smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=c1[nH]c2cc(-n3cnc4c3CCCC4)c([N+](=O)[O-])cc2nc1O 13734400 YUBIYPXOLFRRBK-UHFFFAOYSA-N 327.300 1.601 5 1 EDBF COC(=O)CN(C)c1nc(NCc2ccccc2)ncc1[N+](=O)[O-] 653882165 SQRPIDMYOUWLNW-UHFFFAOYSA-N 331.332 1.606 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264384 QUSUHQINXPJDGN-VGMNWLOBSA-N 343.343 1.805 5 1 EDBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](Oc2ccc(=O)[nH]n2)[C@]1(C)O 13825250 ZQBYFBPMNLZUEN-ZBFHGGJFSA-N 347.327 1.720 5 1 EDBF Cc1nncnc1C[C@@H](c1ccc([N+](=O)[O-])cc1)[N+]1([O-])CCOCC1 66252671 NSEHPJGYSBOYPH-INIZCTEOSA-N 345.359 1.717 5 1 EDBF C[N+](C)([O-])CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 28817999 WJXMCOUYXKBKLV-UHFFFAOYSA-N 329.312 1.918 5 1 EDBF CN1CCN(c2cc3[nH]c4cc(O)cc(O)c4c(=O)c3cc2N)CC1 26254616 BOACJVDNRDKLGU-UHFFFAOYSA-N 340.383 1.427 5 1 EDBF O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)cc1 53313930 UJYBRMDCGBHHRQ-UHFFFAOYSA-N 341.331 1.841 5 1 EDBF COCCOc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc1[N+](=O)[O-] 587265863 RZBXEHGIVFQECO-UHFFFAOYSA-N 330.304 1.317 5 1 EDBF Cc1cc(C)[n+](-c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2O)c(C)c1 1857537836 GIFVRKAEYQSHFN-UHFFFAOYSA-O 338.365 1.150 5 1 EDBF Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)CC(=O)C(=O)O 28645825 OHNDPODKZKSJNI-UHFFFAOYSA-N 325.276 1.876 5 1 EDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(N)=O)cc2[nH]1 587267706 DKZLFVPQSOQZEC-UHFFFAOYSA-N 328.332 1.938 5 1 EDBF NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1 586929623 GGBPADMAKJBMKJ-UHFFFAOYSA-N 325.281 1.253 5 1 EDBF COC1=C[C@H]2CC(=O)N(C2)[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 49115615 NIRLNZTUEPBPJA-XHDPSFHLSA-N 332.312 1.399 5 1 EDBF C[N@+]1([O-])CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 255236926 MSPKPJXNNSETAB-PBOAHOEESA-N 331.324 1.056 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1857574511 SJKAWGNVHBYDAQ-UHFFFAOYSA-N 337.248 1.995 5 1 EDBF COC(=O)C1(C(=O)OC)CC=CCc2ccccc2[C@@H]1C[N+](=O)[O-] 17995119 RWGALSFVLDHGOG-AWEZNQCLSA-N 333.340 1.882 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@H]1C[N+](=O)[O-] 587261305 AQRGPSXGUNOYME-MXWKQRLJSA-N 345.355 1.995 5 1 EDBF O=C1NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C1=O 13683182 NGYGGBLAVBSGBJ-UHFFFAOYSA-N 339.263 1.300 5 1 EDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cnc3[nH]2)cc1 586920157 NDGHXBMAYFWLFU-UHFFFAOYSA-N 336.304 1.979 5 1 EDBF C/C(=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O 27632422 JQTQQGYAYKWJJZ-PQLBUYNYSA-N 334.328 1.762 5 1 EDBF Cc1cc(O)c2c(=O)c3c(O)cc(OS(=O)(=O)O)cc3cc-2o1 2356829682 JBBJRLQPWVIXBX-UHFFFAOYSA-N 338.293 1.799 5 1 EDBF CCOC(=O)Cc1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587274224 HLTIROSGDNOWIV-UHFFFAOYSA-N 329.316 1.977 5 1 EDBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cncc([N+](=O)[O-])c2[nH]1 587226122 VIRHRCNTKWEXHA-SNVBAGLBSA-N 341.327 1.950 5 1 EDBF COc1ccc2c(c1)[n+]([O-])c1c(=O)nc(N3CCCCC3)nc-1n2C 102182389 MRKXWWUJFHXIRP-UHFFFAOYSA-N 341.371 1.066 5 1 EDBF O=[N+]([O-])c1cccc(Nc2nc(N3CCNCC3)nc3[nH]cnc23)c1 53243525 SCCMIWFHGDWLTM-UHFFFAOYSA-N 340.347 1.414 5 1 EDBF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 29398607 QWFGZUAPTHHOAD-MRVPVSSYSA-N 349.221 1.055 5 1 EDBF CCn1cc([N+](=O)[O-])c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587652283 BEAPTQHVZOEBBL-UHFFFAOYSA-N 347.718 1.863 5 1 EDBF CN(C)S(=O)(=O)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 586930706 FYERSQPNNMGXHS-UHFFFAOYSA-N 336.329 1.981 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263922 PARZFWSTQZEOBB-LHNWLWAASA-N 345.359 1.947 5 1 EDBF Cn1nnc(-c2ccc3c(=O)c4cc(OCCO)ccc4oc3c2)n1 29486456 XPVDUMGPHBBYJF-UHFFFAOYSA-N 338.323 1.508 5 1 EDBF NS(=O)(=O)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270683 QJCWLGJMKAZCOZ-UHFFFAOYSA-N 346.368 1.904 5 1 EDBF Cc1c([N+](=O)[O-])c(C(=O)n2ncc3ccc(Cl)cc3c2=O)nn1C 587652890 NAHXWSLEWMDSPL-UHFFFAOYSA-N 347.718 1.689 5 1 EDBF CS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273298 JTDZEMNYFVGVDG-UHFFFAOYSA-N 349.372 1.704 5 1 EDBF COC(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1OC 587273073 CZUOIIIFMCNVSR-UHFFFAOYSA-N 345.315 1.820 5 1 EDBF O=C(NCCCn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)nc1 84671988 UHIKQSAOQMKLSZ-UHFFFAOYSA-N 344.253 1.420 5 1 EDBF CCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cccc([N+](=O)[O-])c12 587646459 ARATVKSNLKUPRZ-LLVKDONJSA-N 331.328 1.613 5 1 EDBF CNS(=O)(=O)NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586943318 QNYIYRMBRKMTIQ-UHFFFAOYSA-N 342.384 1.213 5 1 EDBF CCCNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 29309234 DSGYVNLCXQKEND-MRXNPFEDSA-N 332.360 1.837 5 1 EDBF O=Cc1cn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]c1=O 73160234 SPIIZGFOUFBSOM-UHFFFAOYSA-N 341.279 1.566 5 1 EDBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1OC 587275084 SWDYKJVRSTUSSG-UHFFFAOYSA-N 331.288 1.667 5 1 EDBF COc1cc(OC[C@H](O)CO)cc2c1c(=O)c1ccccc1n2C 45321322 PMVPVZRBHDTRHA-LLVKDONJSA-N 329.352 1.432 5 1 EDBF CNC1=C([N+](=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)N=C2N=CNN21 1911584320 GJFXRIQZIWZCHT-SECBINFHSA-N 340.265 1.630 5 1 EDBF CN1C(=O)[C@@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 49071336 AUDSLQXOMHXBCN-OAHLLOKOSA-N 344.352 1.711 5 1 EDBF CN(C)C(=O)N(CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 40915692 QLSUZHSSOMRYQL-UHFFFAOYSA-N 336.392 1.411 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262787 HYGMYGDLUNUABK-MIMYLULJSA-N 331.328 1.922 5 1 EDBF COc1ccc(C(=O)CN2[CH-]C([N+](=O)[O-])=CC=C2N)cc1[N+](=O)[O-] 2356852344 RMQUHUIWQZGKGB-UHFFFAOYSA-N 333.280 1.224 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 587274648 RITFAQRPUZKCHJ-UHFFFAOYSA-N 344.375 1.965 5 1 EDBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCc3ccco3)n2O)cc1 263592020 VJYPAIWVKGGHOM-UHFFFAOYSA-N 331.288 1.522 5 3 EDBF Cc1nncnc1C[C@H](c1ccc([N+](=O)[O-])cc1)[N+]1([O-])CCOCC1 66252672 NSEHPJGYSBOYPH-MRXNPFEDSA-N 345.359 1.717 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587263731 NYHJZIJKPFBXFM-QNSHHTMESA-N 333.304 1.527 5 1 EDBF O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccccc1[N+](=O)[O-] 28003604 QTNBSFZAKHDVMM-CYBMUJFWSA-N 335.291 1.415 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262784 HYGMYGDLUNUABK-DVVUODLYSA-N 331.328 1.922 5 1 EDBF O=C(O)c1ccc2oc3ccc([S@](=O)CCO)cc3c(=O)c2c1 28255947 CEVPNLQVJOZZGT-QHCPKHFHSA-N 332.333 1.744 5 1 EDBF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 28134438 GHHQMVADDLLILD-RISCZKNCSA-N 349.391 1.949 5 1 EDBF O=C(CN1CCCNCC1)Nc1nc2cc([N+](=O)[O-])ccc2s1 73155964 WDFCNENPJNEIAG-UHFFFAOYSA-N 335.389 1.438 5 1 EDBF Cn1c(=O)c2c(nc3sc4nc5ccccc5nc4n32)n(C)c1=O 13216900 WUDDVWYENMNTIZ-UHFFFAOYSA-N 338.352 1.043 5 1 EDBF Cc1c(C(=O)O)[nH]c2c(C)c3[nH]c(C(=O)O)c(C)c(=O)c3cc2c1=O 39221296 NAGVQBBMUHKYFX-UHFFFAOYSA-N 342.307 1.691 5 1 EDBF COc1cc2c3c(c1)O[C@](C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587430731 BKTXGFXXDIHPAL-QFYYESIMSA-N 329.312 2.000 5 1 EDBF NC(=O)c1cc([N+](=O)[O-])c(NCCCO)cc1NCc1cccnc1 95920786 IFKSVNMHRIABRM-UHFFFAOYSA-N 345.359 1.495 5 1 EDBF in-vitro COc1cc(OCc2nc3c(O)nc(O)nc3[nH]2)ccc1[N+](=O)[O-] 587262584 YHSQZBPIWKDOBR-UHFFFAOYSA-N 333.260 1.260 5 1 EDBF O=[N+]([O-])c1nc2n(n1)C[C@H](Oc1ccc(OC(F)(F)F)cc1)CO2 1772638040 BREWIOQPPAYDDE-VIFPVBQESA-N 346.221 1.925 5 1 EDBF CC(C)[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(=O)C(F)(F)F 13738563 WUGKXXHDIMBYMH-JTQLQIEISA-N 349.265 1.029 5 1 EDBF N[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCOC1 587246931 KHUIHGBIGIYVLN-NSHDSACASA-N 327.138 1.808 5 1 EDBF CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cc3cnccc3nc12 27703905 QVHLKRXFZXYMIL-UHFFFAOYSA-N 339.355 1.983 5 1 EDBF COc1cc2c3c(c1)O[C@](C)(Cn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O 587432242 VESAKTZYRBRTRJ-ZUZCIYMTSA-N 330.300 1.401 5 1 EDBF O=C(Cc1ccccc1)NCCc1nc2cncc([N+](=O)[O-])c2[nH]1 587227896 AQXSPGHEKYCMPX-UHFFFAOYSA-N 325.328 1.768 5 1 EDBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCN(c2ccccc2)CC1 1772613641 CJYUSVOFRNSTHX-MRXNPFEDSA-N 345.403 1.283 5 1 EDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587273751 LJMIFVUAXUAGLG-SECBINFHSA-N 339.319 1.447 5 1 EDBF O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]2OCCN12 36389447 BGIPQFKYDUKHRU-GFCCVEGCSA-N 331.250 1.619 5 3 EDBF O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 5863284 LEGKYONBOUNYSW-UHFFFAOYSA-N 337.719 1.251 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587267506 LHPBBTQYTVCFSE-VIFPVBQESA-N 349.372 1.989 5 1 EDBF COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586920843 SCGYALHEFZNVHS-UHFFFAOYSA-N 348.340 1.849 5 1 EDBF CCOC(=O)c1nc2nc3cc(OC)c(OC)cc3cc2c(=O)n1C 26642363 BMEUZEBKUJBIOJ-UHFFFAOYSA-N 343.339 1.676 5 1 EDBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587231462 XBYPUHYMFAEFJH-NEPJUHHUSA-N 347.375 1.903 5 1 EDBF O=C(c1ccncc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 26717303 HGFTWPQRNGIVRW-UHFFFAOYSA-N 340.383 1.990 5 1 EDBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)cc([N+](=O)[O-])c1 587556218 VZJVLGKSXSGAKF-UHFFFAOYSA-N 329.228 1.919 5 1 EDBF C[C@@]1(c2cc(C(=O)O)[nH]c2[N+](=O)[O-])NCCc2c(C(=O)O)cccc21 963131087 MGEZISUPKLKNDP-MRXNPFEDSA-N 345.311 1.729 5 1 EDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@H]2NC(C)=O 26580069 NLQRBWPRHPEQLL-KBPBESRZSA-N 337.332 1.262 5 1 EDBF COC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2n1 587268061 WGBSHZVZMXDOGU-MRVPVSSYSA-N 330.304 1.767 5 1 EDBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587203544 KXBYHQVGXQOQOB-LBPRGKRZSA-N 333.348 1.550 5 1 EDBF Cc1cc(N(C)Cc2nc3c(N)ncnc3[nH]2)c([N+](=O)[O-])cc1F 587136941 LWQJRMVAXVQXAM-UHFFFAOYSA-N 331.311 1.927 5 1 EDBF Nc1ncnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 587092291 UPWAWQUJVUOVQS-UHFFFAOYSA-N 328.214 1.269 5 1 EDBF C[N+]12CC[C@]34c5ccccc5N[C@H]3[C@@H]3[C@H](O)OCC=C(C1)[C@@H]3C[C@@H]42 238751564 QZXYJVDHFLRTJE-FZZNFKKTSA-N 325.432 1.862 5 1 EDBF N=c1[nH]c2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 587265992 SVJQQVFPWKSPRJ-LURJTMIESA-N 349.738 1.227 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@@](C)(O)[C@@H]1O3 14689144 SWALXCKAJQTSAC-IPMKNSEASA-N 339.347 1.981 5 1 EDBF endogenous,in-man CCOC(=O)[C@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570482 ODENSYMIJCZMFO-UHNXPUEWSA-N 345.358 1.766 5 1 EDBF COCCOc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-] 587266526 ZUEDWGBVKYZOEH-UHFFFAOYSA-N 347.287 1.365 5 1 EDBF NS(=O)(=O)c1ccc(F)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587140103 BWOXFQHWUYCMIP-UHFFFAOYSA-N 337.292 1.320 5 1 EDBF COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])nn1C)[C@@H](C2)C3=O 587431965 SGKGXURNANEYON-MGPLVRAMSA-N 329.312 2.000 5 1 EDBF CC(C)C[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 28131211 LHKJYVGFWQWQQR-AWEZNQCLSA-N 349.391 1.949 5 1 EDBF COC(=O)c1c2nc3c(C(=O)OC)cccc3oc-2cc(=O)c1N 95585306 FJGDFTXAJSTDKU-UHFFFAOYSA-N 328.280 1.448 5 1 EDBF N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCOC1 587245971 BOLRFEKPTDLXCO-LLVKDONJSA-N 327.138 1.808 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@](C)(O)[C@H]1O3 6442172 SWALXCKAJQTSAC-FHWLQOOXSA-N 339.347 1.981 5 1 EDBF endogenous,in-man O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@@]1(O)C=CO[C@H]1O3 13374589 HNNJFXGWJORXCI-IRXDYDNUSA-N 326.260 1.807 5 1 EDBF biogenic Cc1ccc2nc3c4c(O)ccc(=O)c4c4c(=O)[nH]c(=O)c4c3c2c1 169720200 GGGFNPHQQVJTIU-UHFFFAOYSA-N 330.299 1.993 5 1 EDBF CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc([N+](=O)[O-])cc1 71333250 CJUQERNPJYQMPE-CJNGLKHVSA-N 333.296 1.699 5 1 EDBF C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587553066 FJTUFGDUJBAEAE-FKBGGTMYSA-N 334.288 1.004 5 1 EDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(CO)cc3[nH]2)cc1 586919566 AZEMNMDXYUTAMO-UHFFFAOYSA-N 347.352 1.937 5 1 EDBF Cn1cncc1CN1CCC[C@@H](Nc2ccc(CO)c([N+](=O)[O-])c2)C1 1857655168 QIAZRKAJWNXFFS-OAHLLOKOSA-N 345.403 1.897 5 1 EDBF COc1cccc2c(=O)c3c(O)cc(OC[C@H](O)CO)cc3oc12 198496351 ZGDYXXFTHPFZGK-SECBINFHSA-N 332.308 1.392 5 1 EDBF O=C1OCC[C@@H]1NC(=S)SCCOc1ccc([N+](=O)[O-])cc1 1857554812 BUPRCYAILFGZIR-NSHDSACASA-N 342.398 1.897 5 1 EDBF O=C(O)c1cc(=O)c2cc3c(=O)cc(C(=O)O)oc3c([N+](=O)[O-])c2o1 169344941 GVQZUKFKJGEPSV-UHFFFAOYSA-N 347.191 1.204 5 1 EDBF COCC(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587562834 GJPWORGDDAPFIR-UHFFFAOYSA-N 328.122 1.992 5 1 EDBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2n1 587266184 ZBMMJKWMVLBWHG-LPEHRKFASA-N 346.343 1.405 5 1 EDBF Cc1nc([N+](=O)[O-])cn1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587652923 OKHPMXFORUNUKK-UHFFFAOYSA-N 347.718 1.803 5 1 EDBF NS(O)(O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12 102786429 GLLXLFAGAUAROJ-UHFFFAOYSA-N 338.301 1.261 5 1 EDBF N[C@@H](CCc1nc2cnncc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272305 MMPQHWOOJWUUKR-NSHDSACASA-N 341.331 1.160 5 1 EDBF CCOC(=O)C1=C(C)NC(=O)N(C(N)=O)[C@H]1c1cccc([N+](=O)[O-])c1 5598097 NGEFFDYYNIRRME-LBPRGKRZSA-N 348.315 1.577 5 1 EDBF CN1CCC=C([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 49112644 OEBDRQPQNSAAMB-INIZCTEOSA-N 331.372 1.698 5 1 EDBF CC(=O)Nc1ccc(O)c(C(=O)OCCn2c([N+](=O)[O-])cnc2C)c1 299866233 VLSSGULMNMOEPH-UHFFFAOYSA-N 348.315 1.621 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(O)nc(S)nc2[nH]1 587264008 IWJOUHXOGVSRCB-LURJTMIESA-N 348.344 1.204 5 1 EDBF COc1nccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587264065 JYFKHQYCLUAPEB-VIFPVBQESA-N 329.316 1.823 5 1 EDBF C[C@]1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 653725556 JOHSHTQLTRXLHJ-LLVKDONJSA-N 345.237 1.830 5 1 EDBF Cc1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1C[C@@H](C)O 35075793 NUCHBCPEKVBIQJ-SNVBAGLBSA-N 339.373 1.454 5 1 EDBF COC(=O)c1ccc2c(=O)c3c(O)cc(CCO)cc3oc2c1O 238788709 PGWSXWGXWVBBQB-UHFFFAOYSA-N 330.292 1.679 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@H]([C@]1(C)CO1)O3 85841739 JRMIBKXNMDYCPR-QRVBRYPASA-N 339.347 1.981 5 1 EDBF in-man O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+](=O)[O-] 103243890 IFFNPFPKBKAJNS-UHFFFAOYSA-N 346.320 1.622 5 1 EDBF CN1CCC=C([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 49089505 MLPGRJIAFZSJCN-MRXNPFEDSA-N 331.372 1.698 5 1 EDBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587273500 CPTCJSOTSJVPQF-UHFFFAOYSA-N 342.359 1.704 5 1 EDBF Nc1ccnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 586920346 JHNCEFPTQVVRQD-UHFFFAOYSA-N 333.329 1.422 5 1 EDBF NC(=O)c1cccc(C[C@H](N)c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587259283 BOFACZQYTTYMLC-JTQLQIEISA-N 326.316 1.208 5 1 EDBF CN(C)CCNC(=O)c1cccc2nc3ccc4c[nH]nc4c3nc12 27864014 WFTVWJTZQMFCOK-UHFFFAOYSA-N 334.383 1.951 5 1 EDBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)N3CCOCC3)cc12 653795022 AVCRCJUQHCGJHI-UHFFFAOYSA-N 340.335 1.799 5 1 EDBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O 27642989 JQTQQGYAYKWJJZ-FGLZGMLISA-N 334.328 1.762 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@@H]1C[N+](=O)[O-] 587263629 MZYKSVOSAFQNMN-DSYKOEDSSA-N 338.755 1.031 5 1 EDBF COc1cc2oc(=O)cc(Cn3ccnc3[N+](=O)[O-])c2cc1OC 26376563 GTNRIJUZFWOXBR-UHFFFAOYSA-N 331.284 1.963 5 1 EDBF COc1cc(-c2nc(SCC(=O)O)n[nH]2)c([N+](=O)[O-])cc1OC 205428362 YCAVZUJTXHZFJY-UHFFFAOYSA-N 340.317 1.574 5 1 EDBF Cn1c([N+](=O)[O-])cnc1[C@H](O)[C@H](O)c1ccc(Br)cc1 40976747 OQCHQQPCSOWWDG-GHMZBOCLSA-N 342.149 1.858 5 1 EDBF CN(C)CCNC(=O)c1cccc2nc3ccc4[nH]cnc4c3nc12 27869141 LZNAXHHLXXSVCV-UHFFFAOYSA-N 334.383 1.951 5 1 EDBF COC(=O)c1cc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2cc1OC 587274645 RDZISJLGCCWQRV-UHFFFAOYSA-N 345.315 1.820 5 1 EDBF CN(C)CCCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23 5732933 GGLHADFEHBYVER-UHFFFAOYSA-N 337.383 1.903 5 1 EDBF CCOCn1c(C(=O)c2cccc([N+](=O)[O-])c2)c(CC)c(=O)[nH]c1=O 6425241 WXUVDKRRLWENDE-UHFFFAOYSA-N 347.327 1.232 5 1 EDBF O=c1[nH]c2c(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cccc2o1 95604204 PSJWRQJQELOQKY-UHFFFAOYSA-N 336.281 1.797 5 1 EDBF C[C@]1(COc2ccc(C(F)(F)F)nn2)Cn2cc([N+](=O)[O-])nc2O1 653724610 NEXNINIQRBKGFI-LLVKDONJSA-N 345.237 1.830 5 1 EDBF Nc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cn1 586920012 CYDZYAVEJBVZRF-UHFFFAOYSA-N 333.329 1.422 5 1 EDBF CCN1CCN(CC(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)CC1 73155958 XOZKROQQFHAORW-UHFFFAOYSA-N 349.416 1.781 5 1 EDBF O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1CCN1CCOCC1 653869279 VWJTYSRGOISYQX-OAHLLOKOSA-N 337.401 1.501 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccnc(N)c2)o1 95601744 CUGWYHPYIKXXKQ-UHFFFAOYSA-N 347.360 1.919 5 1 EDBF N[C@@H](CCc1nc2ncc[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587273220 RTILPJXDDCOYJW-NSHDSACASA-N 341.331 1.111 5 1 EDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587273609 JBOYIWFOJAINCW-VIFPVBQESA-N 349.372 1.875 5 1 EDBF Nc1nc(NC(=O)c2cccnc2)c([N+](=O)[O-])c(-c2ccco2)n1 43013455 KRFMWHLMAJRMIN-UHFFFAOYSA-N 326.272 1.874 5 1 EDBF Nc1ccnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 587092243 TVDKILAQPKMSLO-UHFFFAOYSA-N 327.226 1.874 5 1 EDBF O=C(OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cccnc1 1911571783 WQXBTDNIPXHCOY-UHFFFAOYSA-N 339.311 1.987 5 1 EDBF Cc1nnsc1C1=NN[C@H]2SC(c3ccc([N+](=O)[O-])cc3)=NN12 103216876 ZNSXZCTWQWBQKT-GFCCVEGCSA-N 347.385 1.714 5 1 EDBF COc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1 1860712 LMNBANUOALYQQA-UHFFFAOYSA-N 335.297 1.348 5 1 EDBF CN1CCN(CCC/N=c2\c([N+](=O)[O-])c(O)oc3ccccc23)CC1 103520811 JGTRZPCOGGYLQZ-SDXDJHTJSA-N 346.387 1.585 5 1 EDBF O=C(Cn1nc(Br)nc1[N+](=O)[O-])NCC1CCCCC1 45187254 DYVDPTNMCPYUQQ-UHFFFAOYSA-N 346.185 1.645 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263780 OIGUOIVTJVAZNO-FBIMIBRVSA-N 331.328 1.922 5 1 EDBF COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)C[N+](=O)[O-] 169326000 SRVSNQYPHUMRLA-GJZGRUSLSA-N 336.388 1.826 5 1 