smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=c1[nH]c2ccc(N3CCN(CC4CC4)CC3)nc2c2ccccc12 3815861 VRXNWWVVSARIFG-UHFFFAOYSA-N 334.423 2.608 5 1 EFBF NC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587244130 XCIMBZLEWGVTEQ-UHFFFAOYSA-N 342.271 2.537 5 1 EFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587273244 GGODJRHCDAWIDL-ZETCQYMHSA-N 340.265 2.885 5 1 EFBF Cc1nccc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 587118061 NEPHUXWSNQZOJI-UHFFFAOYSA-N 340.265 2.747 5 1 EFBF COc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091070 AFHGYNLGVIXLIT-UHFFFAOYSA-N 341.249 2.906 5 1 EFBF CC1=NC(=S)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)C 101739685 TZMYRDILZSQPJW-QWHCGFSZSA-N 335.385 2.553 5 1 EFBF C[C@H](Cc1ccccc1)N(C)Cc1nc([C@H]2CC[C@H]([N+](=O)[O-])O2)no1 254144415 JXNOGAWCEGEVMX-XNRPHZJLSA-N 346.387 2.587 5 1 EFBF Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c12 587274832 NKUVXQCJARQBAD-UHFFFAOYSA-N 336.149 2.943 5 1 EFBF C[C@]1(c2ccc([N+](=O)[O-])c(F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962923604 RINMMIXSGGZLRE-WMLDXEAASA-N 348.305 2.735 5 1 EFBF Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 38784031 DCYZSPHKXACGQZ-UHFFFAOYSA-N 334.382 2.935 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@]1(C)CO1)O2 14682376 BBNDPXOGORGETN-KUHUBIRLSA-N 340.331 2.753 5 1 EFBF biogenic O=[N+]([O-])c1cc(F)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 587160554 VYQSIYQMRYDGOY-UHFFFAOYSA-N 338.096 2.781 5 1 EFBF O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] 40410443 NWFOGEPIYXJXFZ-GBIKHYSHSA-N 330.768 2.861 5 1 EFBF O=[N+]([O-])c1cccc(/C=C2\CCc3cc4c(O)nc(O)nc4nc32)c1 587554190 KECWUUDIZNRPDP-UXBLZVDNSA-N 336.307 2.831 5 1 EFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCCCO3 587274884 VUMLXJDCDSASJO-SNVBAGLBSA-N 343.343 2.633 5 1 EFBF O=C(O)CCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21 28957079 HYLNEAKHEBQCRF-UHFFFAOYSA-N 327.296 2.515 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4cccc(O)c4c(c23)C1=O 27554893 XOFRRQGWAOSTKC-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF COc1cccc2c(=O)c3c(OC)cc(OC[C@H]4CO4)cc3oc12 64479814 SICXHZMXDIKWAF-NSHDSACASA-N 328.320 2.741 5 1 EFBF CN(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1 40413783 VKQSLUCATGFGKD-UHFFFAOYSA-N 328.372 2.937 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587274677 RVMBNYWFQKXUGG-UHFFFAOYSA-N 327.131 2.726 5 1 EFBF Cc1oc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1[N+](=O)[O-] 587268543 CTMLVBNLMKEEGK-UHFFFAOYSA-N 341.371 2.791 5 1 EFBF COc1cc2c(=O)oc3cc4c(cc3c2c(OC)c1OC)OCO4 40835306 MGLFOCADIAKRMS-UHFFFAOYSA-N 330.292 2.701 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(O)cc1O)[C@@H](C2)C3=O 587432685 KPVCBVZAOWUISJ-DYZYQPBXSA-N 343.291 2.503 5 1 EFBF COc1c2c3c(c4c1OCO4)-c1ccccc1[C@H](O)[C@H]3[N+](C)(C)CC2 35259380 IUUANAXXYBIVEJ-IRXDYDNUSA-N 340.399 2.812 5 1 EFBF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C[N+](=O)[O-])[C@@H](C2)C3=O 587432366 JQYPNBAHJBXKBI-KXBFYZLASA-N 339.347 2.701 5 1 EFBF Cc1cc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2cc1[N+](=O)[O-] 587095239 ZLFAGKCXFXEXAF-SSDOTTSWSA-N 330.266 2.909 5 1 EFBF CC(=O)Oc1cc(Cl)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1 95562469 JKZNSPWRNDDNPJ-UHFFFAOYSA-N 341.732 2.882 5 1 EFBF C[N+]12CCC[C@@]34CC[C@]5(Nc6ccccc6[C@@]5(CC1)[C@@H]32)[C@@H](C(=O)O)C4 238762643 WHGVBUUDZLTMQW-KSDLINPOSA-O 339.459 2.986 5 1 EFBF Cc1cc2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2cc1[N+](=O)[O-] 587269533 DHRSPRDSOOAIQJ-LBPRGKRZSA-N 341.327 2.930 5 1 EFBF COc1cc(N)c(Cl)cc1C(=O)OCC[N+]12CCC(CC1)CC2 13761081 CQOUHYDQTTXXBZ-UHFFFAOYSA-O 339.843 2.718 5 1 EFBF COc1ccc(C=O)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587786062 GQCPOMGQRVYYNM-UHFFFAOYSA-N 342.267 2.867 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3ccc(Cl)nc3[nH]2)nn1CC(F)(F)F 587091092 AOQJSIQZOAVINN-UHFFFAOYSA-N 346.656 2.945 5 1 EFBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCC1CCCCC1 13682011 CPRRIDZYLIGEHZ-UHFFFAOYSA-N 328.390 2.925 5 1 EFBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC1CCCC1 169719554 DUTOIEMVMPQCQJ-GJZGRUSLSA-N 345.355 2.922 5 1 EFBF Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc12 587262748 HUQAHEMKWXHUKU-JEZHCXPESA-N 336.779 2.580 5 1 EFBF CN(C)CCN1C(=O)c2cccc3c(O)c4ccccc4c(c23)C1=O 29344600 KFTPERXYPGZOJD-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF Cc1ccc(Nc2c([N+](=O)[O-])n[n+](-c3ccccc3)n2O)c(C)c1 61958031 KFHZLBCDZTVTFL-UHFFFAOYSA-O 326.336 2.666 5 1 EFBF O=[N+]([O-])c1ccn(CCCc2nc3cc(F)c(F)c(F)c3[nH]2)n1 587272934 DZFUNMOGGWAVDR-UHFFFAOYSA-N 325.250 2.718 5 1 EFBF COc1c(O)ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] 587389675 MXBIFOSJUWZUAU-AWEZNQCLSA-N 344.323 2.906 5 1 EFBF O=[N+]([O-])c1ccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 28239699 RESIHVZCDHJATD-NVXWUHKLSA-N 349.387 2.986 5 1 EFBF Cc1c(-c2nc3cncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979725 JGBCNCVLRUIGKQ-UHFFFAOYSA-N 334.133 2.999 5 1 EFBF C[N+]12CCCC[C@@H]1[C@@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 13111060 CZOWFUDDKUCISC-KFKFVUQKSA-N 332.420 2.981 5 1 EFBF O=[N+]([O-])c1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)o1 72177602 PXWKQBDGFSYFAY-UHFFFAOYSA-N 327.325 2.804 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434119 RLKYEBDCGSIWOU-GTNSWQLSSA-N 327.292 2.798 5 1 EFBF Cc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1F 587266395 VNOZOCWRKMILBX-NSHDSACASA-N 330.319 2.867 5 1 EFBF Cn1cc(-c2ncc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cn1 587021613 MOSWEOLHQYJIEV-UHFFFAOYSA-N 326.341 2.995 5 1 EFBF CNCC[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)c1ccccc1 13799659 JGGCAEGOUNTQKJ-LBPRGKRZSA-N 327.344 2.894 5 1 EFBF Cc1ccc([C@@H](O)Cn2cc([N+](=O)[O-])nc2Br)c(C)c1 66077271 IVADLUURALCCOZ-NSHDSACASA-N 340.177 2.904 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 587268331 RQRCBHBHCLGIKF-OAHLLOKOSA-N 343.347 2.563 5 1 EFBF O=c1nc2n(-c3cccc(O)c3)c3cc(Cl)ccc3cc-2c(=O)[nH]1 96282707 JAGVCTQKQHOVNR-UHFFFAOYSA-N 339.738 2.538 5 1 EFBF COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(OC)c1OC 14639464 CCYFNSHESGHUKB-UHFFFAOYSA-N 345.351 2.724 5 1 EFBF biogenic COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587784070 DUFHSYOXUKLIMR-VXGBXAGGSA-N 338.323 2.810 5 1 EFBF O=[N+]([O-])c1cncc2nc(-c3ncc(Br)cc3F)[nH]c12 587157098 GAEQQVSBTIRCCQ-UHFFFAOYSA-N 338.096 2.830 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587267479 KVOGIYDQTJJEGN-ZETCQYMHSA-N 334.267 2.633 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587268429 XLFJYIFSWAOZQX-UHFFFAOYSA-N 330.304 2.748 5 1 EFBF O=C(O)c1ccccc1/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 103521616 FXRYTQPPIAODOP-LGMDPLHJSA-N 326.264 2.977 5 1 EFBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@@]1(C)CO1)O2 45484689 ZVSRJTABTIUKJW-OXQOHEQNSA-N 337.375 2.793 5 1 EFBF O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1CN1CCCC1 2420 HKBLOBUXUYPOLU-KRWDZBQOSA-N 331.416 2.614 5 1 EFBF CC(C)(Sc1nc(N)nc2[nH]cnc12)c1ccc([N+](=O)[O-])cc1 13986679 NFHBBEGAISSKDE-UHFFFAOYSA-N 330.373 2.871 5 1 EFBF O=C(NCCc1cccs1)[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 8666505 XOYHFLYMYWLMQT-OAHLLOKOSA-N 345.380 2.508 5 3 EFBF C[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C=C(c2ccccc2F)NO1 587157002 QNHWKFMPCKAOFB-MRXNPFEDSA-N 341.302 2.796 5 1 EFBF CCS(=O)(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587268596 GDUYCRGAPOFRNG-UHFFFAOYSA-N 335.341 2.833 5 1 EFBF Cn1c2ccccc2c(=O)c2c(O)cc(O)c(/C=C\C(C)(C)O)c21 238755366 APGMOMIVXYRQES-HJWRWDBZSA-N 325.364 2.887 5 1 EFBF COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccccc2)c1=O 1772643906 MPHXODIECGAOSB-UHFFFAOYSA-N 338.319 2.745 5 1 EFBF Nc1nc(-c2ccco2)c2ncn(Cc3ccc([N+](=O)[O-])cc3)c2n1 29048130 QAQYSXUIQQIGHU-UHFFFAOYSA-N 336.311 2.625 5 1 EFBF in-vivo C[N+]1(C)[C@H]2CC[C@@H]1[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCC1)C2 31425236 GIQCKBPBJOZAKR-JTJHWIPRSA-N 344.475 2.987 5 1 EFBF COc1cc2c3c(c1)O[C@](C)(c1ncc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587433127 OIZVXRPVCFRDAN-SGTLLEGYSA-N 340.335 2.970 5 1 EFBF Cc1ccc([C@H](O)Cn2cc([N+](=O)[O-])nc2Br)c(C)c1 66077268 IVADLUURALCCOZ-LLVKDONJSA-N 340.177 2.904 5 1 EFBF C[C@H](CO)NC(=O)c1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40892790 HNEZQEKGZXZFAH-SECBINFHSA-N 331.755 2.710 5 1 EFBF C[C@H](NCCC(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 473137851 ZXKXWWSPGXOZEU-UGSOOPFHSA-N 328.368 2.879 5 1 EFBF COc1ccc([N+](=O)[O-])cc1[C@H]1NCCc2c1c(C(C)C)nn2C 962914205 DHNBMYRWGGJSDW-QGZVFWFLSA-N 330.388 2.695 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265664 XJIPDRKRQJRXOM-GRYCIOLGSA-N 344.415 2.916 5 1 EFBF O=[N+]([O-])c1cncc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177157 ALOJNXYQQVUNPH-UHFFFAOYSA-N 328.307 2.667 5 1 EFBF O=[N+]([O-])c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587117605 FHJIRXPQFOGRHK-UHFFFAOYSA-N 325.250 2.929 5 1 EFBF O=[N+]([O-])c1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 98083611 MOBPSRZTNPPVJK-UHFFFAOYSA-N 331.295 2.729 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264800 TVTMQRWYTYCNFG-PRJMDXOYSA-N 341.289 2.641 5 1 EFBF COc1cc(OCc2nc3cc4cn[nH]c4cc3[nH]2)ccc1[N+](=O)[O-] 587262300 QGXYREJGLQQBHH-UHFFFAOYSA-N 339.311 2.935 5 1 EFBF O=[N+]([O-])c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1[N+](=O)[O-] 586918494 NXCSKCBRJGFNKS-AWEZNQCLSA-N 342.267 2.892 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@@H]2CC[C@@H]1C[C@H]1O[C@@H]21 195515497 JDULDANUKPNHRN-ZMIHGDGJSA-N 349.299 2.617 5 1 EFBF Cc1cc(N(C)Cc2nc3c(N)ccnc3[nH]2)c([N+](=O)[O-])cc1F 587136988 NMTOFBPHMNBQHS-UHFFFAOYSA-N 330.323 2.532 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587274732 KRZMUTYJMHEPFE-UHFFFAOYSA-N 345.322 2.968 5 1 EFBF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cncc([N+](=O)[O-])c2[nH]1 587173917 CWKKQCKHXOFYIF-NSHDSACASA-N 340.318 2.729 5 1 EFBF COc1cc(/C=C/c2nnc(-c3cc([N+](=O)[O-])c[nH]3)o2)ccc1O 103281388 HTUALOCKFKJWFQ-HWKANZROSA-N 328.284 2.858 5 1 EFBF O=C(NCc1ccnc2ccccc12)Nc1ncc([N+](=O)[O-])s1 1857608099 QTYDPTGLPLSTRO-UHFFFAOYSA-N 329.341 2.921 5 1 EFBF O=[N+]([O-])c1cnc2n1C[C@@H](COc1ccc(OC(F)(F)F)cc1)O2 653732490 GCDAXSQCBCUETA-JTQLQIEISA-N 345.233 2.530 5 1 EFBF COc1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263546 BXRPKUWZSZOCLG-UHFFFAOYSA-N 328.284 2.979 5 1 EFBF O=[N+]([O-])c1ccc(OCc2nc3cc4c(cc3[nH]2)OCO4)cc1F 587150164 ZXJCZVYXSJVHDN-UHFFFAOYSA-N 331.259 2.918 5 1 EFBF O=C(NCc1ccccc1F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27556450 AEGXVRPETOFTJU-UHFFFAOYSA-N 341.298 2.714 5 1 EFBF C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587211239 NOOMZKPKZMPTES-XDTLVQLUSA-N 326.352 2.902 5 1 EFBF COc1ccc2nc3[nH]c(=N[C@@H](C)c4ccccc4)nc(O)c3nc2c1 1857749778 SLOATFLPHXJTDE-NSHDSACASA-N 347.378 2.882 5 1 EFBF Cc1nc2ccc3c(I)cccc3c2c(=O)[nH]1 13832477 WFLKQHAGPPDJRD-UHFFFAOYSA-N 336.132 2.989 5 1 EFBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H]2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 31425237 GIQCKBPBJOZAKR-JKBKZWBZSA-N 344.475 2.987 5 1 EFBF C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277387 VDQVUTZXBBISAG-VIFPVBQESA-N 341.306 2.602 5 1 EFBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F 587645250 MOSBETCFGQQAFL-UHFFFAOYSA-N 330.218 2.998 5 1 EFBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1C 587262211 GFITZUVOWUAMNG-DLOVCJGASA-N 331.372 2.540 5 1 EFBF COc1cc2c3c(c1O)C1(CCC(O)CC1)CC[C@H]3[N+](C)([O-])CC2 14773864 MPPCUGBCOOLIDL-GJTABCQGSA-N 333.428 2.909 5 1 EFBF COC(=O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159792 YWRBBAABWUOVEA-UHFFFAOYSA-N 345.286 2.976 5 1 EFBF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587784265 GQJIEDIMGDYFBH-CHWSQXEVSA-N 338.323 2.810 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)ncc2[nH]1 587269661 XZINSICHPAMUAJ-UHFFFAOYSA-N 349.148 2.636 5 1 EFBF CNCCOc1ccc2cc3ccc(OCCNC)cc3nc2c1 29411938 UUFBNWXGRUUKLK-UHFFFAOYSA-N 325.412 2.584 5 1 EFBF Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4ccccc4n1c23 101446276 XNZXFTANMDZXJU-UHFFFAOYSA-N 336.395 2.733 5 1 EFBF Cc1nc(NCc2cccc(F)c2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821413 GTJLFQCUBSOYJY-UHFFFAOYSA-N 342.334 2.939 5 1 EFBF C[C@H]1[C@@H]2Cc3ccc(C(N)=O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1 40957044 VAVLSXBKEUZULA-LLJZQGTPSA-N 343.427 2.628 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)cnc2[nH]1 587269177 RSXCQWUNUILZPC-UHFFFAOYSA-N 338.249 2.892 5 1 EFBF COC(=O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280129 KLJWVJXXTPSLDF-UHFFFAOYSA-N 326.264 2.754 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587274565 QAMOEWMNLOTBJX-UHFFFAOYSA-N 327.131 2.726 5 1 EFBF Cc1nc2ccc3ccc(I)cc3c2c(=O)[nH]1 13832480 WTEBMUFFEUNBER-UHFFFAOYSA-N 336.132 2.989 5 1 EFBF Cc1c(-c2nc3ncc[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] 586980407 XMQMOYOJKYRXIJ-UHFFFAOYSA-N 334.133 2.951 5 1 EFBF CCS(=O)(=O)c1cccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 586921857 OHJWMRUKNSAAPV-UHFFFAOYSA-N 345.380 2.856 5 1 EFBF Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 587091286 IGEHLXKSJFDCJT-UHFFFAOYSA-N 326.238 2.600 5 1 EFBF CO/[S@](=N/S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 5833994 FQSXCBXRSPJKBF-OAQYLSRUSA-N 340.382 2.706 5 1 EFBF CCCCCCO[C@@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O 28963121 UGVQDRKDFRLDAC-HNNXBMFYSA-N 347.371 2.658 5 1 EFBF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 45255612 LYXGBTQPFJRATQ-KRWDZBQOSA-N 341.323 2.843 5 1 EFBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1F 587139587 KRHPJLAZKACATL-UHFFFAOYSA-N 341.711 2.715 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Cl)nc2[nH]1 587268747 CWBCQCDNIUAILX-UHFFFAOYSA-N 332.703 2.911 5 1 EFBF N[C@@H](N=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270412 ODRFBNILQQJCPZ-INIZCTEOSA-N 325.328 2.980 5 1 EFBF CCn1ncc([N+](=O)[O-])c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280409 WGLKTKVABNTPDK-UHFFFAOYSA-N 330.256 2.697 5 1 EFBF O=C(NCc1cccs1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13685586 IKHUULSKKYLGIP-UHFFFAOYSA-N 329.337 2.637 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)OCCO3 587267593 ASHBCOAWASUAQG-UHFFFAOYSA-N 343.343 2.611 5 1 EFBF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586963585 OSECLVUGEQFVPW-JTQLQIEISA-N 346.372 2.914 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 587269479 OLKPLHZFPKZDAH-UHFFFAOYSA-N 342.267 2.771 5 1 EFBF Cc1cc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2cc1[N+](=O)[O-] 586961827 MFIKLTNSTCNXCO-SSDOTTSWSA-N 346.372 2.711 5 1 EFBF O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc2cc(O)cc(O)c12 40828947 DQGPISIJWYQAJW-UHFFFAOYSA-N 344.235 2.688 5 1 EFBF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc([N+](=O)[O-])c3[nH]1)C2 587245976 BQIXRKCJPLVOLJ-SFHVURJKSA-N 338.367 2.823 5 1 EFBF Cc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br 587273481 BKHLJRXXBQHQKI-UHFFFAOYSA-N 336.149 2.943 5 1 EFBF CCOc1cc2c(ccc3nc(N)[nH]c(=O)c32)cc1Br 13832486 IXYRLSCJXHWSTB-UHFFFAOYSA-N 334.173 2.820 5 1 EFBF CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCO3 3593487 AWAWTEICFANAMR-UHFFFAOYSA-N 339.395 2.620 5 1 EFBF C[N+]1(C)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802130 MJAZCYVGXMBABM-IBGZPJMESA-O 336.459 2.804 5 1 EFBF O=C(O)CCC[C@@H]1[C@H]2CCC[N@+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23 253733823 HNMGWVJBZMTABI-MYNNRCAZSA-N 336.476 2.839 5 1 EFBF CC/C=C\COC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719514 ZRJTUIUUDGMRNL-VQGNRHNMSA-N 345.355 2.946 5 1 EFBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1Cc1cccc([N+](=O)[O-])c1 1857586053 UGCHZPNPBFMFPA-UHFFFAOYSA-N 346.324 2.631 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4cc(O)ccc4c(c23)C1=O 27550248 FGYONXPSZOCZMC-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF N[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(F)cc1F 587150073 JJRCLBBTFPVFTN-ZDUSSCGKSA-N 349.253 2.706 5 1 EFBF O=C(N[C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)OC1)c1ccccc1 28826674 RHUTZXFVSZLDKP-MAUKXSAKSA-N 342.351 2.829 5 1 EFBF O=C(NCCCn1ccnc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 84712211 ZZLLDZOITVGADV-UHFFFAOYSA-N 342.277 2.630 5 1 EFBF COc1cc(-c2nc3cncc(OC)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261104 TYYUJJQQJGJYCY-UHFFFAOYSA-N 330.300 2.559 5 1 EFBF C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)c1ccccc1 28826484 WHRTYKQAKGAXTP-BJOOFOGMSA-N 342.351 2.827 5 1 EFBF O=C(O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263699 CLGGXCJNLRPUCL-UHFFFAOYSA-N 342.267 2.668 5 1 EFBF O=C(O)CSc1ncccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 586968048 JTTYPPODEQWPHD-UHFFFAOYSA-N 330.325 2.710 5 1 EFBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O 587390056 PCTHOIWBCUWSLT-AWEZNQCLSA-N 344.323 2.906 5 1 EFBF COc1cc2c(cc1O)C[C@@H]1c3cc4c(cc3C[C@H]2[N+]1(C)[O-])OCO4 15204437 WKFUCDKSFITCAL-YNCRUDOASA-N 341.363 2.969 5 1 EFBF biogenic,in-vitro CSc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261946 FEVCORRCCIYWAU-USWWRNFRSA-N 333.413 2.945 5 1 EFBF Cc1c(Br)cnc2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc12 587268205 OMTJHSIJWGKBBV-UHFFFAOYSA-N 349.148 2.581 5 1 EFBF O=c1cc(C(F)(F)F)nc2sc(-c3cccc([N+](=O)[O-])c3)nn12 1857765819 CCKVZPQKIZJNPJ-UHFFFAOYSA-N 342.258 2.745 5 1 EFBF Cc1cncc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091309 DFPOMOCXVWWJEE-UHFFFAOYSA-N 326.238 2.600 5 1 EFBF CS(=O)(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(O)c2c1 587650414 KZTPHMBHVPNUHI-UHFFFAOYSA-N 332.337 2.852 5 1 EFBF Cc1ccc(S(=O)(=O)[C@H]2N=CO[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1911582365 BAABZKBPZCRLMR-HZPDHXFCSA-N 346.364 2.803 5 1 EFBF O=C(N[C@@H]1CCCC[C@H]1O)c1ccc2oc3ccccc3c(=O)c2c1 40401744 YPJHCWFODUYCEN-HZPDHXFCSA-N 337.375 2.980 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(C[N+](=O)[O-])O2 587391701 XFVKKFYEFGQOCZ-SFHVURJKSA-N 326.352 2.801 5 1 EFBF C[N+]1([O-])[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 15204440 VCOKKGOVVPZMFF-GJZGRUSLSA-N 339.347 2.983 5 1 EFBF Cc1ccc(CNC(=O)[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 8666495 UCTSNLDNOQKIHD-QGZVFWFLSA-N 339.351 2.713 5 3 EFBF O=C1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 95580127 HQEGJODFJQIFTL-UHFFFAOYSA-N 341.370 2.545 5 1 EFBF C[N+]1(C)[C@H]2CC[C@H]1[C@@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 114014829 GIQCKBPBJOZAKR-VNYTWHDVSA-N 344.475 2.987 5 1 EFBF CN(C)C(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587269326 BAKREUNYQNLYRV-UHFFFAOYSA-N 338.367 2.958 5 1 EFBF CCOC(=O)[C@H](C)c1nc2c(Cl)c3ncccc3cc2[nH]c1=O 1651776 KQOCSYSJMNTJCU-MRVPVSSYSA-N 331.759 2.791 5 1 EFBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587093880 HVUHEQOXKOPMED-RXMQYKEDSA-N 334.229 2.740 5 1 EFBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])nn1C)CC2=O 587471160 ODTGVLFFUAJPLY-QGZVFWFLSA-N 345.355 2.867 5 1 EFBF CC/C=C\COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 36185154 MTHRWTWLVGUAJO-FOSCPCJNSA-N 345.355 2.732 5 1 EFBF Cc1cc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-] 587267225 HFOANZMEYOTHDG-SECBINFHSA-N 330.304 2.802 5 1 EFBF O=[N+]([O-])c1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c([N+](=O)[O-])c1 206700660 WRDDBFAOANJCHB-UHFFFAOYSA-N 343.255 2.878 5 1 EFBF O=C(NCc1ccsc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13685620 YWAUCPVMIAUEIL-UHFFFAOYSA-N 329.337 2.637 5 1 EFBF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)C2 101968028 DPLLIALERNRQER-AWEZNQCLSA-N 341.319 2.850 5 1 EFBF O=[N+]([O-])c1ccccc1SCc1ccc2c(O)nc(O)nc2n1 587564130 ZPTWXDXLIPNMES-UHFFFAOYSA-N 330.325 2.637 5 1 EFBF O=[N+]([O-])c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)cc1F 587150067 YVOXPDKAJZAXPX-UHFFFAOYSA-N 345.286 2.960 5 1 EFBF C[C@]1(c2ccc(C(=O)O)cc2)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 1857550104 MYYXTEXOBKXBGS-HNNXBMFYSA-O 330.276 2.786 5 1 EFBF Cc1nc(N[C@H]2CC=CC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821465 LZMXEGIDZRPZTR-GWCFXTLKSA-N 328.376 2.954 5 1 EFBF CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCCCC2=O)[C@@H]1O 27517823 BYKLXYBJWIUHHJ-OCCSQVGLSA-N 340.401 2.632 5 1 EFBF Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c2oc3ccc([N+](=O)[O-])cc3c(=O)c12 44431180 ZSPUYGCUVVSGFI-UHFFFAOYSA-N 345.223 2.979 5 1 EFBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O 82082161 KCPKKIWSKZDJIE-GFCCVEGCSA-N 349.368 2.557 5 1 EFBF O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1CCN1CCCCC1 96928637 VHMIPAOLLNCIHD-MRXNPFEDSA-N 335.429 2.655 5 1 EFBF COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2N(Cc2ccccn2)C1 1772576067 JUHNLFZOHPGODF-UHFFFAOYSA-N 325.324 2.566 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3cccc(Cl)c3nc12 27983320 VMELYRYRLGYPHH-UHFFFAOYSA-N 328.803 2.728 5 1 EFBF C[N+]1(C)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802131 MJAZCYVGXMBABM-LJQANCHMSA-O 336.459 2.804 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC[C@H](C)C1 84727153 YDUWXICTHQCFHQ-JTQLQIEISA-N 328.463 2.850 5 1 EFBF CSCC[C@H](N)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857537132 UEWLSSUZWZHGBU-AWEZNQCLSA-N 343.404 2.932 5 1 EFBF C[C@@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1NC(=O)c1ccccc1 28826486 KPGUAVQPUWUYTO-BJOOFOGMSA-N 342.351 2.827 5 1 EFBF CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCOCC2)cn1 587647399 GUGXLXPTOXLCLC-UHFFFAOYSA-N 341.371 2.796 5 1 EFBF CC1=NC(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)C 101739680 TZMYRDILZSQPJW-OLZOCXBDSA-N 335.385 2.553 5 1 EFBF N=c1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c[nH]1 587253304 GMOKBFKGYMPGDP-UHFFFAOYSA-N 348.160 2.632 5 1 EFBF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cncc([N+](=O)[O-])c2[nH]1 587173916 CWKKQCKHXOFYIF-LLVKDONJSA-N 340.318 2.729 5 1 EFBF CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](NC(=O)c2ccccc2)[C@@H]1O 28770734 QEKCFZWVIXKDCD-OCCSQVGLSA-N 348.380 2.659 5 1 EFBF O=c1cc(-c2ccccc2)oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])c(O)c12 6582523 XIKHZTGDTFLXMY-UHFFFAOYSA-N 344.235 2.688 5 1 EFBF CCSCCSc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 29044088 FHKXDNAUJGGFJW-UHFFFAOYSA-N 331.448 2.692 5 1 EFBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1Cc1ccccc1[N+](=O)[O-] 1857540146 ZQVGXNVVOSEANG-UHFFFAOYSA-N 346.324 2.631 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCCC[C@@H]1C 84723122 VWBIXFXBRDEEPQ-JTQLQIEISA-N 328.463 2.992 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N)ccc1[N+](=O)[O-])O2 587389558 LRVYESDUSCDNEM-KRWDZBQOSA-N 327.340 2.948 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@H]1C[N+](=O)[O-] 587264441 RPSSFXOZJRDSAQ-WXHSDQCUSA-N 338.367 2.772 5 1 EFBF COCCNc1ccc(-c2nc3ccc(OC)nc3[nH]2)cc1[N+](=O)[O-] 587264106 AKQXQNSSZXEDLG-UHFFFAOYSA-N 343.343 2.600 5 1 EFBF COc1cc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1[N+](=O)[O-] 587261736 HIFFWGXGDCMWHC-UHFFFAOYSA-N 344.283 2.967 5 1 EFBF CN1[C@H]2c3ccccc3[C@@H]3[C@H]1[C@H]1c4ccccc4[C@@H]3N(C)[C@@H]1[C@@H]2[N+](=O)[O-] 169689339 UUMRZCBXYLHSJR-GCOKGBOCSA-N 347.418 2.937 5 1 EFBF CCOC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269698 YYYVEDWTFRAMHF-UHFFFAOYSA-N 341.327 2.655 5 1 EFBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc2c(c1)C(=O)OC2 1857599228 IJXFGVHHWBRVQT-FPYGCLRLSA-N 325.276 2.884 5 1 EFBF C/C=C1\C[N+]2(C)CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 238758955 OPCLJEJEFPIFJR-IXNANZLWSA-O 337.443 2.976 5 1 EFBF O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1CCN1CCCCC1 96928638 VHMIPAOLLNCIHD-INIZCTEOSA-N 335.429 2.655 5 1 EFBF O=c1cc(NC[C@@H](O)c2cccc(O)c2)nc2c3ccccc3ccn12 13608232 DEPUQEGPZIBZJG-QGZVFWFLSA-N 347.374 2.699 5 1 EFBF COc1cccc2oc3c4c(cc(O)c3c(=O)c12)O[C@@H]1OCC[C@@H]41 2356720374 YQCVJKJLGICQCU-ASCAZGACSA-N 326.304 2.883 5 1 EFBF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1 587268348 SKXRNNAYGRREFK-UHFFFAOYSA-N 347.718 2.555 5 1 EFBF O=C(O)CCc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 103299070 IARMEABFYWUHOB-UHFFFAOYSA-N 342.351 2.585 5 1 EFBF CC(C)n1c2nc(-c3ccccc3)nc(=O)c-2[n+]([O-])c2ccccc21 101080242 ZULIZNTYARXIGU-UHFFFAOYSA-N 332.363 2.778 5 1 EFBF COc1ccc([N+](=O)[O-])cc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962914203 DHNBMYRWGGJSDW-KRWDZBQOSA-N 330.388 2.695 5 1 EFBF O=c1oc2ccc(OCCOc3ccccc3)cc2c(O)c1[N+](=O)[O-] 141058369 XEPRCBIPMOMGPN-UHFFFAOYSA-N 343.291 2.865 5 1 EFBF COc1nccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12 587262076 MLMIFEKOZHWZSU-UHFFFAOYSA-N 328.328 2.805 5 1 EFBF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 104000560 ZFMYGSLBBBHJEJ-NXXVSJRMSA-N 329.316 2.688 5 1 EFBF COC(=O)c1c(Cl)ccc2oc3cc(CO)cc(O)c3c(=O)c12 2356721635 KNEDCVBGQJYOCD-UHFFFAOYSA-N 334.711 2.584 5 1 EFBF C[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 587277258 RNMBCHMXZVSYNJ-RXMQYKEDSA-N 327.131 2.979 5 1 EFBF Cc1cccc(NC(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C 587238952 JOYGSGGEWDLBBZ-UHFFFAOYSA-N 325.328 2.664 5 1 EFBF C[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)n1cc([N+](=O)[O-])cn1 587277543 XZZSFDKSXWCCST-ZCFIWIBFSA-N 326.238 2.691 5 1 EFBF CCC(=O)[C@H](C(C)=O)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 299864143 MBCRQMDANRRTHB-LBPRGKRZSA-N 331.246 2.981 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(O)cc1O)[C@@H](C2)C3=O 587432684 KPVCBVZAOWUISJ-BTDLBPIBSA-N 343.291 2.503 5 1 EFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)c(F)c(F)c2[nH]1 587275005 ZGAXQKILKDRWCA-LURJTMIESA-N 325.250 2.889 5 1 EFBF CCOC(=O)CCn1c(=O)c2cc3c(cc2c2ccccc21)OCO3 95559892 NITMZBGVDDZNHZ-UHFFFAOYSA-N 339.347 2.837 5 1 EFBF CCOC(=O)c1c(C)nc(N(C)C)nc1-c1cccc([N+](=O)[O-])c1 29316457 NDGCUQHPMYHQCK-UHFFFAOYSA-N 330.344 2.603 5 1 EFBF C[C@@H]1OC[C@H]2[C@@H]3C=C4C(=Nc5ccccc54)[C@H](C[C@H]2[C@@H]1CO)[N@@+]3(C)[O-] 255260441 QBRLCJAKAJZYTI-OICAUIOYSA-N 340.423 2.515 5 1 EFBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccn1 587648789 LOIYDPOOJJFMQC-UHFFFAOYSA-N 339.307 2.879 5 1 EFBF CCOC(=O)C[C@H](C)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160220 XMJYKJNGHTYRMQ-NSHDSACASA-N 330.344 2.805 5 1 EFBF NS(=O)(=O)c1cc(-c2nc3ccc([N+](=O)[O-])cc3s2)cs1 38208377 XXVUFPZOYZWTGR-UHFFFAOYSA-N 341.395 2.580 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)cnc3[nH]2)nn1CC(F)(F)F 587092180 NMYDECRDWKKKDF-UHFFFAOYSA-N 346.656 2.945 5 1 EFBF COc1cc2c(cc1O)[C@H]1Cc3cc4c(cc3[C@@H](C2)[N+]1(C)[O-])OCO4 15204429 NXKGXYXKEYAJTA-YNCRUDOASA-N 341.363 2.969 5 1 EFBF