170623186 BRVCXWGXWXSEBF-CQSZACIVSA-N 390.461 3.907 5 50 GHBA O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(Cl)c1 1427693 CFIHAMJATJXKSP-HNNXBMFYSA-N 384.775 3.580 5 50 GHBA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 2849438 PUNXKQPLJUVOSC-UHFFFAOYSA-N 397.460 3.528 5 50 GHBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCC(O)(c2cccnc2)CC1 184484246 PHORCRLOZGFJFP-UHFFFAOYSA-N 384.436 3.559 5 50 GHBA CC(=O)Nc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 1143283 LZDZIIDPJKWONK-UHFFFAOYSA-N 383.433 3.641 5 50 GHBA Cc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 4701982 OVTOBCDZFHRHMW-UHFFFAOYSA-N 386.882 3.627 5 50 GHBA CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@H](C)O[C@H](C)C2)cc1 17948718 CFMDQLRTWIXVEB-GASCZTMLSA-N 384.432 3.838 5 50 GHBA O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 1150216 XCOOUXVJHQNCNH-UHFFFAOYSA-N 393.365 3.505 5 50 GHBA Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccc([N+](=O)[O-])cc1 1397423 SOTAAWNXWQDRMZ-UHFFFAOYSA-N 391.309 3.755 5 50 GHBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4499367 FUGGFZGJOSUMJC-UHFFFAOYSA-N 380.231 3.864 5 50 GHBA COc1cc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 1151142 JZUFPCQGKLSLJY-QPJJXVBHSA-N 392.795 3.926 5 50 GHBA O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1c(F)cccc1Cl 2850880 VCXRTRIWENQPOX-UHFFFAOYSA-N 382.844 3.979 5 50 GHBA CCOC(=O)c1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 17076765 HXQBCGAPVZYMRL-UHFFFAOYSA-N 375.406 3.589 5 50 GHBA Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1)[C@H](C)C2 2325861908 CLJHBJKUBOPGKO-GQWLDOHISA-N 379.460 3.922 5 50 GHBA O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 1148031 XJZAOHQXRRJUJK-UHFFFAOYSA-N 389.411 3.820 5 50 GHBA O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Br)c3)CC2)cc1 55543111 ZLUAXWRBTSKGEA-UHFFFAOYSA-N 376.254 3.680 5 50 GHBA O=[N+]([O-])c1ccc(I)c(Oc2nc(C3CC3)ns2)c1 134214258 XESZJOQLLJJYFN-UHFFFAOYSA-N 389.174 3.721 5 50 GHBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 170609571 UERKZMSZVPCCPY-OAHLLOKOSA-N 388.855 3.953 5 50 GHBA COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2854030 FSXXIXADDVGMGQ-UHFFFAOYSA-N 385.401 3.988 5 50 GHBA CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 4964765 SYIFYVBPCKMTLG-RGEXLXHISA-N 381.432 3.543 5 50 GHBA CC[C@@H](C)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 52537628 ZRQZRNJBLVSJCK-QGZVFWFLSA-N 396.491 3.869 5 50 GHBA CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CCCC2 17079663 RCHFGFHXHQEBCW-UHFFFAOYSA-N 390.494 3.760 5 50 GHBA O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20458064 GFLZMTDZCOKGTG-UHFFFAOYSA-N 378.791 3.741 5 50 GHBA CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1 1127088 OAJOGAVYQBYDCN-UHFFFAOYSA-N 379.210 3.937 5 50 GHBA CCOC(=O)NC(Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F 2937597 NYSAAJSJFRVSSV-UHFFFAOYSA-N 375.225 3.574 5 50 GHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nc2c(s1)CCCC2 45068028 AGHFUSSZJJTBES-UHFFFAOYSA-N 389.462 3.537 5 50 GHBA O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1 2325879151 KJSKGGJMWDONFR-UHFFFAOYSA-N 380.378 3.625 5 50 GHBA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4056357 MOKVWTCBRFKKRO-UHFFFAOYSA-N 379.210 3.992 5 50 GHBA CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC2CCCCC2)=C1C 844344 QYXSPGQVDSUOPQ-GOSISDBHSA-N 387.436 3.831 5 50 GHBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 1176035 HLLGMOUMBBKDGB-UHFFFAOYSA-N 379.382 3.931 5 50 GHBA CN1/C(=C/C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21 3166217 ZNXVUAPDEBYIQD-SFQUDFHCSA-N 381.457 3.964 5 50 GHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)C)c3)CC2)cc1 4740912 UEHUYHPXCCGJLL-UHFFFAOYSA-N 396.491 3.934 5 50 GHBA O=C(c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCO1)N1CCCc2ccccc21 4821073 KLLSSGCTCSQWBT-QGZVFWFLSA-N 381.432 3.779 5 50 GHBA CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1189514 XJCOSKFDJPAPCS-MRXNPFEDSA-N 386.795 3.515 5 50 GHBA NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 995288 XECQYQAJSTVAFO-DHZHZOJOSA-N 385.445 3.676 5 50 GHBA COC(=O)c1c(-c2ccncc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 1053347 OLQQRZKAZNJCEB-UHFFFAOYSA-N 397.412 3.686 5 50 GHBA O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Br 4558018 VFOUSBBAHRWXFC-UHFFFAOYSA-N 398.644 3.853 5 50 GHBA O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])cc1 2794723 WKWBMCMBNICJFI-UHFFFAOYSA-N 391.309 3.506 5 50 GHBA Cc1ccc(F)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 13146743 POLUWGNLEJLPFT-LWYUSKRHSA-N 399.426 3.568 5 50 GHBA CC[C@](C)(O)CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Br 170603197 DNVGFBCMUZICNT-KRWDZBQOSA-N 394.269 3.920 5 50 GHBA