EDBF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] 28130605 OJZFTQPMDCNMIO-FZMZJTMJSA-N 349.391 1.949 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H](O)[C@H]([C@@]1(C)CO1)O3 14689021 JRMIBKXNMDYCPR-IPMKNSEASA-N 339.347 1.981 5 1 EDBF endogenous,in-man CC(C)[C@@H](NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O 27557391 REPMCDBPJIMPMO-GFCCVEGCSA-N 333.300 1.484 5 1 EDBF C[C@](CCc1ccc(-c2cccnc2)cc1)(C(=O)NO)S(C)(=O)=O 207493455 QRJKJRHFZNJBHB-KRWDZBQOSA-N 348.424 1.990 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263733 NYHJZIJKPFBXFM-SZEHBUNVSA-N 333.304 1.527 5 1 EDBF O=C(N[C@H]1C(=O)NN[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 1622777 ALWSDUMBUGJGDX-UONOGXRCSA-N 326.312 1.069 5 1 EDBF O=C(Cn1cnc2ccccc2c1=O)NCc1ncc([N+](=O)[O-])s1 299823349 FIHMXECWHBVXRB-UHFFFAOYSA-N 345.340 1.078 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]1C[N+](=O)[O-] 587263635 MZYKSVOSAFQNMN-VQVTYTSYSA-N 338.755 1.031 5 1 EDBF CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1N2C 101512013 TUZGSZRCHIXFHP-FZKCQIBNSA-N 348.355 1.918 5 1 EDBF O=c1[nH]c2c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cccc2o1 95601227 KRWDHOGDTJWQMC-UHFFFAOYSA-N 336.281 1.797 5 1 EDBF COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cccc([N+](=O)[O-])c12 587648062 ZMXPBBSHXAJSTB-UHFFFAOYSA-N 328.284 1.832 5 1 EDBF CS(=O)(=O)Nc1ccccc1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 586948887 MQICJXNKPOTLPT-UHFFFAOYSA-N 347.356 1.828 5 1 EDBF COC(=O)[C@@H]1C[C@@H](C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc21 1618393 SPUHVDUAILHJNC-RKDXNWHRSA-N 331.284 1.455 5 1 EDBF C[N+](C)([BH2-]C(=O)O)CCCCCCCCCC[N+](C)(C)[BH2-]C(=O)O 195340581 JWEXLRYMHIPYGW-UHFFFAOYSA-N 344.114 1.784 5 1 EDBF CCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C 38791456 FBCWZRYNKHOPFU-CYBMUJFWSA-O 328.366 1.394 5 1 EDBF O=C(O)c1cc2n(n1)[C@H](C(=O)O)Nc1cc(Cl)c([N+](=O)[O-])cc1-2 27321013 YPDBDXKMDHIBJN-SNVBAGLBSA-N 338.663 1.819 5 1 EDBF Cc1nc(N2CCN(C)CC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 40916717 TYKZYDDQGINGLH-UHFFFAOYSA-N 343.387 1.734 5 1 EDBF O=[N+]([O-])c1ccn([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)n1 587554616 LPMCZSDEOWHTPU-SECBINFHSA-N 328.288 1.466 5 1 EDBF O=C(O)Cn1cc(O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 169715176 YWHKHARYPFDPOR-UHFFFAOYSA-N 327.680 1.050 5 1 EDBF CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586942425 KRMAWEDUSUYYHE-UHFFFAOYSA-N 330.341 1.482 5 1 EDBF CC(=O)OCc1ccc2oc3cc(=O)c(NC(=O)CO)cc-3nc2c1 2356715470 XXHYXFNPVYWIDX-UHFFFAOYSA-N 342.307 1.287 5 1 EDBF Nc1c(-c2cccc(C(=O)O)c2)cc(C[C@@H](N)C(=O)O)cc1[N+](=O)[O-] 1772636547 CMYUGLNLXWMBHM-GFCCVEGCSA-N 345.311 1.497 5 1 EDBF NS(=O)(=O)c1ccccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 103260813 QGHWCGZQVFOHTG-UHFFFAOYSA-N 347.308 1.043 5 1 EDBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587231382 WSHWIZKYPZLOSF-GHMZBOCLSA-N 347.375 1.903 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261918 FBMUCHSDJPOPTJ-KGYLQXTDSA-N 331.372 1.758 5 1 EDBF NC(=O)c1nc([N+](=O)[O-])cn1Cc1ccc(OC(F)(F)F)cc1 1772592455 SDWRHSJMMPHHBV-UHFFFAOYSA-N 330.222 1.837 5 1 EDBF CN(C)CCOc1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587275171 XSKQRKYUHLMJGX-UHFFFAOYSA-N 330.348 1.812 5 1 EDBF COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])nn1C)[C@@H](C2)C3=O 587431966 SGKGXURNANEYON-QFYYESIMSA-N 329.312 2.000 5 1 EDBF O=C1CCCN1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O 26730647 HVFRMHYSRNMOOD-KGLIPLIRSA-N 342.298 1.689 5 1 EDBF Nc1nc(N)c([N+](=O)[O-])c(OCc2cc(Br)cs2)n1 66104387 DDWBJDZRQLTHLM-UHFFFAOYSA-N 346.166 1.952 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587263966 PRLZHSGPNLOHJR-HLTSFMKQSA-N 333.304 1.527 5 1 EDBF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13562143 AGMPDTXVUKOXFW-GRUGVGOFSA-N 344.283 1.637 5 1 EDBF CCN(CC)CC(=O)NCc1cn(-c2ccccc2[N+](=O)[O-])nn1 95553865 OMUYPYMQYBHLSX-UHFFFAOYSA-N 332.364 1.134 5 1 EDBF COC(=O)c1ccnc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587273625 JIKKAUHBFRVIPC-MRVPVSSYSA-N 330.304 1.653 5 1 EDBF O=C(O)C[C@H](O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586889373 KXHJDAHDYNRFFW-RXMQYKEDSA-N 344.121 1.612 5 1 EDBF C/C(=C/c1cccc([N+](=O)[O-])c1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O 27632428 JQTQQGYAYKWJJZ-FXLOFDOQSA-N 334.328 1.762 5 1 EDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccccc3)n1)C2 45254908 QPTXNIRJIRAHGN-ZDUSSCGKSA-N 342.315 1.350 5 1 EDBF O=C(CN1CCN(c2ccccn2)CC1)Nc1ncc([N+](=O)[O-])s1 653878766 KWYVQPLYRGWKSL-UHFFFAOYSA-N 348.388 1.207 5 1 EDBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 587272959 FSLVUMZKYPOFNO-UHFFFAOYSA-N 339.319 1.276 5 1 EDBF COC(=O)[C@H]1C[C@@H](C(=O)OC)c2nc3ccc([N+](=O)[O-])cc3nc21 1618395 SPUHVDUAILHJNC-BDAKNGLRSA-N 331.284 1.455 5 1 EDBF COC(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2n1 587270913 UGTYWPDICNEQOH-NSHDSACASA-N 341.327 1.895 5 1 EDBF CC(C)Oc1nc(N)nc(N)c1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 299823927 CEBLGTJVVVQNRJ-NSHDSACASA-N 335.339 1.976 5 1 EDBF C[C@@H](O)CN(C[C@@H](C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 96272548 NFPBOXGNMIWNKO-GHMZBOCLSA-N 348.359 1.189 5 1 EDBF O=C(O)CN1CC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 21294 NVRFXAMSIAVBKR-UHFFFAOYSA-N 327.680 1.097 5 1 EDBF COc1cc(=O)c2oc(O)c3c(OC)cc(=O)c4oc(O)c1c2c34 238789709 CCVTZKAXOLTFNE-UHFFFAOYSA-N 330.248 1.919 5 1 EDBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccnc2)CC1 95591300 CZFAQVHGTJZPJI-UHFFFAOYSA-N 341.371 1.994 5 1 EDBF NS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269617 WHGGTRXGNDLBNV-UHFFFAOYSA-N 348.344 1.126 5 1 EDBF O=C1COc2cc3[nH]c(CNc4ncccc4[N+](=O)[O-])nc3cc2N1 587269679 YQOLMFWAISHCEC-UHFFFAOYSA-N 340.299 1.809 5 1 EDBF O=C1OCC[C@@H]1NC(=S)SCCOc1ccccc1[N+](=O)[O-] 1857550069 SOIWYCXRTOLWAY-VIFPVBQESA-N 342.398 1.897 5 1 EDBF Cn1c(=O)c2c(nc(/C=C/c3cccc([N+](=O)[O-])c3)n2C)n(C)c1=O 13478037 BCMGQGFLVPRKMC-BQYQJAHWSA-N 341.327 1.049 5 1 EDBF COC(=O)c1cccc2nc3c(N)c([N+](=O)[O-])cc([N+](=O)[O-])c3nc12 103221463 XCRMJIVOWGJEEF-UHFFFAOYSA-N 343.255 1.968 5 1 EDBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccnn1C 587647333 FXLCOJPSYLMMPZ-UHFFFAOYSA-N 328.284 1.827 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264382 QUSUHQINXPJDGN-HRDYMLBCSA-N 343.343 1.805 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@]1(CO)CO1)O3 14689038 OJJHKXKXZMBCHJ-KXBFYZLASA-N 339.347 1.462 5 1 EDBF endogenous,in-man COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2cc1OC 587274346 JONPZDCRYJFITO-UHFFFAOYSA-N 331.288 1.667 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@@](C)(O)[C@H]1O3 6482234 SWALXCKAJQTSAC-CEXWTWQISA-N 339.347 1.981 5 1 EDBF endogenous,in-man CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(O)ccc1[N+](=O)[O-] 28827130 HYENFWRHPSGGAB-LBPRGKRZSA-N 337.357 1.656 5 1 EDBF COC(=O)c1cc(O)c2c(=O)c3c(C(=O)OC)c(O)ccc3oc2c1 2356653702 IIFBDSDNCYSXSW-UHFFFAOYSA-N 344.275 1.931 5 1 EDBF COc1cc2c3c(c1)O[C@](C)(c1c([N+](=O)[O-])cnn1C)[C@@H](C2)C3=O 587434481 WCYDAZGLFHXWDG-QFYYESIMSA-N 329.312 2.000 5 1 EDBF N[C@@H](CCc1nc2cncnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272308 MOJVRPKKIPDVJO-NSHDSACASA-N 341.331 1.160 5 1 EDBF CCOC(=O)c1nc(O)c2cc3cc([S@@](C)=O)ccc3nc2n1 26654556 GXTKKYNKGZDWRZ-QHCPKHFHSA-N 331.353 1.798 5 1 EDBF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] 28130599 OJZFTQPMDCNMIO-RISCZKNCSA-N 349.391 1.949 5 1 EDBF O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@H]1OCCO 33828968 ZSPZCKWUOXRTDY-KRWDZBQOSA-N 341.323 1.719 5 1 EDBF COCCOc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1[N+](=O)[O-] 587264771 JHVCHVOBZVKSGT-UHFFFAOYSA-N 346.303 1.241 5 1 EDBF CCOC(=O)[C@H](C)Sc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 28570559 QUAJAHSBROWEMW-LURJTMIESA-N 343.390 1.891 5 1 EDBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587269091 PLLOAEQEEPRHLY-UHFFFAOYSA-N 349.328 1.725 5 1 EDBF Cc1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1CCO 35075791 REVCUOBOIZRQKF-UHFFFAOYSA-N 325.346 1.066 5 1 EDBF Nc1c(-c2cccc(C(=O)O)c2)cc(C[C@H](N)C(=O)O)cc1[N+](=O)[O-] 1772636548 CMYUGLNLXWMBHM-LBPRGKRZSA-N 345.311 1.497 5 1 EDBF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] 29405977 RGYZCSFOYDGBPO-ZETCQYMHSA-N 349.221 1.055 5 1 EDBF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169691409 AGMPDTXVUKOXFW-RRGXMBOYSA-N 344.283 1.637 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263925 PARZFWSTQZEOBB-XUQXVSODSA-N 345.359 1.947 5 1 EDBF CN(C)CCN(C)c1ccc2nnn3c4ccc(O)cc4c(=O)c1c23 103222447 LBAOQGUZZIMXJR-UHFFFAOYSA-N 337.383 1.537 5 1 EDBF C[C@]1(c2cc(C(=O)O)[nH]c2[N+](=O)[O-])NCCc2c(C(=O)O)cccc21 963131086 MGEZISUPKLKNDP-INIZCTEOSA-N 345.311 1.729 5 1 EDBF CC[C@@](O)(C(=O)O[C@H]1CC[N@@+]2([O-])CC=C(CO)[C@H]12)c1ccccc1 254092466 IOJAGKJQHGKBCB-NBMJBFSESA-N 333.384 1.215 5 1 EDBF O=C(O)C[C@H](O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586889186 JQOZRDLTOJRZKG-ZCFIWIBFSA-N 344.121 1.612 5 1 EDBF Cn1cnc2c(NCCCO)nc(-c3cccc([N+](=O)[O-])c3)nc21 49049206 QYFBIIASUSUPOK-UHFFFAOYSA-N 328.332 1.733 5 1 EDBF COc1cc2c3c(c1)O[C@@](C)(CCn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O 587431491 PBOMHCWAFGTWJU-ZBEGNZNMSA-N 344.327 1.791 5 1 EDBF O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)[C@@H](O)CC2 169685711 VVPBWVARDNMMID-ZDUSSCGKSA-N 327.296 1.843 5 1 EDBF CCc1cc2c(=O)cc(C(=O)O)oc2c2c(=O)cc(C(=O)O)oc12 169344927 YBEQNAKMJDFICW-UHFFFAOYSA-N 330.248 1.858 5 1 EDBF CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C=O 28459540 XAQIRZLWFVEUIV-UHFFFAOYSA-N 334.244 1.678 5 1 EDBF COc1c2c(=O)cc(C(=O)O)oc2cc2oc(C(=O)O)cc(=O)c12 169344944 VFWMBTYMGMYKLN-UHFFFAOYSA-N 332.220 1.304 5 1 EDBF COC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2n1 587274038 MKFRKWVYNCHCCD-QMMMGPOBSA-N 330.304 1.653 5 1 EDBF Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587653489 XFNCVFCXJXYLJO-UHFFFAOYSA-N 347.718 1.803 5 1 EDBF O=C1c2nccc3c2C[C@H]1N[C@@]31CCOc2c([N+](=O)[O-])cc(F)cc21 963288456 BHTXKULCWUHGBW-PXAZEXFGSA-N 341.298 1.866 5 1 EDBF N[C@@H](Cc1cc(-c2cncc(O)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857647992 NLOWFHMAUIIIHJ-NSHDSACASA-N 337.719 1.970 5 1 EDBF CCCOc1ccc([N+](=O)[O-])cc1-c1ncc(-c2nnn[nH]2)c(=O)[nH]1 39291402 XLBJIHSODBALQX-UHFFFAOYSA-N 343.303 1.314 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2nc(Cl)c[nH]c-2n1 587266406 WDACEOJSTBWYNR-ZETCQYMHSA-N 334.723 1.814 5 1 EDBF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 195411051 AGMPDTXVUKOXFW-YNVKYCFSSA-N 344.283 1.637 5 1 EDBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc([N+](=O)[O-])c2[nH]1 587205169 YYSAAZYFYSMKEW-SNVBAGLBSA-N 333.348 1.550 5 1 EDBF CN1C(=O)C[C@@H]2CN[C@@H](c3cc([N+](=O)[O-])nn3C)c3cccc1c32 963036577 UFJHWCQSTHLFCE-JDNHERCYSA-N 327.344 1.471 5 1 EDBF Cc1cc(NN)n2nc(SCc3ccc([N+](=O)[O-])cc3)nc2n1 1857586472 BPHNCZJAQLHQPP-UHFFFAOYSA-N 331.361 1.919 5 1 EDBF CN1CCN(c2cc(O)c3nc4ccc(=[N+](C)C)cc-4oc3c2)CC1 28643301 RRCPIEORFMSYNT-UHFFFAOYSA-O 339.419 1.422 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587273721 KVLLMHGGELBQPD-UHFFFAOYSA-N 328.288 1.355 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@@H]([C@@]1(C)CO1)O3 85841726 JRMIBKXNMDYCPR-CEXWTWQISA-N 339.347 1.981 5 1 EDBF endogenous,in-man CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])o1 66251210 BAURTTQAYPQJMN-LBPRGKRZSA-N 348.311 1.798 5 1 EDBF COC(=O)c1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cn1 587266790 APUTZDHSPOOZCO-QMMMGPOBSA-N 330.304 1.767 5 1 EDBF O=[N+]([O-])c1ccc(-c2nnc3nnc(N4CCCCC4)n3n2)cc1 1772626271 FNPLUURSGPKQOF-UHFFFAOYSA-N 326.320 1.480 5 1 EDBF Cc1onc2c(=O)n(CC(=O)O)nc(-c3ccc([N+](=O)[O-])cc3)c12 13797624 OYTOMQJMIFESGS-UHFFFAOYSA-N 330.256 1.353 5 1 EDBF CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1N2C 101686751 TUZGSZRCHIXFHP-YHUYYLMFSA-N 348.355 1.918 5 1 EDBF C[C@H](O)[C@@H]1C[N+]2(C)CC[C@]34C(=C(C(=O)O)[C@H]1C[C@@H]32)Nc1ccccc14 15149245 ZGMJQMUGVPSZML-AMLRROLDSA-O 341.431 1.938 5 1 EDBF O=c1[nH]c(=O)n(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1F 73160227 YJFMGSHJUIZCKZ-UHFFFAOYSA-N 331.259 1.892 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263926 PARZFWSTQZEOBB-YZVYYRORSA-N 345.359 1.947 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 587266836 BIEGSFPMZKRQLE-SECBINFHSA-N 339.319 1.561 5 1 EDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccnc(O)c3[nH]2)cc1 586920202 FYUVSJDKPOZKMT-UHFFFAOYSA-N 334.313 1.546 5 1 EDBF CCN(CC)C(=S)SC[C@H](O)Cn1c([N+](=O)[O-])cnc1C 1772655698 YUUFACGXDJKGFQ-SNVBAGLBSA-N 332.451 1.821 5 1 EDBF COC(=O)[C@](O)(Cc1nc2sccn2c1[N+](=O)[O-])C(F)(F)F 49067161 MUMYJIWRGRXXPX-SECBINFHSA-N 339.251 1.313 5 1 EDBF COc1cc(-c2nc(SCC(=O)O)n[nH]2)cc([N+](=O)[O-])c1O 653680388 IXOIFKTUJPNIPW-UHFFFAOYSA-N 326.290 1.271 5 1 EDBF O=C(NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cnccn1 653918537 RAZGQUHKSZCKCS-CQSZACIVSA-N 345.340 1.304 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587267475 KREBECUCUSOXFS-QMMMGPOBSA-N 342.315 1.916 5 1 EDBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2c1OCO2 169349260 HFGVOLJCUSAJDU-UHFFFAOYSA-N 347.308 1.885 5 1 EDBF O=[N+]([O-])c1ccn(CCCc2nc3c(S)nc(S)nc3[nH]2)n1 587273291 JQLJFGNJSMGAFW-UHFFFAOYSA-N 337.390 1.668 5 1 EDBF COC(=O)c1ccc2c(=O)c3cc(O)cc(C(=O)O)c3oc2c1O 299863739 PTYYVBPXCVLOAP-UHFFFAOYSA-N 330.248 1.842 5 1 EDBF COc1cc2oc(=O)c3c(C)cc(O)c4c(=O)c(=O)c(c1O)c2c34 14859803 CCUJPSDKAUVKIU-UHFFFAOYSA-N 326.260 1.424 5 1 EDBF biogenic O=C1NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O 13683167 WOSQNCVIAMJLHU-UHFFFAOYSA-N 339.263 1.300 5 1 EDBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3ccno3)c(=O)c12 28655983 LMOWHHPGXOJYBN-UHFFFAOYSA-N 344.714 1.633 5 1 EDBF O=C(NCCn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 84923902 AYDYQAJAKSHELK-UHFFFAOYSA-N 329.238 1.635 5 1 EDBF O=C(Cc1ccccc1)NCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587228847 SBKHVWXOXDAOJC-UHFFFAOYSA-N 325.328 1.768 5 1 EDBF O=C(O)c1nc2c(O)nc3cc(C(F)(F)F)c([N+](=O)[O-])cc3n2n1 13532635 PXDCYTGCVDDVAK-UHFFFAOYSA-N 343.177 1.608 5 1 EDBF O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccncc1 263592003 LGLAAUIEAMMWDE-UHFFFAOYSA-N 346.734 1.969 5 3 EDBF Nc1nc(O)c(N=O)c(NCCCOc2ccc([N+](=O)[O-])cc2)n1 27738955 BNCPMPMXSHXOQK-UHFFFAOYSA-N 334.292 1.952 5 1 EDBF CCCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C 84596600 XKSSRERPTIUPML-VIFPVBQESA-O 329.856 1.289 5 1 EDBF CCS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587275168 XPJPFBHGIWBZCC-UHFFFAOYSA-N 335.345 1.665 5 1 EDBF O=C1NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 13683249 SSHRNTBNDSKDBH-UHFFFAOYSA-N 339.263 1.300 5 1 EDBF O=[N+]([O-])c1ccc(CN2C[C@@H](N3CCCC3)CS2(=O)=O)cc1 61923698 UUJAGQJMXDLTQP-CQSZACIVSA-N 325.390 1.205 5 3 EDBF COC(=O)c1ccccc1[S@@](=O)CCn1c([N+](=O)[O-])cnc1C 84669551 IKSNSOXPZKVFTQ-HSZRJFAPSA-N 337.357 1.694 5 1 EDBF O=C1Nc2ccccc2[C@]1(O)Cc1nc2sccn2c1[N+](=O)[O-] 49784794 CVAOSCUDQMYULC-CQSZACIVSA-N 330.325 1.686 5 1 EDBF COCCOc1ccc(-c2nc3cc(N)ncc3[nH]2)cc1[N+](=O)[O-] 587265257 NLCCSKGITWSKJG-UHFFFAOYSA-N 329.316 2.141 5 1 EDBF O=c1[nH]c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cccc2o1 95603309 WQBCWQHNWRHNCE-UHFFFAOYSA-N 336.281 1.797 5 1 EDBF NCCC[C@@](N)(C(=O)OCc1ccc([N+](=O)[O-])cc1F)C(F)F 95554626 LKOUNZZDJZWFNZ-ZDUSSCGKSA-N 335.282 1.479 5 1 EDBF COC(=O)Cc1nnn2c1[C@H](C)[C@H](c1ccccc1[N+](=O)[O-])OCC2 138805288 FIHQEIKXHSTLKO-MGPLVRAMSA-N 346.343 1.777 5 3 EDBF O=C1Nc2ccccc2[C@@]1(O)Cc1nc2sccn2c1[N+](=O)[O-] 49784795 CVAOSCUDQMYULC-AWEZNQCLSA-N 330.325 1.686 5 1 EDBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2n1 587266183 ZBMMJKWMVLBWHG-KXUCPTDWSA-N 346.343 1.405 5 1 EDBF Cc1nc2ccccc2c2ccc(C[C@H](NC(=O)CN)C(=O)O)cc12 49808480 DWNIWEVVODTABG-KRWDZBQOSA-N 337.379 1.767 5 1 EDBF CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@@H]1O 84758215 YRESWQIXSSHMFU-IRXDYDNUSA-N 344.319 1.923 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)ncnc2[nH]1 587117398 JDMAYVDBZQSMIS-UHFFFAOYSA-N 343.225 1.539 5 1 EDBF Cn1nccc1CS(=O)(=O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1 586923757 ULXMUYMANWYKIJ-UHFFFAOYSA-N 335.345 1.320 5 1 EDBF COc1cc2c3c(c1)O[C@@](C)(Cn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O 587432237 VESAKTZYRBRTRJ-BONVTDFDSA-N 330.300 1.401 5 1 EDBF NC(=O)c1ccc(Nc2c([N+](=O)[O-])c3nonc3c3nonc23)cc1 3904317 XVIRVHJDTOBYSZ-UHFFFAOYSA-N 341.243 1.510 5 1 EDBF Cc1nnsc1C1=NN[C@H]2SC(c3cccc([N+](=O)[O-])c3)=NN12 103206373 JPNICHFNWYSMDV-GFCCVEGCSA-N 347.385 1.714 5 1 EDBF COCCNc1ccc(-c2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-] 587265650 PWJZWVOWQMIMST-UHFFFAOYSA-N 329.320 1.569 5 1 EDBF C[C@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277324 SXINMXNHENRXPX-SSDOTTSWSA-N 337.317 1.524 5 1 EDBF NC(=O)[C@H]1Nc2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1 653719899 INCKPVBAJZBCNR-HNNXBMFYSA-N 326.312 1.474 5 1 EDBF CCn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCCC3)nc21 26823718 XBTVUNIXCDIPJB-UHFFFAOYSA-N 332.316 1.623 5 1 EDBF Cc1ncc(Cn2cc(COc3ccccc3[N+](=O)[O-])nn2)c(N)n1 73198460 FMLUASFPHYYMDD-UHFFFAOYSA-N 341.331 1.494 5 1 EDBF COC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2n1 587268062 WGBSHZVZMXDOGU-QMMMGPOBSA-N 330.304 1.767 5 1 EDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587268122 LMKUWILUNSLOEP-UHFFFAOYSA-N 336.743 1.647 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCN(C)CC1 49034557 RKTBATAKNSHELG-UHFFFAOYSA-N 329.451 1.365 5 1 EDBF COC(=O)[C@@](O)(Cc1nc2sccn2c1[N+](=O)[O-])C(F)(F)F 49067159 MUMYJIWRGRXXPX-VIFPVBQESA-N 339.251 1.313 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261920 FBMUCHSDJPOPTJ-RTXFEEFZSA-N 331.372 1.758 5 1 EDBF CN(C)C(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587268442 YHOYCOMQDAUOKF-UHFFFAOYSA-N 326.316 1.817 5 1 EDBF O=[N+]([O-])c1ccc(Nc2nc(N3CCNCC3)nc3[nH]cnc23)cc1 53312400 RUYAHSVDAVKMTN-UHFFFAOYSA-N 340.347 1.414 5 1 EDBF CC(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC[C@@H]3[C@@H]([N+](C)(C)CCO)O[C@H]2[C@@]31C 