COc1cc2c(cc1O)C[C@@H]1c3cc(O)c(OC)cc3CC[N+]1(C)C2 1847139 RBBVPNQTBKHOEQ-UJONTBEJSA-O 342.415 2.915 5 1 EFBF O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nnsc2c1 95585076 MZHFHMGPICMHKO-UHFFFAOYSA-N 329.341 2.921 5 1 EFBF C[C@@]1(O)OC[C@H]2[C@@H]3Cc4c([nH]c5ccccc45)[C@@H]4C[C@H]2[C@H]1C[N+]43C 238738578 IUWWDZMOTFHSLA-NADWEKFPSA-N 325.432 2.585 5 1 EFBF Cc1cccc(NC(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C 587239232 MWKODIDDBJZJIK-UHFFFAOYSA-N 325.328 2.664 5 1 EFBF COc1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269081 KGIVESXQMGIYAA-UHFFFAOYSA-N 327.296 2.871 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(=O)O)c2[nH]1 587268138 LQVHZMMSPPKDSV-UHFFFAOYSA-N 329.316 2.538 5 1 EFBF CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1ccccc1[N+](=O)[O-] 29312268 ITJORTXBVCGALI-ZDUSSCGKSA-N 335.385 2.795 5 1 EFBF CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 587388676 GCIDTYUNJCEPFQ-SFHVURJKSA-N 340.335 2.935 5 1 EFBF CC[C@@H]1[C@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 238734525 YNCJDBRZKNLHIH-WOXFOZKBSA-N 340.423 2.924 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@@H]1O[C@H]1C2 254076617 JDULDANUKPNHRN-ZDEGCGEKSA-N 349.299 2.617 5 1 EFBF CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5449607 HFAYMLFRGMKKGA-UHFFFAOYSA-N 346.339 2.926 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4ccc(O)cc4c(c23)C1=O 27556942 CYMFNHWKZNGFDQ-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc1 45245910 QWDRRZSMJHPUCA-QGZVFWFLSA-N 341.323 2.843 5 1 EFBF Cc1cc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1[N+](=O)[O-] 587274454 WEPXJOCIJJQIFV-UHFFFAOYSA-N 330.304 2.517 5 1 EFBF O=c1cc(NC[C@H](O)c2cccc(O)c2)nc2c3ccccc3ccn12 13608229 DEPUQEGPZIBZJG-KRWDZBQOSA-N 347.374 2.699 5 1 EFBF C[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 13828831 XDOYPWCZRAHBDZ-XHDPSFHLSA-N 346.364 2.503 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)ncc4[nH]3)nn2)c1 587269701 MLSOSESQKUCQIN-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF COc1cc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] 587262325 RHCAAAVTMRNDDY-UHFFFAOYSA-N 344.283 2.967 5 1 EFBF O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)ncc3[nH]2)n1 587274635 XGWAPHRPTPDYFE-UHFFFAOYSA-N 340.265 2.714 5 1 EFBF CCCc1c(O)ccc2c1O[C@@](C)(c1c([N+](=O)[O-])cnn1C)CC2=O 587472889 NZCURJPYCNYRBL-QGZVFWFLSA-N 345.355 2.867 5 1 EFBF Cc1ccc(OCCCOc2ccc(C)nc2[N+](=O)[O-])c([N+](=O)[O-])n1 5225751 HCSYYTVPISNVQL-UHFFFAOYSA-N 348.315 2.758 5 1 EFBF Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] 29482168 RUTNHIKJOPLACJ-UHFFFAOYSA-N 343.364 2.866 5 1 EFBF O=C1Nc2ccccc2C(=O)N2C=C(c3cccc([N+](=O)[O-])c3)C[C@@H]12 28714149 JGFGSKPXRIBORQ-INIZCTEOSA-N 335.319 2.803 5 1 EFBF COC(=O)CC[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587260530 YJSCCMYFPSUZJJ-JTQLQIEISA-N 335.367 2.612 5 1 EFBF Cc1oc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1[N+](=O)[O-] 587268695 JGZQJYPYJQAOBN-UHFFFAOYSA-N 342.355 2.872 5 1 EFBF COc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1O 169502945 LRJDEMLEPUXHHB-UHFFFAOYSA-N 330.256 2.761 5 1 EFBF O=[N+]([O-])c1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 98083612 VLWNEGSJDHGQBP-UHFFFAOYSA-N 331.295 2.729 5 1 EFBF COCCNc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1[N+](=O)[O-] 587261609 FENCVPRBJJPKPS-UHFFFAOYSA-N 348.750 2.591 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cncc(Cl)c4[nH]3)nn2)c1 587268809 BASPCJVLGMZTJT-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF COc1ccc(Cn2c(C)nc3c([N+](=O)[O-])csc3c2=O)cc1 1857570734 JKMUOQLEMAGVMI-UHFFFAOYSA-N 331.353 2.732 5 1 EFBF Nc1cc(C(=O)O)ccc1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587248904 BOHOTRZIJLRKQK-UHFFFAOYSA-N 346.730 2.996 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(Cc2ccc(Cl)cc2)o1 84758294 QCRCRCGKQGQSCJ-UHFFFAOYSA-N 333.735 2.775 5 1 EFBF O=c1nc2n(-c3cccc(F)c3)c3c(Cl)cccc3cc-2c(=O)[nH]1 96286462 GFQMVLSKRBIQSS-UHFFFAOYSA-N 341.729 2.971 5 1 EFBF CC/C=C/COC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719564 ZRJTUIUUDGMRNL-SSBHQGKESA-N 345.355 2.946 5 1 EFBF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587653643 ZUJOVPMHMZNOPR-UHFFFAOYSA-N 341.714 2.824 5 1 EFBF Nc1ncc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1[N+](=O)[O-] 587268405 WHLNZBXVAKWVGW-UHFFFAOYSA-N 325.115 2.817 5 1 EFBF O=[N+]([O-])c1ccccc1C[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 587555788 SGDBIWKCRDWRJD-JTQLQIEISA-N 338.323 2.617 5 1 EFBF O=[N+]([O-])c1ccn(CCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1 587274391 UVTCPNQUIZGPDD-UHFFFAOYSA-N 343.240 2.857 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C2)C3=O 587434505 WNSUJPSNJRGVOH-GTNSWQLSSA-N 327.292 2.798 5 1 EFBF Cc1c(-c2nc3nc(Br)c[nH]c-3n2)cccc1[N+](=O)[O-] 587260770 DTLMHIIOCQTFBG-UHFFFAOYSA-N 334.133 2.951 5 1 EFBF COCCNc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1[N+](=O)[O-] 587261746 HNJNSSUSSBVAGB-UHFFFAOYSA-N 348.750 2.591 5 1 EFBF O=C(NCc1cnc2ccccc2c1)Nc1ncc([N+](=O)[O-])s1 1857588932 JBRYNWCBQMXOMP-UHFFFAOYSA-N 329.341 2.921 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587268086 LDBPSIXRGVZNAH-UHFFFAOYSA-N 330.304 2.748 5 1 EFBF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 45255615 LYXGBTQPFJRATQ-QGZVFWFLSA-N 341.323 2.843 5 1 EFBF COc1cc(OC)c2c(=O)c3ccccc3n(C)c2c1COC(C)=O 40864679 YDUVSFSBNRNGPF-UHFFFAOYSA-N 341.363 2.772 5 1 EFBF COCCOc1ccc(-c2nc3cncc(C)c3[nH]2)cc1[N+](=O)[O-] 587265910 SGHXAQLIFBIXBL-UHFFFAOYSA-N 328.328 2.867 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O 587430670 ABBFOAKBJINSST-UGSOOPFHSA-N 340.335 2.848 5 1 EFBF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc([N+](=O)[O-])cc3[nH]1)C2 587247315 OZRRPWBFGAECGY-GOSISDBHSA-N 338.367 2.823 5 1 EFBF Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc12 587262749 HUQAHEMKWXHUKU-UJNFCWOMSA-N 336.779 2.580 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587267478 KVOGIYDQTJJEGN-SSDOTTSWSA-N 334.267 2.633 5 1 EFBF NNc1nn2cnnc2c2c1sc1c(Br)cccc12 103172083 NBTXKUZTEYIEPF-UHFFFAOYSA-N 335.190 2.540 5 1 EFBF COc1c(OC)c(OC)c2c(=O)c3cccc(OC)c3oc2c1OC 14648831 PAXJTUYRRZEHHB-UHFFFAOYSA-N 346.335 2.989 5 1 EFBF biogenic COc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1OC 98085376 AUYRDYIHXDLXCT-UHFFFAOYSA-N 346.350 2.838 5 1 EFBF COc1c(-c2ccc3c(O)nc(O)nc3n2)cc(Cl)cc1[N+](=O)[O-] 587368400 JNEUWNQXVMJECX-UHFFFAOYSA-N 348.702 2.673 5 1 EFBF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-n1cc(C(=O)O)nn1 587647783 PTFKCUBGBGRDJF-UHFFFAOYSA-N 329.316 2.653 5 1 EFBF COc1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587092433 OROQZKXZSCMHRC-UHFFFAOYSA-N 341.249 2.906 5 1 EFBF CC(C)NC[C@H](O)CON=c1c2ccccc2oc2ccccc12 169329025 OBQGEEZYBOOWTM-AWEZNQCLSA-N 326.396 2.777 5 1 EFBF O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2c1cccc2[N+](=O)[O-] 1857634567 WEQGSRGGNBZPOF-MRXNPFEDSA-N 335.323 2.839 5 1 EFBF CSc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261943 FEVCORRCCIYWAU-ADEWGFFLSA-N 333.413 2.945 5 1 EFBF C[n+]1cccc(C(=O)OCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 13524835 QOICIPSFTMXRLV-UHFFFAOYSA-N 340.359 2.621 5 1 EFBF O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1CN1CCCC1 2419 DAOMDHINXPQIJO-KRWDZBQOSA-N 331.416 2.614 5 1 EFBF CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1[N+](=O)[O-])O2 1629055 MHBUBVYQZYQYAM-UHFFFAOYSA-N 343.339 2.784 5 1 EFBF Cc1sc2c(c1C)CCN[C@@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963004345 BZJMDUWIPNEOTG-INIZCTEOSA-N 332.381 2.747 5 1 EFBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)Nc1ccncc1 169351029 WYSDGZBHSNJSFE-CQSZACIVSA-N 344.352 2.796 5 1 EFBF O=c1c2ccccc2oc2cc(OC[C@H]3CO3)cc(OC[C@H]3CO3)c12 28822788 BQZYEEUSHBBBGK-QWHCGFSZSA-N 340.331 2.501 5 1 EFBF C[N+]1(C)[C@H]2CC[C@@H]1[C@@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 114012313 GIQCKBPBJOZAKR-YOUFYPILSA-N 344.475 2.987 5 1 EFBF O=c1nc2n(-c3ccc(O)cc3)c3cc(Cl)ccc3cc-2c(=O)[nH]1 96282709 GCWHBACBRZCRNJ-UHFFFAOYSA-N 339.738 2.538 5 1 EFBF O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1cccc(Cl)c1 14945984 ZOVCAZRXVNBAFS-UHFFFAOYSA-N 343.726 2.728 5 1 EFBF Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC[N+](C)(C)C 1857596813 WHFSUTXHVMWIPQ-UHFFFAOYSA-N 345.854 2.831 5 1 EFBF CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1ccccc1[N+](=O)[O-] 29312262 ITJORTXBVCGALI-CYBMUJFWSA-N 335.385 2.795 5 1 EFBF CN(C)CCNC(=O)c1cccc2cc3ccc(N(C)C)cc3nc12 29556045 BIQGQQMVWZPWDW-UHFFFAOYSA-N 336.439 2.745 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(CCO)cc3[nH]2)c1 587262381 RAOUKYBPVXVESS-UHFFFAOYSA-N 341.367 2.936 5 1 EFBF COc1cccc2oc3c4c(cc(O)c3c(=O)c12)O[C@H]1OCC[C@@H]41 2356720376 YQCVJKJLGICQCU-DCXZOGHSSA-N 326.304 2.883 5 1 EFBF CS(=O)(=O)Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 1772601150 KIDKUVJPRZPAIG-UHFFFAOYSA-N 332.341 2.510 5 1 EFBF O=c1ccc(=O)c2c1c1c(=O)c3ccccc3c1n2Cc1ccccc1 96935367 JGAMCAFOBDTYOG-UHFFFAOYSA-N 339.350 2.952 5 1 EFBF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645016 HMVBPRGZCWZQDL-UHFFFAOYSA-N 330.218 2.841 5 1 EFBF COc1cc(-c2nnc3nnc4c5ccccc5[nH]c4n23)ccc1O 98081963 WJCLJWQLMIWVRI-UHFFFAOYSA-N 332.323 2.535 5 1 EFBF O=[N+]([O-])c1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)c([N+](=O)[O-])c1 587264976 QWAHKKOSWRPNJL-UHFFFAOYSA-N 338.283 2.846 5 1 EFBF O=c1c2ccccc2oc2cc(OCCCO[N+](=O)[O-])cc(O)c12 1857745164 NNEGRZCBDRVGTR-UHFFFAOYSA-N 331.280 2.629 5 1 EFBF CN1CCC[C@@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086371 DJIWEZKSRKGZKD-CYBMUJFWSA-N 347.396 2.969 5 1 EFBF COc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270226 SYJJVPFDWKRKNJ-UHFFFAOYSA-N 336.311 2.727 5 1 EFBF CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 100067357 OEXHQOGQTVQTAT-ARRBULDWSA-N 332.464 2.854 5 3 EFBF in-man O=C(O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158827 KCXOWTKJJWCYBR-UHFFFAOYSA-N 331.259 2.887 5 1 EFBF COc1cc2c(cc1O)C[C@H]1c3cc(OC)c(O)cc3CC[N@+]1(C)C2 2356322428 DTWYSWAVTTYGRK-HRAATJIYSA-O 342.415 2.915 5 1 EFBF O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-] 40410449 NWFOGEPIYXJXFZ-OUJBWJOFSA-N 330.768 2.861 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3cn[nH]c3cc2[nH]1 587268054 KWZKYZOKFZSVKR-UHFFFAOYSA-N 325.332 2.716 5 1 EFBF COCCOc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1[N+](=O)[O-] 587264100 AIBHINOCLREHOX-UHFFFAOYSA-N 344.327 2.567 5 1 EFBF CC(=CCc1ccc2oc3cc(C)cc(CO)c3c(=O)c2c1O)CO 2356647964 JYCKCQUXMHGSKQ-UHFFFAOYSA-N 340.375 2.934 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 587177592 PBJYRMYQLMKZIU-UHFFFAOYSA-N 328.307 2.667 5 1 EFBF COc1ccc2cc3c4c(c(CO)c(O)c(OC)c4c2c1)C(=O)N3 13372594 JXCXFAXLWNVMEH-UHFFFAOYSA-N 325.320 2.774 5 1 EFBF biogenic Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cnccn1 98085658 MLXOOHRDTODLNA-KRWDZBQOSA-N 339.355 2.696 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1O)[C@@H](C2)C3=O 587432320 JLEPDVABINQGGI-YVEFUNNKSA-N 327.292 2.798 5 1 EFBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCCc1ccccc1 35324140 YEOIOGREMRJRBQ-UHFFFAOYSA-N 336.369 2.588 5 1 EFBF O=C1CSc2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cc2N1 587044454 XFOUFFJOAXZOKR-UHFFFAOYSA-N 327.325 2.577 5 1 EFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc3ncccc3c2[nH]1 587263857 GXNSGZGXQLIIQC-LBPRGKRZSA-N 349.350 2.967 5 1 EFBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC1CCC1 169719504 DBIWCFCKRSFDLV-ZIAGYGMSSA-N 331.328 2.532 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Cl)nc4[nH]3)nn2)c1 587270608 WPACCXKKQLTADZ-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF Cc1nn(C)c2nc3cccc([N+](=O)[O-])c3c(NCCCN(C)C)c12 169328093 FCSXPNHVUBVISY-UHFFFAOYSA-N 342.403 2.702 5 1 EFBF CN(C)CCN1C(=O)c2cccc3c2c(cc2c(N)cccc23)C1=O 26836857 MHUGEHQTARFYKA-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF COc1ccc(NC(=O)Nc2c([N+]#N)c(C)nn2C)c([N+](=O)[O-])c1 95576654 RUNORJHPCOYOBU-UHFFFAOYSA-O 332.300 2.774 5 1 EFBF COc1cncc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12 587262004 KSEQOTNXGYHGGL-UHFFFAOYSA-N 328.328 2.805 5 1 EFBF COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1NCCc2c(C)ccnc21 963069329 DOTRCYRHELSZRC-INIZCTEOSA-N 329.356 2.551 5 1 EFBF Cc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 29476941 URGDULDJPZZGPU-UHFFFAOYSA-N 343.364 2.866 5 1 EFBF O=C(Nc1nc2c([N+](=O)[O-])cccc2[nH]1)c1cccc([N+](=O)[O-])c1 40762597 VPZCCONTCXGKKV-UHFFFAOYSA-N 327.256 2.632 5 1 EFBF CC[C@@H](CO)NCc1ccc2oc3cc(OC)ccc3c(=O)c2c1 95586549 CISLGJDHKBFBLZ-ZDUSSCGKSA-N 327.380 2.815 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264438 RPSSFXOZJRDSAQ-KGYLQXTDSA-N 338.367 2.772 5 1 EFBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H]2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 6068315 GIQCKBPBJOZAKR-RCLSDMTESA-N 344.475 2.987 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1cccc(O)c1[N+](=O)[O-])[C@@H](C2)C3=O 587431786 GORSHMWBYVUSPU-SGTLLEGYSA-N 341.319 2.972 5 1 EFBF C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)c1ccccc1 28826417 WHRTYKQAKGAXTP-XZOAIXRZSA-N 342.351 2.827 5 1 EFBF O=C(O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148589 KQCFXRWOKCETSW-UHFFFAOYSA-N 331.259 2.887 5 1 EFBF C[N+]1(C)[C@H]2CC[C@@H]1[C@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 6068320 GIQCKBPBJOZAKR-QEUVDIPISA-N 344.475 2.987 5 1 EFBF COc1cc2c(-c3cccc([N+](=O)[O-])c3)nn(C)c(=O)c2cc1OC 29547584 KDWXSBQVBFSRHW-UHFFFAOYSA-N 341.323 2.526 5 1 EFBF O=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(OC(F)(F)F)cc1)O2 653732491 GCDAXSQCBCUETA-SNVBAGLBSA-N 345.233 2.530 5 1 EFBF Cc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cccc1[N+](=O)[O-] 587652882 MMZAJKAWULMZOR-UHFFFAOYSA-N 343.726 2.955 5 1 EFBF COC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1857601013 ZWNOCNUWNBAXNB-UHFFFAOYSA-N 326.308 2.539 5 1 EFBF O=C(OCc1ccccc1)[C@@H]1COC(c2ccc([N+](=O)[O-])c(F)c2)=N1 49054929 ZLGMBELRHKCZNE-AWEZNQCLSA-N 344.298 2.623 5 1 EFBF Cc1c(Cl)cc(-c2ccc3c(O)nc(O)nc3n2)c(O)c1[N+](=O)[O-] 587368072 AKDWRHOKAFQBRY-UHFFFAOYSA-N 348.702 2.679 5 1 EFBF Cc1nn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587874648 HGRJVLFOPGHUCM-UHFFFAOYSA-N 343.274 2.548 5 1 EFBF COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587388967 IHAMDCJUMMZHOU-CQSZACIVSA-N 344.323 2.906 5 1 EFBF O=c1c2cc([N+](=O)[O-])ccc2nc2n1Cc1cc3ccccc3nc1-2 28394335 KNGSTUWCEJMZRK-UHFFFAOYSA-N 330.303 2.882 5 1 EFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3c(cc2[nH]1)OCO3 587159216 NCBKAIMTNQQMGE-UHFFFAOYSA-N 331.259 2.918 5 1 EFBF Cc1cccc2c1c(=O)c1ccccc1n2C[C@@H](O)CN1CCCC1 43020259 XOXPGNSILIVIHU-INIZCTEOSA-N 336.435 2.920 5 1 EFBF Cc1cc([C@@H](c2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)sn1 28250981 IDMYNBVCLAIVER-MRXNPFEDSA-N 332.429 2.697 5 1 EFBF O=[N+]([O-])c1cncc2nc(-c3cc(Br)cnc3F)[nH]c12 587177990 KQGBQSWPSNPLKK-UHFFFAOYSA-N 338.096 2.830 5 1 EFBF COCCNc1ccc(-c2nc3ccc(CO)cc3[nH]2)cc1[N+](=O)[O-] 587261548 DKNZKAMIJJPBFG-UHFFFAOYSA-N 342.355 2.689 5 1 EFBF Nc1ccc(F)c(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587141722 ATDWTJRNUKLOKU-UHFFFAOYSA-N 331.263 2.691 5 1 EFBF CN1C(=O)c2c3ccccc3nc3c2c1c(O)c1c(=O)n(C)ccc13 13311976 DHEYNOAUAOKCSU-UHFFFAOYSA-N 331.331 2.536 5 1 EFBF biogenic Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c12 587274337 JFJIHDULYSHAJQ-UHFFFAOYSA-N 336.149 2.943 5 1 EFBF N=c1[nH]ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587110115 SKQORCBPJUEYIS-UHFFFAOYSA-N 337.261 2.888 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)cc2[nH]1 587273691 FOBBSRQGJBTLKZ-UHFFFAOYSA-N 340.112 2.773 5 1 EFBF COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c1OC 587796902 RLOPCBNMYKEIBQ-UHFFFAOYSA-N 327.296 2.968 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587434366 UCPWGESFWSGPQQ-APPDUMDISA-N 327.292 2.798 5 1 EFBF Cc1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c([N+](=O)[O-])c1 962928120 GWJXIRRRPNOOGT-SFHVURJKSA-N 339.395 2.840 5 1 EFBF O=C1C[C@H]2C[C@H]2C(=O)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103275128 YMQKLEAXQLETTD-AKGNYGMASA-N 341.241 2.591 5 1 EFBF C[N+](C)=c1ccc2nc3c(cc(NCCCO)c4ccccc43)oc-2c1 29058355 ZBUYHQIGMSRKQZ-UHFFFAOYSA-O 348.426 2.912 5 1 EFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1cccc(F)c1 72177805 TXVZITSWQZSBTC-XUIVZRPNSA-N 333.319 2.884 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N)ccc1[N+](=O)[O-])O2 587389569 LRVYESDUSCDNEM-QGZVFWFLSA-N 327.340 2.948 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3cncc(Cl)c3[nH]2)nn1CC(F)(F)F 587091776 IUSOIWAJGVVZHA-UHFFFAOYSA-N 346.656 2.945 5 1 EFBF COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1CC(=O)O 1857763481 UWPZANVKKVZKPK-UHFFFAOYSA-N 327.296 2.774 5 1 EFBF COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc([N+](=O)[O-])c1 101580771 PENVKWWXDLNRLA-DSZLRUIBSA-N 346.383 2.936 5 1 EFBF Nc1nc(-c2ccco2)c2cnn(Cc3cccc([N+](=O)[O-])c3)c2n1 29046782 LBRPYUOVBLAKJP-UHFFFAOYSA-N 336.311 2.625 5 1 EFBF O=[N+]([O-])c1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1 587263740 CYMAVLZLZKVDGI-UHFFFAOYSA-N 343.255 2.878 5 1 EFBF Cc1ccc(CNC(=O)[C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1 13478432 IODRJNKGKAZISV-KRWDZBQOSA-N 339.351 2.713 5 3 EFBF NC(=S)c1cccc(-c2cn(CCO)c3cc([N+](=O)[O-])ccc23)c1 1857577415 KIGABZXHYIDATF-UHFFFAOYSA-N 341.392 2.843 5 1 EFBF O=C1CCc2c1c1c3c(ccc1n1c(=O)c4ccccc4n21)OCO3 1911585768 QEWUTBJEJVFNTC-UHFFFAOYSA-N 332.315 2.563 5 1 EFBF COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCCCCC(=O)O 34495299 SCRRTTWGRQKWPD-UHFFFAOYSA-N 338.360 2.758 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587263117 MMGXBPMWDVVEPH-UHFFFAOYSA-N 343.299 2.704 5 1 EFBF CCc1cc(O)nc(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)n1 586966893 PXCXQJQOTHOHSV-UHFFFAOYSA-N 331.357 2.821 5 1 EFBF O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1cccc(Cl)c1 14945986 MBHMKMFMXOAEHV-UHFFFAOYSA-N 343.726 2.728 5 1 EFBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccnc(O)c3[nH]2)c1 587269029 HUHOVNCKNWISEF-UHFFFAOYSA-N 325.328 2.839 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(C)CC1 84723126 DLTKOGWONVOJSN-UHFFFAOYSA-N 328.463 2.850 5 1 EFBF COc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587270488 ZQWLJHJKEYANPA-UHFFFAOYSA-N 327.296 2.871 5 1 EFBF Nc1ncc(Cl)nc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587086022 BYBIJTAQLARPQN-UHFFFAOYSA-N 325.115 2.817 5 1 EFBF CCCCCOCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)O 169308236 LBUOIGCRCGODLO-UHFFFAOYSA-N 334.328 2.841 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(Br)cnc3F)nc2c1 587178005 LLNAYHNKQBIYGL-UHFFFAOYSA-N 338.096 2.830 5 1 EFBF Cc1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920447 KJXRRTVOHYYUQQ-UHFFFAOYSA-N 331.353 2.753 5 1 EFBF COc1ccc(C(=O)CN2[C](N)Sc3ccccc32)cc1[N+](=O)[O-] 2356843249 HKRQJBXJBSDROZ-UHFFFAOYSA-N 344.372 2.804 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccccc2O)o1 95604182 BSWHIAUNXDQLBL-UHFFFAOYSA-N 347.356 2.648 5 1 EFBF COc1cc2c3c(c1)O[C@](C)(c1ncccc1[N+](=O)[O-])[C@@H](C2)C3=O 587431784 GNVHKOHMIQPTHI-GTNSWQLSSA-N 326.308 2.661 5 1 EFBF Cc1nc([N+](=O)[O-])cn1CCCNC(=O)c1nc2ccccc2s1 299819603 ATGCSEFRFPTFFQ-UHFFFAOYSA-N 345.384 2.530 5 1 EFBF Cc1cc2[nH]c(CCNC(=O)Cc3ccccc3)nc2cc1[N+](=O)[O-] 587229010 XSUPZSAVOLIILL-UHFFFAOYSA-N 338.367 2.681 5 1 EFBF C[N+]1([O-])[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 101849641 VCOKKGOVVPZMFF-DBIVSCPCSA-N 339.347 2.983 5 1 EFBF COc1cc2c(=O)c3ccc(OC)c(OC)c3oc2c(OC)c1OC 38846887 BWKQXFDVRHEEGM-UHFFFAOYSA-N 346.335 2.989 5 1 EFBF biogenic CCn1c2cc(N3CCCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 26259648 DETQKCJRWZAYDK-UHFFFAOYSA-N 339.395 2.768 5 1 EFBF Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCOCC1 587647982 WWIZVTUZLIXDOL-UHFFFAOYSA-N 341.371 2.622 5 1 EFBF CCOC(=O)[C@@H](C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 100376868 KUUJTAUBFSBFAA-NUJGCVRESA-N 346.447 2.646 5 1 EFBF in-man O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)ncc2[nH]1 587269584 VAHVKIWWPPPWFN-UHFFFAOYSA-N 338.249 2.892 5 1 EFBF COc1ccc([C@@H](O)[C@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587934068 AOBKWFJNJSJVDA-VFZGTOFNSA-N 328.328 2.712 5 1 EFBF N=c1c2c([nH]c3ccc([N+](=O)[O-])cc13)C[C@@H](C(F)(F)F)CC2=O 1772631582 GQTIAYZCOIUFEW-ZCFIWIBFSA-N 325.246 2.863 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3ccnc(Cl)c3[nH]2)nn1CC(F)(F)F 587092082 LSOAIFAHIWSTNC-UHFFFAOYSA-N 346.656 2.945 5 1 EFBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc(O)[nH]c23)cc1 28233220 UMJSMQANDFSVDZ-UHFFFAOYSA-N 333.325 2.583 5 1 EFBF COC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587149400 RXNPVZSIOMTRMR-UHFFFAOYSA-N 345.286 2.976 5 1 EFBF CCCNC(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1 169699686 LKKHIICDQXMOCG-UHFFFAOYSA-N 328.324 2.920 5 1 EFBF CCCc1c2nc(C(=O)O)cc(C)c2cc2c(=O)cc(C(=O)O)oc12 29242091 WPTMVTJRZIAFPX-UHFFFAOYSA-N 341.319 2.999 5 1 EFBF CN(C)CCNC(=O)c1cc2c3ncccc3n(C)c2c2cccnc12 96921183 BMMUZRHARMUZOR-UHFFFAOYSA-N 347.422 2.566 5 1 EFBF O=[N+]([O-])c1ccc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1F 587148466 IEIZNZCJRPPNSM-UHFFFAOYSA-N 343.274 2.771 5 1 EFBF CCN(Cc1ccc(Cl)nc1)c1c([N+](=O)[O-])sc(=N)n1C 103292438 IPIAOJFBSOJNAS-UHFFFAOYSA-N 327.797 2.549 5 1 EFBF CC(C)C(=O)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 73179908 FAEMTXHDEIJNLS-GJZGRUSLSA-N 335.404 2.611 5 1 EFBF O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3[N+](=O)[O-])oc12 13526384 RLWXRLUQLUQTMM-UHFFFAOYSA-N 325.276 2.995 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1O)[C@@H](C2)C3=O 587432319 JLEPDVABINQGGI-SJCJKPOMSA-N 327.292 2.798 5 1 EFBF COc1cc(O)c2c(=O)c3cc([N+](=O)[O-])c(Cl)cc3n(C)c2c1 35965512 PPEYCKUIYPNHFL-UHFFFAOYSA-N 334.715 2.968 5 1 EFBF O=C(NCCN1CCCCC1)c1c[nH]c2c(ccc3ccccc32)c1=O 45506640 NYTPWNLNMNEZCD-UHFFFAOYSA-N 349.434 2.897 5 1 EFBF O=[N+]([O-])c1cc(Cl)ccc1Cc1ccc2c(O)nc(O)nc2n1 587368369 IFXDXRBTKXUPAS-UHFFFAOYSA-N 332.703 2.588 5 1 EFBF CCS(=O)(=O)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 103190794 WXBASHGEGFRQLM-UHFFFAOYSA-N 342.373 2.911 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261489 CAEPXEIPEOJNNH-RAIGVLPGSA-N 338.367 2.772 5 1 EFBF COc1cc2cc3c(O)nc(C(F)(F)F)nc3nc2cc1OC 26579986 WNLNPDYTHBGHSB-UHFFFAOYSA-N 325.246 2.920 5 1 EFBF CS(=O)(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4 28021997 IBHBQNQYGLOBPA-UHFFFAOYSA-N 329.381 2.659 5 1 EFBF CN1[C@H]2c3ccccc3[C@H]3[C@H]1[C@H]1c4ccccc4[C@H]3N(C)[C@H]1[C@@H]2[N+](=O)[O-] 169301908 UUMRZCBXYLHSJR-MVYRNHQGSA-N 347.418 2.937 5 1 EFBF C[N+]1(C)[C@@H]2CC[C@@H]1[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCC1)C2 114014232 GIQCKBPBJOZAKR-BNDYYXHWSA-N 344.475 2.987 5 1 EFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(O)ncnc2[nH]1 587110079 RQVIPSFDNBUFRT-UHFFFAOYSA-N 339.233 2.576 5 1 EFBF COCCOc1ccc(-c2nc3ccc(OC)nc3[nH]2)cc1[N+](=O)[O-] 587266488 YTQLJWZILVGDRE-UHFFFAOYSA-N 344.327 2.567 5 1 EFBF CC(=O)Oc1ccc(-c2nc(-c3ccncc3)no2)c([N+](=O)[O-])c1 169337448 CQICEFOWKOCDMD-UHFFFAOYSA-N 326.268 2.632 5 1 EFBF CSC[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28017171 IQXPCXIPJDXMRT-LLVKDONJSA-N 338.307 2.666 5 1 EFBF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(OC(F)(F)F)cc1)C2 72122776 IXUWKDINJWESQG-SNVBAGLBSA-N 345.233 2.530 5 1 EFBF COc1cc2c(cc1OC)[C@H](OC)O[C@@H]1CC=C3CC[N+](C)([O-])[C@H]3[C@H]21 238730908 MYBKBZCVRIHHSP-VTFUZUOQSA-N 347.411 2.878 5 1 EFBF CO[C@H](C)COC1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 587950754 CJOMYPBXBFPZPP-VOMCLLRMSA-N 334.376 2.944 5 1 EFBF CCN1c2ncccc2C(=O)N(C)c2cc(Cl)c([N+](=O)[O-])nc21 6385159 IFKPUHANIFRUNP-UHFFFAOYSA-N 333.735 2.786 5 1 EFBF N[C@H](N=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270413 ODRFBNILQQJCPZ-MRXNPFEDSA-N 325.328 2.980 5 1 EFBF O=C(NCc1ccc([N+](=O)[O-])cc1F)Nc1ccc2[nH]ncc2c1 96905696 ICFASIZDAIJDOJ-UHFFFAOYSA-N 329.291 2.932 5 1 EFBF Cc1cc(N(C)Cc2nc3ccnc(O)c3[nH]2)c([N+](=O)[O-])cc1F 587136097 BFIJWIYCUSQXFN-UHFFFAOYSA-N 331.307 2.656 5 1 EFBF CN1CCC[C@H]1COC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086429 CXQGRGYWWSWIEO-NSHDSACASA-N 347.396 2.969 5 1 EFBF C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(O)cc12 238753818 JTTRGCDSKZRQPP-VKYLNBMXSA-O 339.459 2.885 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264798 TVTMQRWYTYCNFG-CSMHCCOUSA-N 341.289 2.641 5 1 EFBF COc1ccc2c(=O)c3cc(CN4CCN(C)CC4)ccc3oc2c1 96927925 KAAQWTLIDPSPCK-UHFFFAOYSA-N 338.407 2.702 5 1 EFBF O=C(OCc1cccc2c1CCOC2=O)c1ccc([N+](=O)[O-])cc1 299855840 GSQXFVPYUSVIOT-UHFFFAOYSA-N 327.292 2.665 5 1 EFBF COc1ccc(C)cc1C(=O)CCc1nc2cncc([N+](=O)[O-])c2[nH]1 587785912 DRAGSEYHVICBMJ-UHFFFAOYSA-N 340.339 2.999 5 1 EFBF Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3[N+](=O)[O-])c2n1 29046780 IBFJHCJKQVECLP-UHFFFAOYSA-N 336.311 2.625 5 1 EFBF O=c1c2ccc(F)cc2ncn1CCCCCn1cnc([N+](=O)[O-])c1 473122207 RJTBMFXXYRRFIY-UHFFFAOYSA-N 345.334 2.511 5 1 EFBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C(NCc1ccccc1)S2 95584893 OZNKZSITBKPABQ-UHFFFAOYSA-N 349.393 2.535 5 1 EFBF C[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 587277259 RNMBCHMXZVSYNJ-YFKPBYRVSA-N 327.131 2.979 5 1 EFBF O=C(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1 138872987 MUDOEUYNOMWPTA-UHFFFAOYSA-N 332.268 2.530 5 1 EFBF biogenic COc1cc2c3c(c1)O[C@@]1(Cc4ccc([N+](=O)[O-])cc4C1)[C@@H](C2)C3=O 587433086 NILPZHCDGBLGBO-HNAYVOBHSA-N 337.331 2.888 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1O)[C@@H](C2)C3=O 587432208 ILNUSLAPGUPEQN-YVEFUNNKSA-N 327.292 2.798 5 1 EFBF Cc1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c([N+](=O)[O-])c1 962928119 GWJXIRRRPNOOGT-GOSISDBHSA-N 339.395 2.840 5 1 EFBF O=C(COC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 102387894 CARXIZTUWKIHCE-UPJWGTAASA-N 332.356 2.903 5 1 EFBF O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 43919999 ZJMAZGPQQSTXRS-UHFFFAOYSA-N 334.200 2.986 5 1 EFBF COC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cn1 587245233 QOKVEOYRIBUDNA-UHFFFAOYSA-N 331.263 2.851 5 1 EFBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587231031 QQBHVNGRRRVEQD-NEPJUHHUSA-N 346.387 2.508 5 1 EFBF COc1cc2ncc3c(N)nc(-c4cncn4C)cc3c2cc1OC 45261397 XJQLBUKPFCXVOK-UHFFFAOYSA-N 335.367 2.783 5 1 EFBF Nc1cc(C(=O)NCCOCc2cccc(Cl)c2)cc([N+](=O)[O-])c1 1857545450 NFFCJMWIOFFNCE-UHFFFAOYSA-N 349.774 2.777 5 1 EFBF C[C@@]1(c2ccc([N+](=O)[O-])c(F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962923609 RINMMIXSGGZLRE-YOEHRIQHSA-N 348.305 2.735 5 1 EFBF COc1cccc(/C=C/C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)c1 72177715 QQWDJYBYQDDECJ-ABZNLYFFSA-N 345.355 2.753 5 1 EFBF Cc1nc(N(C)Cc2ccccc2)nc(N2CCCC2)c1[N+](=O)[O-] 40568183 NMZUIDKYKYLUEX-UHFFFAOYSA-N 327.388 2.930 5 1 EFBF O=C(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1cccc(F)c1 587163292 OUCMMHNVYYTGMW-UHFFFAOYSA-N 329.291 2.577 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)O2 587389824 NKFHCGFZPMKFJJ-KRWDZBQOSA-N 344.371 2.723 5 1 EFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(F)cnc(Cl)c2[nH]1 587271046 YCTXKGOCKVUDQK-JTQLQIEISA-N 335.726 2.901 5 1 EFBF O=[N+]([O-])c1cccc(/C=C2/CCc3cc4c(O)nc(O)nc4nc32)c1 587554187 KECWUUDIZNRPDP-POHAHGRESA-N 336.307 2.831 5 1 EFBF COc1cc2c(c(OC)c1OC)c(=O)c1cccc(OC)c1n2C 14725160 IXTCHBCVPPPCRE-UHFFFAOYSA-N 329.352 2.726 5 1 EFBF biogenic Cn1cc(-c2ccc3c(CCCN)cc4cc[nH]c(=O)c4c3c2)cn1 28955877 PZVBEVAIDKKIPJ-UHFFFAOYSA-N 332.407 2.973 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@H]([C@@]1(C)CO1)CO2 5438832 MHXHBIQQHVEKNK-GIGQVBGESA-N 340.331 2.925 5 1 EFBF biogenic COCCOc1ccc(-c2nc3c(C)nccc3[nH]2)cc1[N+](=O)[O-] 587264107 AQGOQSOZAQEPNG-UHFFFAOYSA-N 328.328 2.867 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(Br)c2[nH]1 587273016 CNSIWROVAYOTPL-UHFFFAOYSA-N 336.149 2.787 5 1 EFBF COC(=O)c1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587269928 GIYYVEZYVJPDMX-ZDUSSCGKSA-N 340.339 2.500 5 1 EFBF C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587211237 NOOMZKPKZMPTES-TVYUQYBPSA-N 326.352 2.902 5 1 EFBF O=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13760670 HDDCQKJMNNOBJT-UHFFFAOYSA-N 325.280 2.603 5 1 EFBF Nc1cc(S(=O)(=O)c2ccccc2F)c([N+](=O)[O-])c2cccnc12 29482755 AQWXTPHDFOBIBQ-UHFFFAOYSA-N 347.327 2.697 5 1 EFBF Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2c1 587273616 FAHWFUYRKAQTAM-UHFFFAOYSA-N 336.149 2.943 5 1 EFBF CCCc1c(O)ccc2c1O[C@](C)(c1c([N+](=O)[O-])cnn1C)CC2=O 587472887 NZCURJPYCNYRBL-KRWDZBQOSA-N 345.355 2.867 5 1 EFBF Cc1ccc(Cn2nnnc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1772579517 XUTNICDGRPMKMV-UHFFFAOYSA-N 340.299 2.513 5 1 EFBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587161163 KXNJKBDVAYSFDZ-UHFFFAOYSA-N 337.288 2.524 5 1 EFBF N=c1c2c([nH]c3ccc([N+](=O)[O-])cc13)C[C@H](C(F)(F)F)CC2=O 1772631581 GQTIAYZCOIUFEW-LURJTMIESA-N 325.246 2.863 5 1 EFBF COc1c(O)cc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c1O 84602559 OQNBJPXPXUUCPJ-UHFFFAOYSA-N 329.264 2.788 5 1 EFBF COc1c([N+](=O)[O-])ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587390023 OVYSFRRYNJWEIF-CQSZACIVSA-N 344.323 2.906 5 1 EFBF COCCNc1ccc(-c2nc3cncc(C)c3[nH]2)cc1[N+](=O)[O-] 587266478 YLYLFMQIHWXMSA-UHFFFAOYSA-N 327.344 2.900 5 1 EFBF C[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277386 VDQVUTZXBBISAG-SECBINFHSA-N 341.306 2.602 5 1 EFBF CC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587265631 WHXSKGWYGLDPEQ-LBPRGKRZSA-N 340.339 2.622 5 1 EFBF CC1(C)C[C@@H](O)Oc2cc(O)c3c(=O)c4cccc(O)c4oc3c21 140039216 CEQXYFANXBIJFA-LBPRGKRZSA-N 328.320 2.736 5 1 EFBF COC(=O)c1cccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587267590 ARKPRHPHTYCYHS-UHFFFAOYSA-N 343.343 2.626 5 1 EFBF C[N@+]12CCC[C@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@H](C(=O)O)C4 1857650851 WHGVBUUDZLTMQW-GPSZQEKBSA-O 339.459 2.986 5 1 EFBF COCCNc1ccc(-c2nc3cccc(O)c3[nH]2)cc1[N+](=O)[O-] 587266002 TUGMAYYJCRGNAW-UHFFFAOYSA-N 328.328 2.902 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4ccc(N)cc4c(c23)C1=O 27557302 SGGNFDSEAJVHLN-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF Oc1nnc2c3cc(CN4CC[C@@H](O)C4)ccc3oc3cccc1c32 34658882 NTFPSEQXKLIITP-GFCCVEGCSA-N 335.363 2.801 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1c(F)ccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587424746 UDMRDDPDSKXPPZ-XYZCENFISA-N 345.282 2.937 5 1 EFBF COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCO)c2c1 27109214 OCLDCVSGZONTSE-UHFFFAOYSA-N 326.312 2.580 5 1 EFBF C[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc([N+](=O)[O-])cn1 587276508 LKTUDQFPVISHJR-ZCFIWIBFSA-N 337.242 2.598 5 1 EFBF CSc1nc2n(n1)c1ccccc1c1nnc(-c3ccncc3)n12 200312479 LTOWMELVELASTM-UHFFFAOYSA-N 333.380 2.709 5 1 EFBF C[C@H]1[C@H]2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1 101198851 GCFPNZRENRSQOW-MAAWUACBSA-N 343.427 2.628 5 1 EFBF COc1cccc(/C=C/C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)c1 72177716 QQWDJYBYQDDECJ-GUOLPTJISA-N 345.355 2.753 5 1 EFBF COc1cccc2oc3c4c(cc(O)c3c(=O)c12)O[C@H]1OCC[C@H]41 2356720377 YQCVJKJLGICQCU-NTCNTBNZSA-N 326.304 2.883 5 1 EFBF O=C(O)CCC[C@@H]1[C@H]2CCC[N+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23 72113615 HNMGWVJBZMTABI-LVIAMWJXSA-N 336.476 2.839 5 1 EFBF CCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139015553 GBYNUBATBYWGFH-XMMPIXPASA-N 346.360 2.781 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)cnc4[nH]3)nn2)c1 587268804 AYBCPBBNPYZHKV-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF N[C@@H](Cc1cc(-c2ccc(O)cc2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857763430 FZGVWBSNWQPMPS-LBPRGKRZSA-N 336.731 2.575 5 1 EFBF O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@H]1[N+](=O)[O-] 299807677 NWFOGEPIYXJXFZ-GIPNMCIBSA-N 330.768 2.861 5 1 EFBF O=C(O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264391 MXHGBTDXIJITOZ-UHFFFAOYSA-N 342.267 2.668 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@H]1C[N+](=O)[O-] 587261492 CAEPXEIPEOJNNH-WXHSDQCUSA-N 338.367 2.772 5 1 EFBF O=C(O)c1nn2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2c1Cl 29060610 FIRHHBNCQQVJPP-UHFFFAOYSA-N 343.082 2.501 5 1 EFBF Cn1nnc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C(F)F 587129231 ULFPNAFDXGJJCJ-UHFFFAOYSA-N 328.666 2.858 5 1 EFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 587265129 NKIMHQSRKNAGFG-QMMMGPOBSA-N 328.288 2.947 5 1 EFBF COc1cc2c3c(c1)O[C@](C)(c1cc(N)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434718 ZMJWCURADCGNIH-SCLBCKFNSA-N 340.335 2.848 5 1 EFBF CC(C)OC(=O)c1cc(=O)c(O)c2oc3cc(N(C)C)ccc3nc1-2 653794561 YHODKBAKTVYPDY-UHFFFAOYSA-N 342.351 2.630 5 1 EFBF CCCc1cc(O)c2c(c1)c1cc3c(cc1c(=O)n2CCN)OCO3 222158623 NKTPRZQYGYSGGX-UHFFFAOYSA-N 340.379 2.500 5 1 EFBF O=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 26289474 XNIHAWSKOKRBGB-UHFFFAOYSA-N 337.335 2.618 5 1 EFBF C[C@@H]1C[C@@H](CCCC[N+]2([O-])CCC[C@@H]2[C@H]2C[C@@H](C)C(=O)O2)OC1=O 238738029 LSKCQFRFNXFNJF-BDZWFFQZSA-N 339.432 2.537 5 1 EFBF COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587388426 BIEUIXZBIWXMHL-ZDUSSCGKSA-N 329.312 2.596 5 1 EFBF CCS(=O)(=O)c1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 586921078 BUKCLUSEOPGAJE-UHFFFAOYSA-N 345.380 2.856 5 1 EFBF O=C(N[C@H]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)OC1)c1ccccc1 28826668 UNNFVXRDDBTYDI-YJBOKZPZSA-N 342.351 2.829 5 1 EFBF O=[N+]([O-])c1ccc2c(c1)N[C@H](c1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]21 1857755690 PCIAQZJVTJJPPB-DEORAPPZSA-N 326.352 2.587 5 1 EFBF Nc1ncc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587268473 ZLOKJBITTGJBAR-UHFFFAOYSA-N 327.197 2.672 5 1 EFBF O=C(Cc1ccccc1)NCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587228492 MZTANVWRVRUGPT-UHFFFAOYSA-N 342.330 2.512 5 1 EFBF Nc1ccc(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])cc1 29481409 YNZJTPJJTCNBFJ-UHFFFAOYSA-N 329.337 2.558 5 1 EFBF O=C1CCCc2[nH]nc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c21 1911575645 XYWYPLYOPPVQCQ-UHFFFAOYSA-N 325.284 2.554 5 1 EFBF O=C1C(=O)N(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 95593054 ZWXUVRJUSWPGML-UHFFFAOYSA-N 345.292 2.740 5 1 EFBF CCOCCOCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587779286 XZOLJGCAFBZOEY-UHFFFAOYSA-N 344.165 2.787 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3ccc(O)cc3[nH]2)nn1CC(F)(F)F 587091145 BQQYWNLEFUOQNH-UHFFFAOYSA-N 327.222 2.603 5 1 EFBF CC(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270724 ZJTCMZBZMGRIMN-UHFFFAOYSA-N 348.322 2.921 5 1 EFBF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587174004 FEOCNRJVEWYFPX-GFCCVEGCSA-N 340.318 2.729 5 1 EFBF COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 299851838 KLIBEXSKDWPXPM-UHFFFAOYSA-N 346.295 2.563 5 1 EFBF Nc1cc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c2cccnc12 29481377 SDNFMQYXMDPKGQ-UHFFFAOYSA-N 344.352 2.526 5 1 EFBF CN1[C@H]2[C@@H]3c4ccccc4[C@H]1[C@H]([N+](=O)[O-])[C@@H]1[C@H]2c2ccccc2[C@H]3N1C 253989107 UUMRZCBXYLHSJR-LZZNHIFKSA-N 347.418 2.937 5 3 EFBF O=[N+]([O-])c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 587128349 LJHCKMIXLPYCJX-UHFFFAOYSA-N 331.242 2.513 5 1 EFBF COc1cc(-c2nc3ccc(CCO)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260797 FUBYEKWZDTWWBO-UHFFFAOYSA-N 343.339 2.690 5 1 EFBF O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3ccncc3c21 40430621 UYTQMJLOCWINRB-UHFFFAOYSA-N 342.314 2.940 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 586914259 YLOBEKCMTZOQOG-UHFFFAOYSA-N 340.339 2.668 5 1 EFBF Cc1cc(F)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 587264625 GWLAWPYBIIUAQM-NSHDSACASA-N 330.319 2.867 5 1 EFBF C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(Cl)cn1 587081518 BIPUMFQZGNTJPP-LURJTMIESA-N 336.695 2.839 5 1 EFBF COC(=O)c1ccc(N2CCc3ccc([N+](=O)[O-])cc3C2=O)cc1 621476361 HKSZAEOOKRGZQJ-UHFFFAOYSA-N 326.308 2.584 5 1 EFBF C[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C 587191606 NDOCJCJTWHSAIR-ZETCQYMHSA-N 327.182 2.726 5 1 EFBF CN1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 31847967 QOEKFFVSMAMJEU-UHFFFAOYSA-N 345.450 2.985 5 1 EFBF O=C(Cc1ccccc1Cl)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 473123909 MNWPDTYDSLBNAS-UHFFFAOYSA-N 347.758 2.546 5 1 EFBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1C 587262210 GFITZUVOWUAMNG-ADEWGFFLSA-N 331.372 2.540 5 1 EFBF CN(C)CCNC(=O)c1cccc2cc3cccc(N(C)C)c3nc12 29563915 VTTRGWYOTZUEIQ-UHFFFAOYSA-N 336.439 2.745 5 1 EFBF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc([N+](=O)[O-])cc3[nH]1)C2 587247316 OZRRPWBFGAECGY-SFHVURJKSA-N 338.367 2.823 5 1 EFBF C[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277310 SMYYFOMJBILFFR-BYPYZUCNSA-N 329.213 2.833 5 1 EFBF COc1nccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12 587136939 LTLOSOQLXVPUIR-UHFFFAOYSA-N 345.334 2.959 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587273388 HXQSOXCQONXMEF-UHFFFAOYSA-N 327.131 2.726 5 1 EFBF COC(=O)CCCn1c(=O)c2cc3c(cc2c2ccccc21)OCO3 13410425 VGPJCNYMPYIQGO-UHFFFAOYSA-N 339.347 2.837 5 1 EFBF biogenic CC1=C/C(=C/CCC[N+]2([O-])CCC[C@H]2[C@H]2C=C(C)C(=O)O2)OC1=O 14636777 UUFXPZXKYDOLIQ-QPTGGWRMSA-N 333.384 2.502 5 1 EFBF O=[N+]([O-])c1ccc(N2CCc3c(cccc3[N+](=O)[O-])C2)c([N+](=O)[O-])c1 73200349 IFWAQTLLHFXJNH-UHFFFAOYSA-N 344.283 2.974 5 1 EFBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccccn1 1911586890 BQQLQLQVGLCZRN-UHFFFAOYSA-N 334.291 2.766 5 1 EFBF Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc(OC(F)(F)F)cc1 147943 AKVBJFMVKMQKDO-UHFFFAOYSA-N 329.234 2.881 5 3 EFBF C[S@](=O)CCCCNC(=S)SCc1cccc([N+](=O)[O-])c1 1857609095 HTIULLHIFFASES-NRFANRHFSA-N 346.499 2.861 5 1 EFBF O=[N+]([O-])c1cncc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586996582 HOVUNRTZWVYERS-GFCCVEGCSA-N 349.144 2.710 5 1 EFBF CCN(CC)CCNc1ccc2nnn3c4ccccc4c(=O)c1c23 5732909 ODUVNHPURYHOJK-UHFFFAOYSA-N 335.411 2.587 5 1 EFBF O=c1c(O)cc2c3c4cccc(O)c4c(=O)c(O)c-3c3ccc(O)c1c3-2 13380131 GDBPSUDGMSOCJK-UHFFFAOYSA-N 346.294 2.621 5 1 EFBF biogenic O=[N+]([O-])c1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1[N+](=O)[O-] 586899735 RSUJPSQYTHJKEV-UHFFFAOYSA-N 346.343 2.964 5 1 EFBF CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c([N+](=O)[O-])c1 13151820 NCYZJBUFZVRLLQ-NUMJRFHMSA-N 342.351 2.695 5 1 EFBF Nc1cc2nc3cc(C(=O)c4ccccc4)cc(O)c3oc-2cc1=O 13346799 GJXJLZAMYAYPKI-UHFFFAOYSA-N 332.315 2.812 5 1 EFBF biogenic COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N+]1(C)[O-])OCO4 15204428 NXKGXYXKEYAJTA-HGUAOMBGSA-N 341.363 2.969 5 1 EFBF biogenic,in-vitro COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1O 587391805 ZFFDCJWHOYFEHC-OAHLLOKOSA-N 344.323 2.906 5 1 EFBF COCCNc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1[N+](=O)[O-] 587266421 XCERICJFPNDSGA-UHFFFAOYSA-N 328.328 2.902 5 1 EFBF COc1cc(-c2nc3ccnc(OC)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260833 HZEOBYKCUZRTEH-UHFFFAOYSA-N 330.300 2.559 5 1 EFBF O=[N+]([O-])c1c(NCCCO)cc(Nc2ccc(F)cc2)c2nonc12 4564860 FHHZOEZSHUCDJI-UHFFFAOYSA-N 347.306 2.808 5 1 EFBF CC(=O)Nc1ccc(NCCN(C)C)c2c(=O)c3ccccc3[nH]c12 27560483 SFWGTVHEXRCKPE-UHFFFAOYSA-N 338.411 2.613 5 1 EFBF CCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 72112470 OEQOCJAWIUATCY-GOSISDBHSA-N 343.407 2.523 5 1 EFBF O=[N+]([O-])c1ccccc1-c1nnc2nnc3c4ccccc4[nH]c3n12 98083614 SDSHPUPPBJPMOD-UHFFFAOYSA-N 331.295 2.729 5 1 EFBF COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc1 45245909 QWDRRZSMJHPUCA-KRWDZBQOSA-N 341.323 2.843 5 1 EFBF O=C(O)/C=C/C=C/c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587966864 YTVGNSCFXRIXIB-ZPUQHVIOSA-N 338.117 2.888 5 1 EFBF CCCc1c(O)ccc2c1O[C@](C)(c1nn(C)cc1[N+](=O)[O-])CC2=O 587471466 RFBOJPHRNTVLJU-KRWDZBQOSA-N 345.355 2.867 5 1 EFBF COc1ccc(C(=O)OC[C@@H]2CN2c2cccc([N+](=O)[O-])c2)cc1 95568094 PCJWPHOFLFNZEH-BUSXIPJBSA-N 328.324 2.649 5 3 EFBF Nc1ncc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1[N+](=O)[O-] 587267839 GZQWKAYTIMIQKY-UHFFFAOYSA-N 325.115 2.817 5 1 EFBF CCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 169348081 ZARKETKGHVGDCC-INIZCTEOSA-N 329.312 2.989 5 1 EFBF COc1c(O)c2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1CCO[C@@H]1O2 6483461 FAYWFTGEUVDVPA-ULCDLSAGSA-N 342.303 2.588 5 1 EFBF biogenic Cc1c(F)ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586919864 IPTCZDYHPOWIGW-UHFFFAOYSA-N 349.343 2.893 5 1 EFBF CC1=NC(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)C 101739689 TZMYRDILZSQPJW-STQMWFEESA-N 335.385 2.553 5 1 EFBF Cc1cc2c(cc1O)[C@H](c1ccc([N+](=O)[O-])cc1C)N[C@H](C(=O)O)C2 963511622 UKRJBAFGGNTGMT-RDJZCZTQSA-N 342.351 2.606 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cnc(Cl)[nH]c-3n2)c1 587261926 KISFOFOVRYEBAZ-UHFFFAOYSA-N 333.735 2.796 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@@H](C2)C3=O 587432206 ILNUSLAPGUPEQN-SJCJKPOMSA-N 327.292 2.798 5 1 EFBF C/C=C1/C[N+]2(C)CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 13309610 OPCLJEJEFPIFJR-UTRWICTHSA-O 337.443 2.976 5 1 EFBF COc1cc(C)c(N)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587250430 WCGJGJQLWSJTJG-UHFFFAOYSA-N 343.299 2.946 5 1 EFBF Cc1cc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2cc1[N+](=O)[O-] 587959876 RNKABJGEWNVJIH-UHFFFAOYSA-N 325.324 2.997 5 1 EFBF O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 4870179 CARXIZTUWKIHCE-XQQFMLRXSA-N 332.356 2.903 5 1 EFBF O=C(C1CCCCC1)N1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])o3)C[C@H]2C1 1857757884 YJQVAZCOMHCIPE-GJZGRUSLSA-N 347.415 2.658 5 1 EFBF Cc1nc2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2cc1Br 587267737 FQXAQSXPMVPJGK-UHFFFAOYSA-N 349.148 2.581 5 1 EFBF Nc1ncccc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587254526 LJHHCULANYYUOL-UHFFFAOYSA-N 348.160 2.802 5 1 EFBF Cc1c([N+](=O)[O-])c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)nn1C 587874697 IDBPGVUMBIYPPL-UHFFFAOYSA-N 343.274 2.434 5 1 EFBF C[C@H]1[C@H]2Cc3ccc(C(N)=O)c([N+](=O)[O-])c3[C@@]1(C)CCN2CC1CC1 101198838 VAVLSXBKEUZULA-CQOVVYFZSA-N 343.427 2.628 5 1 EFBF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(NC3CC3)cc21 5834342 RIBTUVNZCIAWLZ-UHFFFAOYSA-N 345.355 2.937 5 1 EFBF CCOC(=O)c1nn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 72177323 MLZMOVDZLKAKBX-UHFFFAOYSA-N 339.307 2.810 5 1 EFBF O=C(O)CNCCNCc1nc2c3ccccc3c3ccccc3c2[nH]1 587228826 IDOBLBYECUDDPU-UHFFFAOYSA-N 348.406 2.633 5 1 EFBF O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 4870183 CARXIZTUWKIHCE-YNEHKIRRSA-N 332.356 2.903 5 1 EFBF C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCCC1 73163699 NVSYZLKDFATHHJ-HXUWFJFHSA-N 331.480 2.780 5 1 EFBF CN(C)c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nc1 587194546 JDCVRZRUZYZTRK-UHFFFAOYSA-N 328.288 2.507 5 1 EFBF Cc1ccc2nc3c4ccccc4c(NCCN(C)C)nn3c(=O)c2c1 1772652693 KNGPHYFEZYQTBR-UHFFFAOYSA-N 347.422 2.678 5 1 EFBF C[N+]1(C)[C@@H]2CC[C@@H]1[C@@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 114012310 GIQCKBPBJOZAKR-WERVVEIQSA-N 344.475 2.987 5 1 EFBF N[C@@H](Cc1cc(-c2cccc(O)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857756565 NFCTWNKUZDOYLC-LBPRGKRZSA-N 336.731 2.575 5 1 EFBF COc1ccc2cc3c4c(c(O)c(CO)c(OC)c4c2c1)C(=O)N3 238733507 WKSPCADYENSRPO-UHFFFAOYSA-N 325.320 2.774 5 1 EFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587158769 IJXKFVJOVBCETH-UHFFFAOYSA-N 343.274 2.771 5 1 EFBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587230055 GNTCTJHHVICBCK-CHWSQXEVSA-N 346.387 2.508 5 1 EFBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F 587645056 IXVQOPKRDUKQIP-UHFFFAOYSA-N 330.218 2.998 5 1 EFBF O=c1c2ccccc2oc2cc(OC[C@@H]3CO3)cc(OC[C@H]3CO3)c12 28822787 BQZYEEUSHBBBGK-CHWSQXEVSA-N 340.331 2.501 5 1 EFBF Cc1cc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c(C)n1 587268819 BIGZGDPOWDZFAT-UHFFFAOYSA-N 335.327 2.731 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@H]1[C@@H]2CC[C@@H]1C[C@H]1O[C@@H]21 195515494 JDULDANUKPNHRN-AVWBOGIMSA-N 349.299 2.617 5 1 EFBF CN(C)CCNC(=O)c1cccc2c1Oc1ccc([N+](=O)[O-])cc1O2 13650219 CDERSFOVONNAKI-UHFFFAOYSA-N 343.339 2.784 5 1 EFBF CN(C)CCOC(=O)Cc1cccc2c(=O)c3ccccc3oc12 26729279 XNXHHWFTVAEYAY-UHFFFAOYSA-N 325.364 2.594 5 1 EFBF O=[N+]([O-])c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Cl 586923958 BTQKQEQIKZKEQU-UHFFFAOYSA-N 343.792 2.982 5 1 EFBF COc1cccc(OC)c1-c1nnc(-c2cc([N+](=O)[O-])cn2C)o1 103278110 DMQKLJDENTYOAH-UHFFFAOYSA-N 330.300 2.668 5 1 EFBF CN(C)CCN1C(=O)c2ccc(N)c3cc4ccccc4c(c23)C1=O 29343825 FQTOKODHDWOSTC-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF O=C(O)CSc1ncccc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 586966695 JQDUXGKLRRVNTD-UHFFFAOYSA-N 348.315 2.849 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587424745 UDMRDDPDSKXPPZ-HUTHGQBESA-N 345.282 2.937 5 1 EFBF C[C@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@@H]4C[C@H]2[C@H]1[C@@H](O)[N@@+]43C 299824643 LMYDARNIDZIMKO-QBXUANICSA-N 339.459 2.594 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434626 XFNGGZCKFQNKCL-GUYCJALGSA-N 327.292 2.798 5 1 EFBF COCCOc1ccc(-c2nc3cccc(O)c3[nH]2)cc1[N+](=O)[O-] 587264726 IPBWCLWLUAVBFG-UHFFFAOYSA-N 329.312 2.869 5 1 EFBF COc1cc2c3c(c1)O[C@@]1(Cc4cccc([N+](=O)[O-])c4C1)[C@@H](C2)C3=O 587430972 LJBQCEFETWYEJX-IFXJQAMLSA-N 337.331 2.888 5 1 EFBF CS(=O)(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 586950838 NPTWJTPUWVDDFX-UHFFFAOYSA-N 332.341 2.510 5 1 EFBF CO/[S@@](=N/S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 17215937 FQSXCBXRSPJKBF-NRFANRHFSA-N 340.382 2.706 5 1 EFBF O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 101136740 LCBPOSVOPCDBGG-BETUJISGSA-N 329.360 2.844 5 1 EFBF COCCN(CCOC)c1ccc2nc3ccc(=O)cc-3sc2c1 141347721 MBELZXPSLFAHEF-UHFFFAOYSA-N 344.436 2.861 5 1 EFBF in-vivo COc1cc2c3c(c1)O[C@](C)(c1cccc(O)c1[N+](=O)[O-])[C@@H](C2)C3=O 587431785 GORSHMWBYVUSPU-KPZWWZAWSA-N 341.319 2.972 5 1 EFBF COC(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc([N+](=O)[O-])c1 101580753 PENVKWWXDLNRLA-LGSVPQMISA-N 346.383 2.936 5 1 EFBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1cccc(F)c1 72177806 TXVZITSWQZSBTC-MLRMMBSGSA-N 333.319 2.884 5 1 EFBF Cc1nn(C)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1[N+](=O)[O-] 587874522 DZTFDMOBNNUMHJ-UHFFFAOYSA-N 343.274 2.434 5 1 EFBF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 587648855 NASMDJQOPVMCSY-UHFFFAOYSA-N 339.307 2.884 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3ccc4c(ccn4C)c3nc12 27869132 VAFAKEIDCNCWAF-UHFFFAOYSA-N 347.422 2.566 5 1 EFBF COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1OC 587268186 NJIJFXPPVVJJFD-UHFFFAOYSA-N 345.359 2.857 5 1 EFBF Cc1nc([N+](=O)[O-])cn1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876086 YQBXFZNBZPTRON-UHFFFAOYSA-N 343.274 2.548 5 1 EFBF O=[N+]([O-])c1cncc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587091765 ORQFIGWJGXBSIV-UHFFFAOYSA-N 339.233 2.869 5 1 EFBF CN(c1ccc([N+](=O)[O-])cc1OC1CCCCC1)S(C)(=O)=O 13681997 XUTRIFOOWNFPBJ-UHFFFAOYSA-N 328.390 2.702 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1cc(N)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434719 ZMJWCURADCGNIH-UGSOOPFHSA-N 340.335 2.848 5 1 EFBF N=c1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c[nH]1 587253347 IQACVXVAYDQQDG-UHFFFAOYSA-N 348.160 2.632 5 1 EFBF C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)c(I)c1 169330358 SKTWVRFMTJJUSJ-UHFFFAOYSA-N 348.272 2.704 5 1 EFBF CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 100067359 OEXHQOGQTVQTAT-NKSMOILXSA-N 332.464 2.854 5 3 EFBF in-man C[S@](=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 29127718 GERVQWAVCOQJLT-XMMPIXPASA-N 343.364 2.565 5 1 EFBF O=C(O)c1cn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2c1=O 299833871 AIHFUBRYLIUUTM-UHFFFAOYSA-N 342.282 2.795 5 1 EFBF C[N+](C)(C)CCO[P@](=O)(O)Cc1ccc(Br)cc1 103250447 FTTDYYBVZCWKHD-UHFFFAOYSA-O 337.174 2.857 5 1 EFBF COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2ccccn2c1C=O 73140104 GYXDBDCKCCBONK-UHFFFAOYSA-N 327.296 2.739 5 1 EFBF CCCCCn1nnnc1-c1nc2cc3ccccc3cc2[nH]c1=O 95569222 ZIVSWIHUWWVTIF-UHFFFAOYSA-N 334.383 2.920 5 1 EFBF Cc1ccc2nc3c4ccccc4c(N4CCOCC4)nn3c(=O)c2c1 1772623772 WQRNZLWHXVILQT-UHFFFAOYSA-N 346.390 2.541 5 1 EFBF O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(Cl)cc2)c(Br)n1 66077248 PUSJQPBGIPKNHK-SECBINFHSA-N 346.568 2.941 5 1 EFBF COc1cnc2c3c(nc4ccccc4c13)-c1ccn(C)c(=O)c1C2=O 14612745 RLQDQAGFBLVEKA-UHFFFAOYSA-N 343.342 2.702 5 1 EFBF biogenic COc1ccccc1Oc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O 473146071 CLLIMIGBXYECCK-UHFFFAOYSA-N 338.341 2.767 5 1 EFBF C[C@H](Cc1ccccc1)N(C)Cc1nc([C@H]2CC[C@@H]([N+](=O)[O-])O2)no1 254144418 JXNOGAWCEGEVMX-XPKDYRNWSA-N 346.387 2.587 5 1 EFBF Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587513957 VVRIUZJXLSOBSA-OAHLLOKOSA-N 327.340 2.914 5 1 EFBF O=C(O)c1cccnc1SCc1nc2cccc([N+](=O)[O-])c2[nH]1 586969269 UZGXZZRQJFFZLV-UHFFFAOYSA-N 330.325 2.857 5 1 EFBF CC(=O)N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 587217587 XUFLUIPVFUFANV-CYBMUJFWSA-N 339.355 2.594 5 1 EFBF O=[N+]([O-])c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 587128744 PROHKSAOMNEOFQ-UHFFFAOYSA-N 331.242 2.513 5 1 EFBF O=C(O)c1ccc([N+](=O)[O-])c(-c2c(C(=O)O)cccc2[N+](=O)[O-])c1 26498052 GGECWNJPDYGZKL-UHFFFAOYSA-N 332.224 2.566 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](COc1ccc([N+](=O)[O-])cc1)O2 587390932 SNFCVZUXZRLJBX-CYBMUJFWSA-N 328.324 2.898 5 1 EFBF Cn1c([N+](=O)[O-])cnc1SCCCOc1ccc(C(=O)O)cc1 169346995 PURVTSQPKNJYSW-UHFFFAOYSA-N 337.357 2.588 5 1 EFBF CCOC(=O)CNc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587224973 LLAZTMLXMSKIAZ-UHFFFAOYSA-N 341.327 2.508 5 1 EFBF O=C(O)CC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 203037749 NGAAELHNZJRKPC-UHFFFAOYSA-N 340.295 2.551 5 1 EFBF C[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(Cl)cn1 587081519 BIPUMFQZGNTJPP-ZCFIWIBFSA-N 336.695 2.839 5 1 EFBF Cc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1[N+](=O)[O-] 587129319 WQMXVAKIOVXCJV-UHFFFAOYSA-N 345.269 2.822 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)O2 587389983 OMIVEJUUBOPURY-OAHLLOKOSA-N 342.307 2.710 5 1 EFBF N[C@H](N=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158765 IHOOAVOCFSOKNJ-OAHLLOKOSA-N 345.290 2.913 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)OCO3 587270392 WXABZKZTYFXTLF-UHFFFAOYSA-N 341.279 2.591 5 1 EFBF O=C(CC[C@@H]1C(=O)C2CCN1CC2)c1ccc(Cl)c([N+](=O)[O-])c1 26379543 LBUFKZCWRXMQQI-CYBMUJFWSA-N 336.775 2.874 5 1 EFBF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587069282 HODBUGCKLBDVEN-JTQLQIEISA-N 331.763 2.805 5 1 EFBF CCn1cc([N+](=O)[O-])c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280280 QWYHNOZCHONZJL-UHFFFAOYSA-N 330.256 2.697 5 1 EFBF Cc1nc([N+](=O)[O-])cn1Cc1nn(CNc2ccccc2)c(=S)o1 1857592094 GPDVPAUUYGGLAV-UHFFFAOYSA-N 346.372 2.737 5 1 EFBF COC1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 250376544 KRNGHXQYXMLRDK-IKGGRYGDSA-N 338.367 2.994 5 1 EFBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1CCO[C@@H]1O2 14715670 RHGQIWVTIHZRLI-NTCNTBNZSA-N 326.304 2.883 5 1 EFBF endogenous,in-man O=[N+]([O-])c1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041708 OWESZNAGELEOBT-KGLIPLIRSA-N 341.396 2.812 5 1 EFBF COc1cc(OC)c2c(=O)c3c(OC)c(OC)c(OC)cc3oc2c1 14648911 UEIXFYUXXPWCKA-UHFFFAOYSA-N 346.335 2.989 5 1 EFBF biogenic CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586964070 UEOKKMGTNMBJOK-JTQLQIEISA-N 346.372 2.914 5 1 EFBF CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1Oc1ccccc1O2 1629053 DHKUZINVEZYFKU-UHFFFAOYSA-N 343.339 2.784 5 1 EFBF C[S@@](=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 29127717 GERVQWAVCOQJLT-DEOSSOPVSA-N 343.364 2.565 5 1 EFBF O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccccc1 263592013 PLUYKFMJYJAPBK-UHFFFAOYSA-N 345.746 2.574 5 3 EFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587270824 QZWDNMLADRHNNI-NSHDSACASA-N 345.290 2.761 5 1 EFBF CCOC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267998 VILVATLLYGJRAC-JTQLQIEISA-N 343.343 2.762 5 1 EFBF COC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158748 HIUPGKHJJLAXAM-UHFFFAOYSA-N 345.286 2.976 5 1 EFBF N[C@H](Cc1cc(-c2cccc(O)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857756564 NFCTWNKUZDOYLC-GFCCVEGCSA-N 336.731 2.575 5 1 EFBF Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23 101446254 KPWXNVNNCQMVCZ-UHFFFAOYSA-N 338.386 2.860 5 1 EFBF C[N@@+]1([O-])[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 263591791 VCOKKGOVVPZMFF-QVDMIQRCSA-N 339.347 2.983 5 3 EFBF N[C@@H]1CC[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1 587247320 YQWSCPJXQUTNME-NKWVEPMBSA-N 325.166 2.828 5 1 EFBF CCCC[N+]1(C)OI(=O)(O)c2ccccc21 64625149 SCFQOGPKAHRBQK-UHFFFAOYSA-O 338.165 2.749 5 1 EFBF in-vitro N[C@@H](N=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158764 IHOOAVOCFSOKNJ-HNNXBMFYSA-N 345.290 2.913 5 1 EFBF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cn1 587245159 OVYKKIKDLLDLON-UHFFFAOYSA-N 340.343 2.913 5 1 EFBF O=[N+]([O-])c1cncc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587074934 BDLSVPSTCKAUDI-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF O=C(O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1 6251339 RKJXWOJUCCBWSC-UHFFFAOYSA-N 334.416 2.921 5 1 EFBF in-vivo O=c1nc2n(-c3cccc(F)c3)c3cccc(Cl)c3cc-2c(=O)[nH]1 28641051 VYGPJMOXSOJFFM-UHFFFAOYSA-N 341.729 2.971 5 1 EFBF C[C@@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)F 13649221 DRBBFWIVYZXQEX-JTQLQIEISA-N 328.193 2.568 5 