238749088 GANHKOAYNCJBFL-KTRDKAEWSA-N 338.468 1.640 5 1 EDBF COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc12 587270866 SLPVALXDQDPWII-LBPRGKRZSA-N 341.327 1.895 5 1 EDBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccccc1 96929438 NHUAFMALFPVMDA-HNNXBMFYSA-N 329.316 1.991 5 1 EDBF COC(=O)c1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cn1 587274485 PCWYKOXBSLEZLA-QMMMGPOBSA-N 330.304 1.653 5 1 EDBF Cc1nn(C)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1[N+](=O)[O-] 587652930 OWTKDQKRRJHKCS-UHFFFAOYSA-N 347.718 1.689 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587265536 VUSYUYZHFIFDRL-VIFPVBQESA-N 344.287 1.722 5 1 EDBF CN1CCN(c2nc(/C=C/c3cccc([N+](=O)[O-])c3)nc(=N)[nH]2)CC1 473155139 PHGOZAVAEJYCRP-AATRIKPKSA-N 341.375 1.115 5 1 EDBF O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CCN1CCOCC1 653869252 NENRAKBQVWMULT-HNNXBMFYSA-N 337.401 1.501 5 1 EDBF CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@H]1O 84653027 ZIBAECMBKDHVPT-DOTOQJQBSA-N 344.319 1.923 5 1 EDBF NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 299862254 MTTOYNOZVFDKFV-KGLIPLIRSA-N 343.295 1.578 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(CCO)cc2[nH]1 587265888 XWQZYIQCKQEYFJ-LBPRGKRZSA-N 342.355 1.954 5 1 EDBF Cc1nnsc1C1=NN[C@@H]2SC(c3cccc([N+](=O)[O-])c3)=NN12 103206377 JPNICHFNWYSMDV-LBPRGKRZSA-N 347.385 1.714 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=N)N)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264829 TYGSNJIUIKIYTN-IEBDPFPHSA-N 329.360 1.507 5 1 EDBF O=C1NC(=O)C(C(=O)Nc2ccc3cc4ccccc4cc3c2)C(=O)N1 1772582457 NLGCCLXTWULOES-UHFFFAOYSA-N 347.330 1.914 5 1 EDBF O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccccc1[N+](=O)[O-] 103211096 QMBWRCDHCSOYAA-UHFFFAOYSA-N 325.280 1.763 5 1 EDBF CS(=O)(=O)c1ccc([C@H]2NN=C(c3ccc([N+](=O)[O-])cc3)O2)cc1 1857633139 SRMAASVIMQWVFG-HNNXBMFYSA-N 347.352 1.979 5 1 EDBF O=C(Nn1c(S)nnc1-c1ccncc1)c1ccc([N+](=O)[O-])cc1 299824146 FYGGJDKHCWTXBQ-UHFFFAOYSA-N 342.340 1.921 5 1 EDBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587231465 XBYPUHYMFAEFJH-RYUDHWBXSA-N 347.375 1.903 5 1 EDBF CS(=O)(=O)Nc1ccccc1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 586949075 POGTYINLSTYOFX-UHFFFAOYSA-N 347.356 1.828 5 1 EDBF O=C(O)COCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587562762 FPMCDKXLFFMBIS-UHFFFAOYSA-N 330.094 1.835 5 1 EDBF CCNC(=O)c1nc(O)c2cc3cc(OC)c(OC)cc3nc2n1 26648425 XJTSGJPHHFRYQF-UHFFFAOYSA-N 328.328 1.651 5 1 EDBF O=[N+]([O-])c1cccnc1NCc1nc2c(S)nc(S)nc2[nH]1 587268699 JKUCRZRMQPRWAJ-UHFFFAOYSA-N 335.374 1.846 5 1 EDBF N[C@H](Cc1cc(-c2cncc(O)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857647991 NLOWFHMAUIIIHJ-LLVKDONJSA-N 337.719 1.970 5 1 EDBF CC[C@@](O)(C(=O)O[C@H]1CC[N+]2([O-])CC=C(CO)[C@H]12)c1ccccc1 29326828 IOJAGKJQHGKBCB-GKMDZDJDSA-N 333.384 1.215 5 1 EDBF COC(=O)c1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cn1 587273559 LVMFGKMFMYEYRK-UHFFFAOYSA-N 330.304 1.482 5 1 EDBF COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cn1 586920820 RODOPXFQFUBHKK-UHFFFAOYSA-N 348.340 1.849 5 1 EDBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)CO)cc3c(=O)c2c1 28255540 XGCWCCBPFDYIJX-SNVBAGLBSA-N 330.292 1.376 5 1 EDBF Cc1cc2[nH]c([C@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1[N+](=O)[O-] 587203905 NKLSOSAAZTVZAW-LBPRGKRZSA-N 347.375 1.858 5 1 EDBF O=C1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1)OCO3 13780186 YXTNHOZCRKJWQH-UHFFFAOYSA-N 325.280 1.748 5 1 EDBF CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100519849 NVOYVOBDTVTBDX-VFIXSHSMSA-N 332.420 1.453 5 1 EDBF in-man C[C@H](O)CN(C[C@H](C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 96272549 NFPBOXGNMIWNKO-QWRGUYRKSA-N 348.359 1.189 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@]1(CO)CO1)O3 14689034 OJJHKXKXZMBCHJ-HNAYVOBHSA-N 339.347 1.462 5 1 EDBF endogenous,in-man O=c1ccc(O)c2c3nc4ccc(O)cc4c3c3c(=O)[nH]c(=O)c3c12 169720198 RXKZQDKJAMNJOM-UHFFFAOYSA-N 332.271 1.390 5 1 EDBF O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@@]1(CO)CO1)O3 29041991 LWMFXNWNAFUDRZ-KBXCAEBGSA-N 326.304 1.717 5 1 EDBF biogenic Cn1c(=O)c2[nH]c(/C=C/c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O 13478028 OYYRSMIKUMPQPY-VOTSOKGWSA-N 327.300 1.039 5 1 EDBF COCC(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587563484 RIBLSNALVRJELA-UHFFFAOYSA-N 328.122 1.992 5 1 EDBF COC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2n1 587268677 IYHUIXJLZWDRGS-UHFFFAOYSA-N 328.288 1.660 5 1 EDBF COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cccc([N+](=O)[O-])c12 587646996 BSOFJMLHIRZXII-UHFFFAOYSA-N 328.284 1.832 5 1 EDBF C[N+]1(C)C[C@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@@]([N+](=O)[O-])(C2)C1 4580929 QYMKNXONXJPRSW-JKSUJKDBSA-N 334.352 1.864 5 1 EDBF NC(=O)c1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587271089 ZZALYMUUSLRGHA-LBPRGKRZSA-N 325.328 1.813 5 1 EDBF N=C(N)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587263481 ABEIHVKCHMPEPX-JTQLQIEISA-N 340.343 1.703 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263783 OIGUOIVTJVAZNO-MIMYLULJSA-N 331.328 1.922 5 1 EDBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCn1cnc([N+](=O)[O-])n1)O2 587391364 WCPCURRRAZBHOO-OAHLLOKOSA-N 331.332 1.891 5 1 EDBF O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1NS(=O)(=O)C(F)(F)F 1483136 QBCVGLJGAYPHNK-UHFFFAOYSA-N 337.235 1.698 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@@H]1C[N+](=O)[O-] 587263257 KXSSIZMAIRNIST-OPRDCNLKSA-N 331.328 1.952 5 1 EDBF CC[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1 254093821 SJOLWQZOAAVHCY-FPAYPSAMSA-N 333.384 1.215 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]1C[N+](=O)[O-] 587263633 MZYKSVOSAFQNMN-QYNIQEEDSA-N 338.755 1.031 5 1 EDBF COc1ccc2c(c1)n(C)c1nc(-c3ccccc3)nc(=O)c-1[n+]2[O-] 101080998 AZYLNDHKHAUPLM-UHFFFAOYSA-N 334.335 1.742 5 1 EDBF COc1ccc(NNCc2cc(O)n3nc(N)c([N+](=O)[O-])c3n2)cc1 28347653 CNUGURGEESMFLW-UHFFFAOYSA-N 345.319 1.051 5 1 EDBF COc1ccc(Cc2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])c1 587553219 FZKZVEJNUHOTIQ-UHFFFAOYSA-N 328.284 1.944 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cncnc2[nH]1 587117514 KENBIOWISSVBKD-UHFFFAOYSA-N 327.226 1.833 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnnc(O)c2[nH]1 587117801 LMPGSJGANBZWQX-UHFFFAOYSA-N 343.225 1.539 5 1 EDBF C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276399 LBRAJZDSGWMFPY-VIFPVBQESA-N 328.332 1.979 5 1 EDBF O=C(O)c1cc(=O)c2c(o1)c(Cl)cc1c(=O)cc(C(=O)O)oc12 169344930 KOKRVJJUAIUAIE-UHFFFAOYSA-N 336.639 1.949 5 1 EDBF O=[N+]([O-])c1cc(-c2nc3c(O)ncnc3[nH]2)nn1CC(F)(F)F 587090875 ALYHWZYDXVIHMX-UHFFFAOYSA-N 329.198 1.393 5 1 EDBF COCCOc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-] 587264695 HTENTKDJLUSKOT-UHFFFAOYSA-N 331.288 1.659 5 1 EDBF CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C 101660798 FSGYKLAGSGORJN-GVAFMPQTSA-N 348.355 1.918 5 1 EDBF COCCOc1ccc(-c2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] 587266523 ZQUHBWMJLGTMRF-UHFFFAOYSA-N 331.288 1.659 5 1 EDBF O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1cccc(O)c1 14945992 LJHWVFJTDNXUTQ-UHFFFAOYSA-N 325.280 1.780 5 1 EDBF CCn1nc(C(=O)O)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49111417 QAJUDAFMSDSFLF-UHFFFAOYSA-N 343.299 1.517 5 1 EDBF O=C(Cn1cnc2ccccc21)N[C@@H](O)c1ccc([N+](=O)[O-])s1 40380595 KCXWDZYHSXIASG-AWEZNQCLSA-N 332.341 1.813 5 1 EDBF O=C(NCCCCn1cnc([N+](=O)[O-])n1)c1ccc2ccccc2n1 84688245 GJOKKESJYZRCJM-UHFFFAOYSA-N 340.343 1.945 5 1 EDBF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587141775 WRBXCLKBMIGTSH-UHFFFAOYSA-N 336.304 1.925 5 1 EDBF N=c1c(C(=O)O)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1857762414 SCUPBIWTLQSKAH-UHFFFAOYSA-N 346.346 1.875 5 1 EDBF O=C1N[C@@H]2[C@H](CCCCCn3ccnc3[N+](=O)[O-])SC[C@@H]2N1 27439869 YPUJHNUEMJJMLB-DCAQKATOSA-N 325.394 1.517 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587274924 WSQQQZQAEYKBCR-UHFFFAOYSA-N 337.317 1.271 5 1 EDBF COc1cncc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920182 FUSCAUICMNDATB-UHFFFAOYSA-N 348.340 1.849 5 1 EDBF O=[N+]([O-])c1ccc(Cn2nnc(S(=O)(=O)c3ccccc3)n2)cc1 2478059 MTXOJNLJKALBSV-UHFFFAOYSA-N 345.340 1.462 5 1 EDBF Cc1ncc(Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)c(N)n1 73199337 QKLPLGWKARTQLN-UHFFFAOYSA-N 341.331 1.494 5 1 EDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(N)=O)c2[nH]1 587268315 QMQFTTRTKWKLKF-UHFFFAOYSA-N 328.332 1.938 5 1 EDBF Nc1nc(O)c2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 587269849 ROUNLLKEGZFUOB-UHFFFAOYSA-N 341.331 1.816 5 1 EDBF O=[N+]([O-])c1cnc(/C=C/c2ccccc2)n1CCn1cc(CO)nn1 1857769199 WFDANMXDBAWQCM-VOTSOKGWSA-N 340.343 1.746 5 1 EDBF CC[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1 254093827 SJOLWQZOAAVHCY-ZAWLATJESA-N 333.384 1.215 5 1 EDBF CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1 17127513 SJOLWQZOAAVHCY-DXHOFVPLSA-N 333.384 1.215 5 1 EDBF COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-] 169325999 SRVSNQYPHUMRLA-CABCVRRESA-N 336.388 1.826 5 1 EDBF Nc1nn2c(O)cc(CNNc3ccc(F)cc3)nc2c1[N+](=O)[O-] 28136918 ZJSGWLHNNGWPDJ-UHFFFAOYSA-N 333.283 1.181 5 1 EDBF CCOC(=O)[C@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570480 ODENSYMIJCZMFO-JOQOHGAHSA-N 345.358 1.766 5 1 EDBF NS(=O)(=O)c1ccc(F)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587140140 COTMCVBDXXEFHH-UHFFFAOYSA-N 336.304 1.925 5 1 EDBF NS(=O)(=O)c1nnc(NSc2ccc([N+](=O)[O-])cc2)s1 5925104 VAHPWRVYNIKKPL-UHFFFAOYSA-N 333.376 1.213 5 1 EDBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CO)cc3c(=O)c2c1 28255544 XGCWCCBPFDYIJX-JTQLQIEISA-N 330.292 1.376 5 1 EDBF CC(=O)O[C@@H]1[C@@H](C)C[C@@]23[C@@H]4CCC[N+]2([O-])CCC[C@]3(O)[C@@H]1CC4=O 205010614 YGMWNLVYDISZMM-GYAWGCBYSA-N 337.416 1.535 5 1 EDBF CN(C)c1nc(N(C)C)n2nc(-c3ccccc3[N+](=O)[O-])nc2n1 1572286 CGWSOSGCEDSGDS-UHFFFAOYSA-N 328.336 1.227 5 1 EDBF CS(=O)(=O)Nc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 586951025 QNNZLSFFSIDMRW-UHFFFAOYSA-N 333.329 1.905 5 1 EDBF C[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc([N+](=O)[O-])cn1 587277341 TZWSPFYCYPFEKR-ZETCQYMHSA-N 328.288 1.608 5 1 EDBF CS(=O)(=O)Cc1nc2ccc(Br)cn2c1[N+](=O)[O-] 96939372 VPXACZFKPMIMLJ-UHFFFAOYSA-N 334.151 1.550 5 1 EDBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCn1cnc([N+](=O)[O-])n1)O2 587391363 WCPCURRRAZBHOO-HNNXBMFYSA-N 331.332 1.891 5 1 EDBF CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@@H]1O 84653028 ZIBAECMBKDHVPT-RDJZCZTQSA-N 344.319 1.923 5 1 EDBF CCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc([N+](=O)[O-])ccc12 587647257 STRYQUWVMKHGCS-LBPRGKRZSA-N 331.328 1.613 5 1 EDBF CN1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc(N)n2)CC1 45353782 XMJISJMYQKSCRM-UHFFFAOYSA-N 343.391 1.331 5 1 EDBF CC(=O)Nc1c(C(=O)O)c2nc3cc(CO)ccc3oc-2cc1=O 140823061 PVALJFNMUZXLJQ-UHFFFAOYSA-N 328.280 1.442 5 1 EDBF CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n(C)c1 586946984 HFCNGKXCFFTQBH-UHFFFAOYSA-N 335.345 1.385 5 1 EDBF Cc1nc(=O)[nH]c2nc3ccc(Cl)cc3c(NCCNCCO)c12 1643225 SLKCWKBBDDVNSH-UHFFFAOYSA-N 347.806 1.427 5 1 EDBF CN1CCC=C([C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 49089562 JMSQVQITEUKALS-INIZCTEOSA-N 331.372 1.698 5 1 EDBF NS(=O)(=O)Cc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 586929322 AVKAMDKBEGBYCS-UHFFFAOYSA-N 333.329 1.322 5 1 EDBF C[C@H]1c2cc3c(O)nc(O)nc3nc2[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587553084 FJTUFGDUJBAEAE-XWDQLLGVSA-N 334.288 1.004 5 1 EDBF O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1cccc(O)c1 14945995 ROUPUTCHGWRJJN-UHFFFAOYSA-N 325.280 1.780 5 1 EDBF Cc1[nH]c(=O)nc2nc3ccc(Cl)cc3c(N(CCO)CCO)c12 18204248 GZQLDKSXDHRMRM-UHFFFAOYSA-N 348.790 1.224 5 1 EDBF CCCc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)oc12 13549073 BILCUFMIUQDGEV-UHFFFAOYSA-N 343.291 1.983 5 1 EDBF Cn1c(=O)nc2n(-c3ccc(F)c(F)c3)c3ccccc3nc-2c1=O 1619720 VBFALOULUXMSCF-UHFFFAOYSA-N 340.289 1.862 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@H]1C[N+](=O)[O-] 587263253 KXSSIZMAIRNIST-BBBLOLIVSA-N 331.328 1.952 5 1 EDBF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1cccc2no[n+]([O-])c12 1857562509 ALKWHMYEYBVALN-PKVLTRFUSA-N 346.299 1.944 5 1 EDBF O=[N+]([O-])c1ccc(S(=O)(=O)CS(=O)(=O)C(F)(F)F)cc1 3167810 SOMMLSSJMYFNHN-UHFFFAOYSA-N 333.265 1.261 5 1 EDBF Cn1cccc1CNC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13685562 VAXOOXFMWYEIBT-UHFFFAOYSA-N 326.312 1.914 5 1 EDBF NS(=O)(=O)Cc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 586930994 YPYQFRNWDIALKF-UHFFFAOYSA-N 333.329 1.322 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2cnccc2N)o1 95603556 CSCWOTSHZFJUQB-UHFFFAOYSA-N 347.360 1.919 5 1 EDBF C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587553085 FJTUFGDUJBAEAE-XZKCWBSRSA-N 334.288 1.004 5 1 EDBF O=C1Nc2cc(F)c([N+](=O)[O-])cc2[C@]12NCCc1ccc(O)cc12 963351585 GYXFSITYQAOSKL-INIZCTEOSA-N 329.287 1.781 5 1 EDBF NS(=O)(=O)Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 586930937 VZTQYIHNGGMDMK-UHFFFAOYSA-N 332.341 1.927 5 1 EDBF O=C(Cc1ccc2c(O)nc(O)nc2n1)c1ccc([N+](=O)[O-])cc1 587555840 SWGANHAHPUQJNI-UHFFFAOYSA-N 326.268 1.770 5 1 EDBF CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@H]1O 84758214 YRESWQIXSSHMFU-DLBZAZTESA-N 344.319 1.923 5 1 EDBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587231463 XBYPUHYMFAEFJH-NWDGAFQWSA-N 347.375 1.903 5 1 EDBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(C(O)O)O2 587390956 SYXAQFUIRVBMID-KRWDZBQOSA-N 344.323 1.657 5 1 EDBF COC(=O)c1cc2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2cc1OC 587268151 MCIIMZLKJMOUSE-UHFFFAOYSA-N 343.299 1.911 5 1 EDBF CC[C@@H](C)CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1 13743340 BSQRVYOCSVWDTC-SECBINFHSA-N 332.360 1.529 5 1 EDBF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cn1cnc([N+](=O)[O-])n1 587649873 DDIOFFIIVYNSMO-UHFFFAOYSA-N 335.345 1.428 5 1 EDBF CC1=NN(C(=O)CSCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C(=O)C1 1857752791 XCIDUXAFZKFNBS-UHFFFAOYSA-N 347.356 1.839 5 1 EDBF COc1c(O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4 15150741 MKSFEZKHACTMCV-UHFFFAOYSA-N 328.232 1.933 5 1 EDBF biogenic C[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275275 AZNGCZPCBDOZKK-MRVPVSSYSA-N 325.292 1.253 5 1 EDBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(O)nc(S)nc2[nH]1 587269994 KMVNLAVQZXEBHH-UHFFFAOYSA-N 347.312 1.647 5 1 EDBF CC(C)(C)[N+](C)(C)C[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 169319507 VFFDEMMOAGDEAX-OIISXLGYSA-N 338.468 1.122 5 1 EDBF CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@@H]1O 84758213 YRESWQIXSSHMFU-SJORKVTESA-N 344.319 1.923 5 1 EDBF C[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc([N+](=O)[O-])cn1 587277340 TZWSPFYCYPFEKR-SSDOTTSWSA-N 328.288 1.608 5 1 EDBF CC[C@H](C)CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1 13743341 BSQRVYOCSVWDTC-VIFPVBQESA-N 332.360 1.529 5 1 EDBF Cc1cc(N(C)Cc2nc3c(O)nc(O)nc3[nH]2)c([N+](=O)[O-])cc1F 587137148 QATBDVIHJAXRPY-UHFFFAOYSA-N 348.294 1.756 5 1 EDBF CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CC[N+](C)(C)[C@@H]2C5 38514771 GSUJRTBSBDFDBU-GRGSLBFTSA-O 330.404 1.544 5 1 EDBF Nc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1N 586920553 UFZUPSHJITXEGJ-UHFFFAOYSA-N 347.356 1.609 5 1 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@]1(O)CCO[C@H]1O3 13374594 WRFZRAPNQYAESY-DLBZAZTESA-N 328.276 1.684 5 1 EDBF biogenic O=C(O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)O)nc1O 1911571786 WUIAXPBPALKDHU-UHFFFAOYSA-N 332.224 1.323 5 1 EDBF CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@H]1O 84653025 ZIBAECMBKDHVPT-NVXWUHKLSA-N 344.319 1.923 5 1 EDBF C/C(=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O 27632411 JQTQQGYAYKWJJZ-SXXGOERESA-N 334.328 1.762 5 1 EDBF N=c1[nH]c2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc-2c(Cl)[nH]1 587264050 JLQXFIROVJINBD-UHFFFAOYSA-N 349.694 1.778 5 1 EDBF O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)COC2=O 73223596 MVXMUPOZKBXEGX-UHFFFAOYSA-N 341.279 1.842 5 1 EDBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586961804 LYHOGSDOUQLPCB-RXMQYKEDSA-N 333.333 1.797 5 1 EDBF CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cc3cccnc3nc12 27658045 FGVWZDFQKLGFOI-UHFFFAOYSA-N 339.355 1.983 5 1 EDBF CCOC(=O)C1=C(C)NC(N(C)C)=N[C@@H]1c1cccc([N+](=O)[O-])c1 299854963 BSVSYRPGGGZQDF-CQSZACIVSA-N 332.360 1.994 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=N)N)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264825 TYGSNJIUIKIYTN-DVVUODLYSA-N 329.360 1.507 5 1 EDBF Cn1ncc([N+](=O)[O-])c1C(=O)n1ncc2ccc(Cl)cc2c1=O 587652860 LKYYDHZGHSYOGI-UHFFFAOYSA-N 333.691 1.380 5 1 EDBF NC(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270547 MXYZIMBUGCRUEX-LBPRGKRZSA-N 325.328 1.813 5 1 EDBF COC(=O)c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cn1 587269176 RQTUQFOPNIILAI-UHFFFAOYSA-N 328.288 1.660 5 1 EDBF COc1c(O)cc2c(=O)oc3cc4c(c5c(=O)oc1c2c35)OCO4 238731118 ZMINAQUBPFRZGJ-UHFFFAOYSA-N 328.232 1.933 5 1 EDBF COC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C[C@@H](CC2=O)C1 26501567 LEJNXMMRHLLBKR-LLVKDONJSA-N 332.312 1.748 5 1 EDBF COC(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1OC 587268200 NYTPWBUQVRQQJZ-UHFFFAOYSA-N 343.299 1.911 5 1 EDBF NS(=O)(=O)c1ccc(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586929230 CPSQAFMXCPJGBJ-UHFFFAOYSA-N 346.368 1.904 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCOc1no[n+]([O-])c1-c1ccccc1 38421490 OCGQWUXERSXPLJ-UHFFFAOYSA-N 331.288 1.467 5 1 EDBF COC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085832 WXFYPRFDDXAPFU-UHFFFAOYSA-N 335.341 1.963 5 1 EDBF COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC(=O)N1CCOCC1 9086562 YUYHRNCRVIBBIT-UHFFFAOYSA-N 326.265 1.376 5 3 EDBF CCOC(=O)[C@@H](C)Sc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 28570558 QUAJAHSBROWEMW-ZCFIWIBFSA-N 343.390 1.891 5 1 EDBF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587970542 JWKHPFAHZUJAGR-AYMMMOKOSA-N 