1 EFBF CCCc1c2nc(C(=O)O)ccc2cc2c(=O)cc(C(=O)O)oc12 29231878 VXBGYDJPCRRYBV-UHFFFAOYSA-N 327.292 2.690 5 1 EFBF COC(=O)c1c2cc[n+](CCN)cc2c(C)c2c1[nH]c1ccccc12 136541384 QNRXDPSLPRXXMV-UHFFFAOYSA-O 334.399 2.816 5 1 EFBF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587270312 LWOXCWLVGIOLFY-UHFFFAOYSA-N 347.352 2.503 5 1 EFBF O=[N+]([O-])c1cn(C[C@H](O)c2ccc(Cl)cc2)c(Br)n1 66077251 PUSJQPBGIPKNHK-VIFPVBQESA-N 346.568 2.941 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587274802 MSDWTZOVUZAOIX-UHFFFAOYSA-N 327.222 2.770 5 1 EFBF Cc1cc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2cc1[N+](=O)[O-] 587095240 ZLFAGKCXFXEXAF-ZETCQYMHSA-N 330.266 2.909 5 1 EFBF COc1cc2c3c(c1)O[C@@H](COc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431447 FHWZLLSSULFURK-ZBFHGGJFSA-N 341.319 2.798 5 1 EFBF O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N1 28571683 WGJXDLRNBHFDPE-CQSZACIVSA-N 340.295 2.594 5 1 EFBF C[N+]12CCC[C@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@H](C(=O)O)C4 238739517 WHGVBUUDZLTMQW-SRRBXEMYSA-O 339.459 2.986 5 1 EFBF O=C(O)CCC[C@@H]1[C@H]2CCC[N@@+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23 253733811 HNMGWVJBZMTABI-DBALVGSCSA-N 336.476 2.839 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587273567 IQABXIJBLQMRFV-UHFFFAOYSA-N 341.249 2.923 5 1 EFBF CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570562 CHUUXGCSYDHTHR-LURJTMIESA-N 329.359 2.750 5 1 EFBF COCCOc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-] 587266486 YRDYVCVZKZFCKB-UHFFFAOYSA-N 328.328 2.867 5 1 EFBF O=C(NCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cscn1 587027782 GTIBSETVTVYOIY-UHFFFAOYSA-N 337.748 2.511 5 1 EFBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])n(C)n1)CC2=O 587470897 MUGCFOIDMBCVJE-CQSZACIVSA-N 331.328 2.693 5 1 EFBF O=C(OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1ccccc1 1911576750 IOBCWRQZTCCMEU-UHFFFAOYSA-N 338.323 2.592 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cnc2[nH]1 587270431 XQUFFEPFANOXFF-UHFFFAOYSA-N 332.703 2.911 5 1 EFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 587264490 GNZYZYXAFNMPDR-ZETCQYMHSA-N 344.287 2.653 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1ccncc1[N+](=O)[O-])[C@@H](C2)C3=O 587430744 BNWYKOGCVIRTBV-SJCJKPOMSA-N 326.308 2.661 5 1 EFBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3n(C)c2ccc(O)cc12 14691679 JTTRGCDSKZRQPP-IHJDTNHUSA-O 339.459 2.885 5 1 EFBF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c([N+](=O)[O-])c1 587368432 KAOQCLBAUKNQBF-UHFFFAOYSA-N 332.703 2.973 5 1 EFBF O=c1c([N+](=O)[O-])ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(O)c1-2 169714021 YNIKWNYNPPVTRX-UHFFFAOYSA-N 328.236 2.934 5 1 EFBF C[N+]12CCc3cc4c(cc3[C@H]1Cc1ccc3c(c1C2)OCO3)OCO4 896044 GBUUKFRQPCPYPW-UJONTBEJSA-N 338.383 2.944 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cnccn1 98085659 MLXOOHRDTODLNA-QGZVFWFLSA-N 339.355 2.696 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)cc(F)c4[nH]3)nn2)c1 587270565 VQKSFUOTBVDKIN-UHFFFAOYSA-N 342.265 2.997 5 1 EFBF Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 5260133 YOCXYMXHTWRRSO-UHFFFAOYSA-N 337.313 2.612 5 1 EFBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586963586 OSECLVUGEQFVPW-SNVBAGLBSA-N 346.372 2.914 5 1 EFBF OCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 40834961 PSBRYSHOOSHIOJ-UHFFFAOYSA-N 338.471 2.916 5 1 EFBF COCCNc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1[N+](=O)[O-] 587265273 NWTIKDHUYLYCDE-UHFFFAOYSA-N 327.344 2.900 5 1 EFBF CCc1cc(-c2ccc3c(O)nc(O)nc3n2)c(OC)c([N+](=O)[O-])c1 587553710 HDRLCRVENSBKPH-UHFFFAOYSA-N 342.311 2.582 5 1 EFBF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)C2 101968031 DPLLIALERNRQER-CQSZACIVSA-N 341.319 2.850 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccc(N)cc2)o1 95602982 PYBGXTPYWBYZHE-UHFFFAOYSA-N 346.372 2.524 5 1 EFBF NCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 45495804 DEDANTMTMALIQM-UHFFFAOYSA-N 337.487 2.882 5 1 EFBF COc1cc2c(-c3cccc([N+](=O)[O-])c3)n[nH]c(=O)c2cc1OC 29545490 SEAGQXIURWLXRP-UHFFFAOYSA-N 327.296 2.516 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587434369 UCPWGESFWSGPQQ-GTNSWQLSSA-N 327.292 2.798 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@@H]([C@]1(C)CO1)CO2 5438838 MHXHBIQQHVEKNK-OVWNDWIMSA-N 340.331 2.925 5 1 EFBF biogenic C[N+]1(C)[C@@H]2CC[C@@H]1[C@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 111454804 GIQCKBPBJOZAKR-ANTGDGSKSA-N 344.475 2.987 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@H]1C[N+](=O)[O-] 587261490 CAEPXEIPEOJNNH-RTXFEEFZSA-N 338.367 2.772 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](COc1ccc([N+](=O)[O-])cc1)O2 587390933 SNFCVZUXZRLJBX-ZDUSSCGKSA-N 328.324 2.898 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587268837 LZFLUDFLCREGFZ-UHFFFAOYSA-N 349.253 2.800 5 1 EFBF CC(=O)N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 587217588 XUFLUIPVFUFANV-ZDUSSCGKSA-N 339.355 2.594 5 1 EFBF O=[N+]([O-])c1cncc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913834 QFSARZQBGOAAIT-UHFFFAOYSA-N 340.339 2.668 5 1 EFBF COc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cn1 587136722 JZDYQCQSROHDDP-UHFFFAOYSA-N 345.334 2.959 5 1 EFBF Cn1c(COc2ccc3c(c2)OCO3)nc2cc([N+](=O)[O-])ccc21 103188145 BDRKAHRUKQBXHT-UHFFFAOYSA-N 327.296 2.789 5 1 EFBF COc1ccc(C(=O)OC[C@H]2CN2c2cccc([N+](=O)[O-])c2)cc1 95568095 PCJWPHOFLFNZEH-NNJIEVJOSA-N 328.324 2.649 5 3 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)c(F)cc4[nH]3)nn2)c1 587270696 YTTYIRRCLXSSOC-UHFFFAOYSA-N 342.265 2.997 5 1 EFBF COc1ccc([C@@H](O)[C@@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587934066 AOBKWFJNJSJVDA-PSLIRLAXSA-N 328.328 2.712 5 1 EFBF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73195957 UXIXJRMKUKQIIV-HNNXBMFYSA-N 347.352 2.904 5 1 EFBF NC(=O)c1ccccc1Nc1nc(NC2CCCC2)ncc1[N+](=O)[O-] 64531875 NBHJTIPPCURISS-UHFFFAOYSA-N 342.359 2.582 5 1 EFBF CCc1cccc2c1ccc1c(NCC(=O)N(C)OC)cc(=O)oc12 53312535 XJNOJHHEOAYYLB-UHFFFAOYSA-N 340.379 2.940 5 1 EFBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])n(C)n1)CC2=O 587470895 MUGCFOIDMBCVJE-AWEZNQCLSA-N 331.328 2.693 5 1 EFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587273247 GGZJTIMZCRFEGT-SSDOTTSWSA-N 340.265 2.885 5 1 EFBF CCOC(=O)[C@@H](C)c1nc2c(Cl)c3ncccc3cc2[nH]c1=O 5884165 KQOCSYSJMNTJCU-QMMMGPOBSA-N 331.759 2.791 5 1 EFBF COc1ccccc1/C=C/C(=O)O[C@H](C)Cn1c([N+](=O)[O-])cnc1C 72176579 VSVUXSLTKHNYSN-IDVQTMNDSA-N 345.355 2.753 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(F)c2[nH]1 587274759 LRUISOJRFSRBAM-UHFFFAOYSA-N 340.112 2.773 5 1 EFBF C[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1cc([N+](=O)[O-])cn1 587875952 VZEQBCQOZZMRAF-QMMMGPOBSA-N 343.274 2.801 5 1 EFBF CCN(CC)CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 5847222 QWJQRTCEKQQSLU-UHFFFAOYSA-N 341.367 2.686 5 1 EFBF O=[N+]([O-])c1cn2c(n1)SC[C@@H](Oc1ccc(C(F)(F)F)cn1)C2 1857755576 FDELELQWDOFQOV-QMMMGPOBSA-N 346.290 2.758 5 1 EFBF CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])o1 84670300 DPUHMNSQGQZHFB-HNNXBMFYSA-N 330.340 2.678 5 1 EFBF NCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 84652094 JUFPZOUZANNGFC-UHFFFAOYSA-N 326.356 2.740 5 1 EFBF COc1cc2c(cc1O)CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)O2 28468140 PZYUGCJFBMVZGZ-AWEZNQCLSA-N 344.323 2.641 5 1 EFBF COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587938502 WQTCFTWNOSDWSV-XPTSAGLGSA-N 328.328 2.712 5 1 EFBF O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)o1 5888846 SCQCPMKKTIXRFD-UHFFFAOYSA-N 327.325 2.804 5 1 EFBF O=C(CC[C@H]1C(=O)C2CCN1CC2)c1ccc(Cl)c([N+](=O)[O-])c1 26379540 LBUFKZCWRXMQQI-ZDUSSCGKSA-N 336.775 2.874 5 1 EFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(F)c3[nH]2)cc1 586919564 AYBFARKPBHHHIQ-UHFFFAOYSA-N 335.316 2.584 5 1 EFBF CC(C)(O)CCc1c(O)ccc2oc3cc(O)cc(O)c3c(=O)c12 14819787 HBLDDRXQYPHQQU-UHFFFAOYSA-N 330.336 2.767 5 1 EFBF biogenic,in-vitro COc1ccc([S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 73162023 ZKWRDUJVZQZRNO-NRFANRHFSA-N 338.366 2.526 5 1 EFBF O=C1NN=C2C=C(c3ccc(O)cc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 299838330 QDQMUJLVINBCIW-SJLPKXTDSA-N 349.346 2.973 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587263744 ZXNKSORDKVGLSA-UHFFFAOYSA-N 343.299 2.704 5 1 EFBF N[C@H](Cc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(=O)O 587647288 FNCAWYNHFZZMLC-GFCCVEGCSA-N 325.324 2.698 5 1 EFBF COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N+]3(C)C)[C@H]1O5 34360864 SAIGBDBLZXKQLH-UAOJZALGSA-N 326.416 2.569 5 1 EFBF CN(C)C(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160094 GJMONPCTUPZNAT-UHFFFAOYSA-N 328.303 2.979 5 1 EFBF C[C@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C 5032549 VJCXDYYRMJTACP-SCRDCRAPSA-N 334.372 2.693 5 1 EFBF O=[N+]([O-])c1ccc2c(c1)C(c1cccc[n+]1[O-])=CC(CF)(CF)O2 26730986 CCZWZSJCVYQZMD-UHFFFAOYSA-N 334.278 2.730 5 1 EFBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1cccc(CO)c1 299859404 HVUGIZRCFCWDLB-UHFFFAOYSA-N 325.324 2.658 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2ccnc(Br)c2[nH]1 587269627 WWGYAKGHSWUGDJ-UHFFFAOYSA-N 349.148 2.636 5 1 EFBF C/C=C1\[C@@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 238785445 VSVUYWHJSOBUDT-MIDORFNMSA-N 338.407 2.844 5 1 EFBF O=C(Nc1cc2c(=O)oc3ccccc3c2oc1=O)c1cccnc1 1652903 LAPPAYFJPFBKNZ-UHFFFAOYSA-N 334.287 2.547 5 1 EFBF COC(=O)CNC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12 29125030 DXNNAGAHZBNOMD-UHFFFAOYSA-N 333.347 2.772 5 1 EFBF CS(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 586924936 CQRZFRZRHDVECY-UHFFFAOYSA-N 335.316 2.681 5 1 EFBF O=C(NCCN1CCCCC1)c1cc(=O)c2ccc3ccccc3c2[nH]1 40955202 CLBXXBAHNYOQRC-UHFFFAOYSA-N 349.434 2.897 5 1 EFBF CNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(Br)c2)n1 96020723 NWYWBISDLCRVDJ-UHFFFAOYSA-N 339.153 2.515 5 3 EFBF C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])[C@@](C(C)=O)(C(=O)OC)C1 37867840 WHOBVIWASJLCOS-IUYSQCCWSA-N 343.379 2.854 5 1 EFBF COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])CC2 15203652 LAYFSBDIAGEQJD-SXBLTQOBSA-N 329.396 2.685 5 1 EFBF C[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1cc([N+](=O)[O-])cn1 587277205 QNLRNTNNBLQJRA-YFKPBYRVSA-N 327.131 2.979 5 1 EFBF COc1ccc([S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 73162021 ZKWRDUJVZQZRNO-OAQYLSRUSA-N 338.366 2.526 5 1 EFBF COCCOc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1[N+](=O)[O-] 587264791 JZHDIAYMJYECER-UHFFFAOYSA-N 349.734 2.607 5 1 EFBF COc1cc2c3c(c1)O[C@](C)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434420 UYTODYVJCWQOAR-KPZWWZAWSA-N 340.335 2.848 5 1 EFBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)o1 587266216 XIEMCHHFSWDADK-UHFFFAOYSA-N 339.267 2.599 5 1 EFBF O=C1c2cccc([N+](=O)[O-])c2CN1C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1857757205 IQXMQFXCELZMIT-SKLAPFLYSA-N 328.368 2.634 5 1 EFBF Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(=O)OC(C)(C)C 28460210 HHCOCSOJNBXLEN-UHFFFAOYSA-N 348.315 2.952 5 1 EFBF COc1c(O)cc(O)c2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 1857568706 KPOGCWQHTGKMRN-UHFFFAOYSA-N 329.264 2.788 5 1 EFBF O=c1c([N+](=O)[O-])cc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1 73297106 WDXZPOHCCODMOA-UHFFFAOYSA-N 343.217 2.732 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccnc(Cl)c2[nH]1 587270421 XLWPZNGVMGWLEP-UHFFFAOYSA-N 332.703 2.911 5 1 EFBF O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 43946944 UNKCJDGKXMGEEF-UHFFFAOYSA-N 334.200 2.986 5 1 EFBF O=[N+]([O-])c1cncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040980 LDZXDELQZSCRTR-GXTWGEPZSA-N 341.396 2.812 5 1 EFBF CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCOCC2)cn1 587647335 FYUFLDAZHQKJGJ-UHFFFAOYSA-N 341.371 2.796 5 1 EFBF Cc1cnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 587090967 DQMAVBQTPGQYFA-UHFFFAOYSA-N 326.238 2.600 5 1 EFBF COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587388966 IHAMDCJUMMZHOU-AWEZNQCLSA-N 344.323 2.906 5 1 EFBF CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570561 CHUUXGCSYDHTHR-ZCFIWIBFSA-N 329.359 2.750 5 1 EFBF CCCCOC(=O)c1nc(O)c2cc3cc(O)c(OC)cc3nc2n1 26653638 POGRRLCMXPOGLD-UHFFFAOYSA-N 343.339 2.555 5 1 EFBF Cc1nc2ccccc2c2nc3n(-c4ccccc4)cnn3c(=O)c12 82155326 VXOWWSKZAVDMPD-UHFFFAOYSA-N 327.347 2.890 5 1 EFBF CSc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261945 FEVCORRCCIYWAU-DLOVCJGASA-N 333.413 2.945 5 1 EFBF COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1OC 587928238 ZCJNLEAUHLGNAY-UHFFFAOYSA-N 330.300 2.559 5 1 EFBF CC(C)(C)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2n1 587272879 CYDUKLQZKXQRDG-UHFFFAOYSA-N 328.376 2.993 5 1 EFBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1CCO[C@H]1O2 14715672 RHGQIWVTIHZRLI-ASCAZGACSA-N 326.304 2.883 5 1 EFBF endogenous,in-man COc1cc2c3c(c1)O[C@]1(Cc4cccc([N+](=O)[O-])c4C1)[C@@H](C2)C3=O 587430988 LJBQCEFETWYEJX-LIRRHRJNSA-N 337.331 2.888 5 1 EFBF O=C(NCCc1cccs1)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8829395 ZPHLMTLVXVUTHN-HNNXBMFYSA-N 345.380 2.508 5 3 EFBF COc1cc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N)c2cc1OC 73223371 ORYYJRMHBJFMHX-UHFFFAOYSA-N 341.327 2.881 5 1 EFBF CC/C=C\COC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719511 ZRJTUIUUDGMRNL-ZYDHHDLOSA-N 345.355 2.946 5 1 EFBF Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920450 RBFRKXBCVWOBHZ-UHFFFAOYSA-N 331.353 2.753 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587274778 MDPQINLGADRXPV-UHFFFAOYSA-N 349.354 2.703 5 1 EFBF COc1ccc2[nH]c3c(C(=O)NCCN)c4ccncc4c(C)c3c2c1 1772614666 FOROPWCELHCZJL-UHFFFAOYSA-N 348.406 2.875 5 1 EFBF CN(C)CCNC(=O)c1cccc2cc3cc(N(C)C)ccc3nc12 29563476 XQQRSYOLAQXZBY-UHFFFAOYSA-N 336.439 2.745 5 1 EFBF CN(C)c1ncccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587196223 URWMWTHBCKRLFU-UHFFFAOYSA-N 328.288 2.507 5 1 EFBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587230057 GNTCTJHHVICBCK-QWHCGFSZSA-N 346.387 2.508 5 1 EFBF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587938500 WQTCFTWNOSDWSV-OTYXRUKQSA-N 328.328 2.712 5 1 EFBF CNC(=O)c1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 98083398 WANFFGDPZUZDPF-UHFFFAOYSA-N 337.339 2.510 5 1 EFBF C[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275246 ALABTWMRKXIHMG-ZCFIWIBFSA-N 336.695 2.839 5 1 EFBF Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2F)c([N+](=O)[O-])n1 82157930 MNHWDMBZDKIBTA-UHFFFAOYSA-N 337.263 2.803 5 1 EFBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCO)C2 473160672 ZASJEOZWHGHBEG-CQSZACIVSA-N 334.375 2.953 5 1 EFBF O=c1nc2n(-c3ccccc3F)c3cccc(Cl)c3cc-2c(=O)[nH]1 28640850 FTZJPVACCUYPRH-UHFFFAOYSA-N 341.729 2.971 5 1 EFBF O=C(OCc1ccccc1)[C@@H]1COC(c2ccc(F)cc2[N+](=O)[O-])=N1 49050307 ADEJUWWKVDVCEO-AWEZNQCLSA-N 344.298 2.623 5 1 EFBF COc1cc2c3c(c1)O[C@](C)(c1ccncc1[N+](=O)[O-])[C@@H](C2)C3=O 587430763 BNWYKOGCVIRTBV-YVEFUNNKSA-N 326.308 2.661 5 1 EFBF COc1cc(O)c2c(=O)c3c(OC)ccc(OC)c3oc2c1OC 199509105 BKDNRUYLVCVQQH-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF COC1=N[C@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 197649 KRNGHXQYXMLRDK-YESZJQIVSA-N 338.367 2.994 5 1 EFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])ccc(O)c12 13738750 HCQCPCUPQHPGCB-UHFFFAOYSA-N 328.236 2.982 5 1 EFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])cc(O)cc12 13738753 HYNKPWQOGCZVDK-UHFFFAOYSA-N 328.236 2.982 5 1 EFBF O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2c1cccc2[N+](=O)[O-] 1857634566 WEQGSRGGNBZPOF-INIZCTEOSA-N 335.323 2.839 5 1 EFBF O=C(C1CCCCC1)N1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])o3)C[C@@H]2C1 1857757883 YJQVAZCOMHCIPE-GASCZTMLSA-N 347.415 2.658 5 1 EFBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1O 587391803 ZFFDCJWHOYFEHC-HNNXBMFYSA-N 344.323 2.906 5 1 EFBF COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)ccn1 587648530 HAUCYWJREZBNES-UHFFFAOYSA-N 327.296 2.774 5 1 EFBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587784067 DUFHSYOXUKLIMR-NEPJUHHUSA-N 338.323 2.810 5 1 EFBF COC1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 27570776 KRNGHXQYXMLRDK-BBWFWOEESA-N 338.367 2.994 5 1 EFBF COc1cc2c3c(c1)O[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587430767 BPBZRNGBDPDDRQ-HUUCEWRRSA-N 325.320 2.962 5 1 EFBF COC1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 2459134 KRNGHXQYXMLRDK-ZACQAIPSSA-N 338.367 2.994 5 1 EFBF C[C@@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F 13649213 LWOSCRJYWZGEFP-SECBINFHSA-N 346.183 2.865 5 1 EFBF COc1cc2c(cc1O)CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)O2 28468136 PZYUGCJFBMVZGZ-CQSZACIVSA-N 344.323 2.641 5 1 EFBF CN(C)CCN1C(=O)c2cccc3c2c(cc2c(O)cccc23)C1=O 26830627 TTYJHZMMSSJLMK-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF O=c1nc(O)c2nc3ccccc3n(Cc3ccc(Cl)cc3)c-2n1 261114266 IMBNHMKFEFUNEL-UHFFFAOYSA-N 338.754 2.699 5 1 EFBF CSc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261947 FEVCORRCCIYWAU-ZMLRMANQSA-N 333.413 2.945 5 1 EFBF COc1cc(-c2nc3cccc(C(=O)O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260991 OMQGQTSIZPBWHY-UHFFFAOYSA-N 343.295 2.854 5 1 EFBF C[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C 587191326 LICLVXMLIRHLRN-SSDOTTSWSA-N 327.182 2.726 5 1 EFBF COCCNc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1[N+](=O)[O-] 587262366 STZZSQFVGONXKG-UHFFFAOYSA-N 348.750 2.640 5 1 EFBF Cc1oc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1[N+](=O)[O-] 587268655 IGNJSNIAJVHJDT-UHFFFAOYSA-N 330.344 2.980 5 1 EFBF C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])[C@](C(C)=O)(C(=O)OC)C1 18163187 WHOBVIWASJLCOS-HKUYNNGSSA-N 343.379 2.854 5 1 EFBF C/C=C/COC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719555 BEVKUYCUIZIZOA-LSMGEYOZSA-N 331.328 2.556 5 1 EFBF O=C1CSC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N1 587042577 MPTRJOZMPBNORW-OAHLLOKOSA-N 335.392 2.563 5 1 EFBF O=C(OCc1ccccc1)[C@@H]1COC(c2ccc(F)c([N+](=O)[O-])c2)=N1 49054926 HVBDNTJTSIKQOG-AWEZNQCLSA-N 344.298 2.623 5 1 EFBF Cc1c(F)ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587265923 SPSYCJGUUBNERT-NSHDSACASA-N 330.319 2.867 5 1 EFBF O=C(c1cccc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O 587652880 MJDRKWPLJLAROZ-UHFFFAOYSA-N 329.699 2.647 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587268330 RQRCBHBHCLGIKF-HNNXBMFYSA-N 343.347 2.563 5 1 EFBF C[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174661 QXWGRVDFQNSTGE-MRXNPFEDSA-N 342.286 2.634 5 1 EFBF CCCC[N@@+]1(C)O[I@@](=O)(O)c2ccccc21 263614721 SCFQOGPKAHRBQK-CYBMUJFWSA-O 338.165 2.749 5 1 EFBF in-vitro COc1cc2c3c(c1)O[C@H](c1cc(O)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432693 KTTIATZCQFEYDJ-YVEFUNNKSA-N 327.292 2.798 5 1 EFBF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587069904 MFUGERGAEUZIIP-SNVBAGLBSA-N 331.763 2.805 5 1 EFBF Cc1cn2c(O)c3ccccc3nc2nc1=Nc1ccccc1C(=O)O 2356841695 MGNIKJKIZYSDMW-UHFFFAOYSA-N 346.346 2.827 5 1 EFBF Cc1cnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1 587116760 CYAUVAJOOMEYRX-UHFFFAOYSA-N 340.265 2.747 5 1 EFBF CCOC(=O)c1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 72177324 LDYJZQPTFXLREW-UHFFFAOYSA-N 339.307 2.810 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264796 TVTMQRWYTYCNFG-BWZBUEFSSA-N 341.289 2.641 5 1 EFBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1 587388806 GQLQOWQQXGOXEJ-HNNXBMFYSA-N 344.323 2.906 5 1 EFBF O=[N+]([O-])c1cccc(CCc2nc3c(S)nc(S)nc3[nH]2)c1 587269972 KEZHRQQWCRHWOH-UHFFFAOYSA-N 333.398 2.624 5 1 EFBF CS(=O)(=O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280463 XNFYHBGUMOENJP-UHFFFAOYSA-N 345.332 2.976 5 1 EFBF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587069283 HODBUGCKLBDVEN-SNVBAGLBSA-N 331.763 2.805 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3ccc4cccnc4c3nc12 5808523 GLMWMMUYBHLEFZ-UHFFFAOYSA-N 345.406 2.623 5 1 EFBF C[C@H]1[C@H]2[C@H](O)OC[C@H]3[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@@H]23)[N+]14C 238754084 YEWNQMHRNIGSPI-UADPRIFHSA-N 339.459 2.594 5 1 EFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 169322063 YINCEYBMSIPJQY-HLNWXESRSA-N 349.390 2.741 5 1 EFBF Nc1ncc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587267586 AOYBRHQFQHGKKM-UHFFFAOYSA-N 334.679 2.677 5 1 EFBF Cc1c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cccc1[N+](=O)[O-] 587262764 XMFCCLFTFUYIOM-UHFFFAOYSA-N 331.353 2.850 5 1 EFBF COc1cc(O)c2c(=O)c3c(OC)c(OC)c(OC)cc3oc2c1 238764478 BMVHDGLPVCVVQR-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF Cc1cncc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 587116702 CEFIRERCCGIFQW-UHFFFAOYSA-N 340.265 2.747 5 1 EFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(OC(F)(F)F)cc1)C2 115603395 QUMAYTSFYCTSLG-SNVBAGLBSA-N 345.233 2.530 5 1 EFBF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 587275634 FCXSYTLVUSOULB-ZETCQYMHSA-N 349.734 2.717 5 1 EFBF N=c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c[nH]1 587109467 KNFGPNKQFSROMX-UHFFFAOYSA-N 337.261 2.888 5 1 EFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCCCO3 587274882 VUMLXJDCDSASJO-JTQLQIEISA-N 343.343 2.633 5 1 EFBF Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1N1CCOCC1 587647402 GVHASAJYEUXNCS-UHFFFAOYSA-N 341.371 2.622 5 1 EFBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccccc3)C2)ccc1CO 1857766075 BWQQLSMUSJPPCM-KRWDZBQOSA-N 327.384 2.774 5 1 EFBF C[N+]1([O-])[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 15204441 VCOKKGOVVPZMFF-HUUCEWRRSA-N 339.347 2.983 5 1 EFBF O=C(NCCc1cccs1)[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 8666504 XOYHFLYMYWLMQT-HNNXBMFYSA-N 345.380 2.508 5 3 EFBF CCS(=O)(=O)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586922492 PIXPDHUTJRXKCR-UHFFFAOYSA-N 331.353 2.932 5 1 EFBF O=[N+]([O-])c1ccc(OCc2nc3ccc(CCO)cc3[nH]2)cc1F 587148201 FCPTWYHNKRIBQP-UHFFFAOYSA-N 331.303 2.724 5 1 EFBF COc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cn1 587262449 UAJIMEDERPUEJJ-UHFFFAOYSA-N 328.328 2.805 5 1 EFBF COc1c(O)ccc2c1-c1c3c(cc4c1[C@H](C2)[N+](C)([O-])CC4)OCO3 14612178 LTKUNVLMKAJDBS-SVZXGPMESA-N 341.363 2.894 5 1 EFBF O=C(Cc1cccc(Cl)c1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 473123110 KNHQISPCGZEWDN-UHFFFAOYSA-N 347.758 2.546 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3c(Cl)ccnc3[nH]2)nn1CC(F)(F)F 587091533 GCQOHCKZPBZLEI-UHFFFAOYSA-N 346.656 2.945 5 1 EFBF COc1cc2c3c(c1)O[C@](C[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O 587434042 PLXQFGYZGFFYKJ-KBXCAEBGSA-N 325.320 2.615 5 1 EFBF Cc1nn(Cc2ccccc2-c2nc3cncnc3[nH]2)c(C)c1[N+](=O)[O-] 587266877 BTSDKEMXEBQPHB-UHFFFAOYSA-N 349.354 2.790 5 1 EFBF COc1cc2c(=O)c3c(O)ccc(OC)c3oc2c(OC)c1OC 3850964 FMCKDRDZXQGMQL-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic,in-vitro O=c1c2ccccc2oc2cc(OC[C@@H]3CO3)cc(OC[C@@H]3CO3)c12 28822785 BQZYEEUSHBBBGK-OLZOCXBDSA-N 340.331 2.501 5 1 EFBF COc1ccc(/C=C/C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 72179013 VARSGERYRPDNCH-UVMWJGKXSA-N 345.355 2.753 5 1 EFBF COCCOc1ccc(-c2nc3ccc(CO)cc3[nH]2)cc1[N+](=O)[O-] 587264704 HYXIICDAMSQSHY-UHFFFAOYSA-N 343.339 2.656 5 1 EFBF O=C(N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1)c1ccccc1 28826669 RHUTZXFVSZLDKP-YJBOKZPZSA-N 342.351 2.829 5 1 EFBF COc1c(OC)c(O)c2c(=O)c3c(C)cc(O)cc3oc2c1OC 14647659 WCLGXYKABCIDCB-UHFFFAOYSA-N 332.308 2.692 5 1 EFBF biogenic COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)[C@H](O)CC2=O 85602782 SNJMOOWIGNHMOO-SNVBAGLBSA-N 326.304 2.589 5 1 EFBF COc1ccc2c(=O)c3c(OC)cc(OC)c(OC)c3oc2c1OC 14648978 DZHPOMAJVHEXQE-UHFFFAOYSA-N 346.335 2.989 5 1 EFBF biogenic N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587271011 WPMPQGCNWASEEC-LBPRGKRZSA-N 327.300 2.622 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C2)C3=O 587434504 WNSUJPSNJRGVOH-APPDUMDISA-N 327.292 2.798 5 1 EFBF COC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587391895 ZXCKGXOWSOWFNZ-GOSISDBHSA-N 342.351 2.993 5 1 EFBF O=C(NC1CCC(O)CC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3448750 FOESLFSSONSUCN-UHFFFAOYSA-N 330.340 2.888 5 3 EFBF CN1[C@@H]2c3ccccc3[C@@H]3[C@H]1[C@@H]([N+](=O)[O-])[C@H]1c4ccccc4[C@@H]2[C@@H]3N1C 195440140 UUMRZCBXYLHSJR-CZUPSRJTSA-N 347.418 2.937 5 1 EFBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(F)c(Br)n3)nc12 587155874 URJOTISZAYXYEH-UHFFFAOYSA-N 338.096 2.830 5 1 EFBF O=c1ccc2c3c4cccc(O)c4c(=O)c(O)c-3c3ccc(O)c1c3-2 13380132 MSLYUFAHRVRLKU-UHFFFAOYSA-N 330.295 2.915 5 1 EFBF biogenic CCN(CC)CCNc1ccc2nnn3c4ccc(C)cc4c(=O)c1c23 5732919 LRSSABIWZOHLGO-UHFFFAOYSA-N 349.438 2.896 5 1 EFBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1Cc1ccc([N+](=O)[O-])cc1 1857574185 MOBIMOQMAVHBOX-UHFFFAOYSA-N 346.324 2.631 5 1 EFBF C[C@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 653835001 ZWDBCOBWNDGKNY-LBPRGKRZSA-N 348.403 2.706 5 1 EFBF COc1cc2c3c(c1)O[C@@](C[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O 587434043 PLXQFGYZGFFYKJ-KSSFIOAISA-N 325.320 2.615 5 1 EFBF CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 13907155 OEXHQOGQTVQTAT-PPAWOBCPSA-N 332.464 2.854 5 1 EFBF in-vivo CN(C)CCNc1ccc([N+](=O)[O-])c2oc3ccccc3c(=O)c12 28526070 CUOSMYASYSHCJA-UHFFFAOYSA-N 327.340 2.828 5 1 EFBF CN(C)/C=C(/c1cc2c3c(cccc3n1)CC2)n1cc([N+](=O)[O-])cn1 587210791 IBCGFMAGEWJTCJ-BOPFTXTBSA-N 335.367 2.846 5 1 EFBF Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875432 NWFDVWAGTGMLSE-UHFFFAOYSA-N 343.274 2.548 5 1 EFBF O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N1 28571682 WGJXDLRNBHFDPE-AWEZNQCLSA-N 340.295 2.594 5 1 EFBF O=[N+]([O-])c1ccc2nn(Cc3ccccc3)c(OCCCO)c2c1 653708525 XGNXCPHJUUZXFF-UHFFFAOYSA-N 327.340 2.754 5 1 EFBF COc1cc(OC)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587268249 YXJAJVASXKCKTL-SECBINFHSA-N 331.332 2.603 5 1 EFBF COC(=O)c1c(SC)ccc2oc3cc(CO)cc(O)c3c(=O)c12 238786991 IHHXMZQWRDIDGK-UHFFFAOYSA-N 346.360 2.653 5 1 EFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]1CCCN12 299849927 YINCEYBMSIPJQY-FTEYMNFISA-N 349.390 2.741 5 1 EFBF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587784268 GQJIEDIMGDYFBH-STQMWFEESA-N 338.323 2.810 5 1 EFBF COc1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587930480 GUYOJYMCLHXVHT-UHFFFAOYSA-N 328.284 2.979 5 1 EFBF COc1cc(C(=O)Nc2nsc3ccc([N+](=O)[O-])cc23)ccn1 653745138 NQIOBJWCCJBWKZ-UHFFFAOYSA-N 330.325 2.860 5 1 EFBF CS(=O)(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160036 CWANLJANGIFPQP-UHFFFAOYSA-N 335.316 2.681 5 1 EFBF C[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)n1cc([N+](=O)[O-])cn1 587277542 XZZSFDKSXWCCST-LURJTMIESA-N 326.238 2.691 5 1 EFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 587266345 YTYJNNJOVCFLDQ-ZETCQYMHSA-N 343.303 2.530 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(CO)cc3[nH]2)c1 587261944 KRBXXJKSNWYSSV-UHFFFAOYSA-N 327.340 2.893 5 1 EFBF COc1cc2c(cc1O)C[C@@H]1c3cc(OC)c(O)cc3CC[N@@+]1(C)C2 2356322429 DTWYSWAVTTYGRK-IERDGZPVSA-O 342.415 2.915 5 1 EFBF Cc1oc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 587269637 XKEFAIJKQVNWMH-UHFFFAOYSA-N 333.216 2.856 5 1 EFBF COc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1OC 587267565 NIGMGBYSVVHFLW-VIFPVBQESA-N 331.332 2.603 5 1 EFBF COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CC[N+]1(C)[O-] 14557977 MMMBWFLXCHRYGD-CRIUFTBBSA-N 343.379 2.880 5 1 EFBF biogenic,in-vitro COc1ccc2c(=O)c3c(O)c(OC)c(OC)c(OC)c3oc2c1 14648834 IBYBLYYHWGTQGI-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic,in-vitro O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-] 40410452 NWFOGEPIYXJXFZ-KWBADKCTSA-N 330.768 2.861 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1ccc(C=O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434701 YTKSMYNDYXUHLX-UGSOOPFHSA-N 339.303 2.905 5 1 EFBF C[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1 587156653 OSZJLRNSVATCKT-INIZCTEOSA-N 341.302 2.796 5 1 EFBF O=[N+]([O-])c1cnc2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 587156200 ZEFWFPQXWNWOQA-UHFFFAOYSA-N 338.096 2.830 5 1 EFBF COc1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2n1 587263463 UUDSYXWIUKDORI-UHFFFAOYSA-N 328.328 2.805 5 1 EFBF O=C(O)Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12 1642493 MAKZJFIXUTYOHC-UHFFFAOYSA-N 341.275 2.701 5 1 EFBF O=C(/C=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccc(F)cc1 587166528 DJIAVQQIDGWWCH-AATRIKPKSA-N 327.275 2.657 5 1 EFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)cc(F)c2[nH]1 587266066 VDVGJWUXHKNVBF-JTQLQIEISA-N 334.282 2.697 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1ccc(C=O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434335 SYDNJJSTSOOXGZ-UGSOOPFHSA-N 339.303 2.905 5 1 EFBF CN(C)CCNc1ccc(CN)c2sc3ccccc3c(=O)c12 101483031 ZHLMWNKEIRSOPZ-UHFFFAOYSA-N 327.453 2.847 5 1 EFBF O=C(O)c1ccc([N+](=O)[O-])cc1-c1c(C(=O)O)cccc1[N+](=O)[O-] 26500101 GYMBKHHDBHVIEP-UHFFFAOYSA-N 332.224 2.566 5 1 EFBF COc1cc(O)c2c(=O)c3cc(OC)c(OC(C)=O)cc3oc2c1 14764532 PLYMOHQSBQHXTR-UHFFFAOYSA-N 330.292 2.594 5 1 EFBF biogenic COCCOc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1[N+](=O)[O-] 587265224 MRXJRVFDUWKMCZ-UHFFFAOYSA-N 344.327 2.567 5 1 EFBF Cc1cc2nc(-c3ccc(NS(C)(=O)=O)cc3)[nH]c2cc1[N+](=O)[O-] 586950183 BREQTBXDNDAXEK-UHFFFAOYSA-N 346.368 2.818 5 1 EFBF C[C@@H](CO)NC(=O)c1ccc2oc3cc(Cl)ccc3c(=O)c2c1 40892787 HNEZQEKGZXZFAH-VIFPVBQESA-N 331.755 2.710 5 1 EFBF O=[N+]([O-])c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587118640 PLSNHORAGGKLOP-UHFFFAOYSA-N 325.250 2.929 5 1 EFBF Nc1cc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c2cccnc12 29480657 NKMXAKWLQCPQHB-UHFFFAOYSA-N 329.337 2.558 5 1 EFBF O=C(CCn1cc([N+](=O)[O-])cn1)n1nc2cc1Oc1ccc(F)cc1-2 587876085 YPUSOKVTXVNXRP-UHFFFAOYSA-N 343.274 2.630 5 1 EFBF Nc1nc(-c2ccco2)c2cnn(Cc3ccc([N+](=O)[O-])cc3)c2n1 29046777 WGTBXNXJZFFWIV-UHFFFAOYSA-N 336.311 2.625 5 1 EFBF COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc([N+](=O)[O-])c1 101580766 PENVKWWXDLNRLA-XSUJLISDSA-N 346.383 2.936 5 1 EFBF COC(=O)c1cc(OC)c2c(=O)c3c(C(=O)OC)cccc3oc2c1 142082739 HDHWXNWXFRRTAE-UHFFFAOYSA-N 342.303 2.528 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1C(=O)O)O2 587389237 KBOVFSBLTHBDQY-HNNXBMFYSA-N 342.307 2.890 5 1 EFBF COc1cncc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12 587136881 KNBGNWPSDLWKIG-UHFFFAOYSA-N 345.334 2.959 5 1 EFBF COc1c(N)c2c3c(cc4ccccc4c3c1OC)N(C)C(=O)C2=O 198734984 DECOIJXMXXMADL-UHFFFAOYSA-N 336.347 2.752 5 1 EFBF Cc1ccnc2c1CCN[C@@]21COc2cc([N+](=O)[O-])ccc2SC1 963078019 VZRAAHILMGSASR-QGZVFWFLSA-N 343.408 2.824 5 1 EFBF CN(C)CCCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 5723870 JLQSQGCFCWZQSG-UHFFFAOYSA-N 336.395 2.508 5 1 EFBF Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)cc(C)c1O 1857575149 RGCFXMFPJABBNI-UHFFFAOYSA-N 325.324 2.831 5 1 EFBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC1CCC1 169719505 DBIWCFCKRSFDLV-KBPBESRZSA-N 331.328 2.532 5 1 EFBF O=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3O)o2)S1 35962268 LHLYMMBFSIKWMS-WDZFZDKYSA-N 332.293 2.884 5 1 EFBF COC(=O)c1cccnc1-c1nccc2c1c(=O)[nH]c1ccccc12 14718241 QTEMOSHKMIGNSF-UHFFFAOYSA-N 331.331 2.925 5 1 EFBF biogenic COc1cc2c3c(c1)O[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434118 RLKYEBDCGSIWOU-APPDUMDISA-N 327.292 2.798 5 1 EFBF C[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 587276853 OEQJUQNUEJHPNK-LURJTMIESA-N 326.238 2.691 5 1 EFBF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587069902 MFUGERGAEUZIIP-JTQLQIEISA-N 331.763 2.805 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(C(=O)O)cc2[nH]1 587269785 PYTNGXXNWODRIM-UHFFFAOYSA-N 341.279 2.561 5 1 EFBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2)CC1 5049644 YAJPGTFQZOVDPT-UHFFFAOYSA-N 340.383 2.599 5 3 EFBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccc3ccccc23)cc1 103279465 CPLCAXMQQYCQNV-UHFFFAOYSA-N 329.337 2.944 5 1 EFBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1 587225462 REPPXYBQSIMDNO-LLVKDONJSA-N 340.339 2.555 5 1 EFBF CN1[C@H]2[C@H]3c4ccccc4[C@@H]1[C@@H]1c4ccccc4[C@@H]([C@H]2[N+](=O)[O-])N(C)[C@H]31 253989108 UUMRZCBXYLHSJR-QGVNFLHTSA-N 347.418 2.937 5 3 EFBF COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587938499 WQTCFTWNOSDWSV-LKFCYVNXSA-N 328.328 2.712 5 1 EFBF Cc1c(-c2nc3cnncc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979716 IOQFONGHIIKTSF-UHFFFAOYSA-N 334.133 2.999 5 1 EFBF C[C@]1(O)C[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H](c2ccccc2N)O1 6625716 LKHOCMXAJQUWQO-LAVFITLUSA-N 328.368 2.868 5 1 EFBF biogenic Cc1cc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2cc1[N+](=O)[O-] 587250355 SJFOVQVCVTZZLD-UHFFFAOYSA-N 326.312 2.651 5 1 EFBF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2cccc([N+](=O)[O-])c12 587647314 FTRJPQKYCXDDQK-UHFFFAOYSA-N 328.328 2.962 5 1 EFBF COc1cc2c(=O)n(C)c3c4ccccc4[nH]c(=O)c3c2cc1OC 66251772 DCZYUXGMUCXBMG-UHFFFAOYSA-N 336.347 2.550 5 1 EFBF Cc1cc(OCC(=O)Nc2ccc3c(c2)COC3=O)ccc1[N+](=O)[O-] 1857763665 ZWINVMYLJOXELF-UHFFFAOYSA-N 342.307 2.591 5 1 EFBF COC(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270556 NHLSNQLOBBMUDG-ZDUSSCGKSA-N 340.339 2.500 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@@H]1[C@@H]1O[C@@H]1C2 17214311 JDULDANUKPNHRN-WBFOWJMUSA-N 349.299 2.617 5 1 EFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cnnc(O)c2[nH]1 587110073 RNTDNSYZDUNHHB-UHFFFAOYSA-N 339.233 2.576 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261485 CAEPXEIPEOJNNH-KGYLQXTDSA-N 338.367 2.772 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1ncc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587433126 OIZVXRPVCFRDAN-KPZWWZAWSA-N 340.335 2.970 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccccc2N)o1 95601213 HPUDTIPPXXPFDW-UHFFFAOYSA-N 346.372 2.524 5 1 EFBF COCCNc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1[N+](=O)[O-] 587265220 MRCDWCSIWPRKSD-UHFFFAOYSA-N 343.343 2.600 5 1 EFBF Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 3923352 ODUYIJQNFGQGOG-UHFFFAOYSA-N 338.371 2.824 5 1 EFBF O=c1c2ccc(Cl)cc2ncn1CCCCn1cnc([N+](=O)[O-])c1 473124131 WFRDMHOMLRUMDO-UHFFFAOYSA-N 347.762 2.635 5 1 EFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587270526 LUWTVWWCSBELCH-LBPRGKRZSA-N 344.302 2.551 5 1 EFBF C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])[C@@](C(C)=O)(C(=O)OC)C1 18067086 WHOBVIWASJLCOS-PKOBYXMFSA-N 343.379 2.854 5 1 EFBF CN(C)CCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12 27978421 HQVCYEVLCMIFBP-UHFFFAOYSA-N 328.803 2.728 5 1 EFBF Cc1nn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1[N+](=O)[O-] 587650867 VYPYONYTEHAXKF-UHFFFAOYSA-N 348.384 2.591 5 1 EFBF Cc1cc2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2cc1[N+](=O)[O-] 587249358 JFAKUWXOFJMHIC-UHFFFAOYSA-N 326.312 2.656 5 1 EFBF CCOC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587273665 JUTHUAGIYNGYIL-SNVBAGLBSA-N 343.343 2.648 5 1 EFBF O=[N+]([O-])c1ccccc1C[C@H]1CCc2cc3c(O)nc(O)nc3nc21 587555794 SGDBIWKCRDWRJD-SNVBAGLBSA-N 338.323 2.617 5 1 EFBF CN(C)CCN1C(=O)c2cccc3c(N)c4ccccc4c(c23)C1=O 29348027 BVJYKGQPRKCYMA-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF CCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139015664 GBYNUBATBYWGFH-DEOSSOPVSA-N 346.360 2.781 5 1 EFBF Cc1cc2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c(C)n1 587268769 DTMSOCWBUNMRDT-UHFFFAOYSA-N 326.312 2.874 5 1 EFBF COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 587269433 BYZCQSFLNRSVPV-LBPRGKRZSA-N 330.319 2.861 5 1 EFBF CC(C)(C)NC(=O)COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 66259520 WXBJZKMXMDBSPR-UHFFFAOYSA-N 346.339 2.926 5 1 EFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(O)cc2[nH]1 587118399 PPPRXYSDYAOMNU-UHFFFAOYSA-N 341.249 2.749 5 1 EFBF Cc1cc2c(O)nc(O)nc2nc1CSc1ccccc1[N+](=O)[O-] 587562735 JQQOSBDEOJXXJL-UHFFFAOYSA-N 344.352 2.945 5 1 EFBF CC/C=C/COC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719566 ZRJTUIUUDGMRNL-WFVIONGDSA-N 345.355 2.946 5 1 EFBF CCCc1sc(=N)[nH]c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587013400 OBSKLRXMWOEQJF-UHFFFAOYSA-N 348.344 2.868 5 1 EFBF O=c1cc(N(CCO)Cc2ccccc2)nc2c3ccccc3ccn12 13608199 FDZGJUPHRICSJS-UHFFFAOYSA-N 345.402 2.847 5 1 EFBF COc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)cc1Cl 66078452 RDMQLXJTRCMDKA-JTQLQIEISA-N 332.143 2.840 5 1 EFBF N[C@H](Cc1cc(-c2ccc(O)cc2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857763429 FZGVWBSNWQPMPS-GFCCVEGCSA-N 336.731 2.575 5 1 EFBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])nn1C)CC2=O 587469318 COZFWXDYQDEONJ-CQSZACIVSA-N 331.328 2.693 5 1 EFBF C[C@@H](Cc1ccccc1)N(C)Cc1nc([C@@H]2CC[C@@H]([N+](=O)[O-])O2)no1 16958543 JXNOGAWCEGEVMX-NOLJZWGESA-N 346.387 2.587 5 1 EFBF O=[N+]([O-])c1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 28239692 RESIHVZCDHJATD-RDJZCZTQSA-N 349.387 2.986 5 1 EFBF CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 587388675 GCIDTYUNJCEPFQ-GOSISDBHSA-N 340.335 2.935 5 1 EFBF Cn1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1O 587155368 KPRBRBYQNYAKLF-UHFFFAOYSA-N 334.314 2.905 5 1 EFBF CCc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)cc1 263592278 QNGPKMRINVMJDW-UHFFFAOYSA-N 325.328 2.614 5 3 EFBF CC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc2c(O)nc(O)nc2n1 587552652 BGYVDKCOUQTHSC-UHFFFAOYSA-N 326.312 2.670 5 1 EFBF CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 587649665 WFMUGGOFVIAQAA-UHFFFAOYSA-N 339.307 2.884 5 1 EFBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])CC2 15203648 LAYFSBDIAGEQJD-YMNQCSKTSA-N 329.396 2.685 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3ccc4ccncc4c3nc12 27858325 UCRPUMRIVOVBSH-UHFFFAOYSA-N 345.406 2.623 5 1 EFBF NC1CC(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1 587255035 BWWXLUOFPJKMAB-UHFFFAOYSA-N 325.166 2.513 5 1 EFBF CC(C)CNC(=O)CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82192077 FLQZRLLLMWPOGP-UHFFFAOYSA-N 334.401 2.902 5 1 EFBF CN(C)CCN1C(=O)c2c(N)ccc3cc4ccccc4c(c23)C1=O 27557955 DVQWTHIYRCEPTP-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccnc1 587649097 PTRCPGJDSXFEAF-UHFFFAOYSA-N 339.307 2.879 5 1 EFBF COc1c(O)ccc2c1C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4 13382871 UTUGYZCGZXJEHE-BJQOMGFOSA-O 340.399 2.930 5 1 EFBF COc1cc2c(cc1O)C[C@@H]1c3cc(OC)c(O)cc3CC[N+]1(C)C2 238768100 DTWYSWAVTTYGRK-UJONTBEJSA-O 342.415 2.915 5 1 EFBF Cc1cc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1[N+](=O)[O-] 587272831 AWGIQSRAROWSQR-SECBINFHSA-N 330.304 2.688 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4cc(N)ccc4c(c23)C1=O 27556565 SSVDSGCXTCHMHE-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF CNCCN1C(=O)c2ccc(OC)c3cc4ccccc4c(c23)C1=O 29388481 SICDVFQIGZIXSO-UHFFFAOYSA-N 334.375 2.817 5 1 EFBF Cc1cc(F)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 586919808 HUNLBDZSRCSTGG-UHFFFAOYSA-N 349.343 2.893 5 1 EFBF CCc1cc(NCc2nc3c([N+](=O)[O-])cccc3o2)c(=O)[nH]c1C 5887363 LROBJZBSTFWEFX-UHFFFAOYSA-N 328.328 2.907 5 1 EFBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(O)ncnc4[nH]3)c2)c1 587268813 BCRYWTXSWVEZEO-UHFFFAOYSA-N 334.295 2.696 5 1 EFBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1OC 587269169 RGGAGEYDLUCOCY-UHFFFAOYSA-N 331.284 2.835 5 1 EFBF Cn1c2ccccc2c(=O)c2c(=O)n(CCCc3ccccc3)cnc21 203467077 IPFPPQWHWGDTLN-UHFFFAOYSA-N 345.402 2.881 5 3 EFBF COc1ccc(-n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 587652404 DGCJJKOEAHJYAS-UHFFFAOYSA-N 331.715 2.956 5 1 EFBF Nc1cncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587253583 CYICTNLYHZGGSD-UHFFFAOYSA-N 334.133 2.878 5 1 EFBF Cc1nn2c(=O)c([N+](=O)[O-])c(/C=C/c3ccc(F)cc3)nc2s1 6494206 MKUQGFSCXMUTBF-QPJJXVBHSA-N 332.316 2.677 5 1 EFBF CC/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 36185117 MTHRWTWLVGUAJO-MBVDDHJVSA-N 345.355 2.732 5 1 EFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]1CCCN12 299849928 YINCEYBMSIPJQY-SOAMZJECSA-N 349.390 2.741 5 1 EFBF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc([N+](=O)[O-])c3[nH]1)C2 587245975 BQIXRKCJPLVOLJ-GOSISDBHSA-N 338.367 2.823 5 1 EFBF O=[N+]([O-])c1cnc(/C=C/c2cccc(Br)c2)n1CCO 103255972 UJODKFCAWXQTMA-SNAWJCMRSA-N 338.161 2.717 5 1 EFBF COc1cc(OCc2nc3ccc(CCO)cc3[nH]2)ccc1[N+](=O)[O-] 587263446 UOBQNLQWGLORDZ-UHFFFAOYSA-N 343.339 2.594 5 1 EFBF COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c(OC)c([N+](=O)[O-])c1 587260775 DVXBTYZONWMEPC-UHFFFAOYSA-N 343.295 2.884 5 1 EFBF C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])[C@](C(C)=O)(C(=O)OC)C1 38140842 WHOBVIWASJLCOS-MJTSJRRZSA-N 343.379 2.854 5 1 EFBF Nc1cc2nc3cc(C(=O)c4ccc(O)cc4)cc(O)c3oc-2cc1=O 13346803 CKUOMYVLVOKBJH-UHFFFAOYSA-N 348.314 2.517 5 1 EFBF biogenic C[C@@]1(c2ccc(C(=O)O)cc2)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 1857550105 MYYXTEXOBKXBGS-OAHLLOKOSA-O 330.276 2.786 5 1 EFBF CN(C)CCNC(=O)c1cccc2[nH]c3c4ccccc4nc-3nc12 100794638 DNFRGLHKCJRQKR-UHFFFAOYSA-N 333.395 2.507 5 1 EFBF CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)N(C)C)cc1[N+](=O)[O-] 5499312 ZCCOQPMTSNHWQW-UHFFFAOYSA-N 338.364 2.831 5 1 EFBF O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1cccc(Cl)c1 27713452 XRTIKZLTQWRXFS-UHFFFAOYSA-N 343.726 2.728 5 1 EFBF C[C@@H](Cc1ccccc1[N+](=O)[O-])c1ccc2c(O)nc(O)nc2n1 587553311 GIFCZIXEPRJTFH-VIFPVBQESA-N 326.312 2.690 5 1 EFBF CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc12 49037340 JGRPAFSZLOVSPS-UHFFFAOYSA-N 344.348 2.989 5 1 EFBF O=C1CN(CCCCCN2CCCC2)c2ccc([N+](=O)[O-])cc2N1 103262731 HIRAHRPFIQRIQB-UHFFFAOYSA-N 332.404 2.619 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Cl)ncnc3[nH]2)c1 587262392 REPQAZYNIXNVSQ-UHFFFAOYSA-N 333.735 2.844 5 1 EFBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnnc(O)c4[nH]3)c2)c1 587270387 NGRKECJFETVDHC-UHFFFAOYSA-N 334.295 2.696 5 1 EFBF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 587648751 KQHKMYFPSJJIDZ-UHFFFAOYSA-N 339.307 2.884 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 587165469 WIHPSWGHADPDND-UHFFFAOYSA-N 338.302 2.917 5 1 EFBF CCO[C@H](OC(C)=O)[C@@H]1C=C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)O1 5809598 IJHIEEIWVFVNRK-KNXALSJPSA-N 336.344 2.585 5 1 EFBF O=[N+]([O-])c1ccc2c(cnn2S(=O)(=O)c2ccc(Cl)cc2)c1 1857638179 ZYKNEDVWRFISSA-UHFFFAOYSA-N 337.744 2.835 5 1 EFBF CN1[C@H]2c3ccccc3[C@H]3[C@H]1[C@H]1c4ccccc4[C@@H]3N(C)[C@H]1[C@@H]2[N+](=O)[O-] 104231524 UUMRZCBXYLHSJR-AIGJGIFASA-N 347.418 2.937 5 1 EFBF O=[N+]([O-])c1ncn(CCCNc2ccnc3cc(Cl)ccc23)n1 73166653 VVPCMUZWDFSCBQ-UHFFFAOYSA-N 332.751 2.890 5 1 EFBF Cc1ccc(N2C(=O)CS[C@H]2C2=CCCN(C)C2)c([N+](=O)[O-])c1 45301078 CPGGZLPXALXTDJ-INIZCTEOSA-N 333.413 2.571 5 1 EFBF CCCc1c(O)ccc2c1O[C@@](C)(Cn1cc([N+](=O)[O-])cn1)CC2=O 587472248 ZGOZKDFRESXXNS-QGZVFWFLSA-N 345.355 2.874 5 1 EFBF C[C@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)F 13649219 DRBBFWIVYZXQEX-SNVBAGLBSA-N 328.193 2.568 5 1 EFBF C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCCC1 73163701 NVSYZLKDFATHHJ-FQEVSTJZSA-N 331.480 2.780 5 1 EFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(OC(F)(F)F)cc1)C2 72122777 IXUWKDINJWESQG-JTQLQIEISA-N 345.233 2.530 5 1 EFBF O=C(CCCCCCC(=O)NCc1ccc2ccccc2n1)NO 473086693 CJJZZZNXLRPEPX-UHFFFAOYSA-N 329.400 2.697 5 1 EFBF O=C(O)c1ccccc1-c1nccn1C(=O)c1ccc([N+](=O)[O-])cc1 43014176 GIIWJUGTHINJEX-UHFFFAOYSA-N 337.291 2.845 5 1 EFBF C/C=C1/C[N+]2([O-])CC[C@@]34C[C@@H]2[C@@H]1C(C(=O)OC)=C3Nc1ccccc14 238766577 OBTCSDABKXJOMO-JPOAMXAKSA-N 338.407 2.844 5 1 EFBF C[C@@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 653835000 ZWDBCOBWNDGKNY-GFCCVEGCSA-N 348.403 2.706 5 1 EFBF CN1[C@@H]2[C@@H]3c4ccccc4[C@@H]4[C@@H]2c2ccccc2[C@H]1[C@H]([N+](=O)[O-])[C@H]3N4C 253989111 UUMRZCBXYLHSJR-YQUGOWONSA-N 347.418 2.937 5 3 EFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC[C@@H](C)C1 84727156 YDUWXICTHQCFHQ-SNVBAGLBSA-N 328.463 2.850 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@@H]1O[C@@H]1C2 254076615 JDULDANUKPNHRN-RLJBGXMOSA-N 349.299 2.617 5 1 EFBF CC(C)(O)CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O 14819757 MPDJBCWZYDZMCW-UHFFFAOYSA-N 330.336 2.767 5 1 EFBF biogenic,in-vitro COc1ccc(OC)c(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 98083616 WYYMCCVNBFSNCD-UHFFFAOYSA-N 346.350 2.838 5 1 EFBF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C[N+](=O)[O-])[C@@H](C2)C3=O 587432364 JQYPNBAHJBXKBI-HNAYVOBHSA-N 339.347 2.701 5 1 EFBF O=[N+]([O-])c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 13582573 RVBOIHXTZQGXRV-UHFFFAOYSA-N 333.311 2.838 5 1 EFBF CCOC(=O)/C=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C 26716451 UETWBTLYMOIPFP-CMDGGOBGSA-N 328.324 2.741 5 1 EFBF O=C(NCCc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 587228621 UVAWKEAGSCZCEF-UHFFFAOYSA-N 340.339 2.940 5 1 EFBF CN(C)CCn1[nH]c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32 27527007 FXMYOEVXLQROHQ-UHFFFAOYSA-N 339.355 2.846 5 1 EFBF O=C1CSc2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cc2N1 587044219 SBOSMPVJBYIIAQ-UHFFFAOYSA-N 327.325 2.577 5 1 EFBF N=c1cc2c3cc(N)c(O)c4c(O)ccc(c5ccc(O)c(c1=O)c52)c43 13650841 TUEAJIPJSYQTLE-UHFFFAOYSA-N 344.326 2.714 5 1 EFBF O=C(Cn1cc2cccc([N+](=O)[O-])c2n1)c1ccc([N+](=O)[O-])cc1 73198398 OETAMAZZMZPGRB-UHFFFAOYSA-N 326.268 2.736 5 1 EFBF C[C@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@@H]4C[C@H]2[C@H]1[C@@H](O)[N@+]43C 299824636 LMYDARNIDZIMKO-LSKDAVIRSA-N 339.459 2.594 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1ccc(C=O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434330 SYDNJJSTSOOXGZ-SCLBCKFNSA-N 339.303 2.905 5 1 EFBF Nc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1N 587270425 XMZLQXIXQRPNOQ-UHFFFAOYSA-N 338.371 2.903 5 1 EFBF CNCC[C@@H](Nc1ccc([N+](=O)[O-])c2nonc12)c1ccccc1 13799657 JGGCAEGOUNTQKJ-GFCCVEGCSA-N 327.344 2.894 5 1 EFBF CCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 28569879 FGNXSWALRFAEHC-UHFFFAOYSA-N 329.359 2.752 5 1 EFBF O=[N+]([O-])c1cnc(/C=C/c2ccccc2Br)n1CCO 103255994 ZGQOKISCJJCCLR-AATRIKPKSA-N 338.161 2.717 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587267584 ALMWLYGZUARTKM-UHFFFAOYSA-N 348.294 2.887 5 1 EFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587273241 GGODJRHCDAWIDL-SSDOTTSWSA-N 340.265 2.885 5 1 EFBF CN(c1ccc([N+](=O)[O-])cc1OCC1CCCCC1)S(C)(=O)=O 13682013 UAAAPHNKXUCAHZ-UHFFFAOYSA-N 342.417 2.950 5 1 EFBF COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1C 587265081 SFRUUFBUZBQYHY-NSHDSACASA-N 342.355 2.736 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)nc2[nH]1 587268619 HDRMSFFSEQGFFP-UHFFFAOYSA-N 349.148 2.636 5 1 EFBF Cc1ccc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1772620124 CYWUJNVNOBDVFD-UHFFFAOYSA-N 340.299 2.513 5 1 EFBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1CO 299855889 BVJGNDZMKADVPL-UHFFFAOYSA-N 325.324 2.658 5 1 EFBF CCOC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587273661 JUTHUAGIYNGYIL-JTQLQIEISA-N 343.343 2.648 5 1 EFBF CCOC(=O)C[C@@H](C)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160217 XMJYKJNGHTYRMQ-LLVKDONJSA-N 330.344 2.805 5 1 EFBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] 586902513 LFIKPCYKWDAHGC-BMIGLBTASA-N 340.295 2.948 5 1 EFBF C/C=C1\C[N+]2([O-])CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 211067478 GCPMRXAJJNYYIV-UUERERGZSA-N 338.407 2.844 5 1 EFBF O=C(O)Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 299819990 CYMROBRKOJVEHN-UHFFFAOYSA-N 331.309 2.909 5 1 EFBF COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)ccn1 587648224 ABWRYLSOAIZTMU-UHFFFAOYSA-N 327.296 2.774 5 1 EFBF C[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C 587191605 NDOCJCJTWHSAIR-SSDOTTSWSA-N 327.182 2.726 5 1 EFBF CN(C)CCOc1nn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 84671541 VWBCEEITIKWVPK-UHFFFAOYSA-N 340.383 2.933 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])ccc1N)O2 587391663 WVDBXTVSXISUCX-KRWDZBQOSA-N 327.340 2.948 5 1 EFBF COC(=O)Cc1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587783442 RFMOJDAJZACFGL-UHFFFAOYSA-N 329.287 2.993 5 1 EFBF CN1[C@@H]2[C@@H]3c4ccccc4[C@@H]4[C@@H]2c2ccccc2[C@@H]1[C@H]([N+](=O)[O-])[C@@H]3N4C 13146935 UUMRZCBXYLHSJR-CDPKGHFDSA-N 347.418 2.937 5 1 EFBF CC1(C)OC(=O)C(c2nc3cc4nc5ccccc5nc4cc3[nH]2)=C1N 587255190 HURQESXOGZXOFB-UHFFFAOYSA-N 345.362 2.665 5 1 EFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)c(F)c(F)c2[nH]1 587275006 ZGAXQKILKDRWCA-ZCFIWIBFSA-N 325.250 2.889 5 1 EFBF CCNC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1 95594343 SLDBBILRQYIYLA-UHFFFAOYSA-N 337.357 2.814 5 1 EFBF CCO/N=c1\[nH]c2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)O 27638706 MJGVHYQWBPYPBI-UHFFFAOYSA-N 342.351 2.948 5 1 EFBF O=C(C(=O)N1Cc2ccccc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 26390877 ICPUZMYZXPOOOK-UHFFFAOYSA-N 335.319 2.801 5 1 EFBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O 587390058 PCTHOIWBCUWSLT-CQSZACIVSA-N 344.323 2.906 5 1 EFBF Nc1ncccc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587254517 KXNPNKUIHSYWEH-UHFFFAOYSA-N 348.160 2.802 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430817 BWMZRSJPDURAOV-APPDUMDISA-N 326.308 2.674 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@]1(C)CO1)O2 14682374 BBNDPXOGORGETN-IFXJQAMLSA-N 340.331 2.753 5 1 EFBF biogenic O=C(Cc1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O 587653436 WGENRWWQCFBGRW-UHFFFAOYSA-N 343.726 2.841 5 1 EFBF O=C(CN1CCCCC1)Nc1cnc2c(c1)nc(O)c1ccccc12 13524033 SCZSIXGKCNCNDL-UHFFFAOYSA-N 336.395 2.913 5 1 EFBF CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1[N+](=O)[O-] 1857746239 BBLPZAGINNLZHE-UHFFFAOYSA-N 335.341 2.826 5 1 EFBF O=C(c1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O 587652863 LNGZZVMSGMSUMB-UHFFFAOYSA-N 329.699 2.647 5 1 EFBF NC(=O)c1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2)c1 96923068 GENWIXUEGSKPSM-UHFFFAOYSA-N 330.340 2.932 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 587091590 MHJRXJYVFPPEFG-UHFFFAOYSA-N 339.233 2.869 5 1 EFBF CC/C=C/COC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719563 ZRJTUIUUDGMRNL-DPOFCPOHSA-N 345.355 2.946 5 1 EFBF CS(=O)(=O)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587280322 SNYXRIHQESWREV-UHFFFAOYSA-N 345.332 2.976 5 1 EFBF CCS(=O)(=O)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586922708 RKEMUHPEXADAFX-UHFFFAOYSA-N 331.353 2.932 5 1 EFBF O=C(CN1CCCCC1)Nc1ccc2nc(O)c3ccccc3c2n1 13524028 PJPHOHZVHAHBCW-UHFFFAOYSA-N 336.395 2.913 5 1 EFBF COc1cc2ncnc(NCCCCCCC(=O)NO)c2cc1OC 206981079 UJWASBZOAUOKIL-UHFFFAOYSA-N 348.403 2.515 5 1 EFBF Nc1cncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587253990 JLNNOFJBBZSDEA-UHFFFAOYSA-N 334.133 2.878 5 1 EFBF C[C@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 587022757 WZJRYEUHVSJYSU-YFKPBYRVSA-N 335.301 2.556 5 1 EFBF CC1(C)C=Cc2c(c(O)c3oc4c(O)ccc(O)c4c(=O)c3c2O)O1 1857638950 IOYOXUCUXIBEAC-UHFFFAOYSA-N 342.303 2.953 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264439 RPSSFXOZJRDSAQ-RAIGVLPGSA-N 338.367 2.772 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)ncc3[nH]2)nn1CC(F)(F)F 587092548 RJQBZJFDYPXRPN-UHFFFAOYSA-N 346.656 2.945 5 1 EFBF O=CN1CCc2cc3c(c4c2c1cc1ccc2c(c14)OCO2)OCO3 14618845 PUYUAWYAHPMAMP-UHFFFAOYSA-N 335.315 2.969 5 1 EFBF biogenic COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432341 JNGVVJUYMWCEHZ-KPZWWZAWSA-N 341.319 2.972 5 1 EFBF Nc1ncc(-c2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587267954 JXTGKCOFFMDFIL-UHFFFAOYSA-N 334.133 2.878 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@@H]([C@@]1(C)CO1)CO2 5438836 MHXHBIQQHVEKNK-APBUJDDRSA-N 340.331 2.925 5 1 EFBF biogenic COc1cc2c(=O)oc3cc(C)cc(O)c3c(=O)c2c(OC)c1Cl 13386199 TXUWULUCPSXNDT-UHFFFAOYSA-N 348.738 2.991 5 1 EFBF biogenic N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnc3ccccc3c2[nH]1 587264367 MGGGVKJXCMKEJT-LBPRGKRZSA-N 349.350 2.967 5 1 EFBF O=[N+]([O-])c1ccc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 28239703 RESIHVZCDHJATD-WBVHZDCISA-N 349.387 2.986 5 1 EFBF O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 261130715 LCBPOSVOPCDBGG-JOCQHMNTSA-N 329.360 2.844 5 1 EFBF O=C(CCn1cnc([N+](=O)[O-])n1)Nc1cccc(-c2ccccc2)c1 1857640483 YEEFPRCQKDGXGY-UHFFFAOYSA-N 337.339 2.882 5 1 EFBF O=C(O)CCc1c(C(=O)O)n(CC2CC2)c2c([N+](=O)[O-])cccc12 299868500 ROEUAZRUVZKMQK-UHFFFAOYSA-N 332.312 2.675 5 1 EFBF O=C(O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148184 DVEFTPUDZUVIPI-UHFFFAOYSA-N 331.259 2.887 5 1 EFBF Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc12 587262747 HUQAHEMKWXHUKU-HGNGGELXSA-N 336.779 2.580 5 1 EFBF CN1[C@H]2c3ccccc3[C@@H]3[C@H]4c5ccccc5[C@@H]([C@H]31)[C@@H]([C@@H]2[N+](=O)[O-])N4C 253989110 UUMRZCBXYLHSJR-QYYVTAPASA-N 347.418 2.937 5 3 EFBF COc1c(OC)c(OC)c2c(=O)c3c(OC)cccc3oc2c1OC 14648855 WXPNLZHAFOZREA-UHFFFAOYSA-N 346.335 2.989 5 1 EFBF biogenic O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1CO 1857766076 BWQQLSMUSJPPCM-QGZVFWFLSA-N 327.384 2.774 5 1 EFBF Cc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3nnn2c31 100852925 JAIMMYCQECJYMO-UHFFFAOYSA-N 335.411 2.506 5 1 EFBF Cn1c2ccccc2c(=O)c2c(O)cc(O)c(C=CC(C)(C)O)c21 2356653307 APGMOMIVXYRQES-UHFFFAOYSA-N 325.364 2.887 5 1 EFBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1 587225671 REPPXYBQSIMDNO-NSHDSACASA-N 340.339 2.555 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(O)cc1O)O2 587391732 XWLRIWIAYAXCHT-OAHLLOKOSA-N 330.296 2.603 5 1 EFBF CC[C@H]1[C@@H]2CC[N+]3([O-])CC[C@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 14824487 YNCJDBRZKNLHIH-LINCVASOSA-N 340.423 2.924 5 1 EFBF COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)c(OC)c([N+](=O)[O-])c1 587260888 KONJMCYPDWWNMQ-UHFFFAOYSA-N 335.707 2.550 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)[C@H]([C@]1(C)CO1)CO2 5438834 MHXHBIQQHVEKNK-DGIBIBHMSA-N 340.331 2.925 5 1 EFBF biogenic COc1c(O)ccc([C@H]2NCCc3cc(C)c(F)cc32)c1[N+](=O)[O-] 962141375 BYMUXTBUBKALFR-OAHLLOKOSA-N 332.331 2.992 5 1 EFBF CCn1c2nc(-c3ccccc3)nc(=O)c-2[n+]([O-])c2cc(C)ccc21 101424614 MYNUZVPSTJRATI-UHFFFAOYSA-N 332.363 2.525 5 1 EFBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccccc3F)C2)ccc1CO 1857652868 ZSVZPNUPGUGYID-INIZCTEOSA-N 345.374 2.913 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)O2 587390971 TWBLQBRLTKGANY-CQSZACIVSA-N 342.307 2.921 5 1 EFBF O=C(C1CCCCC1)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])o3)C[C@@H]2C1 1857757885 YJQVAZCOMHCIPE-HUUCEWRRSA-N 347.415 2.658 5 1 EFBF CN1C(=O)CN(CCCCCN2CCCC2)c2ccc([N+](=O)[O-])cc21 103262745 SXUQKETWEYPOEP-UHFFFAOYSA-N 346.431 2.644 5 1 EFBF COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 587269955 GNNDIVQROMFGAK-ZDUSSCGKSA-N 342.355 2.731 5 1 EFBF COc1cc(-c2nc3ccc(OC)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261111 UKSOVSYKKMGYHI-UHFFFAOYSA-N 330.300 2.559 5 1 EFBF COc1cc2c3c(c1)oc(=O)c1c(O)c(OC)c(OC)c(c13)CC2 238770297 BAPDHAOTAZJLRM-UHFFFAOYSA-N 328.320 2.776 5 1 EFBF CN(C)CCN1C(=O)c2cccc3c2c(cc2cccc(O)c23)C1=O 26831195 XBPGFTUHTBOUDQ-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF Cc1c(-c2nc3c(N)ncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979551 FVBDSAFHYADIRY-UHFFFAOYSA-N 349.148 2.581 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@H]1O[C@@H]1C2 254076611 JDULDANUKPNHRN-OSHDJZDNSA-N 349.299 2.617 5 1 EFBF O=C(O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587159560 RTVAQIMMYNRNEA-UHFFFAOYSA-N 331.259 2.887 5 1 EFBF O=c1oc2cc(OCCOc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 169337534 DTPXJSSWIRJJFP-UHFFFAOYSA-N 343.291 2.865 5 1 EFBF O=C(NCCN1CCCC1)c1cc(=O)c2ccc3ccccc3c2[nH]1 40431045 SSIQHZYSOZQFAN-UHFFFAOYSA-N 335.407 2.507 5 1 EFBF O=C(c1[nH]nc([N+](=O)[O-])c1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873729 IJFIFSREJCCWCM-UHFFFAOYSA-N 349.665 2.768 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587275045 QYTVRTOAGLWVBO-UHFFFAOYSA-N 345.322 2.968 5 1 EFBF O=C(NCCc1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587228191 KOMWFYUXKBFBAT-UHFFFAOYSA-N 340.339 2.940 5 1 EFBF CC(C)(C)C(=O)N1[C@@H](COc2ccc([N+](=O)[O-])cc2)COC1(C)C 1857751152 NEBDRRSIGYQLEK-ZDUSSCGKSA-N 336.388 2.983 5 1 EFBF O=C(c1ccccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O 587652374 CWQPNJVEHJZAJJ-UHFFFAOYSA-N 329.699 2.647 5 1 EFBF CN(C)CCNCCn1c2ccccc2c2nc3ccccc3nc21 1772579377 PEKKLDGFPWCPEY-UHFFFAOYSA-N 333.439 2.889 5 1 EFBF COc1cccc2c3c4c5c(cc6c(c5c12)OCO6)CCN4C(=O)C3=O 95913547 VAFXQESXYXYGGK-UHFFFAOYSA-N 347.326 2.816 5 1 EFBF biogenic,in-vitro O=[N+]([O-])c1cnc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 587076812 UKQLSQTVQNCKBA-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587784266 GQJIEDIMGDYFBH-OLZOCXBDSA-N 338.323 2.810 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1ncccc1[N+](=O)[O-])[C@@H](C2)C3=O 587431783 GNVHKOHMIQPTHI-APPDUMDISA-N 326.308 2.661 5 1 EFBF COc1cccc2oc3c4c(cc(O)c3c(=O)c12)O[C@@H]1OCC[C@H]41 2356720375 YQCVJKJLGICQCU-CVJBHZAOSA-N 326.304 2.883 5 1 EFBF CCn1cc([N+](=O)[O-])c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587875597 RVQZRNFICKGPKQ-UHFFFAOYSA-N 343.274 2.608 5 1 EFBF Cc1nc(C(F)(F)F)nc(NCCCn2ccnc2[N+](=O)[O-])c1C 73168090 KIAYZSZGDQXIDI-UHFFFAOYSA-N 344.297 2.719 5 1 EFBF O=[N+]([O-])c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586925427 ZOOQYFRVHHDBIY-CMDGGOBGSA-N 329.337 2.916 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3c(Cl)cccc3nc12 5808514 HFICEWDARBQSAR-UHFFFAOYSA-N 328.803 2.728 5 1 EFBF COc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1OC 587267564 NIGMGBYSVVHFLW-SECBINFHSA-N 331.332 2.603 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)cc([N+](=O)[O-])c1O)O2 587389174 JMONJIQQNNLFKX-HNNXBMFYSA-N 342.307 2.710 5 1 EFBF C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C 5032561 VJCXDYYRMJTACP-OUCADQQQSA-N 334.372 2.693 5 1 EFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(OC(F)(F)F)cc1)C2 115603392 QUMAYTSFYCTSLG-JTQLQIEISA-N 345.233 2.530 5 1 EFBF CCOC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267999 VILVATLLYGJRAC-SNVBAGLBSA-N 343.343 2.762 5 1 EFBF CCCc1c(O)ccc2c1O[C@](C)(Cn1cc([N+](=O)[O-])cn1)CC2=O 587472247 ZGOZKDFRESXXNS-KRWDZBQOSA-N 345.355 2.874 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587266959 CSSQZTZSXARJOC-ZETCQYMHSA-N 340.265 2.999 5 1 EFBF O=[N+]([O-])c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586924249 NDMJDJORAIAWJO-KTKRTIGZSA-N 329.337 2.916 5 1 EFBF C[N+]1([O-])C[C@@H]2c3cc4c(cc3C[C@H]1c1cc3c(cc12)OCO3)OCO4 14685299 HKSIYKWANOBROL-FKTKBCEVSA-N 339.347 2.831 5 1 EFBF CC/C=C/COC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719565 ZRJTUIUUDGMRNL-YJQVQVLHSA-N 345.355 2.946 5 1 EFBF CN1CCC[C@@H]1COC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086428 CXQGRGYWWSWIEO-LLVKDONJSA-N 347.396 2.969 5 1 EFBF Cn1nc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510580 BKLJVQCSZFGHDQ-HNNXBMFYSA-N 327.340 2.914 5 1 EFBF Cc1nnc2c3ccccc3c(-c3cc(C(=O)O)cc([N+](=O)[O-])c3)nn12 103240718 PJLRUDRKRLZBPF-UHFFFAOYSA-N 349.306 2.859 5 1 EFBF CC[C@H](CO)NCc1ccc2oc3cc(OC)ccc3c(=O)c2c1 95592632 CISLGJDHKBFBLZ-CYBMUJFWSA-N 327.380 2.815 5 1 EFBF COC(=O)CC[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587260222 UGLUKVUJGBHFOZ-LBPRGKRZSA-N 335.367 2.612 5 1 EFBF O=C(NCCN1CCCC1)c1c[nH]c2c(ccc3ccccc32)c1=O 40955210 CQAUUNCLPJOJOT-UHFFFAOYSA-N 335.407 2.507 5 1 EFBF O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc([N+](=O)[O-])cc1O 653710295 PTUQQYMZWHUOQM-GORDUTHDSA-N 335.297 2.922 5 1 EFBF Cn1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1O 587154770 DTXMZWZQRSIDFR-UHFFFAOYSA-N 334.314 2.905 5 1 EFBF CN1CCN(CCc2nc3ccccc3c3nc4ccccc4n23)CC1 31848101 GEHKLWSECYAJRO-UHFFFAOYSA-N 345.450 2.826 5 1 EFBF COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cccc([N+](=O)[O-])c12 587647248 FEBYLPABVHDKRC-UHFFFAOYSA-N 328.328 2.880 5 1 EFBF C[C@@H]1C[C@@H]([C@H]2CCC[N+]2([O-])CCCC[C@@H]2C[C@@H](C)C(=O)O2)OC1=O 238783965 LSKCQFRFNXFNJF-QLCHXCOKSA-N 339.432 2.537 5 1 EFBF O=c1c2ccccc2oc2cc(OCCCN3CCNCC3)ccc12 71330902 ZXIREPCEDVNLTK-UHFFFAOYSA-N 338.407 2.620 5 1 EFBF O=[N+]([O-])c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 38387927 DENIPLMYQYHPPA-UHFFFAOYSA-N 333.311 2.838 5 1 EFBF CN(C)Cc1ccccc1Cn1nc(O)c2cc([N+](=O)[O-])ccc21 40937725 CCLVEKSGSJZEDT-UHFFFAOYSA-N 326.356 2.760 5 1 EFBF O=C1NC(=O)c2c1c1c3cnccc3[nH]c1c1[nH]c3ccc(O)cc3c21 40430692 VBQLCCRSWVCEOW-UHFFFAOYSA-N 342.314 2.940 5 1 EFBF O=[N+]([O-])c1ccc(Cc2nc3ccc(CCO)cc3[nH]2)c([N+](=O)[O-])c1 587264653 PBCAXFTYGNXCLU-UHFFFAOYSA-N 342.311 2.505 5 1 EFBF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587174005 FEOCNRJVEWYFPX-LBPRGKRZSA-N 340.318 2.729 5 1 EFBF O=C(O)/C=C/C=C\c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587966939 ZONQDJLTHMYWOG-HSFFGMMNSA-N 338.117 2.888 5 1 EFBF CCOC(=O)COn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21 28957072 OUMMEQZNPJSBMN-UHFFFAOYSA-N 341.323 2.603 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(F)c(Br)c2[nH]1 587273492 CDHHEBAEKJKXFE-UHFFFAOYSA-N 340.112 2.773 5 1 EFBF CN1[C@@H]2c3ccccc3[C@H]3[C@H]1[C@H]([N+](=O)[O-])[C@@H]1c4ccccc4[C@@H]2[C@@H]3N1C 169689338 UUMRZCBXYLHSJR-KDNRZTQCSA-N 347.418 2.937 5 1 EFBF N=c1cc[nH]cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587249912 RVJBBOANZCLZQZ-UHFFFAOYSA-N 334.133 2.708 5 1 EFBF COc1cc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2)ccc1O 13832552 OTYOODXBLUXGCO-UHFFFAOYSA-N 330.340 2.558 5 1 EFBF N=C(NN1CCOCC1)c1ccc2ccc3nc4ccccc4n3c2c1 28869200 LPEXMEVVHOKERM-UHFFFAOYSA-N 345.406 2.803 5 1 EFBF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587784069 DUFHSYOXUKLIMR-RYUDHWBXSA-N 338.323 2.810 5 1 EFBF Cc1c2cn(C)ccc2c(C(=O)NCCN)c2nc3ccccc3c12 1772575300 RHUVAWDBGQBPDV-UHFFFAOYSA-N 332.407 2.877 5 1 EFBF O=C(O)c1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 73200346 UGWANONAPQLCBU-UHFFFAOYSA-N 343.295 2.764 5 1 EFBF Nc1ncnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12 587270225 SYFDXGBCDKUPAL-UHFFFAOYSA-N 333.311 2.572 5 1 EFBF CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645612 ZQCQMPSUQILDQX-UHFFFAOYSA-N 330.218 2.841 5 1 EFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]1CCCN12 169322065 YINCEYBMSIPJQY-JRBPQWBISA-N 349.390 2.741 5 1 EFBF Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 1635317 GUQSICBSGMOVMZ-UHFFFAOYSA-N 336.325 2.953 5 1 EFBF O=[N+]([O-])c1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1[N+](=O)[O-] 587140761 PWDKKZPIWVABQM-UHFFFAOYSA-N 332.247 2.678 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2cncc(Br)c2[nH]1 587269088 PITOCLCGDCLFAT-UHFFFAOYSA-N 349.148 2.636 5 1 EFBF CN1CCC[C@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086372 DJIWEZKSRKGZKD-ZDUSSCGKSA-N 347.396 2.969 5 1 EFBF COc1cc2c(=O)oc3c4ooc4cc4c(=O)oc(c1OC)c2c43 238747415 KFJCJZYMDNJCMY-UHFFFAOYSA-N 328.232 2.847 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 587267485 KZXYJLLOOUWQIV-ZETCQYMHSA-N 340.265 2.999 5 1 EFBF CCOC(=O)c1nn(C(=O)c2ccsc2)c2ccc([N+](=O)[O-])cc12 96273857 WFLDVBITVQPULG-UHFFFAOYSA-N 345.336 2.871 5 1 EFBF O=c1ccc([N+](=O)[O-])c2oc(-c3ccc([N+](=O)[O-])cc3)cc(O)c1-2 169714018 AANSQJBIMYKAPD-UHFFFAOYSA-N 328.236 2.934 5 1 EFBF O=C(O)/C=C/C=C\c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587966853 YTVGNSCFXRIXIB-HSFFGMMNSA-N 338.117 2.888 5 1 EFBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1 587388819 GQLQOWQQXGOXEJ-OAHLLOKOSA-N 344.323 2.906 5 1 EFBF O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587962089 QTDJGRLDTWWYBU-UHFFFAOYSA-N 329.287 2.828 5 1 EFBF COc1cc2c3c(c1)O[C@@H](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587430765 BPBZRNGBDPDDRQ-CABCVRRESA-N 325.320 2.962 5 1 EFBF COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N+]3(C)C)[C@@H]1O5 14765852 SAIGBDBLZXKQLH-VHKYSDTDSA-N 326.416 2.569 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 587267182 GKSWSRPDWXGUQK-JTQLQIEISA-N 343.343 2.747 5 1 EFBF C[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173358 BXLPTIKUDGXMSV-MRXNPFEDSA-N 342.286 2.634 5 1 EFBF Nc1nc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c(-c2ccco2)n1 43120105 NMWQGSJOLWAPEH-UHFFFAOYSA-N 343.274 2.618 5 1 EFBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCOCC4)cc3)C2)o1 95564282 WBYGHVFBDQKPLZ-INIZCTEOSA-N 343.339 2.890 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N)c([N+](=O)[O-])c1)O2 587390876 SEQOEQKXLARGJQ-KRWDZBQOSA-N 327.340 2.948 5 1 EFBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC1CCC1 169719506 DBIWCFCKRSFDLV-UONOGXRCSA-N 331.328 2.532 5 1 EFBF O=C(COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 102387897 CARXIZTUWKIHCE-JHJVBQTASA-N 332.356 2.903 5 1 EFBF CONC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 299829526 VNPZZVYHNCQCBR-UHFFFAOYSA-N 346.324 2.573 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587266957 CSSQZTZSXARJOC-SSDOTTSWSA-N 340.265 2.999 5 1 EFBF Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 1857579902 KHVREVYWQBJNOU-UHFFFAOYSA-N 326.399 2.752 5 1 EFBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC1CCCC1 169719438 DUTOIEMVMPQCQJ-LSDHHAIUSA-N 345.355 2.922 5 1 EFBF CC/C=C\COC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719512 ZRJTUIUUDGMRNL-ZYOQUQOHSA-N 345.355 2.946 5 1 EFBF CN(C)CCNC(=O)c1cc2c3ccncc3n(C)c2c2cccnc12 96921185 ANQXJJWKFBPCRO-UHFFFAOYSA-N 347.422 2.566 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@H]1O[C@H]1C2 254076606 JDULDANUKPNHRN-BFHVLBAGSA-N 349.299 2.617 5 1 EFBF C[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1 587156654 OSZJLRNSVATCKT-MRXNPFEDSA-N 341.302 2.796 5 1 EFBF COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1F 587264109 ARMMSBNMARITMZ-JTQLQIEISA-N 346.318 2.567 5 1 EFBF COc1cc(-c2nc3c(Cl)ncnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260845 IQPVEAOEXBNWTE-UHFFFAOYSA-N 335.707 2.599 5 1 EFBF O=c1ccc2c(O)cc(-c3ccc([N+](=O)[O-])cc3)oc-2c1[N+](=O)[O-] 169714023 FNKWHNZTBXFAQM-UHFFFAOYSA-N 328.236 2.934 5 1 EFBF O=[N+]([O-])c1cccc2nc(CSc3nnc(S)s3)[nH]c12 587025512 NNNXQQWISTUWLL-UHFFFAOYSA-N 325.400 2.904 5 1 EFBF COC(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc([N+](=O)[O-])c1 101580761 PENVKWWXDLNRLA-QHSOUUPTSA-N 346.383 2.936 5 1 EFBF O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncnc2nn3ccccc3c12 28134314 XIDJQQGLLNEFTP-UHFFFAOYSA-N 349.310 2.830 5 1 EFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 587265141 OGEODWPVVRUODW-QMMMGPOBSA-N 328.288 2.947 5 1 EFBF CCN(CC)CCNc1cc(C)nc2c3cc4ccccc4nc3[nH][n+]12 377853424 QXDFCZDWXNNCRZ-UHFFFAOYSA-O 349.462 2.912 5 1 EFBF CCCCc1ccc(CN[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 40950262 ZLXGJJYGOXGFSV-HNNXBMFYSA-N 330.388 2.685 5 1 EFBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC1CCC1 169719503 DBIWCFCKRSFDLV-KGLIPLIRSA-N 331.328 2.532 5 1 EFBF COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@@+]2(C)[O-])cc1O 255221282 JLMWCKYUUMRSRK-MGPUTAFESA-N 345.395 2.899 5 3 EFBF O=C(NCc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2 587033856 BWXBGMVURKRQKK-UHFFFAOYSA-N 342.380 2.951 5 1 EFBF CN(C)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 5392991 DCJKONNQRWODKV-UHFFFAOYSA-N 328.437 2.881 5 1 EFBF Cc1cc2c(cc1O)[C@@H](c1ccc([N+](=O)[O-])cc1C)N[C@H](C(=O)O)C2 963511617 UKRJBAFGGNTGMT-DOTOQJQBSA-N 342.351 2.606 5 1 EFBF COc1cc(OC)c2c(=O)c3cc(OC)c(O)c(OC)c3oc2c1 14649056 CYPTUXAPGYYRNQ-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic,in-vitro O=c1nc2n(-c3ccccc3O)c3cc(Cl)ccc3cc-2c(=O)[nH]1 96282706 QMQROIXSBGJOHI-UHFFFAOYSA-N 339.738 2.538 5 1 EFBF C[C@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F 13649215 LWOSCRJYWZGEFP-VIFPVBQESA-N 346.183 2.865 5 1 EFBF CN1C(=O)C(=O)c2cc3c(c4c2c1cc1cc2c(cc14)OCO2)OCO3 14715532 AKCPDBGRLKSGAI-UHFFFAOYSA-N 349.298 2.610 5 1 EFBF biogenic,in-vitro CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 587952764 WYASRABZACDYRO-ZBOXLXRLSA-N 334.376 2.944 5 1 EFBF COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O 587430669 ABBFOAKBJINSST-SCLBCKFNSA-N 340.335 2.848 5 1 EFBF COc1cc(C)c2c(=O)c3c(O)c(OC)c(OC)c(O)c3oc2c1 2356754108 HIKAANALSKWFTA-UHFFFAOYSA-N 332.308 2.692 5 1 EFBF O=C(OCc1ccccc1)[C@@H]1COC(c2ccc([N+](=O)[O-])cc2F)=N1 49050311 HKRWURXLWVQYJO-HNNXBMFYSA-N 344.298 2.623 5 1 EFBF COCCOc1ccc(-c2nc3ccc(O)cc3[nH]2)cc1[N+](=O)[O-] 587264707 HZEWVXKALPGZPS-UHFFFAOYSA-N 329.312 2.869 5 1 EFBF COCCNc1ccc(-c2nc3cc(C)cnc3[nH]2)cc1[N+](=O)[O-] 587266482 YPWCVSJMMLDHCO-UHFFFAOYSA-N 327.344 2.900 5 1 EFBF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc([N+](=O)[O-])cc1 96285983 FSNSTDVQWKJMHC-UHFFFAOYSA-N 325.324 2.928 5 1 EFBF O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1CN1CCCC1 3775808 HKBLOBUXUYPOLU-QGZVFWFLSA-N 331.416 2.614 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3ccc(Cl)cc3nc12 27987866 OBPJMZPRCOCHLI-UHFFFAOYSA-N 328.803 2.728 5 1 EFBF CN(C)CCN1C(=O)c2ccc(O)c3cc4ccccc4c(c23)C1=O 29388383 VCKPOTAOSXKNLV-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF C[C@H]1[C@@H]2Cc3cc([N+](=O)[O-])c(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1 40429650 GCFPNZRENRSQOW-UTLVKMTRSA-N 343.427 2.628 5 1 EFBF O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] 40410446 NWFOGEPIYXJXFZ-NRUUGDAUSA-N 330.768 2.861 5 1 EFBF COc1cc(OCc2nc3cc4c(cc3[nH]2)OCO4)ccc1[N+](=O)[O-] 587261413 BALMGQWUHAXYIC-UHFFFAOYSA-N 343.295 2.787 5 1 EFBF C[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277333 TUIYJUYJEKNGJE-YFKPBYRVSA-N 327.131 2.979 5 1 EFBF Cc1ccnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 587118362 PHPNXEMIGMDWBQ-UHFFFAOYSA-N 340.265 2.747 5 1 EFBF O=[N+]([O-])c1cccc(CCc2nc3nc(Br)c[nH]c-3n2)c1 587269470 DEHQCQGJHAIOCA-UHFFFAOYSA-N 348.160 2.760 5 1 EFBF O=C(O)c1ccc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 235599 LOIKFHMFENRXTR-UHFFFAOYSA-N 341.728 2.779 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587267966 KMKHCGROZSJGLA-UHFFFAOYSA-N 347.306 2.677 5 1 EFBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587231034 QQBHVNGRRRVEQD-RYUDHWBXSA-N 346.387 2.508 5 1 EFBF O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587652267 AXYHPFDWZRVQFY-UHFFFAOYSA-N 346.686 2.856 5 1 EFBF COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1F 587267935 IXUPCZDGQGKEKL-UHFFFAOYSA-N 333.323 2.987 5 1 EFBF CCO[C@@H](OC(C)=O)[C@@H]1C=C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)O1 5840026 IJHIEEIWVFVNRK-UVBJJODRSA-N 336.344 2.585 5 1 EFBF CN(C)CCN1C(=O)c2c(O)ccc3cc4ccccc4c(c23)C1=O 27558155 FWVFINSGMNAREF-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF COc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2n1 587137348 VZGXPTBMPATXRD-UHFFFAOYSA-N 345.334 2.959 5 1 EFBF CCOC(=O)CNc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587225712 RVCDELICKIKWCA-UHFFFAOYSA-N 341.327 2.508 5 1 EFBF C/C=C/COC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719558 BEVKUYCUIZIZOA-NVFZZLLCSA-N 331.328 2.556 5 1 EFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587270523 LRSVKEGKDQXHCH-NSHDSACASA-N 327.300 2.622 5 1 EFBF C[N+](C)([O-])CCNc1ccc2ncn3c4ccc(F)cc4c(=O)c1c23 101446258 INRNHVHRUAPPLT-UHFFFAOYSA-N 340.358 2.564 5 1 EFBF O=c1nc2n(-c3ccccc3)c3nc4ccccc4cc3cc-2c(=O)[nH]1 28640040 KHUNSSZFPBOZFU-UHFFFAOYSA-N 340.342 2.727 5 1 EFBF COc1ccc(OC)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1OC 587927386 PYVQSWWDGBGFSJ-UHFFFAOYSA-N 330.300 2.559 5 1 EFBF COc1cc2c3c(c1)O[C@H](c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434627 XFNGGZCKFQNKCL-SUMWQHHRSA-N 327.292 2.798 5 1 EFBF C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587211232 NOOMZKPKZMPTES-BIMULSAOSA-N 326.352 2.902 5 1 EFBF Cc1nc([N+](=O)[O-])nn1C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100437053 GCXVVAXZOUZPFA-ITSCGTHASA-N 341.209 2.938 5 1 EFBF O=[N+]([O-])c1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1F 587128939 URGJBHZLUJBKNL-UHFFFAOYSA-N 349.232 2.653 5 1 EFBF CC(C)(C)C(=O)Nc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cn1 587245807 YJTOLAQJSPHNPO-UHFFFAOYSA-N 340.343 2.913 5 1 EFBF CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(noc2C)C[C@]1(C)O 1065254 QFIOBYZYLDTUAR-IKGGRYGDSA-N 330.340 2.535 5 1 EFBF O=[N+]([O-])c1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1[N+](=O)[O-] 587090312 OWPIYTVGZCNCKZ-UHFFFAOYSA-N 335.226 2.914 5 1 EFBF O=C(O)c1cccnc1SCc1nc2ccc([N+](=O)[O-])cc2[nH]1 586969099 SPTILFVLMCRASH-UHFFFAOYSA-N 330.325 2.857 5 1 EFBF O=C(O)c1ccc(/C=C/c2nc(O)c3scc([N+](=O)[O-])c3n2)o1 1857593743 JNBUPKZSCNZUGC-DUXPYHPUSA-N 333.281 2.767 5 1 EFBF CC(CO)(CO)NCc1c2ccccc2nc2c1[nH]c1ccccc12 40950682 YABVPAWASKYHCA-UHFFFAOYSA-N 335.407 2.702 5 1 EFBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCO)C2 473160669 ZASJEOZWHGHBEG-AWEZNQCLSA-N 334.375 2.953 5 1 EFBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccc(F)cc1 72177718 GGOWRLOWQBUTAE-BWNDKRECSA-N 333.319 2.884 5 1 EFBF COc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc(OC)c1 63069475 GERXMXFLWWITCY-UHFFFAOYSA-N 345.355 2.611 5 1 EFBF NNCCc1ccc(NC(=O)CCCc2ccc([N+](=O)[O-])cc2)cc1 169700530 NJCYKYONIOSIHZ-UHFFFAOYSA-N 342.399 2.562 5 1 EFBF COc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](N)C(C)(C)O2 28705832 DVUDGIZGJOFNPP-OAHLLOKOSA-N 325.364 2.996 5 1 EFBF CCc1cc(O)nc(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)n1 586967388 ZSISGYBUBJUYRX-UHFFFAOYSA-N 349.347 2.961 5 1 EFBF CN(C)CCNC(=O)c1c(Cl)ccc2nc3ccccc3nc12 27897645 ZEGFWBWNQNXKTE-UHFFFAOYSA-N 328.803 2.728 5 1 EFBF O=[N+]([O-])c1cc(Sc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 1772618563 LRKRGJAENFRZQX-UHFFFAOYSA-N 344.312 2.630 5 1 EFBF O=[N+]([O-])c1cn(C[C@H](O)c2ccc(F)cc2F)c(Br)n1 66078973 ZXSHPNMZGADMJL-VIFPVBQESA-N 348.103 2.566 5 1 EFBF COc1cc(-c2nc3ccc(CO)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260986 ODHVLJVIQPTPJY-UHFFFAOYSA-N 329.312 2.648 5 1 EFBF COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)[N+](C)([O-])CC4)OCO3 13380113 XXYXOPLUMPTYRX-SVZXGPMESA-N 341.363 2.894 5 1 EFBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c(Cl)nc3ccccc32)cc1 1857752506 QXFZYVGVQKOOIO-UHFFFAOYSA-N 337.744 2.835 5 1 EFBF CC(=O)N1N=C(c2ccc(C)nc2)O[C@@]1(C)c1ccc([N+](=O)[O-])cc1 96935266 WTDIQQJWLYWMMI-KRWDZBQOSA-N 340.339 2.711 5 1 EFBF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587117971 YNDSVWIUDXCGBW-UHFFFAOYSA-N 346.656 2.939 5 1 EFBF CN(C)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 27559520 GPWJVMFQENNZFD-UHFFFAOYSA-N 340.383 2.953 5 1 EFBF COC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570052 GUBGOGLNLMKZAP-UHFFFAOYSA-N 331.400 2.830 5 1 EFBF Cc1cc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c(C)n1 587264359 MEHDLEHTLNYYTO-UHFFFAOYSA-N 327.300 2.982 5 1 EFBF NC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1 84687509 FAIGEXJVXFKDRO-UHFFFAOYSA-N 339.804 2.797 5 1 EFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)c(F)cc2[nH]1 587265182 MAKDWTJJLMYERG-JTQLQIEISA-N 334.282 2.697 5 1 EFBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] 586902517 LFIKPCYKWDAHGC-BONVTDFDSA-N 340.295 2.948 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(C(=O)O)c2[nH]1 587270346 VONYMXYWLJNZRP-UHFFFAOYSA-N 341.279 2.561 5 1 EFBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccn1 587649053 OPYUUZHVNVZIBK-UHFFFAOYSA-N 339.307 2.879 5 1 EFBF COCCNc1ccc(-c2nc3cc(OC)ncc3[nH]2)cc1[N+](=O)[O-] 587266070 VGUYUKCPLFPIOD-UHFFFAOYSA-N 343.343 2.600 5 1 EFBF O=C1CCCc2[nH]nc(-c3nnc(-c4ccccc4[N+](=O)[O-])o3)c21 1911575648 YGTCYODHEKAYRG-UHFFFAOYSA-N 325.284 2.554 5 1 EFBF N=c1[nH]c2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc-2c(Cl)[nH]1 587139048 CTZBYQVALIYTJF-UHFFFAOYSA-N 343.105 2.738 5 1 EFBF C[N+](C)(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21 25532 JGNWXJXJPPVLPC-UHFFFAOYSA-N 335.435 2.536 5 1 EFBF COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1OC 14648972 IVIHXSCDINRQJE-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic COc1cc2c3c(c1)O[C@H](c1ccc(C=O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434700 YTKSMYNDYXUHLX-SCLBCKFNSA-N 339.303 2.905 5 1 EFBF N[C@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587149388 RPGBDJOMXQBTER-OAHLLOKOSA-N 345.290 2.913 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587272935 BMXRRGNFJRXWKC-UHFFFAOYSA-N 327.678 2.956 5 1 EFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])c(O)ccc12 13738755 ZLYYLDRAOQDFFQ-UHFFFAOYSA-N 328.236 2.982 5 1 EFBF CS(=O)(=O)Nc1ccc2ccc3nccc(Cl)c3c(=O)c2c1 72110348 FFGSBDIRECOIGG-UHFFFAOYSA-N 334.784 2.773 5 1 EFBF Cc1nn(Cc2ccccc2-c2nc3cnncc3[nH]2)c(C)c1[N+](=O)[O-] 587268280 ZUHYVACLXZOQPU-UHFFFAOYSA-N 349.354 2.790 5 1 EFBF CN1CCN=C1c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1629424 NKXNTDZAUVCITI-UHFFFAOYSA-N 348.366 2.535 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2c(Br)ccnc2[nH]1 587268408 WMAHOKBIFXAADF-UHFFFAOYSA-N 349.148 2.636 5 1 EFBF COc1c([N+](=O)[O-])ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587390021 OVYSFRRYNJWEIF-AWEZNQCLSA-N 344.323 2.906 5 1 EFBF O=C(/C=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccc(F)cc1 587166533 DJIAVQQIDGWWCH-WAYWQWQTSA-N 327.275 2.657 5 1 EFBF O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3)oc12 13526407 UJLJKKPKBGCBNP-UHFFFAOYSA-N 325.276 2.995 5 1 EFBF C[N+]12CCc3cc4c(cc3[C@@H]1Cc1ccc3c(c1C2)OCO3)OCO4 4097035 GBUUKFRQPCPYPW-BJQOMGFOSA-N 338.383 2.944 5 1 EFBF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N)c([N+](=O)[O-])c1)O2 587390878 SEQOEQKXLARGJQ-QGZVFWFLSA-N 327.340 2.948 5 1 EFBF O=[N+]([O-])c1ccc(C2CCN([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 28239685 RESIHVZCDHJATD-DOTOQJQBSA-N 349.387 2.986 5 1 EFBF COc1cc2oc3c(OC)c(O)cc(C)c3c(=O)c2c(O)c1OC 238786119 YMJKCJXHXKSOLV-UHFFFAOYSA-N 332.308 2.692 5 1 EFBF Cc1cc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587268613 GYROZBHIFDPBQN-UHFFFAOYSA-N 328.288 2.695 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587274914 WIHNQSGVQHBOHK-UHFFFAOYSA-N 341.249 2.923 5 1 EFBF O=CNc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)O 587646895 MQINPASSPFJEMB-UHFFFAOYSA-N 339.307 2.939 5 1 EFBF COc1cc(OC)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 587268459 YTMDPWDNPSNFGC-UHFFFAOYSA-N 345.359 2.857 5 1 EFBF O=[N+]([O-])c1cncc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 587126895 OHDWWFRZAIUOGF-UHFFFAOYSA-N 330.266 2.806 5 1 EFBF O=[N+]([O-])c1ccc(SC(=S)N2CCSCC2)c([N+](=O)[O-])c1 95579024 PKVLPRRSVJWGIF-UHFFFAOYSA-N 345.427 2.929 5 1 EFBF O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccccc3F)C2)ccc1CO 1857652869 ZSVZPNUPGUGYID-MRXNPFEDSA-N 345.374 2.913 5 1 EFBF Nc1nc(-c2ccco2)c2ncn(Cc3cccc([N+](=O)[O-])c3)c2n1 29048127 LYSMIARHRJVSBZ-UHFFFAOYSA-N 336.311 2.625 5 1 EFBF in-vivo CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586882101 KAAZTNZBYDPICB-UHFFFAOYSA-N 338.323 2.795 5 1 EFBF C[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276020 HVYHHDFOIFAFQY-YFKPBYRVSA-N 327.131 2.979 5 1 EFBF CN(C)CCNC(=O)c1cccc2c1Oc1cc([N+](=O)[O-])ccc1O2 13650221 QKKYKTZQBPMKQM-UHFFFAOYSA-N 343.339 2.784 5 1 EFBF CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 169348080 ZARKETKGHVGDCC-MRXNPFEDSA-N 329.312 2.989 5 1 EFBF CC/C=C\COC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719513 ZRJTUIUUDGMRNL-NWRQEBOHSA-N 345.355 2.946 5 1 EFBF CO[C@@H](C)COC1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 587950753 CJOMYPBXBFPZPP-UNXYVOJBSA-N 334.376 2.944 5 1 EFBF C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C 5020851 WBFVHGCBIJYBMI-HBNTYKKESA-N 340.401 2.754 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)ccnc2[nH]1 587270331 VEFJYEHTHJDHAH-UHFFFAOYSA-N 332.703 2.911 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3cc(Cl)ccc3nc12 5808512 NTSWUECBCJZFOM-UHFFFAOYSA-N 328.803 2.728 5 1 EFBF COc1ccc(C=O)c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1OC 587794587 NHOHZIUWHCALOI-UHFFFAOYSA-N 327.296 2.968 5 1 EFBF CN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 299826393 LSUDCGOMNCZIPR-UHFFFAOYSA-N 344.352 2.984 5 1 EFBF CCOCCOCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587777837 CZNVSGZDGGXDMK-UHFFFAOYSA-N 344.165 2.787 5 1 EFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587273249 GGZJTIMZCRFEGT-ZETCQYMHSA-N 340.265 2.885 5 1 EFBF C/C=C/COC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719556 BEVKUYCUIZIZOA-PUWCWTCHSA-N 331.328 2.556 5 1 EFBF O=[N+]([O-])c1ncn(CCCNCc2ccc3ccc(Cl)cc3n2)n1 73196499 RWFJQAMLDGXLDA-UHFFFAOYSA-N 