325.664 1.623 5 1 EDBF COC1=C[C@]23CCC[N@@+]2([O-])CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 255197567 AZWNRVNQMXFTSX-AKHDSKFASA-N 331.368 1.807 5 1 EDBF Cn1cncc1CN1CC[C@@H](Nc2ccc(CO)c([N+](=O)[O-])c2)C1 1857654167 CYPIDFSWPQPKIM-CQSZACIVSA-N 331.376 1.507 5 1 EDBF C[C@@]1(COc2ccc(C(F)(F)F)nn2)Cn2cc([N+](=O)[O-])nc2O1 653724611 NEXNINIQRBKGFI-NSHDSACASA-N 345.237 1.830 5 1 EDBF COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cn1 587263172 KJLKJUPVLOSGFQ-GUBZILKMSA-N 346.343 1.405 5 1 EDBF COc1cc2c3c(c1)O[C@@](C)(c1c([N+](=O)[O-])cnn1C)[C@@H](C2)C3=O 587434480 WCYDAZGLFHXWDG-MGPLVRAMSA-N 329.312 2.000 5 1 EDBF CCOC(=O)CNc1nc(NCc2ccccc2)ncc1[N+](=O)[O-] 653872529 UYRGBVFUWFVTDX-UHFFFAOYSA-N 331.332 1.972 5 1 EDBF Cc1nn(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C(=O)O 1857762042 OZKWXPZCKCZNFO-UHFFFAOYSA-N 332.316 1.624 5 1 EDBF C[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277325 SXINMXNHENRXPX-ZETCQYMHSA-N 337.317 1.524 5 1 EDBF COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cn1 587263175 KJLKJUPVLOSGFQ-UTLUCORTSA-N 346.343 1.405 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264846 UMLVENRDQZTFAK-DVVUODLYSA-N 330.344 1.322 5 1 EDBF NC(=O)[C@H](CO)NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 28711476 XVFXQICJBNSYEW-INIZCTEOSA-N 345.355 1.110 5 1 EDBF in-vivo O=C(Nc1ccccc1)Nn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21 26578626 BEAITZODQFNQTC-UHFFFAOYSA-N 341.283 1.374 5 1 EDBF CC1(C)OC(=O)c2c1ccn(CCNc1ccc([N+](=O)[O-])cn1)c2=O 84713112 INABRZFFLGCDCD-UHFFFAOYSA-N 344.327 1.669 5 1 EDBF Cc1onc2c(=O)n(CC(=O)O)nc(-c3ccccc3[N+](=O)[O-])c12 13797630 QKRXBTURZQETBQ-UHFFFAOYSA-N 330.256 1.353 5 1 EDBF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)C[N+](=O)[O-] 169325998 ACRHPXOAKQUUBQ-GJZGRUSLSA-N 336.388 1.826 5 1 EDBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)[C@@H](O)c1ccc(Br)cc1 40976753 OQCHQQPCSOWWDG-QWRGUYRKSA-N 342.149 1.858 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587266140 YRDZGQUCQFAMHP-MIMYLULJSA-N 330.344 1.322 5 1 EDBF NC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587264632 OTMSUSXMOJGTAA-JTQLQIEISA-N 341.327 1.518 5 1 EDBF N[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1COC1 587255329 DLSFESIHACDJOA-SECBINFHSA-N 327.138 1.880 5 1 EDBF COC(=O)c1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cn1 587266789 APUTZDHSPOOZCO-MRVPVSSYSA-N 330.304 1.767 5 1 EDBF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cccc([N+](=O)[O-])c1 587554635 MBFNWJZQIVHGOA-UHFFFAOYSA-N 341.283 1.525 5 1 EDBF COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCO)CCN=1 5503274 HWQBWYFNCCFWGJ-UHFFFAOYSA-N 334.379 1.800 5 1 EDBF O=C1COc2cc3[nH]c(CCCn4ccc([N+](=O)[O-])n4)nc3cc2N1 587273630 MWMDZPRHWSZOQY-UHFFFAOYSA-N 342.315 1.631 5 1 EDBF CC1(C)OC[C@H](Cn2cc([C@H](O)c3ccc([N+](=O)[O-])cc3)nn2)O1 1772643633 PFBJIUWLUFZGSW-GXTWGEPZSA-N 334.332 1.420 5 1 EDBF O=c1nc2n(C3CCNCC3)c3cc(Cl)ccc3cc-2c(=O)[nH]1 96282710 OHASFJZLCPWABZ-UHFFFAOYSA-N 330.775 1.768 5 1 EDBF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1cccc2no[n+]([O-])c12 1857562510 ALKWHMYEYBVALN-YGRGUWMTSA-N 346.299 1.944 5 1 EDBF O=C(CCn1cc([N+](=O)[O-])cn1)n1ncc2ccc(Cl)cc2c1=O 587653396 VDXGLERJGDHSRJ-UHFFFAOYSA-N 347.718 1.885 5 1 EDBF CCc1nnc2c(O)nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12 13763200 QAAHGWYQVAWJTH-UHFFFAOYSA-N 325.288 1.639 5 1 EDBF O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]2OCCN12 36389448 BGIPQFKYDUKHRU-LBPRGKRZSA-N 331.250 1.619 5 3 EDBF Cc1ccc(S(=O)(=O)Cc2nc(C)n(CCO)c2[N+](=O)[O-])cc1 35075783 BTYSWSMFPDXQIQ-UHFFFAOYSA-N 339.373 1.374 5 1 EDBF COC1=C[C@]23CCC[N@@+]2([O-])C[C@H](O)c2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 255219900 INVLOFKFVTTYSR-DQDQBAQVSA-N 347.367 1.298 5 1 EDBF O=[N+]([O-])c1nc2n(n1)C[C@@H](Oc1ccc(C(F)(F)F)cn1)CO2 1772576820 VBUJBHNTSHKXFE-SSDOTTSWSA-N 331.210 1.440 5 1 EDBF Nc1nc(NC(=O)c2ccncc2)c([N+](=O)[O-])c(-c2ccco2)n1 42988870 YZIOCHRRGPPQFP-UHFFFAOYSA-N 326.272 1.874 5 1 EDBF O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)CC3)s2)s1 40848068 VFKVDNDAJSZJCT-UHFFFAOYSA-N 330.416 1.744 5 1 EDBF C[C@H]1CCCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377829938 UWHILMHHLNRYAC-VIFPVBQESA-N 326.289 1.870 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263969 PRLZHSGPNLOHJR-IWSPIJDZSA-N 333.304 1.527 5 1 EDBF COc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1 587263778 DTHQCQXJJHFPBL-VIFPVBQESA-N 329.316 1.823 5 1 EDBF O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cccc(F)c3)c2[nH]c1=O 27853925 YZHUYKCUNGPYBO-UHFFFAOYSA-N 330.275 1.876 5 1 EDBF Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 38846328 JNOLVLTVKMOSHA-UHFFFAOYSA-N 330.344 1.819 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2ccccn2)nn1 653718492 JSEGSNFXVLTJCU-UHFFFAOYSA-N 328.336 1.399 5 1 EDBF O=[N+]([O-])c1cc(-c2nc3cnnc(O)c3[nH]2)nn1CC(F)(F)F 587092166 NEJJONWFQWNLIE-UHFFFAOYSA-N 329.198 1.393 5 1 EDBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587231384 WSHWIZKYPZLOSF-MNOVXSKESA-N 347.375 1.903 5 1 EDBF COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc12 587262272 HBJKPRIMTGFBJI-LSJOCFKGSA-N 346.343 1.405 5 1 EDBF NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085364 GKEZXAISUZEETR-GFCCVEGCSA-N 346.368 1.808 5 1 EDBF CCOC(=O)c1cn(COCCO)c2ccc([N+](=O)[O-])cc2c1=O 28570118 SXFGPYVYZGRHDZ-UHFFFAOYSA-N 336.300 1.053 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=N)N)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264828 TYGSNJIUIKIYTN-FBIMIBRVSA-N 329.360 1.507 5 1 EDBF O=C(O)c1ccc2oc3ccc([S@@](=O)CCO)cc3c(=O)c2c1 28255952 CEVPNLQVJOZZGT-HSZRJFAPSA-N 332.333 1.744 5 1 EDBF Cc1cc(=O)n(C)c2c3c4c(cc12)c(C)cc(=O)n4[C@@H](CN)CO3 1857558900 BJHHVEWRGQETER-NSHDSACASA-N 325.368 1.362 5 1 EDBF CN(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-] 1640479 NNVVUAUJPCWQFU-UHFFFAOYSA-N 337.340 1.308 5 1 EDBF Cc1ccc2[nH]c(C3=c4cc([N+](=O)[O-])ccc4=NC3=O)c(NO)c2c1 140052439 OPNLWOMWTDPNOR-UHFFFAOYSA-N 336.307 1.544 5 1 EDBF in-vivo NS(=O)(=O)Cc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 586930332 PSPAYWZWSBRQEB-UHFFFAOYSA-N 332.341 1.927 5 1 EDBF CCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)oc12 169344936 XGVPUSUULCNCAV-UHFFFAOYSA-N 330.248 1.858 5 1 EDBF COC(=O)[C@H](c1c([N+](=O)[O-])cn2c1CCCCC2)S(C)(=O)=O 1772643006 VKIDJVZZROOGRS-LBPRGKRZSA-N 330.362 1.381 5 1 EDBF N[C@@H](C(=O)NCc1ccc(F)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 40974749 NPHOMPMAGRLJOP-CABCVRRESA-N 333.319 1.411 5 1 EDBF O=c1c2ccccc2c(=O)c2c1[nH]c1c(=O)c3ccccc3c(=O)c12 196689069 BHCZAWBMHNLMRV-UHFFFAOYSA-N 327.295 1.944 5 1 EDBF COC(=O)c1ccc2[nH]/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)[nH]c2c1 40564812 XSIULNJLZUKFEM-UHFFFAOYSA-N 340.295 1.932 5 1 EDBF O=[N+]([O-])c1ccc(O)c(F)c1Cc1ccc2c(O)nc(O)nc2n1 587368790 WYFBJYOWVAUPJC-UHFFFAOYSA-N 332.247 1.780 5 1 EDBF O=C(O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4cccc4)cc3n2n1 13532621 SRCZXWOHMSWKJS-UHFFFAOYSA-N 340.255 1.380 5 1 EDBF Cn1c([N+](=O)[O-])cnc1[C@H](O)[C@@H](O)c1ccc(Br)cc1 40976751 OQCHQQPCSOWWDG-WDEREUQCSA-N 342.149 1.858 5 1 EDBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587231467 XBYPUHYMFAEFJH-VXGBXAGGSA-N 347.375 1.903 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@@](C)(O)[C@H]1O3 6482232 SWALXCKAJQTSAC-GBESFXJTSA-N 339.347 1.981 5 1 EDBF endogenous,in-man O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2c[nH]cn2)cc1Cl 26177552 GEQYCWZSWQGYMI-UHFFFAOYSA-N 330.753 1.492 5 1 EDBF COC(=O)c1ccc(O)c2oc3cc(C(=O)O)cc(O)c3c(=O)c12 31160062 DZMCEPUKLLRTFH-UHFFFAOYSA-N 330.248 1.842 5 1 EDBF biogenic NS(=O)(=O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160037 CYHLNTCOLLUMQS-UHFFFAOYSA-N 336.304 1.925 5 1 EDBF CCS(=O)(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 587273215 FWCBUFBLPIYINX-UHFFFAOYSA-N 349.372 1.818 5 1 EDBF O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCCc1ccccc1 263592231 MZNIQWSCMVBYRF-UHFFFAOYSA-N 325.328 1.963 5 3 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@@]1(O)CCO[C@H]1O3 13374596 WRFZRAPNQYAESY-IRXDYDNUSA-N 328.276 1.684 5 1 EDBF biogenic COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@@+](C)(C2)[C@@H]31 299815505 LZPDNHOXYKPJNZ-CXQPBAHBSA-N 332.420 1.836 5 1 EDBF N[C@@H](Cc1ccc([N+](=O)[O-])c(-c2cccc(C(=O)O)c2)c1)C(=O)O 1772646877 NGLHFMHHNFCLRK-ZDUSSCGKSA-N 330.296 1.914 5 1 EDBF NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085365 GKEZXAISUZEETR-LBPRGKRZSA-N 346.368 1.808 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@H]1C[N+](=O)[O-] 587263259 KXSSIZMAIRNIST-UTLUCORTSA-N 331.328 1.952 5 1 EDBF O=[N+]([O-])c1ccc(CNC2=NNS(=O)(=O)c3ccccc32)cc1 1629788 AVLJRLAMOHNXOD-UHFFFAOYSA-N 332.341 1.338 5 1 EDBF NS(=O)(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160161 JTYUKDCCXDTZOY-UHFFFAOYSA-N 336.304 1.925 5 1 EDBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCCC1 1772651567 NAIYXSAMMZDXCF-SNVBAGLBSA-N 330.435 1.575 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263782 OIGUOIVTJVAZNO-IEBDPFPHSA-N 331.328 1.922 5 1 EDBF CCOC(=O)[C@H]1[C@H](C(=O)OCC)C12C(=O)Nc1ccc([N+](=O)[O-])cc12 473159333 XFMQMNOFGHUGKH-VXGBXAGGSA-N 348.311 1.157 5 1 EDBF COCCNc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1[N+](=O)[O-] 587265744 QXZNXAHWTNOBCU-UHFFFAOYSA-N 345.319 1.274 5 1 EDBF CCOC(=O)c1cn(COCCO)c2cc([N+](=O)[O-])ccc2c1=O 28569613 SCHWPSMJIKQHOB-UHFFFAOYSA-N 336.300 1.053 5 1 EDBF O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@]1(CO)CO1)O3 29041989 LWMFXNWNAFUDRZ-KSSFIOAISA-N 326.304 1.717 5 1 EDBF biogenic CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](NCCN2CCCC2)[C@@H]1O 29331225 IJUKKAUVYGRSHI-CVEARBPZSA-N 335.404 1.853 5 1 EDBF NS(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587269947 JRCGRUPCVICKRR-UHFFFAOYSA-N 346.368 1.904 5 1 EDBF C[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275276 AZNGCZPCBDOZKK-QMMMGPOBSA-N 325.292 1.253 5 1 EDBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2ccccc2)CC1 1772613640 CJYUSVOFRNSTHX-INIZCTEOSA-N 345.403 1.283 5 1 EDBF Cc1ccc(N2CCN(CCCn3cnc([N+](=O)[O-])n3)CC2)cc1 96938742 CAFWHUNUAYFYLD-UHFFFAOYSA-N 330.392 1.707 5 1 EDBF COC(=O)c1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cn1 587274484 PCWYKOXBSLEZLA-MRVPVSSYSA-N 330.304 1.653 5 1 EDBF Nc1nc2c(c(=O)[nH]1)-c1cc(Br)c([N+](=O)[O-])cc1CC2 13832463 WGYWYOIKAMRHCT-UHFFFAOYSA-N 337.133 1.788 5 1 EDBF CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1cccnc1 586928442 BKGXUNNOGUZSMR-UHFFFAOYSA-N 347.356 1.687 5 1 EDBF O=C(CCn1cnc([N+](=O)[O-])n1)N=c1cc(-c2ccc(F)cc2)o[nH]1 1857640415 WWLWBFFUMIKYKF-UHFFFAOYSA-N 346.278 1.431 5 1 EDBF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 29398609 QWFGZUAPTHHOAD-QMMMGPOBSA-N 349.221 1.055 5 1 EDBF C[C@@H](O)Cc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 82052334 FKZWWCHTJRMNCW-LLVKDONJSA-N 349.416 1.696 5 1 EDBF O=C1NNC=C([N+](=O)[O-])[C@@]12NCCc1c(Cl)cc(Cl)cc12 963120572 KJSPJFCZLJWYMS-GFCCVEGCSA-N 329.143 1.087 5 1 EDBF NS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 64549599 FNXWBQDDYCIBFS-NTUHNPAUSA-N 345.336 1.735 5 1 EDBF CCOCn1c(C)c(CNc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O 28866791 AWYQIFWPWALSAA-UHFFFAOYSA-N 334.332 1.359 5 1 EDBF CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc([N+](=O)[O-])cc1 71333249 CJUQERNPJYQMPE-XJKSGUPXSA-N 333.296 1.699 5 1 EDBF COc1cc([N+](=O)[O-])cc(-c2nc(SCC(=O)O)n[nH]2)c1O 653675522 VIQXJQKHKLGHFO-UHFFFAOYSA-N 326.290 1.271 5 1 EDBF COc1cc(-c2nc3c(O)nc(N)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261159 WSOYIBSZDYRNAC-UHFFFAOYSA-N 332.276 1.233 5 1 EDBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCc3cccnc3)n2O)cc1 263592240 VKXMZHSRVHOARF-UHFFFAOYSA-N 342.315 1.324 5 3 EDBF N[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCOC1 587245973 BOLRFEKPTDLXCO-NSHDSACASA-N 327.138 1.808 5 1 EDBF COc1c(O)cc2oc3cc(O)c(OC)c4c(=O)oc(=O)c1c2c34 13484744 XSBHGNOXKXRKGQ-UHFFFAOYSA-N 330.248 1.919 5 1 EDBF biogenic,in-vitro O=C(NC1CNC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349303 BNXCVFYAJFUJGK-UHFFFAOYSA-N 344.374 1.703 5 1 EDBF O=[N+]([O-])c1nn(-c2cccc(Cl)c2)n(O)c1=NCc1cccnc1 263592239 UKNAXKPALNEVPA-UHFFFAOYSA-N 346.734 1.969 5 3 EDBF O=C1NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C1=O 13683151 ZHQIUJWZZUBOAJ-UHFFFAOYSA-N 339.263 1.300 5 1 EDBF O=c1[nH][nH]c(=O)c2c(-c3ccccc3)n(-c3cccc([N+](=O)[O-])c3)nc12 169312887 BTIRITAKYRMNKT-UHFFFAOYSA-N 349.306 1.977 5 1 EDBF O=[N+]([O-])c1ccn([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)n1 587554621 LPMCZSDEOWHTPU-VIFPVBQESA-N 328.288 1.466 5 1 EDBF COC[C@H](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccc(O)cc1 238746218 MXJPWZNZZJRGND-ZCVDQKGDSA-O 348.419 1.422 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587266138 YRDZGQUCQFAMHP-IEBDPFPHSA-N 330.344 1.322 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587274831 UGYCQZOVMMPDLO-UHFFFAOYSA-N 325.292 1.000 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587273708 KPEOOLFWQUZHPF-UHFFFAOYSA-N 335.345 1.428 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 587266840 BIEGSFPMZKRQLE-VIFPVBQESA-N 339.319 1.561 5 1 EDBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586960275 ARCGGKAXHXPZLM-RXMQYKEDSA-N 333.333 1.797 5 1 EDBF O=[N+]([O-])c1ccc([C@@H]2NS(=O)(=O)NC3=[N+]2CCCCC3)cc1 169688188 HFAFFKANHPJHCW-CYBMUJFWSA-O 325.370 1.016 5 1 EDBF CC(C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 28131066 LWCNCLWEIDKDOX-ZDUSSCGKSA-N 335.364 1.559 5 1 EDBF COC(=O)c1cc(OC)cc2oc3cc(CO)cc(O)c3c(=O)c12 200945410 IJUFSGBZRCCKSS-UHFFFAOYSA-N 330.292 1.939 5 1 EDBF O=C(CN1C(=O)C(=O)c2cccc([N+](=O)[O-])c21)Nc1ccccc1 96934398 VZOCJTNOHRQQRO-UHFFFAOYSA-N 325.280 1.763 5 1 EDBF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@@+](C)(C2)[C@H]31 299815506 LZPDNHOXYKPJNZ-IVDHNXQLSA-N 332.420 1.836 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c[nH]c(=N)[nH]c-2n1 587116867 DOVNXKLPQUTZRQ-UHFFFAOYSA-N 342.241 1.197 5 1 EDBF COc1ccc2c(c1[N+](=O)[O-])-c1nc3nc(O)nc(O)c3cc1C2 587553963 IGWACHNBQXGSIH-UHFFFAOYSA-N 326.268 1.924 5 1 EDBF O=C1CN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CCN1 43131446 KKKFZDCXTYFTCF-UHFFFAOYSA-N 348.362 1.754 5 1 EDBF CC(C)[C@@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C(=O)C(F)(F)F 13738562 WUGKXXHDIMBYMH-SNVBAGLBSA-N 349.265 1.029 5 1 EDBF CSc1nncc(-c2cnnc(SCC[N+](C)(C)[O-])n2)n1 1857587438 KIIKPKHCPCSMEL-UHFFFAOYSA-N 325.423 1.112 5 1 EDBF O=c1[nH]c(-c2ccccc2)cn2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12 1772637862 CFDVLOVZMDCLSA-UHFFFAOYSA-N 349.306 1.749 5 1 EDBF CC(C)CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21 13759223 OGGSXXJPLPXRSP-UHFFFAOYSA-N 343.343 1.830 5 1 EDBF CN(C)CCNc1ccc2nnn3c4ccc(F)cc4c(=O)c1c23 101321745 FHMKFFXXWVASCK-UHFFFAOYSA-N 325.347 1.946 5 1 EDBF O=C1[C@H](O)N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1CCO 26168629 GIUSCTCLCVFQFZ-INIZCTEOSA-N 341.323 1.090 5 1 EDBF CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1N2C 40835300 TUZGSZRCHIXFHP-JJXSEGSLSA-N 348.355 1.918 5 1 EDBF COc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 1619725 KETXYHORFAVXFQ-UHFFFAOYSA-N 334.335 1.593 5 1 EDBF CC(C)(Br)C(C)(C)NC[C@@H](O)Cn1ccnc1[N+](=O)[O-] 26576683 JZWDKUNTAKNDPX-SECBINFHSA-N 349.229 1.694 5 1 EDBF N=C1N=C(O)/C(=C2\CCNC(=O)c3[nH]c4ccc([N+](=O)[O-])cc4c32)N1 36377742 VTWFAMNLMPQFEP-XFFZJAGNSA-N 340.299 1.415 5 1 EDBF CC[C@@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 28331413 NTOMBDCLKXBOSU-RISCZKNCSA-N 349.391 1.949 5 1 EDBF N[C@@H](CCc1nc2cnccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272654 OWZRZDWPEWDPEC-LBPRGKRZSA-N 340.343 1.765 5 1 EDBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(O)nc(O)nc3[nH]2)c1 587263469 UVMPSWARDIUSDD-UHFFFAOYSA-N 331.288 1.602 5 1 EDBF COC(=O)c1ccccc1[S@](=O)CCn1c([N+](=O)[O-])cnc1C 84669550 IKSNSOXPZKVFTQ-QHCPKHFHSA-N 337.357 1.694 5 1 EDBF Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12 13580771 ZNGGCOOMIJEOKO-UHFFFAOYSA-N 338.283 1.229 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@](C)(O)CO)O3 14689060 RQAGSTDFTGSIGB-DNVCBOLYSA-N 341.363 1.444 5 1 EDBF endogenous,in-man NS(=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 58638735 DCTSAUVMCCOZNV-UHFFFAOYSA-N 329.725 1.429 5 1 EDBF in-vitro O=C(Cn1cnc2ccccc21)N[C@H](O)c1ccc([N+](=O)[O-])s1 40380594 KCXWDZYHSXIASG-CQSZACIVSA-N 332.341 1.813 5 1 EDBF O=[N+]([O-])c1cnc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 587129307 WMHUOINXZFXFDM-UHFFFAOYSA-N 332.230 1.908 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587267505 LHPBBTQYTVCFSE-SECBINFHSA-N 349.372 1.989 5 1 EDBF O=c1c2ccccc2oc2ccc(S(=O)(=O)Nc3nnn[nH]3)cc12 13681668 HJWYZPGYPZNDTN-UHFFFAOYSA-N 343.324 1.260 5 1 EDBF in-vivo Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCCCC1 1772606265 UHXSSYCQLBTXBK-LLVKDONJSA-N 344.462 1.965 5 1 EDBF COC(=O)c1cc(=O)n2nc3c(Cl)nc4ccc(C)cc4n3c2n1 103205763 MLMZVPGKVWMBQU-UHFFFAOYSA-N 343.730 1.639 5 1 EDBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](Oc2cc[nH]c(=O)c2)[C@@H]1O 26662151 PYIRIAOMJOVDQW-CABCVRRESA-N 332.312 1.935 5 1 EDBF CCOC(=O)COc1cccc2c1[n+](=O)c1cccc(O)c1n2O 1857640670 WBYXVUWOZUAUEW-UHFFFAOYSA-O 331.304 1.594 5 1 EDBF O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 103256330 NDEVHNOFVYYVSZ-INIZCTEOSA-N 328.280 1.713 5 1 EDBF N=c1[nH]c2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc-2c(Cl)[nH]1 587269408 BWOKWLFXJWBAFZ-QMMMGPOBSA-N 333.739 1.521 5 1 EDBF CC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1N2C 101686768 TUZGSZRCHIXFHP-QKPAOTATSA-N 348.355 1.918 5 1 EDBF COc1ccc2c(c1)[n+]([O-])c1c(=O)nc(-c3ccccc3)nc-1n2C 101080995 TZIBUAFQUZOYDB-UHFFFAOYSA-N 334.335 1.742 5 1 EDBF O=C(O)C[C@@H](O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586889375 KXHJDAHDYNRFFW-YFKPBYRVSA-N 344.121 1.612 5 1 EDBF CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c([N+](=O)[O-])cc3n2n1 13864092 YKUGUNPJBXHNDH-UHFFFAOYSA-N 337.679 1.309 5 1 EDBF CC[C@H](C)CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743363 ZBDVIWWAJGDHPV-VIFPVBQESA-N 332.360 1.529 5 1 EDBF O=c1c2ccccc2oc2cc(OC[C@H](O)COCCO)cc(O)c12 71295257 SQVKPNBZCABEJM-LLVKDONJSA-N 346.335 1.400 5 1 EDBF NS(=O)(=O)c1ccc(F)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587140110 BXGMRZMELLMWML-UHFFFAOYSA-N 337.292 1.320 5 1 EDBF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCC[N+](C)(C)CCO)C(=O)O 26026965 LZXNOKQBOBWIFK-WJQTUHTMSA-O 341.472 1.746 5 1 EDBF O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3ccc(F)cc3)c2[nH]c1=O 27853933 RCLQHRZYVNYLJL-UHFFFAOYSA-N 330.275 1.876 5 1 EDBF O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCN1C(=O)[C@@H]1CCCN1 28123912 GMZJRQRCPSSPMT-ZDUSSCGKSA-N 333.348 1.328 5 1 EDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587273752 LJMIFVUAXUAGLG-VIFPVBQESA-N 339.319 1.447 5 1 EDBF N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1COC1 587255869 RLVVWURLPKZRJV-MRVPVSSYSA-N 327.138 1.880 5 1 EDBF CN1C(=O)[C@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 49071338 AUDSLQXOMHXBCN-HNNXBMFYSA-N 344.352 1.711 5 1 EDBF COC(=O)c1ccnc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc12 587274398 VAVNURROJLFZMG-UHFFFAOYSA-N 330.304 1.482 5 1 EDBF O=C(CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1)Nc1ccccc1 1857643350 CQLHPWRZZJISJX-UHFFFAOYSA-N 344.371 1.944 5 1 EDBF CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1 17127519 SJOLWQZOAAVHCY-GKMDZDJDSA-N 333.384 1.215 5 1 EDBF C/C=C/OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(C)=O 56870834 PPKYUXFRASVFLB-STMXVASLSA-O 340.333 1.308 5 1 EDBF in-vitro CC(C)[C@H](NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O 27557393 REPMCDBPJIMPMO-LBPRGKRZSA-N 333.300 1.484 5 1 EDBF CC[C@@H]1CN=C2C(=O)Nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3N21 13763208 SALVARIKFNDMPS-SECBINFHSA-N 326.316 1.730 5 1 EDBF CN(C)CCNC(=O)c1cccc2nc3ccc4c(cnn4C)c3nc12 27848973 PGUVRYYLZXYSCM-UHFFFAOYSA-N 348.410 1.961 5 1 EDBF CC[C@](O)(C(=O)O[C@H]1CC[N+]2([O-])CC=C(CO)[C@H]12)c1ccccc1 29326833 IOJAGKJQHGKBCB-QVUZWJOHSA-N 333.384 1.215 5 1 EDBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587203543 KXBYHQVGXQOQOB-GFCCVEGCSA-N 333.348 1.550 5 1 EDBF Cn1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c2oc(C(=O)O)cc(=O)c21 28249510 RQVJENQLZGWCMH-UHFFFAOYSA-N 333.212 1.799 5 1 EDBF CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc([N+](=O)[O-])cc1 71333246 CJUQERNPJYQMPE-BBRMVZONSA-N 333.296 1.699 5 1 EDBF COC(=O)C1=C(C)NC(=O)N(C(N)=O)[C@H]1c1cccc([N+](=O)[O-])c1 5523309 CIKULUBECDKHFL-NSHDSACASA-N 334.288 1.187 5 1 EDBF COc1ccc2c(c1)[n+]([O-])c(-c1ccc([N+](=O)[O-])cc1)c(N)[n+]2[O-] 5810955 DLDGNBWHVALABR-UHFFFAOYSA-N 328.284 1.273 5 1 EDBF O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)cc1 253638480 RIXVFQQXDHZVMS-UHFFFAOYSA-N 335.319 1.454 5 1 EDBF CC[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1 254093825 SJOLWQZOAAVHCY-OGWHTMIXSA-N 333.384 1.215 5 1 EDBF O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1Cc2ccccc2C1 66251839 BMWPXPSKUWBEOG-UHFFFAOYSA-N 330.296 1.628 5 1 EDBF NS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586930689 VRAVTKWDHOCYNB-UHFFFAOYSA-N 347.356 1.299 5 1 EDBF O=c1c([N+](=O)[O-])c(NCCc2ccc(O)cc2)nc2scnn12 1857563032 KZWZKCAHOPKKBX-UHFFFAOYSA-N 333.329 1.419 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264383 QUSUHQINXPJDGN-IWSPIJDZSA-N 343.343 1.805 5 1 EDBF O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)C[C@@H](O)C2 169685709 FUYZHQGVZXPEJY-SECBINFHSA-N 327.296 1.323 5 1 EDBF CC(=O)OCCn1c(-c2ccccc2)cn2cc([N+](=O)[O-])nc2c1=O 1857553256 ANVGHHAQPVUPDT-UHFFFAOYSA-N 342.311 1.634 5 1 EDBF CCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cccc([N+](=O)[O-])c12 587646461 ARATVKSNLKUPRZ-NSHDSACASA-N 331.328 1.613 5 1 EDBF Cc1ccc2[nH]c3c4c(=O)ccc(=O)c4c4c(=O)[nH]c(=O)c4c3c2c1 28710881 WIBCFAKLNZBYFD-UHFFFAOYSA-N 330.299 1.580 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnc(Cl)[nH]c-2n1 587266437 XTALPCZYWSFBCM-ZETCQYMHSA-N 334.723 1.814 5 1 EDBF Cc1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C 14944846 STPYCDICWGOWHP-SEYXRHQNSA-N 327.387 1.901 5 1 EDBF Cc1c2oc3c(C)ccc(C(=O)O)c3nc-2c(C(=O)O)c(N)c1=O 4726920 KXRMREPJUITWDU-UHFFFAOYSA-N 328.280 1.888 5 1 EDBF biogenic,in-vitro O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)cc1 27719137 YLHIULZVSJVDSR-UHFFFAOYSA-N 325.280 1.780 5 1 EDBF N[C@@H](Cc1cc(-c2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1)C(=O)O 1772600681 SXFXSXBKFUFSCC-AWEZNQCLSA-N 330.296 1.914 5 1 EDBF O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)[C@H](O)CC2 169685713 VVPBWVARDNMMID-CYBMUJFWSA-N 327.296 1.843 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587263240 KVDUCCWKTZNXNB-QYNIQEEDSA-N 337.361 1.008 5 1 EDBF Nc1nc2oc3ccc(N4CCOCC4)cc3c(=O)c2cc1C(=O)O 1857770034 JMNRDTAZQNMMIL-UHFFFAOYSA-N 341.323 1.458 5 1 EDBF CNS(=O)(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 586955842 OATBOYXKSPUNTI-UHFFFAOYSA-N 339.377 1.115 5 1 EDBF CCOCn1c(C)c(CNc2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O 28866796 QSPMYKPRTROMRT-UHFFFAOYSA-N 334.332 1.359 5 1 EDBF C/C=C1\C[C@H]2[C@H]3[C@@]4(CC[N+]3(C)C1)C(=O)c1ccccc1N4[C@H]2CO 238745177 GLQKINUQONNNEB-CGEUFJBMSA-N 325.432 1.988 5 1 EDBF NCCOCCOCCNc1cc(O)nc2c([N+](=O)[O-])cccc12 299864779 MTWSDJMPGQIDMW-UHFFFAOYSA-N 336.348 1.252 5 1 EDBF CCOC(=O)C[C@@H](C[N+](C)(C)C)OC(=O)CCCCCO[N+](=O)[O-] 29123239 PLMQLTPPWMEQPJ-ZDUSSCGKSA-N 349.404 1.326 5 1 EDBF COc1cccc2c(=O)c3c(O)cc(OC[C@@H](O)CO)cc3oc12 198496365 ZGDYXXFTHPFZGK-VIFPVBQESA-N 332.308 1.392 5 1 EDBF O=C1c2nccc3c2C[C@H]1N[C@]31CCOc2c([N+](=O)[O-])cc(F)cc21 963288457 BHTXKULCWUHGBW-SJKOYZFVSA-N 341.298 1.866 5 1 EDBF COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N 653701029 FVXUWXBHNYJLKU-UHFFFAOYSA-N 329.312 1.433 5 1 EDBF O=C1[C@H]2[C@@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967187 UCFITUSUJMLGAM-UONOGXRCSA-N 327.296 1.650 5 1 EDBF O=C(Cn1cnc([N+](=O)[O-])n1)n1nc2cc1Oc1ccc(F)cc1-2 587875596 RVMXUOOERYJRMG-UHFFFAOYSA-N 330.235 1.635 5 1 EDBF O=C(NCCCn1cnc([N+](=O)[O-])n1)c1ccc2ccccc2n1 84671989 IQMOOPWSCJTMDQ-UHFFFAOYSA-N 326.316 1.555 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587274547 PVBHBABZBYMOHF-UHFFFAOYSA-N 347.247 1.841 5 1 EDBF CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12 11616654 NVOYVOBDTVTBDX-ZCAADWTBSA-N 332.420 1.453 5 1 EDBF in-man COC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2n1 587274037 MKFRKWVYNCHCCD-MRVPVSSYSA-N 330.304 1.653 5 1 EDBF O=[N+]([O-])c1cncc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587127776 AQIBHMALQDXBIS-UHFFFAOYSA-N 332.230 1.908 5 1 EDBF O=[N+]([O-])c1ccn(CCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 587274684 YZTZIOSZPICFJY-UHFFFAOYSA-N 327.304 1.882 5 1 EDBF COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc12 587262270 HBJKPRIMTGFBJI-DVVUODLYSA-N 346.343 1.405 5 1 EDBF CCOC(=O)c1nc(O)c2cc3cc([S@](C)=O)ccc3nc2n1 26654560 GXTKKYNKGZDWRZ-HSZRJFAPSA-N 331.353 1.798 5 1 EDBF CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1N2C 40866448 TUZGSZRCHIXFHP-CAOSSQGBSA-N 348.355 1.918 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587266137 YRDZGQUCQFAMHP-FBIMIBRVSA-N 330.344 1.322 5 1 EDBF CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 581 NVOYVOBDTVTBDX-AGUVMIOSSA-N 332.420 1.453 5 1 EDBF in-man NC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1 653719900 INCKPVBAJZBCNR-OAHLLOKOSA-N 326.312 1.474 5 1 EDBF COCCNc1ccc(-c2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] 587264137 BDUMJCFOOVWJTM-UHFFFAOYSA-N 330.304 1.692 5 1 EDBF O=C1[C@H]2[C@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967183 UCFITUSUJMLGAM-ZIAGYGMSSA-N 327.296 1.650 5 1 EDBF NC(=O)NCCC[C@H](N)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587260165 RYJAJARAOAOZHW-ZETCQYMHSA-N 326.744 1.573 5 1 EDBF O=[N+]([O-])c1cc(-c2nc3c(O)nc(O)nc3[nH]2)nn1CC(F)(F)F 587091403 JSGFFRTVMTZKBA-UHFFFAOYSA-N 345.197 1.098 5 1 EDBF NS(=O)(=O)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268846 MFNNTWOUWJZSDX-UHFFFAOYSA-N 348.344 1.126 5 1 EDBF NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587259691 HNGKDZCFVNRBLM-NSHDSACASA-N 343.318 1.952 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(N)ncnc2[nH]1 587117093 GYHZVBPNNUGWIN-UHFFFAOYSA-N 342.241 1.415 5 1 EDBF CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)o1 586930386 CJCSFPGPDYLYSU-UHFFFAOYSA-N 337.317 1.376 5 1 EDBF COC(=O)c1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cn1 587270818 QQPVTESGWDYWHV-NSHDSACASA-N 341.327 1.895 5 1 EDBF NC(=O)c1cccc(C[C@H](N)c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587259568 FEQLUOPVFTYRHC-NSHDSACASA-N 325.328 1.813 5 1 EDBF O=C(CNC(=O)c1ccccc1)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 29209561 QURBKLYJMCXFHN-UHFFFAOYSA-N 345.267 1.838 5 1 EDBF CC1=C(C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc3[nH]nnn3c2=O)N1 102809596 OFBMOQFVGDTWRQ-NSHDSACASA-N 339.315 1.572 5 1 EDBF COc1cc(-c2nc3c(O)nc(O)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260680 ACCUZAFSRNFTNX-UHFFFAOYSA-N 333.260 1.357 5 1 EDBF CC[C@](O)(C(=O)O[C@H]1CC[N@+]2([O-])CC=C(CO)[C@H]12)c1ccccc1 299810127 IOJAGKJQHGKBCB-QFHJOOASSA-N 333.384 1.215 5 1 EDBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cnn(C)c1 587647037 DFMPWVXMMUJJNJ-UHFFFAOYSA-N 328.284 1.827 5 1 EDBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccnn1C 587647097 DWMNOPGYLIXJJG-UHFFFAOYSA-N 328.284 1.827 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@](C)(O)CO)O3 14689058 RQAGSTDFTGSIGB-KXBFYZLASA-N 341.363 1.444 5 1 EDBF endogenous,in-man C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587263730 NYHJZIJKPFBXFM-JEZHCXPESA-N 333.304 1.527 5 1 EDBF Nc1ncc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1[N+](=O)[O-] 587267963 KLBGKIPMEDZQHB-UHFFFAOYSA-N 326.272 1.446 5 1 EDBF O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1cccc(O)c1 27715087 QZNWTHVWCJVSFG-UHFFFAOYSA-N 325.280 1.780 5 1 EDBF CCOC(=O)C1=C(C)NC(=O)N(C(N)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 5598093 NGEFFDYYNIRRME-GFCCVEGCSA-N 348.315 1.577 5 1 EDBF COc1cc(OC[C@@H](O)CO)cc2c1c(=O)c1ccccc1n2C 45321326 PMVPVZRBHDTRHA-NSHDSACASA-N 329.352 1.432 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@@H]([C@]1(C)CO1)O3 85841731 JRMIBKXNMDYCPR-QYZOEREBSA-N 339.347 1.981 5 1 EDBF in-man C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O 27642996 JQTQQGYAYKWJJZ-PPMXPVHRSA-N 334.328 1.762 5 1 EDBF Nc1ncc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1[N+](=O)[O-] 587268426 XHGZNFDRURWMMR-UHFFFAOYSA-N 325.210 1.876 5 1 EDBF O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 103256331 NDEVHNOFVYYVSZ-MRXNPFEDSA-N 328.280 1.713 5 1 EDBF Cc1nnsc1C1=NN[C@@H]2SC(c3ccc([N+](=O)[O-])cc3)=NN12 103216880 ZNSXZCTWQWBQKT-LBPRGKRZSA-N 347.385 1.714 5 1 EDBF CCc1nc(N)nc(N)c1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 26494858 XNKNPIZOMYSEGC-UHFFFAOYSA-N 344.375 1.615 5 1 EDBF CCOC(=O)[C@H](C)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13863238 MSNBVFOEXXZXLU-QMMMGPOBSA-N 333.300 1.327 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@](C)(O)[C@H]1O3 6442173 SWALXCKAJQTSAC-QYZOEREBSA-N 339.347 1.981 5 1 EDBF in-man N=c1[nH]c2nc(COc3cc(F)ccc3[N+](=O)[O-])nc-2c(Cl)[nH]1 587159730 VSXGSOSCGVKTNM-UHFFFAOYSA-N 338.686 1.997 5 1 EDBF N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCOC1 587246928 KHUIHGBIGIYVLN-LLVKDONJSA-N 327.138 1.808 5 1 EDBF O=C(O)CCCCN(Cc1ccc([N+](=O)[O-])cc1)CP(=O)(O)O 2043437 RWVBLRUMXIXUAR-UHFFFAOYSA-N 346.276 1.787 5 1 EDBF in-vivo CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccccc1 96929439 NHUAFMALFPVMDA-OAHLLOKOSA-N 329.316 1.991 5 1 EDBF CC(C)(C)OC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 1857757014 LJHLJQYVFRWHSD-UHFFFAOYSA-N 325.365 1.647 5 1 EDBF O=C([C@@H]1C[C@H](N2CCc3cc([N+](=O)[O-])ccc32)CN1)N1CCSC1 28642576 WLFZTWMMDBAEDM-KBPBESRZSA-N 348.428 1.221 5 1 EDBF NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587259689 HNFJYBVYXVHVRE-NSHDSACASA-N 326.316 1.208 5 1 EDBF COc1cc(-c2ccc3c(O)nc(O)nc3n2)cc([N+](=O)[O-])c1O 587553927 IEQYHNWGAUIOFW-UHFFFAOYSA-N 330.256 1.725 5 1 EDBF O=C1c2ccccc2C(=O)N1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 29127882 KGUCTNSAJSLINV-UHFFFAOYSA-N 349.306 1.972 5 1 EDBF COC(=O)c1ccnc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12 587268661 ILBCJPZWEHCLOG-UHFFFAOYSA-N 328.288 1.660 5 1 EDBF COC1=C[C@H]2CC(=O)N(C2)[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 49115611 NIRLNZTUEPBPJA-NHYWBVRUSA-N 332.312 1.399 5 1 EDBF COc1cc(COC(=O)N2CC[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC 5848194 MHBUVDBUGKJCOK-SECBINFHSA-N 340.288 1.408 5 1 EDBF COC1=C[C@]23CCC[N+]2([O-])C[C@H](O)c2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 13385016 INVLOFKFVTTYSR-KKLNWFEOSA-N 347.367 1.298 5 1 EDBF biogenic,in-vitro COC(=O)c1c(OC)ccc2oc3cc(CO)cc(O)c3c(=O)c12 2356473620 LIPBAIRNIBQWHJ-UHFFFAOYSA-N 330.292 1.939 5 1 EDBF CCc1c(CC(=O)N[C@@H]2CCOC2=O)[nH]c2cc([N+](=O)[O-])ccc12 587647256 STRYQUWVMKHGCS-GFCCVEGCSA-N 331.328 1.613 5 1 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@@]1(O)C=CO[C@@H]1O3 13374585 HNNJFXGWJORXCI-SJORKVTESA-N 326.260 1.807 5 1 EDBF biogenic Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(=O)CC1 84714554 AVLWAYBDLGKIRN-UHFFFAOYSA-N 328.419 1.783 5 1 EDBF CN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)S(=O)(=O)c1cccnc1 586929115 SALJJQFQNKPJLE-UHFFFAOYSA-N 348.344 1.082 5 1 EDBF COC(=O)c1ccnc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc12 587267790 QYQIWDRAKNDYFF-QMMMGPOBSA-N 330.304 1.767 5 1 EDBF COc1cc(OC)cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])c1 4248352 DKEICQRTOOOCCY-UHFFFAOYSA-N 334.284 1.828 5 1 EDBF N=c1[nH]c2nc(COc3ccc([N+](=O)[O-])cc3C=O)nc-2c(Cl)[nH]1 587269822 RCLQSTFNMGHRHX-UHFFFAOYSA-N 348.706 1.670 5 1 EDBF O=C(OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cnccn1 1911583142 XAXBUKWSOHIBLU-UHFFFAOYSA-N 340.299 1.382 5 1 EDBF O=C(NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cscn1 587027364 BNMUKWWCUJMNLE-UHFFFAOYSA-N 348.300 1.766 5 1 EDBF O=C(CCn1cnc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O 587652384 DAEXDQZQONGCCE-UHFFFAOYSA-N 348.706 1.280 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCn1nnc2ccccc21 49785330 ZMIOMLWLDXWKHD-UHFFFAOYSA-N 344.331 1.478 5 1 EDBF NC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587269285 KYMOOHQMZCOFEF-UHFFFAOYSA-N 340.295 1.962 5 1 EDBF O=[N+]([O-])c1ccc([C@H]2NS(=O)(=O)NC3=[N+]2CCCCC3)cc1 169688189 HFAFFKANHPJHCW-ZDUSSCGKSA-O 325.370 1.016 5 1 EDBF COc1ccc(C(=O)Cc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 653850811 IQVBRMIFFWQDJZ-UHFFFAOYSA-N 340.291 1.912 5 1 EDBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(O)nc(S)nc2[nH]1 587159608 URYUXFPDSYPVAX-UHFFFAOYSA-N 337.292 1.974 5 1 EDBF Nc1nccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091988 QFFQZKRGSBAWMN-UHFFFAOYSA-N 327.226 1.874 5 1 EDBF COc1cc2cc(Cn3ccnc3[N+](=O)[O-])c(=O)oc2cc1OC 26377361 SDBDDVPXBYPHPG-UHFFFAOYSA-N 331.284 1.963 5 1 EDBF N[C@@H](CCc1nc2cccnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272322 MULBQAVDXBQGGV-LBPRGKRZSA-N 340.343 1.765 5 1 EDBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc([N+](=O)[O-])c2[nH]1 587205168 YYSAAZYFYSMKEW-JTQLQIEISA-N 333.348 1.550 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@]1(CO)CO1)O3 14689036 OJJHKXKXZMBCHJ-BEFAXECRSA-N 339.347 1.462 5 1 EDBF endogenous,in-man C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(N)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587266136 YRDZGQUCQFAMHP-DVVUODLYSA-N 330.344 1.322 5 1 EDBF COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cc([N+](=O)[O-])ccc12 587647960 VSJWMXXAAJFAID-UHFFFAOYSA-N 328.284 1.832 5 1 EDBF C[C@@H]1CCCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377829937 UWHILMHHLNRYAC-SECBINFHSA-N 326.289 1.870 5 1 EDBF CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCNC2=O)[C@@H]1O 27518242 FDSMSRRFAXQXGX-KOLCDFICSA-N 327.362 1.645 5 1 EDBF CN1CCC=C([C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 49089563 JMSQVQITEUKALS-MRXNPFEDSA-N 331.372 1.698 5 1 EDBF COc1ccc2c(c1)cc1c(=O)nc(N3CCN(C)CC3)nc-1n2C 28651864 MKDYXKQRWPFTDH-UHFFFAOYSA-N 339.399 1.194 5 1 EDBF O=C(Cc1ccc(O)cc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 473115477 SVKJTQOUBHGHIJ-UHFFFAOYSA-N 329.312 1.598 5 1 EDBF O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)s2)s1 40379376 WBLQQGRKHOZAOL-UHFFFAOYSA-N 346.415 1.410 5 1 EDBF COCCNC(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 2957359 UFOMWJYYCOTJNR-UHFFFAOYSA-N 331.759 1.877 5 1 EDBF COC1=C[C@@H]2CC(=O)N(C2)[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 26494639 NIRLNZTUEPBPJA-ABAIWWIYSA-N 332.312 1.399 5 1 EDBF N[C@@H](C(=O)NCCc1ccc(O)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 87672214 PYTGEMUEWITUSH-CVEARBPZSA-N 345.355 1.020 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ncc[nH]c-2n1 587118328 PAMRRVVDZLVZTA-UHFFFAOYSA-N 327.226 1.785 5 1 EDBF C[C@@](O)(CO)[C@@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 14682405 DCMFBSAIEOOTHJ-SCLBCKFNSA-N 344.319 1.404 5 1 EDBF biogenic C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586961805 LYHOGSDOUQLPCB-YFKPBYRVSA-N 333.333 1.797 5 1 EDBF C[C@H](c1nc2nc(Br)c[nH]c-2n1)n1cc([N+](=O)[O-])cn1 587276075 IVTTWJBJOLMHNK-RXMQYKEDSA-N 338.125 1.781 5 1 EDBF O=[N+]([O-])c1cc(-c2nc3ccnc(O)c3[nH]2)nn1CC(F)(F)F 587091232 CNWJXZPPSXCCFW-UHFFFAOYSA-N 328.210 1.998 5 1 EDBF O=c1[nH]c(=O)n(COCc2ccccc2)c2ccc([N+](=O)[O-])cc12 1443184 RXRSHLAXLKYLQE-UHFFFAOYSA-N 327.296 1.772 5 1 EDBF Cn1c(=O)nc2n(-c3cccc([N+](=O)[O-])c3)c3ccccc3nc-2c1=O 29482934 QSIZBFHLKAOJCX-UHFFFAOYSA-N 349.306 1.492 5 1 EDBF O=C1Nc2cc(F)c([N+](=O)[O-])cc2[C@@]12NCCc1ccc(O)cc12 963351586 GYXFSITYQAOSKL-MRXNPFEDSA-N 329.287 1.781 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263920 PARZFWSTQZEOBB-CXDNMWRASA-N 345.359 1.947 5 1 EDBF Nc1nc2oc3ccc(C4=CCNCC4)cc3c(=O)c2cc1C(=O)O 1857774607 KBAOZFPNRPZXQD-UHFFFAOYSA-N 337.335 1.998 5 1 EDBF