346.778 2.568 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1C(=O)O)O2 587389240 KBOVFSBLTHBDQY-OAHLLOKOSA-N 342.307 2.890 5 1 EFBF C[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1NC(=O)c1ccccc1 28826419 KPGUAVQPUWUYTO-XZOAIXRZSA-N 342.351 2.827 5 1 EFBF COC(=O)COc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 653716960 DAMNJJOCGWPYMF-UHFFFAOYSA-N 341.323 2.545 5 1 EFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(F)cc3[nH]2)cc1 586919738 FMKYRXTVUXULRL-UHFFFAOYSA-N 335.316 2.584 5 1 EFBF Cc1nn(Cc2ccccc2-c2nc3ncc[nH]c-3n2)c(C)c1[N+](=O)[O-] 587267494 LCFKBPLFHDUMGV-UHFFFAOYSA-N 349.354 2.741 5 1 EFBF C[C@@H](NCCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 473137848 ZXKXWWSPGXOZEU-FZKQIMNGSA-N 328.368 2.879 5 1 EFBF COc1c(O)ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] 587389676 MXBIFOSJUWZUAU-CQSZACIVSA-N 344.323 2.906 5 1 EFBF CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 1530667 OEXHQOGQTVQTAT-XVUAGMNHSA-N 332.464 2.854 5 3 EFBF world O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccc(F)cc1 28955479 KVGMBLZPVUDRLY-UHFFFAOYSA-N 330.363 2.756 5 1 EFBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O 82082160 KCPKKIWSKZDJIE-LBPRGKRZSA-N 349.368 2.557 5 1 EFBF CS(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270863 VHFGMAOQJPZZBU-UHFFFAOYSA-N 345.380 2.660 5 1 EFBF COc1ccc2oc3cc(C)c(OC)c(CO)c3c(=O)c2c1OC 2356327527 CKRDELRDYMBUMS-UHFFFAOYSA-N 330.336 2.773 5 1 EFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587273719 KUENVFOQUGIHAM-SSDOTTSWSA-N 334.267 2.519 5 1 EFBF CCOC(=O)Nc1cc(NCCc2ccccc2)c([N+](=O)[O-])c(N)n1 27187100 YTZKXLMMKIFEIV-UHFFFAOYSA-N 345.359 2.795 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(F)cc(Br)c2[nH]1 587274761 LWKGZERQACUQRN-UHFFFAOYSA-N 340.112 2.773 5 1 EFBF CCOC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 72108929 PUNHUUKPMKAWFN-UHFFFAOYSA-N 337.313 2.839 5 1 EFBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587784068 DUFHSYOXUKLIMR-NWDGAFQWSA-N 338.323 2.810 5 1 EFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587273720 KUENVFOQUGIHAM-ZETCQYMHSA-N 334.267 2.519 5 1 EFBF Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 35323267 CXKKDMBQHWZSKG-UHFFFAOYSA-N 337.335 2.884 5 1 EFBF in-vivo COc1cc(OCc2nc3cccc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] 587263186 OELWUVAFOBLOMS-UHFFFAOYSA-N 343.295 2.757 5 1 EFBF CN(C)CCCNc1ccc2c3c(C(=O)O)c(=O)nc-3c3cccc1c32 45353746 SXJQEDNNRAXRQT-UHFFFAOYSA-N 349.390 2.790 5 1 EFBF CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2cc([N+](=O)[O-])ccc12 587647028 CWDMZEGYOKMLGO-UHFFFAOYSA-N 328.328 2.962 5 1 EFBF C[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277332 TUIYJUYJEKNGJE-RXMQYKEDSA-N 327.131 2.979 5 1 EFBF COC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587268324 REOXXSZGJGVESA-UHFFFAOYSA-N 343.343 2.626 5 1 EFBF Cc1cc(NCCCN(C)C)[n+]2[nH]c3nc4ccccc4cc3c2n1 377853417 JMTHSXXERQNTMT-UHFFFAOYSA-O 335.435 2.522 5 1 EFBF Cc1ccnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 587092625 VXGVOMMHRXPMLU-UHFFFAOYSA-N 326.238 2.600 5 1 EFBF c1ccc2c(c1)nc(CCN1CCOCC1)n1c3ccccc3nc21 31848099 BGIKIKHAMSSRFR-UHFFFAOYSA-N 332.407 2.910 5 1 EFBF C[C@H]1c2c(nc3cccc4c3c2CC4)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587211236 NOOMZKPKZMPTES-JIMOISOXSA-N 326.352 2.902 5 1 EFBF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586880892 CROHPQOWBAQPMP-UHFFFAOYSA-N 338.323 2.795 5 1 EFBF COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1N 587132409 AFTJBQIGIYTYPB-UHFFFAOYSA-N 347.262 2.776 5 1 EFBF COc1cc2ccn(Cc3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC 653751566 YDBLVXUKVHIOKY-UHFFFAOYSA-N 340.335 2.975 5 1 EFBF O=C(O)c1cn(C2CC2)c2cc(NC3CC3)c([N+](=O)[O-])cc2c1=O 5932817 VHBWUDLPWGZTKB-UHFFFAOYSA-N 329.312 2.517 5 1 EFBF N[C@@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587149379 RPGBDJOMXQBTER-HNNXBMFYSA-N 345.290 2.913 5 1 EFBF O=C(Cn1c2ccccc2c2nn3cnnc3nc21)c1cccs1 958026578 QLNIODKOXBBYIJ-UHFFFAOYSA-N 334.364 2.572 5 1 EFBF CN(C)CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 1772620014 WHEJSRHBRKGFGL-UHFFFAOYSA-N 348.406 2.843 5 1 EFBF CC1(C)CNC(=O)c2cc3n(c2C1)CCc1cc([N+](=O)[O-])ccc1-3 40379432 XWAJFSRFTRGNCP-UHFFFAOYSA-N 325.368 2.932 5 1 EFBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)C2CCCCC2)CC1 95591616 UVXDPFXNDMLVCT-UHFFFAOYSA-N 346.431 2.865 5 1 EFBF COCCOc1ccc(-c2nc3cc(OC)ncc3[nH]2)cc1[N+](=O)[O-] 587264721 IJBUSIDZCAVDTG-UHFFFAOYSA-N 344.327 2.567 5 1 EFBF CN(C)CCN1C(=O)c2cc(N)cc3cc4ccccc4c(c23)C1=O 28094459 ZWWUNEIXRMOYKG-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] 586902519 LFIKPCYKWDAHGC-MEBBXXQBSA-N 340.295 2.948 5 1 EFBF COc1ccc2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] 14618028 LMHXWMJTLONGGL-IJXZTRCJSA-N 341.363 2.680 5 1 EFBF O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cc(O)cc13)OCO2 143616623 RGAHJXZSRGWIHO-UHFFFAOYSA-N 343.247 2.739 5 1 EFBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1C 587262213 GFITZUVOWUAMNG-ZMLRMANQSA-N 331.372 2.540 5 1 EFBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccccc1F 72176788 XNXBNVOROGEMRP-AEZGRPFRSA-N 333.319 2.884 5 1 EFBF C[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1cc([N+](=O)[O-])cn1 587277204 QNLRNTNNBLQJRA-RXMQYKEDSA-N 327.131 2.979 5 1 EFBF COc1cc2c(cc1O)C[C@H]1c3cc(O)c(OC)cc3CC[N+]1(C)C2 5764808 RBBVPNQTBKHOEQ-BJQOMGFOSA-O 342.415 2.915 5 1 EFBF biogenic,in-vitro C[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc([N+](=O)[O-])cn1 587276507 LKTUDQFPVISHJR-LURJTMIESA-N 337.242 2.598 5 1 EFBF COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(OC)cc3[N+]1(C)CC2 14947543 KMJDZTDWUQFSHS-IWPPFLRJSA-O 328.388 2.906 5 1 EFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccccc1F 72176787 XNXBNVOROGEMRP-WSKFYRRCSA-N 333.319 2.884 5 1 EFBF CN(C)CCCOc1c2oc(=O)ccc2cc2c1oc1nnccc12 43060196 JIUFOLDYKOZGRI-UHFFFAOYSA-N 339.351 2.813 5 1 EFBF COc1cc2c(cc1O)[C@@H]1Cc3c(ccc(OC)c3O)[C@H]2C[N+]1(C)C 14681553 DPPZAYPIPOPCQN-CVEARBPZSA-O 342.415 2.934 5 1 EFBF O=C(CN1CCCC1)Nc1ccc2sc3ccccc3c(=O)c2n1 1644201 IZVRZVIYRDCFQT-UHFFFAOYSA-N 339.420 2.844 5 1 EFBF CSC[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28017175 IQXPCXIPJDXMRT-NSHDSACASA-N 338.307 2.666 5 1 EFBF C[C@H](O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 29127713 HJCMUYCNEHDUSS-NSHDSACASA-N 325.324 2.881 5 1 EFBF O=C1NN=C2C=C(c3ccc(O)cc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12 299838326 QDQMUJLVINBCIW-AEFFLSMTSA-N 349.346 2.973 5 1 EFBF COc1ccc2nc3[nH]c(=N[C@H](C)c4ccccc4)nc(O)c3nc2c1 1857749777 SLOATFLPHXJTDE-LLVKDONJSA-N 347.378 2.882 5 1 EFBF Cc1nn(C)c2nc3ccc([N+](=O)[O-])cc3c(NCCCN(C)C)c12 169325929 OLBNXJRISWAGMV-UHFFFAOYSA-N 342.403 2.702 5 1 EFBF CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 66259945 JDHQHAIETBPTRW-UHFFFAOYSA-N 346.339 2.926 5 1 EFBF O=C(NCCc1cccs1)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8829396 ZPHLMTLVXVUTHN-OAHLLOKOSA-N 345.380 2.508 5 3 EFBF CS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2c1 587650830 UWJCYJOWFKXLFK-UHFFFAOYSA-N 332.337 2.852 5 1 EFBF O=C(O)c1cccnc1SCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586966938 MGVZUAHKTWIBNA-UHFFFAOYSA-N 348.315 2.996 5 1 EFBF COc1c(OC)c(OC)c2c(=O)c3cc(O)ccc3oc2c1OC 14648844 ZWWXQTBFNGKXIT-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic CC1=NC(=S)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)C 101739677 TZMYRDILZSQPJW-CHWSQXEVSA-N 335.385 2.553 5 1 EFBF CCOC(=O)[C@H](C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 100376871 KUUJTAUBFSBFAA-JFIYKMOQSA-N 346.447 2.646 5 1 EFBF in-man COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 587275632 FCXSYTLVUSOULB-SSDOTTSWSA-N 349.734 2.717 5 1 EFBF COc1c(OC)c(OC)c2c(=O)c3c(O)cccc3oc2c1OC 35032239 UCQGYGZMFYUAGY-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic O=[N+]([O-])c1cnc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 587125375 DRXFNRYKFBICNB-UHFFFAOYSA-N 330.266 2.806 5 1 EFBF Nc1nc2c(s1)-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2 45366264 YARIHEYYGBAEDE-UHFFFAOYSA-N 340.368 2.933 5 1 EFBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1c(=O)oc(=O)c2ccccc21 587648546 HVVDKSNURXLKRI-UHFFFAOYSA-N 337.291 2.642 5 1 EFBF CC[C@H](CO)NCc1cccc2c(=O)c3ccc(OC)cc3oc12 95587711 FSZDKNHVUIBZGG-CYBMUJFWSA-N 327.380 2.815 5 1 EFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(CCO)cc2[nH]1 587158763 IGMFJRMQNVOWOB-UHFFFAOYSA-N 331.303 2.724 5 1 EFBF CN(C)Cc1nc2cc([N+](=O)[O-])c3oc4ccccc4c(=O)c3c2[nH]1 29057112 XGVKNPJDAJVAGU-UHFFFAOYSA-N 338.323 2.792 5 1 EFBF O=C(OCc1cccc2c1CCOC2=O)c1cccc([N+](=O)[O-])c1 299856526 JJOBXUZBXWPEHM-UHFFFAOYSA-N 327.292 2.665 5 1 EFBF COc1cc2c3c(c1)O[C@H](COc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431446 FHWZLLSSULFURK-GDBMZVCRSA-N 341.319 2.798 5 1 EFBF Cc1ccn2c(CN(C)C)c(-c3cc([N+](=O)[O-])c(O)cc3O)nc2c1 103214674 HDPHWKYQKGOEBF-UHFFFAOYSA-N 342.355 2.691 5 1 EFBF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 104000555 ZFMYGSLBBBHJEJ-BSHRGCEOSA-N 329.316 2.688 5 1 EFBF O=[N+]([O-])c1ccc2c3n([n+]([O-])c2c1)CCN=C3c1ccc(Cl)cc1 36383481 DVAPOYOVCOHQFT-UHFFFAOYSA-N 342.742 2.687 5 3 EFBF CN(C)CCNC(=O)c1cccc2c1Oc1cccc([N+](=O)[O-])c1O2 1629054 GZKYOYRAMYSUQF-UHFFFAOYSA-N 343.339 2.784 5 1 EFBF C[N+]1(CCCOC(=O)C2(c3ccccc3)CCCC2)CCOCC1 3635325 XPMQTSQXLSWAAZ-UHFFFAOYSA-N 332.464 2.909 5 3 EFBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587231033 QQBHVNGRRRVEQD-NWDGAFQWSA-N 346.387 2.508 5 1 EFBF COc1ccc(N2C(=O)[C@@H](OC)[C@H]2c2ccccc2[N+](=O)[O-])cc1 1772618090 CYPMXGFYZHPLNF-CVEARBPZSA-N 328.324 2.706 5 1 EFBF CN(C)CCNC(=O)c1cc2c3cnccc3n(C)c2c2cccnc12 96921184 NVYQHNMJDNJPCO-UHFFFAOYSA-N 347.422 2.566 5 1 EFBF COc1cc2c3c(c1)O[C@]1(Cc4ccc([N+](=O)[O-])cc4C1)[C@@H](C2)C3=O 587433087 NILPZHCDGBLGBO-KXBFYZLASA-N 337.331 2.888 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3cn[nH]c3cc2[nH]1 587270656 PXBNBOYYBCPDCE-UHFFFAOYSA-N 337.295 2.739 5 1 EFBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](CO)C1 82081282 QYAZQZUMQSDPET-NSHDSACASA-N 347.396 2.563 5 1 EFBF Nc1ncc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587267689 DDFDWCLBFZPRKQ-UHFFFAOYSA-N 325.115 2.817 5 1 EFBF COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(C)nn2c1C=O 73140005 VYGTUOKCWVVINX-UHFFFAOYSA-N 348.340 2.504 5 1 EFBF CC[C@@H](CO)NCc1cccc2c(=O)c3ccc(OC)cc3oc12 95586038 FSZDKNHVUIBZGG-ZDUSSCGKSA-N 327.380 2.815 5 1 EFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(O)c2[nH]1 587119133 YPMKMTZGJXPVBK-UHFFFAOYSA-N 341.249 2.749 5 1 EFBF Cc1ccc(CNC(=O)[C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1 8666507 IODRJNKGKAZISV-QGZVFWFLSA-N 339.351 2.713 5 3 EFBF Cc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2n1 587119125 YLKLIQCGZBKVKJ-UHFFFAOYSA-N 340.265 2.747 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3ccc4ncccc4c3nc12 27849013 DRTBQMWANUBJEP-UHFFFAOYSA-N 345.406 2.623 5 1 EFBF CC(C)Cc1ccc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCC(=O)O)c12 299869327 UKNHCKVMEDWMAH-UHFFFAOYSA-N 334.328 2.990 5 1 EFBF Cc1cc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2cc1[N+](=O)[O-] 586961830 MFIKLTNSTCNXCO-ZETCQYMHSA-N 346.372 2.711 5 1 EFBF O=c1nc2n(-c3ccccc3F)c3ccc(Cl)cc3cc-2c(=O)[nH]1 96286465 JCQRDHZYTHADIZ-UHFFFAOYSA-N 341.729 2.971 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4cccc(N)c4c(c23)C1=O 27555292 KJDQEAYPSNOTSK-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF C[C@H](Cc1ccccc1)N(C)Cc1nc([C@@H]2CC[C@@H]([N+](=O)[O-])O2)no1 31853980 JXNOGAWCEGEVMX-INWMFGNUSA-N 346.387 2.587 5 1 EFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3c(cc2[nH]1)OCCO3 587159790 YVSXSZWSMTWHNU-UHFFFAOYSA-N 345.286 2.960 5 1 EFBF Cc1sc2c(c1C)CCN[C@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963004346 BZJMDUWIPNEOTG-MRXNPFEDSA-N 332.381 2.747 5 1 EFBF Oc1nnc2c3cc(CN4CC[C@H](O)C4)ccc3oc3cccc1c32 34658881 NTFPSEQXKLIITP-LBPRGKRZSA-N 335.363 2.801 5 1 EFBF COC(=O)c1nn(C(=O)c2cccc(C)c2)c2cc([N+](=O)[O-])ccc12 96273853 ZOKSKHWGOAWJSA-UHFFFAOYSA-N 339.307 2.728 5 1 EFBF C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275245 ALABTWMRKXIHMG-LURJTMIESA-N 336.695 2.839 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4c(O)cccc4c(c23)C1=O 27557782 LJKXNZMCUJHMAV-UHFFFAOYSA-N 334.375 2.856 5 1 EFBF CC(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 49034737 UITXLROHXQQPOG-UHFFFAOYSA-N 344.348 2.989 5 1 EFBF C[C@@H]1OC[C@H]2[C@@H]3C=C4C(=Nc5ccccc54)[C@H](C[C@H]2[C@@H]1CO)[N+]3(C)[O-] 95587216 QBRLCJAKAJZYTI-YJJBEWBRSA-N 340.423 2.515 5 1 EFBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434421 UYTODYVJCWQOAR-SGTLLEGYSA-N 340.335 2.848 5 1 EFBF O=C(/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1 587167597 WNIUCQDWLGITKW-AATRIKPKSA-N 327.275 2.657 5 1 EFBF Cc1cc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c(C)n1 587093150 WLYUFZYLTJMFQI-UHFFFAOYSA-N 340.265 2.909 5 1 EFBF Nc1ccc2c3c1sc1ccccc1c3nn2CCNCCO 29319769 ZPOFDGMTTXQYKU-UHFFFAOYSA-N 326.425 2.568 5 1 EFBF O=C(NC(=O)c1nc2cc(F)ccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1 103289213 NJRYUKMWLBDNHE-UHFFFAOYSA-N 343.274 2.572 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587273158 FJGMQYGRRIYFFW-UHFFFAOYSA-N 327.131 2.726 5 1 EFBF C/C=C/COC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719557 BEVKUYCUIZIZOA-JKWAOEONSA-N 331.328 2.556 5 1 EFBF COc1cc2c(cc1O)C[C@H]1c3cc(OC)c(O)cc3CC[N@@+]1(C)C2 2356322430 DTWYSWAVTTYGRK-KKSFZXQISA-O 342.415 2.915 5 1 EFBF N[C@@H]1CC[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1 587247010 SCCSDYBWCGXVDE-POYBYMJQSA-N 325.166 2.828 5 1 EFBF COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1OC 587270793 OZYCNHKSTAWUDL-LBPRGKRZSA-N 342.355 2.731 5 1 EFBF O=C(/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1 587167598 WNIUCQDWLGITKW-WAYWQWQTSA-N 327.275 2.657 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041707 OWESZNAGELEOBT-KBPBESRZSA-N 341.396 2.812 5 1 EFBF O=C(Cc1ccccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O 587652718 FZLUNOHDBCNVKV-UHFFFAOYSA-N 343.726 2.841 5 1 EFBF COc1ccc([C@H](O)[C@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587934064 AOBKWFJNJSJVDA-BJOHPYRUSA-N 328.328 2.712 5 1 EFBF Nc1ncc(-c2nc3cccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268198 NXYNBYGXLWYXJE-UHFFFAOYSA-N 334.133 2.878 5 1 EFBF COCCNc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-] 587264176 BYPOPLZHCCDFKL-UHFFFAOYSA-N 327.344 2.900 5 1 EFBF O=[N+]([O-])c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1F 587269632 XBRKYGJTCXDRSH-UHFFFAOYSA-N 332.251 2.526 5 1 EFBF CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 587952763 WYASRABZACDYRO-XSRFYTQQSA-N 334.376 2.944 5 1 EFBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccnc1 587649708 XQMLPFIMVYBIHM-UHFFFAOYSA-N 339.307 2.879 5 1 EFBF C[C@@H](O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 29127712 HJCMUYCNEHDUSS-LLVKDONJSA-N 325.324 2.881 5 1 EFBF COc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269101 GEOFOYGIEKBCJO-UHFFFAOYSA-N 336.311 2.727 5 1 EFBF COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1NCCc2c(C)ccnc21 963069330 DOTRCYRHELSZRC-MRXNPFEDSA-N 329.356 2.551 5 1 EFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc([N+](=O)[O-])c(O)c12 13738754 FFPHFTTZXCTNMC-UHFFFAOYSA-N 328.236 2.982 5 1 EFBF Cc1nc(N[C@H]2CC=CC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821466 LZMXEGIDZRPZTR-MFKMUULPSA-N 328.376 2.954 5 1 EFBF O=[N+]([O-])/C=C(\CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 6001986 GQODURQXCRUTAV-UKTHLTGXSA-N 347.348 2.507 5 1 EFBF C[N+](C)(C)CCNC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 27715065 ZDMKNPKYHQWQQV-UHFFFAOYSA-O 343.234 2.683 5 1 EFBF COc1ccc(/C=C/C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 72179014 VARSGERYRPDNCH-LZGFCCKTSA-N 345.355 2.753 5 1 EFBF COc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Cl 587274708 ZKXSVLUAJCQNML-UHFFFAOYSA-N 335.751 2.962 5 1 EFBF Cc1ncsc1CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587027421 FFKCDPSNBLDCGN-UHFFFAOYSA-N 333.329 2.929 5 1 EFBF COc1cc(OCc2nc3c(Cl)ncnc3[nH]2)ccc1[N+](=O)[O-] 587262890 HCXBVGZFDYLOKZ-UHFFFAOYSA-N 335.707 2.502 5 1 EFBF COCCOc1ccc(-c2nc3cc(F)cnc3[nH]2)cc1[N+](=O)[O-] 587264844 KPWLDVAKARUIRP-UHFFFAOYSA-N 332.291 2.697 5 1 EFBF C[N+]1(C)[C@H]2CC[C@H]1[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCC1)C2 114013924 GIQCKBPBJOZAKR-IWFBPKFRSA-N 344.475 2.987 5 1 EFBF O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1 36184968 VBIYDORVDCFKHM-UHFFFAOYSA-N 340.339 2.579 5 1 EFBF C[C@H]1CCC[C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C 5020847 WBFVHGCBIJYBMI-AXFHLTTASA-N 340.401 2.754 5 1 EFBF Cc1cccc2c1c(=O)c1ccccc1n2C[C@H](O)CN1CCCC1 43020257 XOXPGNSILIVIHU-MRXNPFEDSA-N 336.435 2.920 5 1 EFBF O=CNc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)O 587647049 NWGKOPFVGZVMOO-UHFFFAOYSA-N 339.307 2.939 5 1 EFBF COc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](N)C(C)(C)O2 28705829 DVUDGIZGJOFNPP-HNNXBMFYSA-N 325.364 2.996 5 1 EFBF Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc12 587262742 HUQAHEMKWXHUKU-FKTZTGRPSA-N 336.779 2.580 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 587267184 GKSWSRPDWXGUQK-SNVBAGLBSA-N 343.343 2.747 5 1 EFBF NC(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587242572 USOPUVWUXBFGRL-UHFFFAOYSA-N 342.271 2.537 5 1 EFBF O=[N+]([O-])c1cn2c(c1CS(=O)(=O)Cc1ccccc1)CCCC2 1772622811 YUZATALEQIEJFO-UHFFFAOYSA-N 334.397 2.848 5 1 EFBF CNCCNC(=O)c1cc2c3ccccc3n(C)c2c2cccnc12 96921193 KAGWEKGFIPQEMI-UHFFFAOYSA-N 332.407 2.829 5 1 EFBF CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(C)cc1 587216519 CZWPCVMAGMFGSS-AWEZNQCLSA-N 339.355 2.594 5 1 EFBF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc([N+](=O)[O-])c1O2 84727557 UFXIFFFPJMTXJB-JEIZZZKLSA-N 335.356 2.784 5 1 EFBF O=c1[nH]c2cc3ccccc3cc2nc1-c1nnnn1C1CCCC1 95571014 SBUBHACETLZRAF-UHFFFAOYSA-N 332.367 2.845 5 1 EFBF NC1CC(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1 587255360 LZMRFSATAZOELW-UHFFFAOYSA-N 325.166 2.513 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265668 XJIPDRKRQJRXOM-IJLUTSLNSA-N 344.415 2.916 5 1 EFBF Cn1cc(C2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)c2ccccc21 13447862 LQYAEVHUTDICIN-UHFFFAOYSA-N 347.330 2.654 5 1 EFBF CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2c(noc2C)C[C@@]1(C)O 4143741 QFIOBYZYLDTUAR-IXDOHACOSA-N 330.340 2.535 5 1 EFBF CN(C)CCNC(=O)c1cc2c3cccnc3n(C)c2c2cccnc12 96921186 JDLZNPPNSVWSIN-UHFFFAOYSA-N 347.422 2.566 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@H]1C[N+](=O)[O-] 587264440 RPSSFXOZJRDSAQ-RTXFEEFZSA-N 338.367 2.772 5 1 EFBF COC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1OC 587268839 LZRBMKYYHPSEEE-UHFFFAOYSA-N 331.284 2.835 5 1 EFBF O=[N+]([O-])c1cc(-c2nc3cccc(O)c3[nH]2)nn1CC(F)(F)F 587092574 RTIXABMDFOODEY-UHFFFAOYSA-N 327.222 2.603 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264799 TVTMQRWYTYCNFG-GJMOJQLCSA-N 341.289 2.641 5 1 EFBF COc1c(O)ccc([C@@H]2NCCc3cc(C)c(F)cc32)c1[N+](=O)[O-] 962141351 BYMUXTBUBKALFR-HNNXBMFYSA-N 332.331 2.992 5 1 EFBF O=[N+]([O-])c1cc(N[C@H]2CCN(CCc3ccccc3)C2)ccc1CO 1857775163 CBVUZUWANXYEHJ-SFHVURJKSA-N 341.411 2.816 5 1 EFBF CCn1cc(C(N)=O)c(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc21 6425920 CJKFGTKREKSHGM-UHFFFAOYSA-N 337.335 2.696 5 1 EFBF C[N+]1(CCS(=O)(=O)Cc2ccc(Br)cc2)CCCC1 103249144 PYDJSXIQNMYEIX-UHFFFAOYSA-N 347.298 2.604 5 1 EFBF Cc1nc(NCc2ccc(F)cc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821411 YBEOBUAYNIUWON-UHFFFAOYSA-N 342.334 2.939 5 1 EFBF Cc1nc(N2CCCCC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 40379231 YVASNLCMRRBVMZ-UHFFFAOYSA-N 328.372 2.973 5 1 EFBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587230058 GNTCTJHHVICBCK-STQMWFEESA-N 346.387 2.508 5 1 EFBF O=C1COc2cc3[nH]c(-c4cc(F)cc([N+](=O)[O-])c4)nc3cc2N1 587160145 IXBOTIHYUPKMPA-UHFFFAOYSA-N 328.259 2.608 5 1 EFBF CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc([N+](=O)[O-])o1 84670301 DPUHMNSQGQZHFB-OAHLLOKOSA-N 330.340 2.678 5 1 EFBF COc1ccc2c(=O)c3cccc(CN(C)[C@@H](C)CO)c3oc2c1 95592531 SGIXSJNGIJDCRK-LBPRGKRZSA-N 327.380 2.767 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430818 BWMZRSJPDURAOV-GTNSWQLSSA-N 326.308 2.674 5 1 EFBF CCCCCCO[C@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O 28963128 UGVQDRKDFRLDAC-OAHLLOKOSA-N 347.371 2.658 5 1 EFBF O=C(NC1Cc2ccccc2C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 26386910 QRYXYPHPKTUDIQ-UHFFFAOYSA-N 349.346 2.542 5 1 EFBF COCn1c2ccccc2c(=O)c2c(OC)c(OC)c(OC)cc21 14774889 RVFSXHMVSWIGES-UHFFFAOYSA-N 329.352 2.784 5 1 EFBF biogenic,in-vitro CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC1CCCC1 169719437 DUTOIEMVMPQCQJ-HUUCEWRRSA-N 345.355 2.922 5 1 EFBF Cc1cc(=NCc2nc(Cl)cnc2N)[nH]c2ccc([N+](=O)[O-])cc12 473157270 UYVLDOBZMXRQQC-UHFFFAOYSA-N 344.762 2.511 5 1 EFBF O=[N+]([O-])c1cncc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040983 LDZXDELQZSCRTR-TZMCWYRMSA-N 341.396 2.812 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3nc(Cl)c[nH]c-3n2)c1 587262667 VZTZXOFLOPITJA-UHFFFAOYSA-N 333.735 2.796 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Cl)ccnc4[nH]3)nn2)c1 587270180 RJDLCMOMVMIRGD-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF COc1c(C)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34 95485957 WIDSIKIEQMLLRU-UHFFFAOYSA-N 328.276 2.522 5 1 EFBF biogenic,in-vitro Cc1ccc(C(=O)Cc2cc(C(=O)O)c(C(=O)O)cc2[N+](=O)[O-])cc1 653854689 ZJTIHOFQNAHLQJ-UHFFFAOYSA-N 343.291 2.725 5 1 EFBF COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260941 MJSMUNFOGGXNHL-UHFFFAOYSA-N 343.295 2.854 5 1 EFBF O=c1c2ccccc2oc2cc(OC[C@H]3CO3)cc(OC[C@@H]3CO3)c12 28822786 BQZYEEUSHBBBGK-STQMWFEESA-N 340.331 2.501 5 1 EFBF COc1cc(O)c2c(=O)c3c(OC)c(OC)cc(OC)c3oc2c1 14648942 IPMYWABRPFNURT-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic Cn1nc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510587 BKLJVQCSZFGHDQ-OAHLLOKOSA-N 327.340 2.914 5 1 EFBF COc1ccc([C@H](O)[C@@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587934067 AOBKWFJNJSJVDA-RFAUZJTJSA-N 328.328 2.712 5 1 EFBF Nc1nc2oc3ccc(C4CCOCC4)cc3c(=O)c2cc1C(=O)O 1857769820 SXKYBRCNSCMDKA-UHFFFAOYSA-N 340.335 2.516 5 1 EFBF O=[N+]([O-])c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025255 JZRFXGGMCLFFCP-UHFFFAOYSA-N 325.400 2.904 5 1 EFBF CCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1857643886 AZRMWBKZQPJZOV-UHFFFAOYSA-N 326.334 2.506 5 1 EFBF Cc1ccc(N2C(=O)CS[C@@H]2C2=CCCN(C)C2)c([N+](=O)[O-])c1 45301080 CPGGZLPXALXTDJ-MRXNPFEDSA-N 333.413 2.571 5 1 EFBF Cc1cc2c(O)nc(O)nc2nc1-c1c[nH]c2ccc([N+](=O)[O-])cc12 587554169 JNEUTXDGXLKLRY-UHFFFAOYSA-N 337.295 2.801 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)cc([N+](=O)[O-])c1O)O2 587389182 JMONJIQQNNLFKX-OAHLLOKOSA-N 342.307 2.710 5 1 EFBF COc1cc(/C=C/c2nnc(-c3cc([N+](=O)[O-])cn3C)o2)ccc1O 103287108 YZVXYDHSVOMWEE-GQCTYLIASA-N 342.311 2.868 5 1 EFBF COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587938503 WQTCFTWNOSDWSV-YMTOWFKASA-N 328.328 2.712 5 1 EFBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586964071 UEOKKMGTNMBJOK-SNVBAGLBSA-N 346.372 2.914 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041710 OWESZNAGELEOBT-ZIAGYGMSSA-N 341.396 2.812 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 586996239 CAKOKGZFWYVJOU-LLVKDONJSA-N 349.144 2.710 5 1 EFBF COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587149128 PWXSVXIFFIUAOZ-UHFFFAOYSA-N 345.286 2.976 5 1 EFBF O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1c(O)[nH]c2ccccc12 18061542 CVSMJDNDPRPGIX-UHFFFAOYSA-N 343.270 2.742 5 1 EFBF Cc1nc([N+](=O)[O-])nn1C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 18169251 GCXVVAXZOUZPFA-ASZHBFLOSA-N 341.209 2.938 5 1 EFBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1C 587262212 GFITZUVOWUAMNG-USWWRNFRSA-N 331.372 2.540 5 1 EFBF COc1cc(OC)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-] 1625757 KWQZQFOEUWECNJ-UHFFFAOYSA-N 334.376 2.524 5 1 EFBF Cc1cc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-] 587267226 HFOANZMEYOTHDG-VIFPVBQESA-N 330.304 2.802 5 1 EFBF CCCc1c(O)ccc2c1O[C@](C)(Cn1ccc([N+](=O)[O-])n1)CC2=O 587471797 VCLSLNVUOCVHEJ-KRWDZBQOSA-N 345.355 2.874 5 1 EFBF CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(C)cc1 587216520 CZWPCVMAGMFGSS-CQSZACIVSA-N 339.355 2.594 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)O2 587389838 NKFHCGFZPMKFJJ-QGZVFWFLSA-N 344.371 2.723 5 1 EFBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@]1(C)CO1)O2 14682377 BBNDPXOGORGETN-LIRRHRJNSA-N 340.331 2.753 5 1 EFBF biogenic,in-vitro CCOC(=O)Cc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 40423078 MYUCQQGROQVAET-UHFFFAOYSA-N 329.308 2.920 5 1 EFBF COC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587391908 ZXCKGXOWSOWFNZ-SFHVURJKSA-N 342.351 2.993 5 1 EFBF CN(c1ccc2cc3ccc4c(c3nc2c1)COCN4)S(C)(=O)=O 28088350 UGJLAKMDSVHZOQ-UHFFFAOYSA-N 343.408 2.683 5 1 EFBF COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@+]2(C)[O-])cc1O 257455401 JLMWCKYUUMRSRK-YWZLYKJASA-N 345.395 2.899 5 3 EFBF CCc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587263513 BBVUGWUACCKUBU-LBPRGKRZSA-N 326.356 2.982 5 1 EFBF O=[N+]([O-])c1cncc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587165369 SKHGSAHDSOBLCQ-UHFFFAOYSA-N 338.302 2.917 5 1 EFBF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587513956 VVRIUZJXLSOBSA-HNNXBMFYSA-N 327.340 2.914 5 1 EFBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587784267 GQJIEDIMGDYFBH-QWHCGFSZSA-N 338.323 2.810 5 1 EFBF COC(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])ccc3n2C)cc1 103186807 UHNSXWVRIOIJKW-UHFFFAOYSA-N 341.323 2.847 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=N)N)cc3[nH]2)c1 587262461 UNJKXVUQXHHNPC-UHFFFAOYSA-N 339.355 2.685 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587274955 XTHUHJHIFOSHFK-UHFFFAOYSA-N 329.213 2.581 5 1 EFBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Br)cc2)n1CCO 103255952 JRNCYPJKYJQPFM-ZZXKWVIFSA-N 338.161 2.717 5 1 EFBF CC1(C)OC(=O)C(c2nc3c4cccnc4c4ncccc4c3[nH]2)=C1N 587255218 JCZAWPWCQRSEOC-UHFFFAOYSA-N 345.362 2.665 5 1 EFBF O=C(O)/C=C/C=C/c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587966940 ZONQDJLTHMYWOG-ZPUQHVIOSA-N 338.117 2.888 5 1 EFBF Cc1cc(C)n(Cc2n[nH]c(=S)n2-c2ccc([N+](=O)[O-])cc2)n1 103276306 FLUUIZSZHGOSGO-UHFFFAOYSA-N 330.373 2.700 5 1 EFBF COc1cc(OC)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587268250 YXJAJVASXKCKTL-VIFPVBQESA-N 331.332 2.603 5 1 EFBF Cc1cc(Nc2ccccc2C(=O)O)nc2nc3ccccc3c(=O)n12 75482 AEUYWXCVWXOJFV-UHFFFAOYSA-N 346.346 2.993 5 3 EFBF O=C1c2cc(N3CCCC3)c([N+](=O)[O-])cc2C(=O)N1c1ccccc1 4686362 HGBJMRZIBQXRLK-UHFFFAOYSA-N 