C[N@@+]1([O-])CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 299848834 MSPKPJXNNSETAB-IOHZKQFHSA-N 331.324 1.056 5 1 EDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587273113 DWELFIWGRYUPSK-MRVPVSSYSA-N 342.315 1.802 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@](C)(O)CO)O3 14689062 RQAGSTDFTGSIGB-HNAYVOBHSA-N 341.363 1.444 5 1 EDBF endogenous,in-man O=C(N[C@@H]1C(=O)NN[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 1622774 ALWSDUMBUGJGDX-KGLIPLIRSA-N 326.312 1.069 5 1 EDBF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587647116 QIPIATJOGKZTIO-UHFFFAOYSA-N 346.343 1.210 5 1 EDBF O=C(O)C[C@@H](O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586889177 JQOZRDLTOJRZKG-LURJTMIESA-N 344.121 1.612 5 1 EDBF CCn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCNCC3)cc21 28766579 UWIUJZVZFMWKIX-UHFFFAOYSA-N 346.343 1.037 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H]1OC[C@](C)(O)[C@@H]1O3 38230312 SWALXCKAJQTSAC-OTWHNJEPSA-N 339.347 1.981 5 1 EDBF endogenous,in-man O=C1[C@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967171 KMNZKQMPKMHVAZ-LKFCYVNXSA-N 327.296 1.650 5 1 EDBF Cn1nnc2cc3c4c(cccc4c21)C(=O)N(CC[N+](C)(C)[O-])C3=O 82154453 BDDFDHNGTKPMDZ-UHFFFAOYSA-N 339.355 1.292 5 1 EDBF NC(=O)N1CCc2sccc2[C@@]1(C(=O)O)c1ccc([N+](=O)[O-])cc1 962708043 JPTBULZXYKZVOM-OAHLLOKOSA-N 347.352 1.921 5 1 EDBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCCCC1 1772606267 UHXSSYCQLBTXBK-NSHDSACASA-N 344.462 1.965 5 1 EDBF NC(=O)c1nc([N+](=O)[O-])cn1Cc1cccc(OC(F)(F)F)c1 1772584160 RWOVYJYEXYDPQR-UHFFFAOYSA-N 330.222 1.837 5 1 EDBF COc1cc(C(=O)Nc2nnn[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)c1 29317731 MJUGQQDMMGFRET-UHFFFAOYSA-N 341.287 1.431 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=N)N)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264830 TYGSNJIUIKIYTN-MIMYLULJSA-N 329.360 1.507 5 1 EDBF CN1CCN(c2ccc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3c2)CC1 587275099 UJJKGRDCICDSPG-UHFFFAOYSA-N 341.375 1.623 5 1 EDBF Nc1ncc(-c2nc3nc(Br)c[nH]c-3n2)cc1[N+](=O)[O-] 587267836 GTSOWXVVSULKEX-UHFFFAOYSA-N 336.109 1.619 5 1 EDBF CCCNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 29309229 DSGYVNLCXQKEND-INIZCTEOSA-N 332.360 1.837 5 1 EDBF CC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100219024 NVOYVOBDTVTBDX-UWEZYZIASA-N 332.420 1.453 5 1 EDBF O=[N+]([O-])c1nc2n(n1)C[C@@H](Oc1ccc(OC(F)(F)F)cc1)CO2 1772638036 BREWIOQPPAYDDE-SECBINFHSA-N 346.221 1.925 5 1 EDBF O=C1[C@@H](O)N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1CCO 26168625 GIUSCTCLCVFQFZ-MRXNPFEDSA-N 341.323 1.090 5 1 EDBF C[C@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277444 WDNHTTNQTPLACP-MRVPVSSYSA-N 335.345 1.680 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264848 UMLVENRDQZTFAK-IEBDPFPHSA-N 330.344 1.322 5 1 EDBF COc1ccc(-c2nc3c(N)nc(N)nc3[nH]2)c([N+](=O)[O-])c1OC 45337658 KPPDRYYQUQGXFT-UHFFFAOYSA-N 331.292 1.110 5 1 EDBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(O)nc(N)nc3[nH]2)c1 587262821 YHNQKILYGNABTI-UHFFFAOYSA-N 330.304 1.479 5 1 EDBF CC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 100046786 NVOYVOBDTVTBDX-XGWMKZBJSA-N 332.420 1.453 5 1 EDBF in-man COC(=O)[C@@H](c1c([N+](=O)[O-])cn2c1CCCCC2)S(C)(=O)=O 1772643005 VKIDJVZZROOGRS-GFCCVEGCSA-N 330.362 1.381 5 1 EDBF COc1ccc([N+](=O)[O-])c([C@H]2NCCc3c(C(=O)O)cccc32)n1 963146687 NOGOPNGUSIIJCT-AWEZNQCLSA-N 329.312 1.932 5 1 EDBF COC(=O)[C@H]1C[C@H](C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc21 1618394 SPUHVDUAILHJNC-IUCAKERBSA-N 331.284 1.455 5 1 EDBF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCC[N+](C)(C)CCO)C(=O)O 26026973 LZXNOKQBOBWIFK-BUYRESAOSA-O 341.472 1.746 5 1 EDBF CC[C@@H](C)CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743362 ZBDVIWWAJGDHPV-SECBINFHSA-N 332.360 1.529 5 1 EDBF CN1CCC=C([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 49089504 MLPGRJIAFZSJCN-INIZCTEOSA-N 331.372 1.698 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262786 HYGMYGDLUNUABK-IEBDPFPHSA-N 331.328 1.922 5 1 EDBF Cn1cncc1CN1CC[C@H](Nc2ccc(CO)c([N+](=O)[O-])c2)C1 1857654166 CYPIDFSWPQPKIM-AWEZNQCLSA-N 331.376 1.507 5 1 EDBF Cn1c(=O)nc2n(-c3ccc(C(=O)O)cc3)c3ccccc3nc-2c1=O 29480140 JRFPKIBSRIDNOQ-UHFFFAOYSA-N 348.318 1.282 5 1 EDBF O=[N+]([O-])c1nc2n(n1)C[C@H](Oc1ccc(C(F)(F)F)cn1)CO2 1772576821 VBUJBHNTSHKXFE-ZETCQYMHSA-N 331.210 1.440 5 1 EDBF CCOC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 5767699 ASFKDMGPCIPEQK-UHFFFAOYSA-N 328.280 1.907 5 1 EDBF CC(C)[C@@H]1OC[C@@H]2[C@H](CO1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 101269591 KFJZWVNXYVVSOG-SPNCFVGKSA-N 342.373 1.365 5 1 EDBF C[C@@](O)(CO)[C@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 14682408 DCMFBSAIEOOTHJ-FZKQIMNGSA-N 344.319 1.404 5 1 EDBF biogenic C[C@H](O)CN(C[C@@H](C)O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 96272547 NFPBOXGNMIWNKO-PHIMTYICSA-N 348.359 1.189 5 1 EDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 587272513 NKMHMAYMVZPGHM-KBPBESRZSA-N 342.311 1.504 5 1 EDBF Cc1cccc(-n2nc([N+](=O)[O-])c(=NCc3cccnc3)n2O)c1 263592175 MZUOITHPELMPIT-UHFFFAOYSA-N 326.316 1.624 5 3 EDBF O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)C[C@H](O)C2 169685710 FUYZHQGVZXPEJY-VIFPVBQESA-N 327.296 1.323 5 1 EDBF COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cn1 587264345 MDOLCJQCBRMAEM-VIFPVBQESA-N 329.316 1.823 5 1 EDBF COC(=O)c1ccc(O)c2oc3cc(CCO)cc(O)c3c(=O)c12 205967477 JZQLBTXRWMDLPL-UHFFFAOYSA-N 330.292 1.679 5 1 EDBF CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C 101660801 FSGYKLAGSGORJN-VZAMPYOESA-N 348.355 1.918 5 1 EDBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(N)=O 82082384 QMNHIXYQRUOKFO-LBPRGKRZSA-N 348.384 1.958 5 1 EDBF Cc1cc(N(C)Cc2nc3c(O)nc(N)nc3[nH]2)c([N+](=O)[O-])cc1F 587137007 OKODTWFNVALTBM-UHFFFAOYSA-N 347.310 1.633 5 1 EDBF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@+](C)(C2)[C@@H]31 299815507 LZPDNHOXYKPJNZ-LCWAXJCOSA-N 332.420 1.836 5 1 EDBF COc1cc(OCc2nc3c(O)nc(S)nc3[nH]2)ccc1[N+](=O)[O-] 587262109 OHDJLTNIUKXTDR-UHFFFAOYSA-N 349.328 1.843 5 1 EDBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 587266167 WGUNZZZIQNNEAV-LURJTMIESA-N 344.291 1.925 5 1 EDBF Cc1[nH]c(=O)nc2nc3ccc(Cl)cc3c(NC(C)(CO)CO)c12 17251852 ICDIHYFFLIAXRI-UHFFFAOYSA-N 348.790 1.588 5 1 EDBF O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCOCC1 425572 UHWZOIHSRIYUPN-UHFFFAOYSA-N 343.770 1.974 5 3 EDBF COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc12 587262273 HBJKPRIMTGFBJI-MIMYLULJSA-N 346.343 1.405 5 1 EDBF COCCNc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-] 587266416 WYAGYPQQHZRPPS-UHFFFAOYSA-N 330.304 1.692 5 1 EDBF O=[N+]([O-])c1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)c([N+](=O)[O-])c1 587263928 IEGJEJFDMRCKGX-UHFFFAOYSA-N 348.300 1.754 5 1 EDBF CN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1 586928867 MQLYWQWHYUBPRK-UHFFFAOYSA-N 348.344 1.082 5 1 EDBF O=[N+]([O-])c1nn(-c2cccc(Cl)c2)n(O)/c1=N/Cc1cccnc1 100495036 UKNAXKPALNEVPA-GHRIWEEISA-N 346.734 1.969 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587263970 PRLZHSGPNLOHJR-VGMNWLOBSA-N 333.304 1.527 5 1 EDBF N[C@@H](CP(=O)(O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586919842 IFOGGRISACAXNQ-JTQLQIEISA-N 343.283 1.837 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263239 KVDUCCWKTZNXNB-FSDSQADBSA-N 337.361 1.008 5 1 EDBF Cc1c(C(=O)O)[nH]c2ccc3[nH]c(C(=O)O)c(C)c(=O)c3c2c1=O 169336977 VNKWUJOWSQCYTR-UHFFFAOYSA-N 328.280 1.383 5 1 EDBF O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1cccnc1 263592244 XPFOCIMRAVMVDQ-UHFFFAOYSA-N 346.734 1.969 5 3 EDBF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587647155 SDBAGXIBVANWCL-UHFFFAOYSA-N 346.343 1.210 5 1 EDBF N=c1[nH]cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc-2[nH]1 587091751 IIQNYVWSGOARLG-UHFFFAOYSA-N 328.214 1.051 5 1 EDBF CN1CCC=C([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 49112645 OEBDRQPQNSAAMB-MRXNPFEDSA-N 331.372 1.698 5 1 EDBF CNC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(COC2=O)C1 28115684 NUPZYTFVPWERIM-ZDUSSCGKSA-N 344.323 1.582 5 1 EDBF CN1CCN(c2cccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 28108364 OFZSCUBRMRBITQ-UHFFFAOYSA-N 344.371 1.870 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@@H]1C[N+](=O)[O-] 587263631 MZYKSVOSAFQNMN-FSDSQADBSA-N 338.755 1.031 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(O)CC1 84724793 PLIRUABIUBMJJO-UHFFFAOYSA-N 330.435 1.575 5 1 EDBF CC1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@@H]1O 84653026 ZIBAECMBKDHVPT-WBVHZDCISA-N 344.319 1.923 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@](C)(O)CO)O3 14689056 RQAGSTDFTGSIGB-BEFAXECRSA-N 341.363 1.444 5 1 EDBF endogenous,in-man C[C@@H](CO)NC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228919 XRKFNEWQHZIGHM-NSHDSACASA-N 327.336 1.822 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H](O)[C@@H]([C@@]1(C)CO1)O3 14689023 JRMIBKXNMDYCPR-GBESFXJTSA-N 339.347 1.981 5 1 EDBF endogenous,in-man C[C@H](c1ccc([N+](=O)[O-])cc1)N1C[C@H](N)[C@H](C(=O)N2CCCC2)C1 28955065 FVEPPGNZFFPAJK-WQVCFCJDSA-N 332.404 1.537 5 1 EDBF CC(=O)OCc1cccc2oc3cc(=O)c(N)c(C(=O)O)c-3nc12 13397165 OOJRQEQZHJFOHW-UHFFFAOYSA-N 328.280 1.636 5 1 EDBF biogenic CC[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1 299810331 SJOLWQZOAAVHCY-PSBWJHGTSA-N 333.384 1.215 5 1 EDBF COC(=O)CN(C)c1nc(NCCc2ccccc2)ncc1[N+](=O)[O-] 653893408 CWRJYUKAAAVOMD-UHFFFAOYSA-N 345.359 1.649 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(S)nc(S)nc2[nH]1 587266812 AWVTWNRPVVJNHM-YFKPBYRVSA-N 337.390 1.953 5 1 EDBF O=C(O)[C@H]1C(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1C(=O)O 587970543 JWKHPFAHZUJAGR-IUCAKERBSA-N 325.664 1.623 5 1 EDBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587231387 WSHWIZKYPZLOSF-QWRGUYRKSA-N 347.375 1.903 5 1 EDBF CCc1nc(N)nc(N)c1-c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 26494862 DGLCLFKOBNTETD-UHFFFAOYSA-N 343.391 1.188 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(N)ncc2[nH]1 587118176 ONIIWQRMVKUPDM-UHFFFAOYSA-N 341.253 2.020 5 1 EDBF O=C1[C@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967162 KMNZKQMPKMHVAZ-YMTOWFKASA-N 327.296 1.650 5 1 EDBF Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1 26577046 ODDAGPPBKZRYEU-UHFFFAOYSA-N 330.367 1.955 5 1 EDBF Nc1nc(N)c(CCCNc2cc(F)cc(F)c2[N+](=O)[O-])c(=O)[nH]1 29249927 MFLZVZQTSXKZIT-UHFFFAOYSA-N 340.290 1.165 5 1 EDBF NC(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587269765 OPBIQPPGHHKAPO-UHFFFAOYSA-N 349.310 1.818 5 1 EDBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccn(C)n1 587647032 DCDFUNGZGQOGCA-UHFFFAOYSA-N 328.284 1.827 5 1 EDBF COC1=C[C@]23CCC[N+]2([O-])CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 13385010 AZWNRVNQMXFTSX-KAKFPZCNSA-N 331.368 1.807 5 1 EDBF biogenic,in-vitro C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587225826 VCMVKTRPVGAMPH-SNVBAGLBSA-N 341.327 1.950 5 1 EDBF Cc1ccc2c(c1)c(=O)c1c(NCCNCCO)ccc3nnn2c31 101455290 WAQQGGWBCGSMEV-UHFFFAOYSA-N 337.383 1.136 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261922 FBMUCHSDJPOPTJ-WXHSDQCUSA-N 331.372 1.758 5 1 EDBF Cn1c([N+](=O)[O-])cnc1[S@](=O)CCOc1ccc(C(=O)O)cc1 169346994 CJVTWIUXAXNMRR-HSZRJFAPSA-N 339.329 1.213 5 1 EDBF CCOCn1c(C)c(CNc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 28866794 FLZJGJWZYOBUNA-UHFFFAOYSA-N 334.332 1.359 5 1 EDBF Nc1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 587267606 BKBJOADIWVDGHW-UHFFFAOYSA-N 345.231 1.932 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264372 QUSUHQINXPJDGN-HLTSFMKQSA-N 343.343 1.805 5 1 EDBF O=C(Nc1ncc([N+](=O)[O-])s1)N[C@@H](Cc1ccccc1)C(=O)O 1857577345 ZYCDGACMWZXZFP-VIFPVBQESA-N 336.329 1.869 5 1 EDBF CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1 253674388 SJOLWQZOAAVHCY-ISARSNTHSA-N 333.384 1.215 5 1 EDBF NS(=O)(=O)c1ccc(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586930060 NVKPQEUCWPUZCX-UHFFFAOYSA-N 346.368 1.904 5 1 EDBF Nc1nc(OCc2ccccc2)c([N+](=O)[O-])c(N2CCOCC2)n1 66074614 GNZZLMIWYFLHPN-UHFFFAOYSA-N 331.332 1.383 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]1C[N+](=O)[O-] 587261306 AQRGPSXGUNOYME-OUAUKWLOSA-N 345.355 1.995 5 1 EDBF CCOC(=O)[C@@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570481 ODENSYMIJCZMFO-OKGXIFKESA-N 345.358 1.766 5 1 EDBF COc1nccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920992 UQSQFJQLQGJDAE-UHFFFAOYSA-N 348.340 1.849 5 1 EDBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(C(O)O)O2 587390957 SYXAQFUIRVBMID-QGZVFWFLSA-N 344.323 1.657 5 1 EDBF CNS(=O)(=O)NCc1nc2c3cccnc3c3ncccc3c2[nH]1 586943350 SGANUVRBLOBNNW-UHFFFAOYSA-N 342.384 1.213 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccnc(N)c2[nH]1 587116748 CSUGNUIBCPYQOB-UHFFFAOYSA-N 341.253 2.020 5 1 EDBF Cc1cc(=O)n(C)c2c3c4c(cc12)c(C)cc(=O)n4[C@H](CN)CO3 1857558899 BJHHVEWRGQETER-LLVKDONJSA-N 325.368 1.362 5 1 EDBF CN(C)c1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1 29483555 GUCHNDPLCPXFGK-UHFFFAOYSA-N 347.378 1.650 5 1 EDBF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 29405617 RPIJLIWZXBTJDU-MRVPVSSYSA-N 349.221 1.055 5 1 EDBF CN(C)C(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587197164 KNMJMIKKHVVMNE-UHFFFAOYSA-N 327.138 1.864 5 1 EDBF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C[N+](=O)[O-] 169325997 ACRHPXOAKQUUBQ-CABCVRRESA-N 336.388 1.826 5 1 EDBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CNC(=O)c3ccco3)nn1)C2 100597409 CGLAHZYIMVZESD-QKDCVEJESA-O 330.412 1.743 5 1 EDBF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)C=C3CC[N@+](C)(C2)[C@H]31 299815508 LZPDNHOXYKPJNZ-USYVTKNRSA-N 332.420 1.836 5 1 EDBF COC(=O)c1ccnc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc12 587267789 QYQIWDRAKNDYFF-MRVPVSSYSA-N 330.304 1.767 5 1 EDBF Nc1nc(N)c(CCCNc2ccc([N+](=O)[O-])c(F)c2F)c(=O)[nH]1 29247703 GIYHQTLSVHDCIT-UHFFFAOYSA-N 340.290 1.165 5 1 EDBF O=[N+]([O-])c1ccc(CN2C[C@H](N3CCCC3)CS2(=O)=O)cc1 61923697 UUJAGQJMXDLTQP-AWEZNQCLSA-N 325.390 1.205 5 3 EDBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cnn(C)c1 587647685 MHXABJYQKNALGH-UHFFFAOYSA-N 328.284 1.827 5 1 EDBF Cc1cc(C)n(-c2nnc3nnc(-c4ccc([N+](=O)[O-])cc4)n3n2)n1 1772651863 QMCKMLDPULZODR-UHFFFAOYSA-N 337.303 1.292 5 1 EDBF CN(C)CCNC(=O)c1cccc2nc3ccc4[nH]ncc4c3nc12 27859240 WDPCHKUSAQFTNL-UHFFFAOYSA-N 334.383 1.951 5 1 EDBF O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@H]([C@]1(CO)CO1)O3 29041993 LWMFXNWNAFUDRZ-KDOFPFPSSA-N 326.304 1.717 5 1 EDBF biogenic COCCOc1ccc(-c2nc3ccnc(N)c3[nH]2)cc1[N+](=O)[O-] 587266428 XIVKFDSLFKZXLK-UHFFFAOYSA-N 329.316 2.141 5 1 EDBF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 29405620 RPIJLIWZXBTJDU-QMMMGPOBSA-N 349.221 1.055 5 1 EDBF COC(=O)c1ccc2c(=O)c3c(OC)cc(CCO)cc3oc2c1O 238784621 KNXDFRSQMVHEBU-UHFFFAOYSA-N 344.319 1.982 5 1 EDBF Nc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1N 587265405 UAICTLICJSCSIC-JTQLQIEISA-N 328.332 1.584 5 1 EDBF O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccccn1 7282683 CWZNLIFVJRWTQV-UHFFFAOYSA-N 328.284 1.214 5 1 EDBF CCn1c(C(=O)O)cc(=O)c2cc3c(=O)cc(C(=O)O)oc3cc21 29545366 XGVCZKSCQNCVKC-UHFFFAOYSA-N 329.264 1.524 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262785 HYGMYGDLUNUABK-FBIMIBRVSA-N 331.328 1.922 5 1 EDBF CN1C(=O)C[C@@H]2CN[C@H](c3cc([N+](=O)[O-])nn3C)c3cccc1c32 963036574 UFJHWCQSTHLFCE-ABKXIKBNSA-N 327.344 1.471 5 1 EDBF COc1ccc2c(c1)cc1c(=O)nc(N3CCOCC3)nc-1n2C 28651844 NYYSFABOHXESKX-UHFFFAOYSA-N 326.356 1.279 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]1C[N+](=O)[O-] 587261304 AQRGPSXGUNOYME-GMTAPVOTSA-N 345.355 1.995 5 1 EDBF C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587553083 FJTUFGDUJBAEAE-SLBFFKMLSA-N 334.288 1.004 5 1 EDBF O=[N+]([O-])c1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)c([N+](=O)[O-])c1 587263781 DTOQBHSJSCWSIS-UHFFFAOYSA-N 332.232 1.171 5 1 EDBF NC(=O)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587264604 OEKZAOSEFYPXBX-JTQLQIEISA-N 341.327 1.518 5 1 EDBF CN(C)CCNC(=O)c1cccc2nc3ccc4cnn(C)c4c3nc12 27851709 OKRIKDYVMDGFJU-UHFFFAOYSA-N 348.410 1.961 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCNCCCCn1ccnc1[N+](=O)[O-] 1637826 CMHKPKFFNKEPEL-UHFFFAOYSA-N 337.340 1.274 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CO[C@H]2CCCCO2)nn1 40918496 RMFVCMJSQIZMII-AWEZNQCLSA-N 336.352 1.435 5 1 EDBF CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1 586929565 YBDSFZCRYRRWDX-UHFFFAOYSA-N 347.356 1.687 5 1 EDBF OCC(CO)NC[C@@H](O)COc1cc2ccccc2c2ccccc12 16052580 WXMOCMHFWHZBSU-MRXNPFEDSA-N 341.407 1.676 5 1 EDBF in-vitro O=C(Nc1cc2c(=O)[nH]c3ccccc3c2oc1=O)c1cnccn1 1652904 XMXBHIZNDMHXCY-UHFFFAOYSA-N 334.291 1.677 5 1 EDBF O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 1928046 LODOEFHBQGKHAP-UHFFFAOYSA-N 337.719 1.251 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264849 UMLVENRDQZTFAK-MIMYLULJSA-N 330.344 1.322 5 1 EDBF CC(C)(C)[N+](C)(C)C[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 169319509 VFFDEMMOAGDEAX-UAGQMJEPSA-N 338.468 1.122 5 1 EDBF CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1 1575842 SJOLWQZOAAVHCY-QVUZWJOHSA-N 333.384 1.215 5 1 EDBF NS(=O)(=O)Oc1ccc2c(c1)oc(=O)c1c3ccc(O)cc3oc21 28090942 SXBMESQOHCEITN-UHFFFAOYSA-N 347.304 1.980 5 1 EDBF O=[N+]([O-])c1ccc(S(=O)(=O)CCCCCCO)c2nonc12 299822895 PTYKXUOZNAPRFL-UHFFFAOYSA-N 329.334 1.457 5 1 EDBF CNS(=O)(=O)c1cc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)n(C)c1 586947515 QJBGPHYYDVGYHX-UHFFFAOYSA-N 349.372 1.693 5 1 EDBF COc1cc2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43 238755734 LYQKFMPSKZLVMJ-UHFFFAOYSA-N 330.248 1.919 5 1 EDBF CCN(CC)C(=S)SC[C@@H](O)Cn1c([N+](=O)[O-])cnc1C 1772655697 YUUFACGXDJKGFQ-JTQLQIEISA-N 332.451 1.821 5 1 EDBF COc1cc2oc(C(=O)O)cc(=O)c2c2oc(C(=O)O)cc(=O)c12 39202151 IWKJKCWKIIXNBS-UHFFFAOYSA-N 332.220 1.304 5 1 EDBF CC1(C)OC[C@H](Cn2cc([C@@H](O)c3ccc([N+](=O)[O-])cc3)nn2)O1 1772643634 PFBJIUWLUFZGSW-JSGCOSHPSA-N 334.332 1.420 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587273615 JELBKUGMUPLSHM-UHFFFAOYSA-N 327.226 1.785 5 1 EDBF C[N+]1(C)C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Oc2ccccc2)C1 4580931 QYMKNXONXJPRSW-CVEARBPZSA-N 334.352 1.864 5 1 EDBF C[C@@]1(COc2ncc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 653725601 WNFHFRFAJZYWAC-NSHDSACASA-N 345.237 1.830 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587265443 UJQFONHUFHFGID-QMMMGPOBSA-N 344.287 1.722 5 1 EDBF C[N+]1([O-])CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 96909154 MSPKPJXNNSETAB-QEJHCFMCSA-N 331.324 1.056 5 1 EDBF C/C=C1/C[N+]2(C)CC[C@]34C(=O)c5ccccc5N3[C@@H](CO)[C@H]1C[C@@H]42 33955110 IMTBHUUDGATBHM-KNJQSPIPSA-N 325.432 1.988 5 1 EDBF CC(C)CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1 13743361 HOMWLSDYGRRTHB-UHFFFAOYSA-N 332.360 1.529 5 1 EDBF CC[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1 299810332 SJOLWQZOAAVHCY-QFHJOOASSA-N 333.384 1.215 5 1 EDBF CN(C)C(=O)N(CCN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 40845691 PXEVEAJEUYTKAJ-UHFFFAOYSA-N 336.392 1.411 5 1 EDBF Cc1nc(CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1CCO 40407783 SCBHTHPIOXEIIS-UHFFFAOYSA-N 343.336 1.205 5 1 EDBF COC(=O)c1c(O)ccc2oc3cc(CO)cc(OC)c3c(=O)c12 2356723399 HPIAUNTWHZWWSS-UHFFFAOYSA-N 330.292 1.939 5 1 EDBF COc1ccc(COC(=O)CN)c2nc3cccc(C(=O)O)c3nc12 3918949 QYYNGHDLTPGQCH-UHFFFAOYSA-N 341.323 1.492 5 1 EDBF biogenic O=C1[C@@H]2[C@@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967179 UCFITUSUJMLGAM-KBPBESRZSA-N 327.296 1.650 5 1 EDBF NS(=O)(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 103260811 CETDDZKQFNMZCA-UHFFFAOYSA-N 347.308 1.043 5 1 EDBF O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1ccccc1[N+](=O)[O-] 28003600 QTNBSFZAKHDVMM-ZDUSSCGKSA-N 335.291 1.415 5 1 EDBF O=C(O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 43069269 SMMWQABJSRKMNG-UHFFFAOYSA-N 347.308 1.880 5 1 EDBF O=C(O)c1nc2cc(-n3ccc(=O)cc3)c([N+](=O)[O-])cc2nc1O 13553634 JNAXZRBSQSIPFZ-UHFFFAOYSA-N 328.240 1.093 5 1 EDBF CNS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n(C)c1 586947543 ROCKGTPVIVHEFF-UHFFFAOYSA-N 335.345 1.385 5 1 EDBF O=C(CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1)Oc1ccccc1 1857642773 SDNRDQZMFJLWLD-UHFFFAOYSA-N 345.355 1.911 5 1 EDBF CC(=O)Nc1ccc(CO[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 5663645 SBSAPGGSRJWVNA-MRXNPFEDSA-N 337.376 1.874 5 1 EDBF Nc1ncc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1[N+](=O)[O-] 587268392 VEJNJIASZWDZSA-UHFFFAOYSA-N 335.301 1.362 5 1 EDBF COc1cc(-c2nc3[nH]c(N)nc(N)c-3n2)c([N+](=O)[O-])cc1OC 13765328 RODHWFQOANIJGV-UHFFFAOYSA-N 331.292 1.061 5 1 EDBF C[C@@H](c1nc2nc(Br)c[nH]c-2n1)n1cc([N+](=O)[O-])cn1 587276078 IVTTWJBJOLMHNK-YFKPBYRVSA-N 338.125 1.781 5 1 EDBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)[C@H](O)c1ccc(Br)cc1 40976749 OQCHQQPCSOWWDG-MNOVXSKESA-N 342.149 1.858 5 1 EDBF CO[C@@]12C[C@@]34CCC[N+]3([O-])C[C@@H](O1)c1cc3c(cc1[C@H]4[C@H]2O)OCO3 238786757 WYQWCEWPLRLVSZ-XFLGDGAISA-N 347.367 1.538 5 1 EDBF O=C(CNCc1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 201472197 XCGPTYYDLRRFAU-UHFFFAOYSA-N 335.360 1.050 5 3 EDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@H](NC(C)=O)[C@H](O)C(C)(C)O2 26644627 RWPIKYXHXPEWNF-KBPBESRZSA-N 337.332 1.262 5 1 EDBF OCC(CO)NC[C@H](O)COc1cc2ccccc2c2ccccc12 16052581 WXMOCMHFWHZBSU-INIZCTEOSA-N 341.407 1.676 5 1 EDBF in-vitro CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12)c1ccccc1 253674383 SJOLWQZOAAVHCY-DKKFBQAASA-N 333.384 1.215 5 1 EDBF C[N+]1(C)C[C@@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@@]([N+](=O)[O-])(C2)C1 100570930 QYMKNXONXJPRSW-HZPDHXFCSA-N 334.352 1.864 5 3 EDBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O 27642982 JQTQQGYAYKWJJZ-XPUSAXDISA-N 334.328 1.762 5 1 EDBF CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@H]12)c1ccccc1 253674391 SJOLWQZOAAVHCY-JFRXWTBNSA-N 333.384 1.215 5 1 EDBF NCCOCCOCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587246216 MFVCDYJDRZXODE-UHFFFAOYSA-N 328.756 1.659 5 1 EDBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(O)nc(O)nc2[nH]1 587269891 SSNIXVFVGDISIO-UHFFFAOYSA-N 331.244 1.064 5 1 EDBF CCOC(=O)[C@@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570479 ODENSYMIJCZMFO-IRQDQGPISA-N 345.358 1.766 5 1 EDBF C[N+]1(C)C[C@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@]([N+](=O)[O-])(C2)C1 100570933 QYMKNXONXJPRSW-HOTGVXAUSA-N 334.352 1.864 5 1 EDBF O=C(NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cccnc1 1911583299 XGIBMWPRJQVLGI-UHFFFAOYSA-N 338.327 1.560 5 1 EDBF CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)o1 586931101 KWHNTVYGUGJRLP-UHFFFAOYSA-N 336.329 1.981 5 1 EDBF COC1=C[C@@H]2CC(=O)N(C2)[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 26494642 NIRLNZTUEPBPJA-IAQYHMDHSA-N 332.312 1.399 5 1 EDBF Cc1cc(=NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)nn2)[nH]o1 1857548315 TXBCASGHAGHAFS-UHFFFAOYSA-N 328.288 1.210 5 1 EDBF C[C@@H](O)CNC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228922 HFHZOSGFAKTHOK-LLVKDONJSA-N 327.336 1.822 5 1 EDBF CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586943168 XEJSPLJGASGSEY-UHFFFAOYSA-N 346.796 1.996 5 1 EDBF CN1C(=O)C[C@H]2CN[C@H](c3cc([N+](=O)[O-])nn3C)c3cccc1c32 963036575 UFJHWCQSTHLFCE-FVMDXXJSSA-N 327.344 1.471 5 1 EDBF CS(=O)(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587267803 GDERGDBRUIVGCL-UHFFFAOYSA-N 333.329 1.519 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2nc(Br)c[nH]c-2n1 587274900 VYUFPLKSBAKCMD-UHFFFAOYSA-N 338.125 1.528 5 1 EDBF O=C1C[C@H](OCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CO[C@@H]1O2 1911582139 HQDZEGIZLXTGON-ARFHVFGLSA-N 346.295 1.849 5 1 EDBF COC(=O)c1ccc(O)c2nc3c(C(=O)OC)ccc(O)c3nc12 15111834 KJEMIJYZGDIPQC-UHFFFAOYSA-N 328.280 1.767 5 1 EDBF biogenic Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587267435 KREBECUCUSOXFS-MRVPVSSYSA-N 342.315 1.916 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCO4)[C@@H]1C[N+](=O)[O-] 587263256 KXSSIZMAIRNIST-KXUCPTDWSA-N 331.328 1.952 5 1 EDBF O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@H]([C@@]1(CO)CO1)O3 29041995 LWMFXNWNAFUDRZ-RDTXWAMCSA-N 326.304 1.717 5 1 EDBF biogenic NC(=O)c1cccc(C[C@H](N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587259982 LIPGLIZBFDXBPS-LBPRGKRZSA-N 325.328 1.813 5 1 EDBF COc1ccc(CNC(=O)[C@H](N)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 87672212 QCMKCYFEGCLQKP-CVEARBPZSA-N 345.355 1.281 5 1 EDBF Cc1cc([N+](=O)[O-])nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O 587653551 YIMCJSNBEGTZET-UHFFFAOYSA-N 347.718 1.803 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587263242 KVDUCCWKTZNXNB-VQVTYTSYSA-N 337.361 1.008 5 1 EDBF Cn1c2cc(=N)ccc-2nc2c(C(=O)O)cc(S(=O)(=O)O)cc21 59064743 MAAJOYIJLQLODY-UHFFFAOYSA-N 333.325 1.102 5 1 EDBF in-vitro COc1ccc([N+](=O)[O-])c([C@@H]2NCCc3c(C(=O)O)cccc32)n1 963146689 NOGOPNGUSIIJCT-CQSZACIVSA-N 329.312 1.932 5 1 EDBF Cn1c2nc(N3CCOCC3)nc(=O)c-2cc2cc(Cl)ccc21 28651834 LWTLMTGLBRQBLF-UHFFFAOYSA-N 330.775 1.923 5 1 EDBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccn(C)n1 587647971 WFWBVEWVCPVOER-UHFFFAOYSA-N 328.284 1.827 5 1 EDBF Nc1nc(N)c(CCCNc2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1 29248149 ASEAHCYDIZVUDD-UHFFFAOYSA-N 340.290 1.165 5 1 EDBF O=c1c2cc(Cl)c([N+](=O)[O-])cc2nnn1[C@@H]1CN2CCC1CC2 26743273 XULVFQFXXXVUPZ-CYBMUJFWSA-N 335.751 1.620 5 1 EDBF O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1C(=O)O 587970544 JWKHPFAHZUJAGR-PSVAKVPMSA-N 325.664 1.623 5 1 EDBF COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@H](OC)C=C3CC[N+](C)(C2)[C@H]31 31904867 LZPDNHOXYKPJNZ-MGXUXCEGSA-N 332.420 1.836 5 1 EDBF C[N+]1(CCO[P@](=O)(O)OCCOc2ccccc2)CCOCC1 27861409 MNBLOTRKYXJSBA-UHFFFAOYSA-O 346.340 1.676 5 1 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@]1(O)CCO[C@@H]1O3 13374591 WRFZRAPNQYAESY-IAGOWNOFSA-N 328.276 1.684 5 1 EDBF biogenic O=C(Cn1cc([N+](=O)[O-])cn1)n1ncc2ccc(Cl)cc2c1=O 587652276 AZUNSWVFQHDLDT-UHFFFAOYSA-N 333.691 1.495 5 1 EDBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587274890 ONUZSYMDWNGUOC-UHFFFAOYSA-N 333.220 1.688 5 1 EDBF O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCCO)ncc12 199792879 MUSNUVZZCBQNFK-UHFFFAOYSA-N 339.355 1.855 5 1 EDBF O=[N+]([O-])c1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1 28824355 GCAKPGBOLSETPF-UHFFFAOYSA-N 345.363 1.528 5 1 EDBF O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1CCN1CCOCC1 653869278 VWJTYSRGOISYQX-HNNXBMFYSA-N 337.401 1.501 5 1 EDBF O=C(O)C(=O)Nc1cc2c(=O)cc(C(=O)O)[nH]c2c2ccccc12 169323070 ZHTWKXGDSMUQJF-UHFFFAOYSA-N 326.264 1.403 5 1 EDBF CN(C)C(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587198132 ZAGLHGMYVVAIFM-UHFFFAOYSA-N 327.138 1.864 5 1 EDBF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)C=C3CC[N@+]([O-])(C2)[C@H]31 1857745676 LDEKCXQWSBDCPD-QTMHVTGLSA-N 333.384 1.704 5 1 EDBF CC[N+]1(C)[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12 100219018 NVOYVOBDTVTBDX-BLJKSVPZSA-N 332.420 1.453 5 1 EDBF C[C@]1(COc2ncc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 653725600 WNFHFRFAJZYWAC-LLVKDONJSA-N 345.237 1.830 5 1 EDBF CN(C)S(=O)(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586929828 AZDHIRXMMSHLSK-UHFFFAOYSA-N 332.769 1.558 5 1 EDBF CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1N2C 40835298 TUZGSZRCHIXFHP-WCVJEAGWSA-N 348.355 1.918 5 1 EDBF Nc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cn1 587092009 QGAJEXDFEVKVGW-UHFFFAOYSA-N 327.226 1.874 5 1 EDBF COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cn1 587263173 KJLKJUPVLOSGFQ-KXUCPTDWSA-N 346.343 1.405 5 1 EDBF N[C@H](Cc1cc(-c2cccc(C(=O)O)c2)cc([N+](=O)[O-])c1)C(=O)O 1772600682 SXFXSXBKFUFSCC-CQSZACIVSA-N 330.296 1.914 5 1 EDBF O=C(N[C@H]1C(=O)NN[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 1622775 ALWSDUMBUGJGDX-ZIAGYGMSSA-N 326.312 1.069 5 1 EDBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCC1 263592107 FOYKHHSILRAYBC-UHFFFAOYSA-N 347.331 1.434 5 3 EDBF COC(=O)CC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)OC 95598040 NLBHQMGCUYNKHZ-VIFPVBQESA-N 328.346 1.686 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@]1(CO)CO1)O3 14689032 OJJHKXKXZMBCHJ-DNVCBOLYSA-N 339.347 1.462 5 1 EDBF endogenous,in-man CC(C)(Br)C(C)(C)NC[C@H](O)Cn1ccnc1[N+](=O)[O-] 26576684 JZWDKUNTAKNDPX-VIFPVBQESA-N 349.229 1.694 5 1 EDBF COC(=O)c1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cn1 587263174 KJLKJUPVLOSGFQ-LPEHRKFASA-N 346.343 1.405 5 1 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@]1(O)C=CO[C@H]1O3 13374587 HNNJFXGWJORXCI-DLBZAZTESA-N 326.260 1.807 5 1 EDBF biogenic Cc1cc2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2cc1[N+](=O)[O-] 587203901 NKLSOSAAZTVZAW-GFCCVEGCSA-N 347.375 1.858 5 1 EDBF COC(=O)CN(C)c1nc(Nc2cccc(OC)c2)ncc1[N+](=O)[O-] 653869246 LHBBHDDQQWWNAG-UHFFFAOYSA-N 347.331 1.746 5 1 EDBF O=[N+]([O-])c1ccccc1C=c1nc(O)c(=Cc2ccccc2)nc1O 253639079 WWGGRJLUANNLHJ-UHFFFAOYSA-N 335.319 1.454 5 1 EDBF O=C(O)C(=O)Nc1cccc2c1ccc1c(=O)cc(C(=O)O)[nH]c12 5385807 NGUYFQNQFQWDRC-UHFFFAOYSA-N 326.264 1.403 5 1 EDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(S)nc(S)nc2[nH]1 587273321 GSSRKXFZBLXOHD-YFKPBYRVSA-N 337.390 1.839 5 1 EDBF O=C(O)CNC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 2043201 WLNKGRQBMNPVSJ-UHFFFAOYSA-N 346.232 1.140 5 1 EDBF in-vivo CC1=C(C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc3[nH]nnn3c2=O)N1 102809598 OFBMOQFVGDTWRQ-LLVKDONJSA-N 339.315 1.572 5 1 EDBF Cc1nn(-c2ccc([N+](=O)[O-])cc2F)c(=O)n1CCCn1ccnc1 103171792 SOZSDBDYSNBCED-UHFFFAOYSA-N 346.322 1.677 5 1 EDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@@H](NC(C)=O)[C@H](O)C(C)(C)O2 26644633 RWPIKYXHXPEWNF-KGLIPLIRSA-N 337.332 1.262 5 1 EDBF Cc1cc2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2cc1[N+](=O)[O-] 586922946 FHEHEVCFAKKBIW-UHFFFAOYSA-N 349.372 1.628 5 1 EDBF COCCNc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc1[N+](=O)[O-] 587265259 NLPDAKTXTWEFBS-UHFFFAOYSA-N 329.320 1.351 5 1 EDBF CC[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1 254093823 SJOLWQZOAAVHCY-NBMJBFSESA-N 333.384 1.215 5 1 EDBF O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)nn1)Nc1nccs1 1857601815 DLCJYRNEOVILKQ-UHFFFAOYSA-N 330.329 1.949 5 1 EDBF CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 100519857 NVOYVOBDTVTBDX-BWRZOXERSA-N 332.420 1.453 5 1 EDBF in-man CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(N)=O 82082385 QMNHIXYQRUOKFO-GFCCVEGCSA-N 348.384 1.958 5 1 EDBF CC1(C)OC(=O)C(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)=C1N 587254977 AWNNADZJERWRNX-UHFFFAOYSA-N 333.260 1.385 5 1 EDBF N=c1[nH]c2nc(COc3ccc([N+](=O)[O-])c(F)c3)nc-2c(Cl)[nH]1 587152380 ZZAIGPJOWHAASV-UHFFFAOYSA-N 338.686 1.997 5 1 EDBF COC(=O)C1=C(C)NC(=O)N(C(N)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 5523436 CIKULUBECDKHFL-LLVKDONJSA-N 334.288 1.187 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccc(N)nc2)o1 95602839 WPKUZDBUTRVYNG-UHFFFAOYSA-N 347.360 1.919 5 1 EDBF N=c1[nH]cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc-2[nH]1 587270015 VBJCVKMALQMJFE-UHFFFAOYSA-N 325.332 1.892 5 1 EDBF N[C@H](Cc1ccc([N+](=O)[O-])c(-c2cccc(C(=O)O)c2)c1)C(=O)O 1772646875 NGLHFMHHNFCLRK-CYBMUJFWSA-N 330.296 1.914 5 1 EDBF COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@@H](OC)C=C3CC[N+](C)(C2)[C@H]31 1656530 LZPDNHOXYKPJNZ-BJKADDSPSA-N 332.420 1.836 5 1 EDBF O=C(Cc1cccc(O)c1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 473111923 CAZOFSVHVBTHGZ-UHFFFAOYSA-N 329.312 1.598 5 1 EDBF CCOC(=O)c1nc(O)c2cc3cc4c(cc3nc2n1)OCCO4 26580017 SSBFPIGLVLFMCO-UHFFFAOYSA-N 327.296 1.832 5 1 EDBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587231390 WSHWIZKYPZLOSF-WDEREUQCSA-N 347.375 1.903 5 1 EDBF O=C1NC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C1=O 13683245 RFENAPIXTTTXOV-UHFFFAOYSA-N 339.263 1.300 5 1 EDBF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 28331419 NTOMBDCLKXBOSU-FZMZJTMJSA-N 349.391 1.949 5 1 EDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2NC(C)=O 26580070 NLQRBWPRHPEQLL-KGLIPLIRSA-N 337.332 1.262 5 1 EDBF NC(=O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269106 GGPGZNIRRXSAME-UHFFFAOYSA-N 349.310 1.818 5 1 EDBF Bc1c2nc(c(B)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2 263614767 UIWMXNJQQSZDII-UHFFFAOYSA-N 334.000 1.172 5 1 EDBF in-vitro O=C(CCn1ccc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O 587652237 AIFMFJLBHUVTHY-UHFFFAOYSA-N 347.718 1.885 5 1 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@]1(O)C=CO[C@@H]1O3 13374584 HNNJFXGWJORXCI-IAGOWNOFSA-N 326.260 1.807 5 1 EDBF biogenic CS(=O)(=O)c1ccc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)cc1 73387979 IDJUCUPFHWACCN-UHFFFAOYSA-N 345.340 1.641 5 1 EDBF N=C(N)SCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 72178107 OOBGVUOHGJKFSU-UHFFFAOYSA-N 344.352 1.971 5 1 EDBF NC(=O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 43075275 USLOIFPDNUDIEG-UHFFFAOYSA-N 346.324 1.280 5 1 EDBF in-vivo CN(C)S(=O)(=O)c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)o1 586931302 QDOXNYAVPZTULV-UHFFFAOYSA-N 337.317 1.376 5 1 EDBF O=C(N[C@@H]1C(=O)NN[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 1622776 ALWSDUMBUGJGDX-KBPBESRZSA-N 326.312 1.069 5 1 EDBF COC(=O)c1ccnc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587273628 JIKKAUHBFRVIPC-QMMMGPOBSA-N 330.304 1.653 5 1 EDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587273118 DWELFIWGRYUPSK-QMMMGPOBSA-N 342.315 1.802 5 1 EDBF COC(=O)c1c(O)ccc2oc3cc(C(=O)O)cc(O)c3c(=O)c12 2356713804 SEEWMSOVGSUOJV-UHFFFAOYSA-N 330.248 1.842 5 1 EDBF O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc([N+](=O)[O-])cc1 587554541 KMVXBTMXLQJIHP-UHFFFAOYSA-N 341.283 1.525 5 1 EDBF COc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(OC)c1 4248349 FSVVZPSWAPDTSX-UHFFFAOYSA-N 334.284 1.828 5 3 EDBF C/C(=C/c1cccc([N+](=O)[O-])c1)[C@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O 27632416 JQTQQGYAYKWJJZ-FPOQHDASSA-N 334.328 1.762 5 1 EDBF O=C(O)COCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587563114 MCWWPEODFLRPAQ-UHFFFAOYSA-N 330.094 1.835 5 1 EDBF COc1cc(COC(=O)N2CC[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC 1634806 MHBUVDBUGKJCOK-VIFPVBQESA-N 340.288 1.408 5 1 EDBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O 27643001 JQTQQGYAYKWJJZ-MVDWDEDDSA-N 334.328 1.762 5 1 EDBF COC(=O)c1c(O)ccc2oc3cc(CCO)cc(OC)c3c(=O)c12 2356723507 LKBDKTSPRLVKDS-UHFFFAOYSA-N 344.319 1.982 5 1 EDBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(O)nc(O)nc3[nH]2)c1 587269860 RWGIUNTXIAUIGY-UHFFFAOYSA-N 342.315 1.940 5 1 EDBF COC(=O)C1(C(=O)OC)C/C=C/Cc2ccccc2[C@@H]1C[N+](=O)[O-] 37867816 RWGALSFVLDHGOG-GJBLVYBDSA-N 333.340 1.882 5 1 EDBF CC(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1N2C 40866446 TUZGSZRCHIXFHP-FXUDXRNXSA-N 348.355 1.918 5 1 EDBF COCCNc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-] 587265931 SQZGQXNDQYQSQF-UHFFFAOYSA-N 346.303 1.398 5 1 EDBF CCOc1cc2oc(C(=O)O)cc(=O)c2c2oc(C(=O)O)cc(=O)c12 169344928 DQNFITSBXSPIEQ-UHFFFAOYSA-N 346.247 1.695 5 1 EDBF CC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 100660065 NVOYVOBDTVTBDX-PMEUIYRNSA-N 332.420 1.453 5 1 EDBF CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1 253674393 SJOLWQZOAAVHCY-RWQQGDIJSA-N 333.384 1.215 5 1 EDBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2n1 587266185 ZBMMJKWMVLBWHG-UTLUCORTSA-N 346.343 1.405 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263718 NYHJZIJKPFBXFM-FKTZTGRPSA-N 333.304 1.527 5 1 EDBF Cn1nccc1CS(=O)(=O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 586923863 YWJPLLNHLVPIPV-UHFFFAOYSA-N 335.345 1.320 5 1 EDBF CC[C@](O)(C(=O)O[C@H]1CC[N@@+]2([O-])CC=C(CO)[C@H]12)c1ccccc1 299810126 IOJAGKJQHGKBCB-ISARSNTHSA-N 333.384 1.215 5 1 EDBF CSc1ccc(N2C[C@@H](CNC(C)=O)OC2=O)cc1[N+](=O)[O-] 40466941 LFVZIKUQNPHJQD-SNVBAGLBSA-N 325.346 1.778 5 1 EDBF O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@@H]1OCCO 33828967 ZSPZCKWUOXRTDY-QGZVFWFLSA-N 341.323 1.719 5 1 EDBF CNS(=O)(=O)N1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 586955545 KJIKQEBERXYALW-UHFFFAOYSA-N 339.377 1.115 5 1 EDBF O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967158 KMNZKQMPKMHVAZ-OTYXRUKQSA-N 327.296 1.650 5 1 EDBF CN1CCN(c2nc3n(C)c4ccc(Cl)cc4cc-3c(=O)n2)CC1 28651854 XXPIOTUDVOHUSL-UHFFFAOYSA-N 343.818 1.839 5 1 EDBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587225822 VCMVKTRPVGAMPH-JTQLQIEISA-N 341.327 1.950 5 1 EDBF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccccc1[N+](=O)[O-] 29405974 RGYZCSFOYDGBPO-SSDOTTSWSA-N 349.221 1.055 5 1 EDBF N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Cc1ccccc1 40847913 LUAXIZMRCSGLOX-CYBMUJFWSA-N 344.327 1.803 5 1 EDBF C[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277445 WDNHTTNQTPLACP-QMMMGPOBSA-N 335.345 1.680 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264847 UMLVENRDQZTFAK-FBIMIBRVSA-N 330.344 1.322 5 1 EDBF O=C(Nc1ncc([N+](=O)[O-])s1)N[C@H](Cc1ccccc1)C(=O)O 1857577344 ZYCDGACMWZXZFP-SECBINFHSA-N 336.329 1.869 5 1 EDBF CC[C@@](O)(C(=O)O[C@H]1CC[N@+]2([O-])CC=C(CO)[C@H]12)c1ccccc1 254092467 IOJAGKJQHGKBCB-OGWHTMIXSA-N 333.384 1.215 5 1 EDBF O=c1c2ccccc2oc2cc(OC[C@@H](O)COCCO)cc(O)c12 71295258 SQVKPNBZCABEJM-NSHDSACASA-N 346.335 1.400 5 1 EDBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586960280 ARCGGKAXHXPZLM-YFKPBYRVSA-N 333.333 1.797 5 1 EDBF Cn1c([N+](=O)[O-])cnc1[S@@](=O)CCOc1ccc(C(=O)O)cc1 169346993 CJVTWIUXAXNMRR-QHCPKHFHSA-N 339.329 1.213 5 1 EDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(CCO)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261919 FBMUCHSDJPOPTJ-RAIGVLPGSA-N 331.372 1.758 5 1 EDBF C[C@@H]1c2cc3c(O)nc(O)nc3nc2[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587553082 FJTUFGDUJBAEAE-SHRPOTNHSA-N 334.288 1.004 5 1 EDBF O=c1c2cc(Cl)c([N+](=O)[O-])cc2nnn1[C@H]1CN2CCC1CC2 26743278 XULVFQFXXXVUPZ-ZDUSSCGKSA-N 335.751 1.620 5 1 EDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(S)nc(S)nc2[nH]1 587266809 AWVTWNRPVVJNHM-RXMQYKEDSA-N 337.390 1.953 5 1 EDBF CC[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100219020 NVOYVOBDTVTBDX-BDCJFUMPSA-N 332.420 1.453 5 1 EDBF C[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276398 LBRAJZDSGWMFPY-SECBINFHSA-N 328.332 1.979 5 1 EDBF C[C@H](O)CNC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228924 HFHZOSGFAKTHOK-NSHDSACASA-N 327.336 1.822 5 1 EDBF Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)n1 999633 SZRPJZZINCPDGP-UHFFFAOYSA-N 344.306 1.965 5 3 EDBF O=C1[C@@H]2[C@H](O)CCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967175 UCFITUSUJMLGAM-KGLIPLIRSA-N 327.296 1.650 5 1 EDBF O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1ccc(O)cc1 27712906 FLRZTKWQGMLGJS-UHFFFAOYSA-N 325.280 1.780 5 1 EDBF NC(=O)N1CCc2sccc2[C@]1(C(=O)O)c1ccc([N+](=O)[O-])cc1 962708040 JPTBULZXYKZVOM-HNNXBMFYSA-N 347.352 1.921 5 1 EDBF CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cc3ncccc3nc12 27703896 FKAXBSJIUVGLCM-UHFFFAOYSA-N 339.355 1.983 5 1 EDBF COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cc([N+](=O)[O-])ccc12 587648015 YIRHVGSZPQUIGI-UHFFFAOYSA-N 328.284 1.832 5 1 EDBF COc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 586920505 MARVZKCWVOSRIU-UHFFFAOYSA-N 348.340 1.849 5 1 EDBF COC(=O)c1ccc(O)c2oc3cc(CCO)cc(OC)c3c(=O)c12 205967503 HPYOCWDHQYRQLJ-UHFFFAOYSA-N 344.319 1.982 5 1 EDBF O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1CCN1CCOCC1 653869253 NENRAKBQVWMULT-OAHLLOKOSA-N 337.401 1.501 5 1 EDBF CN1C(=O)C[C@H]2CN[C@@H](c3cc([N+](=O)[O-])nn3C)c3cccc1c32 963036578 UFJHWCQSTHLFCE-XXFAHNHDSA-N 327.344 1.471 5 1 EDBF CCOC(=O)C1=C(C)NC(N(C)C)=N[C@H]1c1cccc([N+](=O)[O-])c1 299854960 BSVSYRPGGGZQDF-AWEZNQCLSA-N 332.360 1.994 5 1 EDBF COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cc([N+](=O)[O-])ccc12 587647990 XIPVMOVERKOACZ-UHFFFAOYSA-N 328.284 1.832 5 1 EDBF Cc1cc(N(C)Cc2nc3c[nH]c(=N)[nH]c-3n2)c([N+](=O)[O-])cc1F 587137145 PWTFOOZXMDAYIL-UHFFFAOYSA-N 331.311 1.709 5 1 EDBF CNS(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28262174 CCBCJJOEEYWOFS-UHFFFAOYSA-N 333.321 1.553 5 1 EDBF CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc([N+](=O)[O-])cc1 71333252 CJUQERNPJYQMPE-CZUORRHYSA-N 333.296 1.699 5 1 EDBF O=C(NCCN1CCOCC1)c1cccc2nc3ccccc3nc12 27895030 DZYXFEQEDRPCQY-UHFFFAOYSA-N 336.395 1.845 5 1 EDBF O=C(NCCn1cnc([N+](=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 84711373 STHQNQJHENIYGH-UHFFFAOYSA-N 345.237 1.515 5 1 EDBF C[C@@]1(COc2cnc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 653725557 JOHSHTQLTRXLHJ-NSHDSACASA-N 345.237 1.830 5 1 EDBF CCS(=O)(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587268428 XKVXRMJCAVZEJB-UHFFFAOYSA-N 347.356 1.909 5 1 EDBF Nc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1N 587269161 HPZCIEVHNYQBLJ-UHFFFAOYSA-N 336.315 1.883 5 1 EDBF O=C(O)c1cc(=O)c2c(o1)c1c(c3c(=O)cc(C(=O)O)oc32)OCC1 169344947 YTZPGFHYSVFOEI-UHFFFAOYSA-N 344.231 1.231 5 1 EDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(CO)cc2[nH]1 587263526 BOJSITMLOFYMKV-NSHDSACASA-N 328.328 1.912 5 1 EDBF O=C1NNC=C([N+](=O)[O-])[C@]12NCCc1c(Cl)cc(Cl)cc12 963120573 KJSPJFCZLJWYMS-LBPRGKRZSA-N 329.143 1.087 5 1 EDBF C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C[C@H](N)[C@H](C(=O)N2CCCC2)C1 28955067 FVEPPGNZFFPAJK-MAZHCROVSA-N 332.404 1.537 5 1 EDBF C/C=C\OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O 535382723 PPKYUXFRASVFLB-FWPCIQOSSA-O 340.333 1.308 5 1 EDBF in-vitro NC1=N[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(F)cc2)C(N)=N1 12508858 YYTCBWUMUWEKGD-ZDUSSCGKSA-N 328.307 1.882 5 3 EDBF CC(C)[C@@H]1OC[C@@H]2[C@H](CO1)[N@]2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857568388 KFJZWVNXYVVSOG-BIQWYFBQSA-N 342.373 1.365 5 1 EDBF COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccn1 2625546 VUBLJXLWLOFRDT-UHFFFAOYSA-N 331.284 1.794 5 3 EDBF CC(C)[C@H]1COCCS(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 36383052 YERRSPUVSUPBTM-CQSZACIVSA-N 328.390 1.781 5 1 EDBF O=[N+]([O-])c1ccc(ON[N+](=O)N2CCN(c3ccccc3)CC2)nc1 377797408 LAROBWBDCNYCEQ-UHFFFAOYSA-N 345.339 1.304 5 1 EDBF CS(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 586950267 DSWOSZADYUVIJR-UHFFFAOYSA-N 333.329 1.905 5 1 EDBF O=C(Cn1ccc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O 587652887 MZDGLAMFBLGPMO-UHFFFAOYSA-N 333.691 1.495 5 1 EDBF COC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2n1 587273901 PTULQQNPKKMAFT-UHFFFAOYSA-N 330.304 1.482 5 1 EDBF C[C@H](O)Cc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 82052332 FKZWWCHTJRMNCW-NSHDSACASA-N 349.416 1.696 5 1 EDBF N[C@@H](C(=O)NCCc1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 87672213 YUSOEIFPPYNHBR-CVEARBPZSA-N 329.356 1.314 5 1 EDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(S)nc(S)nc2[nH]1 587273320 GSSRKXFZBLXOHD-RXMQYKEDSA-N 337.390 1.839 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263779 OIGUOIVTJVAZNO-DVVUODLYSA-N 331.328 1.922 5 1 EDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnncc2[nH]1 587119110 XVMYBIIHSPDMRP-UHFFFAOYSA-N 327.226 1.833 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@H]1OC[C@@](C)(O)[C@@H]1O3 14689146 SWALXCKAJQTSAC-GUDVDZBRSA-N 339.347 1.981 5 1 EDBF endogenous,in-man CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1 17127516 SJOLWQZOAAVHCY-VUSSGZRRSA-N 333.384 1.215 5 1 EDBF COc1cncc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587265969 YMSYDKCGHGYAQR-VIFPVBQESA-N 329.316 1.823 5 1 EDBF O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCCc1c[nH]cn1 26270123 XYDJTIGZCSLCAB-UHFFFAOYSA-N 338.389 1.760 5 1 EDBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCCC1 1772651566 NAIYXSAMMZDXCF-JTQLQIEISA-N 330.435 1.575 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587274202 OCJUNPYEBHSTTF-UHFFFAOYSA-N 328.332 1.726 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CO[C@@H]2CCCCO2)nn1 40918495 RMFVCMJSQIZMII-CQSZACIVSA-N 336.352 1.435 5 1 EDBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 587264304 FUJFVYFCLCMIIY-LURJTMIESA-N 344.291 1.707 5 1 EDBF CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586944724 YQWJZJUZFMKLMI-UHFFFAOYSA-N 326.378 1.651 5 1 EDBF COc1cc2c3c(c1)O[C@@](C)(c1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587430722 BKTXGFXXDIHPAL-MGPLVRAMSA-N 329.312 2.000 5 1 EDBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(-n3cnnn3)cc2[nH]1 587269653 XTYZJANHOAGENE-UHFFFAOYSA-N 337.303 1.454 5 1 EDBF NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C(=O)O)c1 40976350 NYFPMUZKGDTVCK-UHFFFAOYSA-N 337.313 1.684 5 1 EDBF Cn1cc([N+](=O)[O-])c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587653401 VHMMJYPVMOORSK-UHFFFAOYSA-N 333.691 1.380 5 1 EDBF NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1 586929684 GXHJLEYTEDVVRN-UHFFFAOYSA-N 341.736 1.767 5 1 EDBF CNC1=C([N+](=O)[O-])[C@H](c2ccc(C(F)(F)F)cc2)N=C2N=CNN21 1911584321 GJFXRIQZIWZCHT-VIFPVBQESA-N 340.265 1.630 5 1 EDBF Nc1nccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920565 MSMVQDKTXUBJNR-UHFFFAOYSA-N 333.329 1.422 5 1 EDBF C[C@H](CO)NC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228917 XRKFNEWQHZIGHM-LLVKDONJSA-N 327.336 1.822 5 1 EDBF COc1ccc2c(c1)n(O)c(-c1ccc([N+](=O)[O-])cc1)c(N)[n+]2=O 149756029 RHRKYBQJFPUKLI-UHFFFAOYSA-N 329.292 1.959 5 1 EDBF COc1cc2oc(=O)c3cc(C)c(O)c4c(=O)c(=O)c(c1O)c2c34 238745049 JCMPMLXSEHQPQB-UHFFFAOYSA-N 326.260 1.424 5 1 EDBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(S)nc2[nH]1 587270516 LIQBYTCVWXIOOY-QMMMGPOBSA-N 332.345 1.498 5 1 EDBF NC1=N[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(F)cc2)C(N)=N1 12508851 YYTCBWUMUWEKGD-CYBMUJFWSA-N 328.307 1.882 5 3 EDBF COC(=O)[C@H]1C[C@@H](C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc21 1618392 SPUHVDUAILHJNC-DTWKUNHWSA-N 331.284 1.455 5 1 EDBF O=C(O)c1cc2n(n1)[C@@H](C(=O)O)Nc1cc(Cl)c([N+](=O)[O-])cc1-2 27321016 YPDBDXKMDHIBJN-JTQLQIEISA-N 338.663 1.819 5 1 EDBF C[C@](O)(CO)[C@@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 14682406 DCMFBSAIEOOTHJ-UGSOOPFHSA-N 344.319 1.404 5 1 EDBF biogenic N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Cl)ncnc2[nH]1 587264254 FIAAAAABOXDTPR-ZETCQYMHSA-N 334.723 1.863 5 1 EDBF COc1cc(-c2nc3c(O)nc(S)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260728 BHCWTPUOZYYUNW-UHFFFAOYSA-N 349.328 1.940 5 1 EDBF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(O)ccc1[N+](=O)[O-] 28827129 HYENFWRHPSGGAB-GFCCVEGCSA-N 337.357 1.656 5 1 EDBF CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1N2C 101512019 TUZGSZRCHIXFHP-FPCVCCKLSA-N 348.355 1.918 5 1 EDBF CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 28134445 GHHQMVADDLLILD-FZMZJTMJSA-N 349.391 1.949 5 1 EDBF NCCCNc1cc(NCc2cccnc2)c(C(N)=O)cc1[N+](=O)[O-] 95920784 RAPSXQPDFJOVLN-UHFFFAOYSA-N 344.375 1.462 5 1 EDBF in-vitro O=[N+]([O-])c1cc2c(cc1-c1ccc3c(O)nc(O)nc3n1)OCO2 587555284 PEQUDHOKSDVDSE-UHFFFAOYSA-N 328.240 1.740 5 1 EDBF O=c1c2ccc(O)cc2oc2cc(OCCO[N+](=O)[O-])cc(O)c12 1857643924 NQZQAIRGYHKDLB-UHFFFAOYSA-N 333.252 1.945 5 1 EDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587273606 JBOYIWFOJAINCW-SECBINFHSA-N 349.372 1.875 5 1 EDBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2n1 587266181 ZBMMJKWMVLBWHG-GUBZILKMSA-N 346.343 1.405 5 1 EDBF O=C(CCc1cccc2c1B(O)OC2)Nc1ccc([N+](=O)[O-])cc1 1857561698 JXYFOEHBPJIBLL-UHFFFAOYSA-N 326.117 1.384 5 1 EDBF COC1=C[C@]23CCC[N@+]2([O-])CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4 255197568 AZWNRVNQMXFTSX-YRXWBPOGSA-N 331.368 1.807 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)[C@H]1C[N+](=O)[O-] 587261307 AQRGPSXGUNOYME-VWYCJHECSA-N 345.355 1.995 5 1 EDBF O=C1[C@@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 14967168 KMNZKQMPKMHVAZ-XPTSAGLGSA-N 327.296 1.650 5 1 EDBF CS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269182 RYPBUUUOVUFCTI-UHFFFAOYSA-N 347.356 1.882 5 1 EDBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cncc([N+](=O)[O-])c2[nH]1 587226121 VIRHRCNTKWEXHA-JTQLQIEISA-N 341.327 1.950 5 1 EDBF Cc1onc2c(=O)n(CC(=O)O)nc(-c3cccc([N+](=O)[O-])c3)c12 13797627 LALPEWHTIGOTBV-UHFFFAOYSA-N 330.256 1.353 5 1 EDBF CCN(CC)CCNC(=O)c1cccn2c(=O)c3ccccc3nc12 169349078 HWAYBPSEDLQTNJ-UHFFFAOYSA-N 338.411 1.919 5 1 EDBF COC(=O)CC[C@H](NSc1ccc([N+](=O)[O-])cc1)C(=O)OC 95594459 LGDPUNFIIWISCQ-NSHDSACASA-N 328.346 1.686 5 1 EDBF COC(=O)c1ccnc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc12 587262271 HBJKPRIMTGFBJI-INTQDDNPSA-N 346.343 1.405 5 1 EDBF NS(=O)(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 103260814 LDZYNAKARVCQBI-UHFFFAOYSA-N 347.308 1.043 5 1 EDBF COc1cc2cc3c(O)nc(C(=O)OCCO)nc3nc2cc1OC 26649239 YNVAHBKBFMUSQP-UHFFFAOYSA-N 345.311 1.050 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263238 KVDUCCWKTZNXNB-DSYKOEDSSA-N 337.361 1.008 5 1 EDBF COCCOc1ccc(-c2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-] 587265193 MLQMUTLJKMDYCS-UHFFFAOYSA-N 330.304 1.536 5 1 EDBF O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccc(O)cc1 14945998 BUVDAZCGAKIEOI-UHFFFAOYSA-N 325.280 1.780 5 1 EDBF O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3ccccc3F)c2[nH]c1=O 27767872 FGYJBTAKOGNBAZ-UHFFFAOYSA-N 330.275 1.876 5 1 EDBF COC(=O)Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653700685 BRWLTPKTRGVBPN-UHFFFAOYSA-N 341.323 1.933 5 1 EDBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3c(c2)B(O)OC3)cc1 1857749069 YXDUCEZSXPKKPH-UHFFFAOYSA-N 329.146 1.621 5 1 EDBF CC1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@H]1O 84758212 YRESWQIXSSHMFU-IAGOWNOFSA-N 344.319 1.923 5 1 EDBF CCOC(=O)c1cc(=O)c(=O)c2oc3cc(N(C)C)ccc3[nH]c1=2 653795841 TYMSSXNDEXOETL-UHFFFAOYSA-N 328.324 1.449 5 1 EDBF O=[N+]([O-])c1ccc(OCc2nc3c(O)nc(S)nc3[nH]2)cc1F 587149345 QZNOEMQEWUTTRP-UHFFFAOYSA-N 337.292 1.974 5 1 EDBF COc1ccc(S(=O)(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586920498 LQXSHDKCLFIQTO-UHFFFAOYSA-N 348.340 1.849 5 1 EDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(O)nc(S)nc2[nH]1 587268303 QBYPCPXTUFMSLM-UHFFFAOYSA-N 335.349 1.624 5 1 EDBF O=C(O)c1ccc2oc3ccc(S(=O)(=O)CCO)cc3c(=O)c2c1 28261442 HZPNXFNQSQVYPH-UHFFFAOYSA-N 348.332 1.410 5 1 EDBF O=c1cnn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(=O)[nH]1 28764214 IZEDXLFPACEQEF-UHFFFAOYSA-N 342.336 1.980 5 1 EDBF COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c31 5732922 OACIUUCGBQKLLG-UHFFFAOYSA-N 337.383 1.816 5 1 EDBF CC(=O)Cc1nsc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 82052531 LLLOGQBXNFGBSH-UHFFFAOYSA-N 347.400 1.904 5 1 EDBF NC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269798 QMGJFZZDOUIOLW-UHFFFAOYSA-N 340.295 1.962 5 1 EDBF C[C@](O)(CO)[C@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 14682410 DCMFBSAIEOOTHJ-ACJLOTCBSA-N 344.319 1.404 5 1 EDBF biogenic Nc1n[nH]c2nc3scc(-c4ccc([N+](=O)[O-])cc4)n3c(=O)c12 49112720 RRMRNYOYWPVDIG-UHFFFAOYSA-N 328.313 1.790 5 1 EDBF N[C@@H](CP(=O)(O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586923611 VIWCWSCYIUFMDZ-QMMMGPOBSA-N 343.283 1.837 5 1 EDBF CC[C@H]1CN=C2C(=O)Nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3N21 13763210 SALVARIKFNDMPS-VIFPVBQESA-N 326.316 1.730 5 1 EDBF CC(C)[C@@H]1OC[C@@H]2[C@H](CO1)[N@@]2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857568389 KFJZWVNXYVVSOG-NMWPEEMBSA-N 342.373 1.365 5 1 EDBF CCOC(=O)[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13863237 MSNBVFOEXXZXLU-MRVPVSSYSA-N 333.300 1.327 5 1 EDBF COC(=O)c1c(O)c2ncsc2n(-c2cccc([N+](=O)[O-])c2)c1=O 35010301 ZRAQCQAZZYWIGJ-UHFFFAOYSA-N 347.308 1.848 5 1 EDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccccc2)nn1 40918626 DZVLGZAGWFOAIQ-UHFFFAOYSA-N 328.332 1.970 5 1 EDBF NS(=O)(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 103260809 WGHAJZIWWFYOCA-UHFFFAOYSA-N 347.308 1.043 5 1 EDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587273026 CQUAUDDAWHPNRM-UHFFFAOYSA-N 326.316 1.909 5 1 EDBF O=c1oc2c3c(cc4c(=O)oc5c6c(cc1c5c24)OCO6)OCO3 2356755799 VLICLHUFTCNMON-UHFFFAOYSA-N 326.216 1.948 5 1 EDBF NS(=O)(=O)c1ccc(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586930740 WSXZMNXRXHCGLE-UHFFFAOYSA-N 347.356 1.299 5 1 EDBF CNC1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(COC2=O)C1 28115691 NUPZYTFVPWERIM-CYBMUJFWSA-N 344.323 1.582 5 1 EDBF Cc1cnc(-c2cccc([N+](=O)[O-])c2)n2nc(N3CCOCC3)nc12 28243271 BDCIBJSAXPOYQV-UHFFFAOYSA-N 340.343 1.845 5 1 EDBF Cc1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1C[C@H](C)O 35075794 NUCHBCPEKVBIQJ-JTQLQIEISA-N 339.373 1.454 5 1 EDBF NCCC[C@](N)(C(=O)OCc1ccc([N+](=O)[O-])cc1F)C(F)F 95554625 LKOUNZZDJZWFNZ-CYBMUJFWSA-N 335.282 1.479 5 1 EDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263968 PRLZHSGPNLOHJR-HRDYMLBCSA-N 333.304 1.527 5 1 EDBF O=[N+]([O-])c1cccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)c1 53230310 VKUXCYVVKVQQMN-UHFFFAOYSA-N 341.331 1.841 5 1 EDBF CC(=O)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 28523404 RSNIAXGUKKGSCQ-UHFFFAOYSA-N 339.402 1.843 5 1 EDBF O=c1c2c(O)cccc2oc2cc3c(c(O)c12)[C@@]1(O)CCO[C@@H]1O3 13374593 WRFZRAPNQYAESY-SJORKVTESA-N 328.276 1.684 5 1 EDBF biogenic Cn1cncc1CN1CCC[C@H](Nc2ccc(CO)c([N+](=O)[O-])c2)C1 1857655167 QIAZRKAJWNXFFS-HNNXBMFYSA-N 345.403 1.897 5 1 EDBF CSc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1[N+](=O)[O-] 40466942 LFVZIKUQNPHJQD-JTQLQIEISA-N 325.346 1.778 5 1 EDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)[C@@H](O)[C@H]([C@@]1(C)CO1)O3 85841735 JRMIBKXNMDYCPR-GUDVDZBRSA-N 339.347 1.981 5 1 EDBF endogenous,in-man CS(=O)(=O)c1ccc([C@@H]2NN=C(c3ccc([N+](=O)[O-])cc3)O2)cc1 1857633140 SRMAASVIMQWVFG-OAHLLOKOSA-N 347.352 1.979 5 1 EDBF COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cccc([N+](=O)[O-])c12 587647445 IQWKXTHPULYAIW-UHFFFAOYSA-N 328.284 1.832 5 1 EDBF COc1cc2c3c(c1)O[C@](C)(CCn1cnc([N+](=O)[O-])n1)[C@@H](C2)C3=O 587431486 PBOMHCWAFGTWJU-MEDUHNTESA-N 344.327 1.791 5 1 EDBF CC(=O)Nc1ccc(CO[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] 5663642 SBSAPGGSRJWVNA-INIZCTEOSA-N 337.376 1.874 5 1 EDBF CC(C)Oc1nc(N)nc(N)c1[C@H](C[N+](=O)[O-])c1ccc(F)cc1 299823925 CEBLGTJVVVQNRJ-LLVKDONJSA-N 335.339 1.976 5 1 EDBF