337.335 2.996 5 3 EFBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432343 JNGVVJUYMWCEHZ-SGTLLEGYSA-N 341.319 2.972 5 1 EFBF Cn1cc(-c2ncc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)s2)cn1 587022040 SZVDQNVZTMYNFD-UHFFFAOYSA-N 326.341 2.995 5 1 EFBF O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)Nc1ccncc1 169351031 WYSDGZBHSNJSFE-AWEZNQCLSA-N 344.352 2.796 5 1 EFBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587230056 GNTCTJHHVICBCK-OLZOCXBDSA-N 346.387 2.508 5 1 EFBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(O)cc12 95944571 JTTRGCDSKZRQPP-PRQFWUQUSA-O 339.459 2.885 5 1 EFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccc(F)cc1 72177717 GGOWRLOWQBUTAE-AYLMVEPYSA-N 333.319 2.884 5 1 EFBF COc1ncc(F)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587175549 FINSXRAWQGFZLW-UHFFFAOYSA-N 333.235 2.589 5 1 EFBF O=[N+]([O-])c1cc(N[C@@H]2CCN(CCc3ccccc3)C2)ccc1CO 1857775162 CBVUZUWANXYEHJ-GOSISDBHSA-N 341.411 2.816 5 1 EFBF COc1cccc2c(=O)c3c(OC)cc(OC[C@@H]4CO4)cc3oc12 64479813 SICXHZMXDIKWAF-LLVKDONJSA-N 328.320 2.741 5 1 EFBF Cc1cn(-c2nc(N(C)Cc3ccccc3)nc(C)c2[N+](=O)[O-])cn1 84620867 PUVDUXQNZPRMKF-UHFFFAOYSA-N 338.371 2.824 5 1 EFBF COc1cc2c(cc1O)CC[N+]1(C)Cc3c(ccc4c3OCO4)C[C@@H]21 238787417 CDUQMLHFKFKVBC-BJQOMGFOSA-O 340.399 2.930 5 1 EFBF COCCOc1ccc(-c2nc3cc(C)cnc3[nH]2)cc1[N+](=O)[O-] 587264249 FFSVKBKFVDDUEV-UHFFFAOYSA-N 328.328 2.867 5 1 EFBF CS(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 586950762 LITXYTHSAKHIPO-UHFFFAOYSA-N 332.341 2.510 5 1 EFBF COc1cccc(Oc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)c1 473150568 MNCWVCGDSFWTPZ-UHFFFAOYSA-N 338.341 2.767 5 1 EFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587265671 XJIPDRKRQJRXOM-UTUOFQBUSA-N 344.415 2.916 5 1 EFBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])nn1C)CC2=O 587469316 COZFWXDYQDEONJ-AWEZNQCLSA-N 331.328 2.693 5 1 EFBF O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27212881 XPQNOYOCHUHFCC-UHFFFAOYSA-N 341.298 2.714 5 1 EFBF COc1ccc(NC(=O)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 73141414 PAGDKRXEDWTJII-UHFFFAOYSA-N 339.307 2.906 5 1 EFBF COc1ccccc1/C=C/C(=O)O[C@@H](C)Cn1c([N+](=O)[O-])cnc1C 72176580 VSVUXSLTKHNYSN-BCPZQOPPSA-N 345.355 2.753 5 1 EFBF O=C1NN=C2C=C(c3ccc(O)cc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12 299838331 QDQMUJLVINBCIW-WMZOPIPTSA-N 349.346 2.973 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)O)cc2[nH]1 587267922 IMIBKVMJJNOSEP-UHFFFAOYSA-N 329.316 2.538 5 1 EFBF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587117985 YSEKMSULLACXAO-UHFFFAOYSA-N 346.656 2.939 5 1 EFBF O=c1ccccn1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 26741746 LDVYSAOVCQXJQP-UHFFFAOYSA-N 334.278 2.716 5 1 EFBF O=[N+]([O-])c1ncn(CCCNc2nc3ccc(Cl)cc3s2)n1 96938749 PEBHVJGNEMQLKY-UHFFFAOYSA-N 338.780 2.952 5 1 EFBF O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@H]1[N+](=O)[O-] 299807679 NWFOGEPIYXJXFZ-OPQQBVKSSA-N 330.768 2.861 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)ncc2[nH]1 587269454 NSXCJNAGSCSKKK-UHFFFAOYSA-N 332.703 2.911 5 1 EFBF COC1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4123743 KRNGHXQYXMLRDK-ULQDDVLXSA-N 338.367 2.994 5 1 EFBF C[N+]1(C)[C@H]2CC[C@H]1[C@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 111454807 GIQCKBPBJOZAKR-CTAFRAEOSA-N 344.475 2.987 5 1 EFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587274897 VXQYFNOPXSZQCM-UHFFFAOYSA-N 336.695 2.586 5 1 EFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)c([N+](=O)[O-])cc12 13738749 CAVBJIVSGBUJOV-UHFFFAOYSA-N 328.236 2.982 5 1 EFBF CN1CCN(c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 28955792 RDPPMOCXKWPZLB-UHFFFAOYSA-N 326.400 2.959 5 1 EFBF Cc1cc(N(C)Cc2nc3cc(N)c(N)cc3[nH]2)c([N+](=O)[O-])cc1F 587136698 JFDCSCIXZOJHEV-UHFFFAOYSA-N 344.350 2.719 5 1 EFBF O=[N+]([O-])c1cccnc1NCc1nc2cc3c(cc2[nH]1)OCCCO3 587269244 UJFUEQGFIUOMFP-UHFFFAOYSA-N 341.327 2.640 5 1 EFBF O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@H]1[C@H]2CC[C@@H]1[C@@H]1O[C@@H]1C2 17214314 JDULDANUKPNHRN-MSIYKJJWSA-N 349.299 2.617 5 1 EFBF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73195958 UXIXJRMKUKQIIV-OAHLLOKOSA-N 347.352 2.904 5 1 EFBF CCCc1c(O)ccc2c1O[C@@](C)(Cn1ccc([N+](=O)[O-])n1)CC2=O 587471798 VCLSLNVUOCVHEJ-QGZVFWFLSA-N 345.355 2.874 5 1 EFBF Nc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)NC2=O)o1 38266657 VLFRYVDGGZBPTG-SDQBBNPISA-N 331.309 2.761 5 1 EFBF CN(C)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12 31852800 BXUJQSDKGQJJRF-UHFFFAOYSA-N 325.372 2.682 5 1 EFBF C[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173357 BXLPTIKUDGXMSV-INIZCTEOSA-N 342.286 2.634 5 1 EFBF CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 13446305 GTBMZFRUDYKTGG-QGZVFWFLSA-N 333.432 2.716 5 1 EFBF COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587388424 BIEUIXZBIWXMHL-CYBMUJFWSA-N 329.312 2.596 5 1 EFBF C[N@+]1([O-])[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 263591792 VCOKKGOVVPZMFF-YVWYUNDQSA-N 339.347 2.983 5 3 EFBF C/C(=C/Cc1ccc2oc3cc(C)cc(CO)c3c(=O)c2c1O)CO 205742983 JYCKCQUXMHGSKQ-JYOAFUTRSA-N 340.375 2.934 5 1 EFBF Cc1nn(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C(=O)O 1857647150 WQLTVSVOUPTILH-UHFFFAOYSA-N 330.344 2.777 5 1 EFBF CCCCOC[C@@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 28713295 GEQKIQSZSGEDDI-INIZCTEOSA-N 344.415 2.738 5 1 EFBF in-vitro Cc1cc(C)cc(C(=O)c2cn(-c3ccc([N+](=O)[O-])cc3O)nn2)c1 220580607 DMJZTAZYXZLVRS-UHFFFAOYSA-N 338.323 2.729 5 1 EFBF Cc1cc(C)n2c(=O)c3ncc(N[C@@H]4CCCC[C@@H]4N)cc3nc2c1 299868263 ZMIRZHZRWMTMJP-LSDHHAIUSA-N 337.427 2.541 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)O2 587390970 TWBLQBRLTKGANY-AWEZNQCLSA-N 342.307 2.921 5 1 EFBF O=C1[C@@H]2CCCN2[C@@H](c2ccc(O)cc2)N1c1ccc([N+](=O)[O-])cc1 1857589510 AMLFSVHQYPHJKO-DLBZAZTESA-N 339.351 2.810 5 1 EFBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H]2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 114014827 GIQCKBPBJOZAKR-XODKDNOYSA-N 344.475 2.987 5 1 EFBF C[N+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 13111061 CZOWFUDDKUCISC-BUWRGNEYSA-N 332.420 2.981 5 1 EFBF COc1cc2oc3ccc(O)c(OC)c3c(=O)c2c(OC)c1OC 14648923 MITJOFUCKSFABR-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic CC[C@H]1[C@@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 238762633 YNCJDBRZKNLHIH-CYDXWDMWSA-N 340.423 2.924 5 1 EFBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1c(=O)oc(=O)c2ccccc21 587648553 ICPKMJJBSAMNKK-UHFFFAOYSA-N 337.291 2.642 5 1 EFBF Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3cccc(C)c3)n2O)cc1 263592000 JLVKSLNMHYUVAS-UHFFFAOYSA-N 339.355 2.537 5 3 EFBF C[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C=C(c2ccccc2F)NO1 587157001 QNHWKFMPCKAOFB-INIZCTEOSA-N 341.302 2.796 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccnc(Cl)c4[nH]3)nn2)c1 587268955 FFIRADHIRLAIRB-UHFFFAOYSA-N 341.718 2.767 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(F)c2[nH]1 587275152 WYAKUQUBWIINGN-UHFFFAOYSA-N 340.112 2.773 5 1 EFBF Cc1nn(C)c2nc3cc([N+](=O)[O-])ccc3c(NCCCN(C)C)c12 169328095 GJSZMLMWYDHHCB-UHFFFAOYSA-N 342.403 2.702 5 1 EFBF O=[N+]([O-])c1cn2c(n1)SC[C@H](Oc1ccc(C(F)(F)F)cn1)C2 1857755575 FDELELQWDOFQOV-MRVPVSSYSA-N 346.290 2.758 5 1 EFBF O=C1NN=C2C=C(c3ccc(O)cc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 299838328 QDQMUJLVINBCIW-FUHWJXTLSA-N 349.346 2.973 5 1 EFBF O=C1CSC[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N1 587043457 QUFWLNIVHABXIG-NSHDSACASA-N 335.392 2.563 5 1 EFBF O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)cnc3[nH]2)n1 587274509 WXKJTFGKOFAAKX-UHFFFAOYSA-N 340.265 2.714 5 1 EFBF N[C@@H](Cc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O 587647688 MMFQDCMCLVXGNB-AWEZNQCLSA-N 325.324 2.698 5 1 EFBF COCCNc1ccc(-c2nc3cc(F)cnc3[nH]2)cc1[N+](=O)[O-] 587262055 NABQLDSSJDQVAL-UHFFFAOYSA-N 331.307 2.731 5 1 EFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587275202 ZCFZAUOTPIADMU-UHFFFAOYSA-N 327.222 2.770 5 1 EFBF Cc1ccc(CNC(=O)[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 8578681 UCTSNLDNOQKIHD-KRWDZBQOSA-N 339.351 2.713 5 3 EFBF CCN(C)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1 82214916 SEVQTXNURDGKCF-UHFFFAOYSA-N 343.387 2.600 5 1 EFBF O=c1nc(O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c-2n1 261113454 IJCDEQIKTKMDBV-UHFFFAOYSA-N 338.754 2.699 5 1 EFBF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587093883 HVUHEQOXKOPMED-YFKPBYRVSA-N 334.229 2.740 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)O2 587389980 OMIVEJUUBOPURY-HNNXBMFYSA-N 342.307 2.710 5 1 EFBF CN(C)CCN1C(=O)c2cccc3cc4c(N)cccc4c(c23)C1=O 27558219 NFCSJHIEEPOZIN-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF Cc1c(O)ccc2c1oc(=O)c1c(C)c(NS(C)(=O)=O)ccc12 28570346 YDPNHHGRSZZASJ-UHFFFAOYSA-N 333.365 2.640 5 1 EFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 587267484 KZXYJLLOOUWQIV-SSDOTTSWSA-N 340.265 2.999 5 1 EFBF C/C=C1/C[N+]2([O-])CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 13309605 GCPMRXAJJNYYIV-MFSHTFCESA-N 338.407 2.844 5 1 EFBF COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587787847 RSZFQRWMZAORGR-UHFFFAOYSA-N 340.339 2.999 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3c(nc12)oc1ccccc13 26171326 NLMHFPQMHPSYJD-UHFFFAOYSA-N 334.379 2.821 5 1 EFBF Cn1c(-c2nnc(N)s2)nc(Sc2ccccc2)c1[N+](=O)[O-] 27518391 PMGUWSUGVGZBGT-UHFFFAOYSA-N 334.386 2.580 5 1 EFBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](CO)C1 82081283 QYAZQZUMQSDPET-LLVKDONJSA-N 347.396 2.563 5 1 EFBF Cc1ccn2c(CN(C)C)c(-c3ccc(O)c([N+](=O)[O-])c3)nc2c1 103214670 QEOQGVFGGUEMIK-UHFFFAOYSA-N 326.356 2.985 5 1 EFBF NC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cncnc23)c1 73223825 WRIRTVYNDFTPPB-UHFFFAOYSA-N 344.330 2.642 5 1 EFBF Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587652315 BVDDYDKOCLUWFU-UHFFFAOYSA-N 343.726 2.955 5 1 EFBF CCCCOC[C@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 28713296 GEQKIQSZSGEDDI-MRXNPFEDSA-N 344.415 2.738 5 1 EFBF in-vitro O=C(O)CSc1ncccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1 586969270 UZQAASPIXDCIPU-UHFFFAOYSA-N 330.325 2.710 5 1 EFBF Cc1c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cccc1[N+](=O)[O-] 587261654 FKBFYVGLKHAOCN-UHFFFAOYSA-N 333.325 2.693 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(O)cc1O)O2 587391731 XWLRIWIAYAXCHT-HNNXBMFYSA-N 330.296 2.603 5 1 EFBF O=c1c2cc3cc4c(cc3nc2ncn1CCc1ccccc1)OCO4 203467119 RKRMNONXHXYDPC-UHFFFAOYSA-N 345.358 2.916 5 3 EFBF CC(=O)N1N=C(c2ccc(C)nc2)O[C@]1(C)c1ccc([N+](=O)[O-])cc1 96935265 WTDIQQJWLYWMMI-QGZVFWFLSA-N 340.339 2.711 5 1 EFBF CN(C)CCNC(=O)c1cccc2c(=O)c3ccccc3sc12 5957879 GSRITSVNVVVOBJ-UHFFFAOYSA-N 326.421 2.706 5 1 EFBF Cc1cc([N+](=O)[O-])nn1CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279941 VMEXWFDJWVAWOC-UHFFFAOYSA-N 330.256 2.637 5 1 EFBF CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])nn1C)CC2=O 587471159 ODTGVLFFUAJPLY-KRWDZBQOSA-N 345.355 2.867 5 1 EFBF O=[N+]([O-])c1cc2nc(CCc3cccc(O)c3)[nH]c2cc1[N+](=O)[O-] 586896755 XCVVYSQVCVDBTH-UHFFFAOYSA-N 328.284 2.870 5 1 EFBF Nc1nc2oc3cnc(C4=CCCCC4)cc3c(=O)c2cc1C(=O)O 1857766462 NEEUDSQELOSEMY-UHFFFAOYSA-N 337.335 2.974 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)OCO3 587268328 RMPVVZCBBWLPRA-UHFFFAOYSA-N 329.316 2.568 5 1 EFBF COCCOc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1[N+](=O)[O-] 587265174 LQRBTYMOEKRHSC-UHFFFAOYSA-N 349.734 2.558 5 1 EFBF C[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1cc([N+](=O)[O-])cn1 587875949 VZEQBCQOZZMRAF-MRVPVSSYSA-N 343.274 2.801 5 1 EFBF N[C@@H](Cc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(=O)O 587647289 FNCAWYNHFZZMLC-LBPRGKRZSA-N 325.324 2.698 5 1 EFBF CC(C)NC[C@@H](O)CON=c1c2ccccc2oc2ccccc12 169329023 OBQGEEZYBOOWTM-CQSZACIVSA-N 326.396 2.777 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])ccc1N)O2 587391664 WVDBXTVSXISUCX-QGZVFWFLSA-N 327.340 2.948 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587269543 PUCFGSFQLNTOJX-UHFFFAOYSA-N 342.267 2.771 5 1 EFBF COCCNc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1[N+](=O)[O-] 587264247 FBHCTPSDIOCQDE-UHFFFAOYSA-N 343.343 2.600 5 1 EFBF C[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C 587191329 LICLVXMLIRHLRN-ZETCQYMHSA-N 327.182 2.726 5 1 EFBF COc1cc(OC)c2c3c(n4c5ccccc5c(=O)n4c2c1)CCC3=O 1911580833 JZPJAVUBLJJAOO-UHFFFAOYSA-N 348.358 2.852 5 1 EFBF CC(C)Cc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCC(=O)O)c2c1 299871238 YDOJXMQPAVTJEP-UHFFFAOYSA-N 334.328 2.990 5 1 EFBF Cc1cc2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2cc1[N+](=O)[O-] 586927779 XMXJCEQMJHCHBS-UHFFFAOYSA-N 331.353 2.850 5 1 EFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587268368 TYZKAJGCYYTHJS-UHFFFAOYSA-N 347.306 2.677 5 1 EFBF C[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276019 HVYHHDFOIFAFQY-RXMQYKEDSA-N 327.131 2.979 5 1 EFBF O=[N+]([O-])c1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1 13778519 DCWROPQJULHSRR-UHFFFAOYSA-N 347.338 2.921 5 1 EFBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@]1(C)CO1)O2 45495042 ZVSRJTABTIUKJW-UZLBHIALSA-N 337.375 2.793 5 1 EFBF Cc1nc(N(C)C)ncc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587194838 PCIKRIJNJGZZHC-UHFFFAOYSA-N 332.751 2.956 5 1 EFBF O=[N+]([O-])c1cc(N[C@@H]2CCCN(Cc3ccccn3)C2)ccc1CO 1857767285 VNHUTIZQHCTBMM-QGZVFWFLSA-N 342.399 2.559 5 1 EFBF CC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(O)nn2)=C1O 26660338 UQYMXSXMXVSDNQ-UHFFFAOYSA-N 331.284 2.567 5 1 EFBF O=C(N[C@H]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1)c1ccccc1 28826672 UNNFVXRDDBTYDI-MAUKXSAKSA-N 342.351 2.829 5 1 EFBF O=c1cc2oc(-c3ccc([N+](=O)[O-])cc3)cc(O)c-2cc1[N+](=O)[O-] 169714022 LILIODOILPRCOZ-UHFFFAOYSA-N 328.236 2.934 5 1 EFBF COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)[O-])cc1O 13545532 JLMWCKYUUMRSRK-OOJLDXBWSA-N 345.395 2.899 5 1 EFBF C[S@@](=O)CCCCNC(=S)SCc1cccc([N+](=O)[O-])c1 1857609096 HTIULLHIFFASES-OAQYLSRUSA-N 346.499 2.861 5 1 EFBF C[C@@H]1OC[C@H]2[C@@H]3C=C4C(=Nc5ccccc54)[C@H](C[C@H]2[C@@H]1CO)[N@+]3(C)[O-] 299844828 QBRLCJAKAJZYTI-SAKOKNRDSA-N 340.423 2.515 5 1 EFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(F)c(F)c2[nH]1 587264112 ARVIHPXRQYBGPP-VIFPVBQESA-N 334.282 2.697 5 1 EFBF O=C1CSC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N1 587043456 QUFWLNIVHABXIG-LLVKDONJSA-N 335.392 2.563 5 1 EFBF COc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(Cl)cc1Cl 66078454 RDMQLXJTRCMDKA-SNVBAGLBSA-N 332.143 2.840 5 1 EFBF COc1cc(OC)c2oc3cc(OC)c(OC)c(O)c3c(=O)c2c1 14648868 FHSIUSRFRBSCKX-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF biogenic O=C1CSC[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N1 587042576 MPTRJOZMPBNORW-HNNXBMFYSA-N 335.392 2.563 5 1 EFBF O=C(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1cccc(F)c1 587164017 XEOVMVCVIBZPGY-UHFFFAOYSA-N 329.291 2.577 5 1 EFBF Cc1ccnc2c1CCN[C@]21COc2cc([N+](=O)[O-])ccc2SC1 963078016 VZRAAHILMGSASR-KRWDZBQOSA-N 343.408 2.824 5 1 EFBF O=C1[C@@H]2CCCN2[C@@H](Cc2ccccc2)N1c1ccc([N+](=O)[O-])cc1 1772612070 KMTVNLPVEAKXHV-ZWKOTPCHSA-N 337.379 2.975 5 1 EFBF COc1cc(OCc2nc3ccc(C(=O)O)cc3[nH]2)ccc1[N+](=O)[O-] 587262729 FHOJQELVROPIKA-UHFFFAOYSA-N 343.295 2.757 5 1 EFBF Nc1c(F)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F 587134789 MZYDJWDNWPYPFS-UHFFFAOYSA-N 335.226 2.907 5 1 EFBF O=c1[nH]c2nc3ccnc(-c4ccc(O)c([N+](=O)[O-])c4)c3cc2s1 13741979 ANHWTEGPJJZDPE-UHFFFAOYSA-N 340.320 2.814 5 1 EFBF COc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 196473586 JHYBWRNNCGEMOX-UHFFFAOYSA-N 328.284 2.979 5 1 EFBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCCC[C@H]1C 84723123 VWBIXFXBRDEEPQ-SNVBAGLBSA-N 328.463 2.992 5 1 EFBF Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1[N+](=O)[O-] 587653191 RKAZVNWQBAXJDU-UHFFFAOYSA-N 343.726 2.955 5 1 EFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587269981 HAGVEBDRKAVFOW-LBPRGKRZSA-N 344.302 2.551 5 1 EFBF O=C(CCn1ccc([N+](=O)[O-])n1)n1nc2cc1Oc1ccc(F)cc1-2 587875586 RKGOQEPXPHRHAB-UHFFFAOYSA-N 343.274 2.630 5 1 EFBF Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)cnc1Br 1772638183 MANMBAGJWLTSLR-UHFFFAOYSA-N 337.133 2.708 5 1 EFBF COc1cc(OCc2nc3ccc(CO)cc3[nH]2)ccc1[N+](=O)[O-] 587262904 HSAIYVWCMOPROV-UHFFFAOYSA-N 329.312 2.551 5 1 EFBF O=C1COc2cc3[nH]c(CCc4cccc([N+](=O)[O-])c4)nc3cc2N1 587270968 YKZPVJZIATWKTJ-UHFFFAOYSA-N 338.323 2.587 5 1 EFBF CN(CCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 169331686 CQXCONFBUTXIEE-UHFFFAOYSA-N 340.427 2.853 5 1 EFBF Cc1ccc2c(=O)c3c(O)cc(OCCCO[N+](=O)[O-])cc3oc2c1 1857633395 DHRQYVOUCWEXEC-UHFFFAOYSA-N 345.307 2.937 5 1 EFBF CCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC 26268742 HNSMIGZFCUYCPD-UHFFFAOYSA-N 340.440 2.746 5 1 EFBF CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ncc([N+](=O)[O-])s1 95563878 KGAAKIVKRMTHHH-UHFFFAOYSA-N 341.732 2.882 5 1 EFBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587231036 QQBHVNGRRRVEQD-VXGBXAGGSA-N 346.387 2.508 5 1 EFBF Cc1cc([C@H](c2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)sn1 28250974 IDMYNBVCLAIVER-INIZCTEOSA-N 332.429 2.697 5 1 EFBF Cc1nccc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 587093068 SVOQFKUOEUMNFN-UHFFFAOYSA-N 326.238 2.600 5 1 EFBF C[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174660 QXWGRVDFQNSTGE-INIZCTEOSA-N 342.286 2.634 5 1 EFBF COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)c(OC)c([N+](=O)[O-])c1 587260718 BBLDIJSQXVRVQL-UHFFFAOYSA-N 335.707 2.550 5 1 EFBF COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc([N+](=O)[O-])ccc12 587646923 AQFITDJSQUSMCP-UHFFFAOYSA-N 328.328 2.880 5 1 EFBF COc1c(OC)c(OC)c2c(=O)c3c(OC)cccc3oc2c1O 238735817 COHYTJJSBQTOJJ-UHFFFAOYSA-N 332.308 2.686 5 1 EFBF CCC(=O)[C@@H](C(C)=O)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 299864142 MBCRQMDANRRTHB-GFCCVEGCSA-N 331.246 2.981 5 1 EFBF Nc1ncc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268177 MXGGYJLBZMISDE-UHFFFAOYSA-N 325.115 2.817 5 1 EFBF COc1ccc2c(=O)c3cccc(CNC(C)(C)CO)c3oc2c1 95588986 QVNCPSYYRNWZIG-UHFFFAOYSA-N 327.380 2.815 5 1 EFBF O=[N+]([O-])c1cncc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040981 LDZXDELQZSCRTR-JSGCOSHPSA-N 341.396 2.812 5 1 EFBF C[C@@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 587022756 WZJRYEUHVSJYSU-RXMQYKEDSA-N 335.301 2.556 5 1 EFBF CN(C)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 27561558 CVAUBHYFOFOJJZ-UHFFFAOYSA-N 326.356 2.563 5 1 EFBF CCCC[N@+]1(C)O[I@@](=O)(O)c2ccccc21 263614722 SCFQOGPKAHRBQK-ZDUSSCGKSA-O 338.165 2.749 5 1 EFBF in-vitro COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 45391852 GDQRTWGGNWJXQA-UHFFFAOYSA-N 347.323 2.860 5 1 EFBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCOCC4)cc3)C2)o1 95564283 WBYGHVFBDQKPLZ-MRXNPFEDSA-N 343.339 2.890 5 1 EFBF O=C(c1cc([N+](=O)[O-])ccc1SC1CCCCC1)[PH](O)(O)O 79886409 FGPVORBIXDFPDX-UHFFFAOYSA-N 347.329 2.632 5 1 EFBF Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 586920726 WMCYOWAASFGDTP-UHFFFAOYSA-N 349.343 2.893 5 1 EFBF N=C(NN1CCOCC1)c1ccc2nc3ccc4ccccc4n3c2c1 28869153 NCVKYUVTWWGUMD-UHFFFAOYSA-N 345.406 2.803 5 1 EFBF COc1ccc2oc3cc4c(c(OC)c3c(=O)c2c1OC)OCO4 14648927 SKKVGEYOXAYAOP-UHFFFAOYSA-N 330.292 2.701 5 1 EFBF biogenic O=[N+]([O-])c1cc(Nc2ncnc3c2sc2nccnc23)ccc1O 95572989 QKAMKURTOOUYTE-UHFFFAOYSA-N 340.324 2.992 5 1 EFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(F)cnc2[nH]1 587116711 CIKBKGFOLZIWIS-UHFFFAOYSA-N 344.228 2.577 5 1 EFBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC1CCCC1 169719553 DUTOIEMVMPQCQJ-CABCVRRESA-N 345.355 2.922 5 1 EFBF COCCOc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1[N+](=O)[O-] 587266485 YQHSEZNMTVZKRC-UHFFFAOYSA-N 328.328 2.867 5 1 EFBF O=[N+]([O-])c1cc2nc(Cc3csc4nccn34)[nH]c2cc1[N+](=O)[O-] 587040433 LMJUGBQTMXVINJ-UHFFFAOYSA-N 344.312 2.679 5 1 EFBF O=C1C[C@H]2C[C@H]2C(=O)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103275126 YMQKLEAXQLETTD-JSTDYGSISA-N 341.241 2.591 5 1 EFBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@H]1CCO[C@H]1O2 14715668 RHGQIWVTIHZRLI-CVJBHZAOSA-N 326.304 2.883 5 1 EFBF endogenous,in-man COc1ccc2c(=O)c3cccc(CN(C)[C@H](C)CO)c3oc2c1 95592532 SGIXSJNGIJDCRK-GFCCVEGCSA-N 327.380 2.767 5 1 EFBF Cn1cc(C2=C(c3ccccc3[N+](=O)[O-])C(=O)NC2=O)c2ccccc21 10907 HJXOAWWNHWZRHO-UHFFFAOYSA-N 347.330 2.654 5 1 EFBF CC[C@@H]1[C@@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 1565134 YNCJDBRZKNLHIH-CKKDQYLBSA-N 340.423 2.924 5 1 EFBF CCOC(=O)c1nn(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc12 96273891 HHHNKXDVVRBCAF-UHFFFAOYSA-N 339.307 2.810 5 1 EFBF C[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 587276854 OEQJUQNUEJHPNK-ZCFIWIBFSA-N 326.238 2.691 5 1 EFBF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12 587264271 FSISFSMRYGXMOA-VIFPVBQESA-N 347.762 2.776 5 1 EFBF COCCOc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1[N+](=O)[O-] 587264801 KAVLKYIITWXLHD-UHFFFAOYSA-N 349.734 2.558 5 1 EFBF CS(=O)(=O)Nc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1 34841861 ZHKNBSXRNNIRGH-UHFFFAOYSA-N 334.784 2.773 5 1 EFBF N=c1cc[nH]cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587250187 XOGCFAHCJROKAP-UHFFFAOYSA-N 334.133 2.708 5 1 EFBF O=[N+]([O-])c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586924250 NDMJDJORAIAWJO-MDZDMXLPSA-N 329.337 2.916 5 1 EFBF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cc(C(=O)O)nn1 587647676 LZRIXNNVZJNXIZ-UHFFFAOYSA-N 329.316 2.653 5 1 EFBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] 586902521 LFIKPCYKWDAHGC-ZUZCIYMTSA-N 340.295 2.948 5 1 EFBF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(C[N+](=O)[O-])O2 587391699 XFVKKFYEFGQOCZ-GOSISDBHSA-N 326.352 2.801 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)nn2)c1 587270744 ZWVXZYZBJKDAJT-UHFFFAOYSA-N 346.310 2.595 5 1 EFBF CCCCCCOc1cc([N+](=O)[O-])ccc1N(C)S(C)(=O)=O 13682029 SJCBXMJLCUJAAC-UHFFFAOYSA-N 330.406 2.950 5 1 EFBF C[C@H](Cc1ccccc1[N+](=O)[O-])c1ccc2c(O)nc(O)nc2n1 587553305 GIFCZIXEPRJTFH-SECBINFHSA-N 326.312 2.690 5 1 EFBF O=C(NCCNCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 1772605270 PDQAYBDQEZJIDP-UHFFFAOYSA-N 345.424 2.707 5 1 EFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(N)c(N)cc3[nH]2)c1 587262451 UFNAJKQYSCJMNT-UHFFFAOYSA-N 327.344 2.565 5 1 EFBF COCCNc1ccc(-c2nc3c(C)nccc3[nH]2)cc1[N+](=O)[O-] 587265741 QXZMECQCVYDDQB-UHFFFAOYSA-N 327.344 2.900 5 1 EFBF COc1ccc2[nH]c(=O)c(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2c1 1857770572 RYWOXJCRZULBTL-UHFFFAOYSA-N 336.307 2.988 5 1 EFBF CCc1c(Sc2ccc([N+](=O)[O-])cc2)[nH]c2nc(N)nc(N)c12 14967417 UAOHAABNWKRYNZ-UHFFFAOYSA-N 330.373 2.744 5 1 EFBF CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 587648267 AVGKUFPHCMDHLL-UHFFFAOYSA-N 339.307 2.884 5 1 EFBF CCCc1c(O)ccc2c1O[C@@](C)(c1nn(C)cc1[N+](=O)[O-])CC2=O 587471467 RFBOJPHRNTVLJU-QGZVFWFLSA-N 345.355 2.867 5 1 EFBF Cc1cc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1[N+](=O)[O-] 587272833 AWGIQSRAROWSQR-VIFPVBQESA-N 330.304 2.688 5 1 EFBF CN(C)CCN1C(=O)c2cccc3c2c(cc2cccc(N)c23)C1=O 26838082 LMKAMKHUAUTREH-UHFFFAOYSA-N 333.391 2.733 5 1 EFBF COc1cc2c3c(c1)O[C@@H](c1cc(O)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432692 KTTIATZCQFEYDJ-SJCJKPOMSA-N 327.292 2.798 5 1 EFBF COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc([N+](=O)[O-])cc12 96273860 WQDQVYGCTAVNKI-UHFFFAOYSA-N 339.307 2.728 5 1 EFBF O=C1OC(c2cccc(Cl)c2[N+](=O)[O-])=N/C1=C\c1cccnc1 45253620 VHGUXXQCFIIYCH-GHXNOFRVSA-N 329.699 2.988 5 1 EFBF COC(=O)c1nn(C(=O)c2cccc(C)c2)c2c([N+](=O)[O-])cccc12 96913721 QWWBXGTXHBOQOT-UHFFFAOYSA-N 339.307 2.728 5 1 EFBF COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3C[C@@H]2[N+]1(C)[O-])OCO4 15204438 WKFUCDKSFITCAL-HGUAOMBGSA-N 341.363 2.969 5 1 EFBF biogenic,in-vitro O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(F)cc2F)c(Br)n1 66078972 ZXSHPNMZGADMJL-SECBINFHSA-N 348.103 2.566 5 1 EFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587265674 XJIPDRKRQJRXOM-WOPDTQHZSA-N 344.415 2.916 5 1 EFBF COc1cc(-c2nc3cc(OC)ncc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261121 VBEJJXVWMXOSOS-UHFFFAOYSA-N 330.300 2.559 5 1 EFBF C[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277311 SMYYFOMJBILFFR-SCSAIBSYSA-N 329.213 2.833 5 1 EFBF Cc1ccc(/N=c2/c([N+](=O)[O-])nn(-c3ccccc3)n2O)c(C)c1 100610452 KFHZLBCDZTVTFL-ICFOKQHNSA-N 325.328 2.669 5 1 EFBF O=[N+]([O-])c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586925429 ZOOQYFRVHHDBIY-HJWRWDBZSA-N 329.337 2.916 5 1 EFBF O=C(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1 587781050 CNMYDIBZCPLBCY-UHFFFAOYSA-N 329.287 2.896 5 1 EFBF COC(=O)c1c(OC)c(OC)c(OC)c2nc3ccccc3nc12 150202308 WIKPMELCZRXISE-UHFFFAOYSA-N 328.324 2.595 5 1 EFBF O=[N+]([O-])c1cc(N[C@H]2CCCN(Cc3ccccn3)C2)ccc1CO 1857767284 VNHUTIZQHCTBMM-KRWDZBQOSA-N 342.399 2.559 5 1 EFBF CC/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 36185119 MTHRWTWLVGUAJO-RGDDUWESSA-N 345.355 2.732 5 1 EFBF CC/C=C\COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 36185156 MTHRWTWLVGUAJO-XVWMLYKFSA-N 345.355 2.732 5 1 EFBF CCOC(=O)n1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653708533 ZTHYDTDGYGGXLG-UHFFFAOYSA-N 341.323 2.764 5 1 EFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cncc(Cl)c2[nH]1 587270455 YLIVPWGXIRQUQH-UHFFFAOYSA-N 332.703 2.911 5 1 EFBF Cc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)c(C)c1 263592272 KFHZLBCDZTVTFL-UHFFFAOYSA-N 325.328 2.669 5 3 EFBF O=[N+]([O-])c1cncc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040982 LDZXDELQZSCRTR-OCCSQVGLSA-N 341.396 2.812 5 1 EFBF C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587211240 NOOMZKPKZMPTES-ZWKOPEQDSA-N 326.352 2.902 5 1 EFBF CN(C)CCNC(=O)c1cccc2nc3ccc4cnccc4c3nc12 27767099 IRJVADJSOOEUAI-UHFFFAOYSA-N 345.406 2.623 5 1 EFBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041709 OWESZNAGELEOBT-UONOGXRCSA-N 341.396 2.812 5 1 EFBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@+]3([O-])CC2 255225492 LAYFSBDIAGEQJD-RYGJVYDSSA-N 329.396 2.685 5 1 EFBF biogenic,in-vitro N[C@H](Cc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O 587647689 MMFQDCMCLVXGNB-CQSZACIVSA-N 325.324 2.698 5 1 EFBF O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1CN1CCCC1 3775805 DAOMDHINXPQIJO-QGZVFWFLSA-N 331.416 2.614 5 1 EFBF O=[N+]([O-])c1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)c([N+](=O)[O-])c1 587263766 DGPWADVTULFFHO-UHFFFAOYSA-N 342.267 2.699 5 1 EFBF O=C(Nc1ccc(F)cc1)C(=O)c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 6883268 ONJTZVXDJCRNID-UHFFFAOYSA-N 343.270 2.742 5 1 EFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(F)c(F)c4[nH]3)nn2)c1 587270699 YXUFELZAPJHJQG-UHFFFAOYSA-N 342.265 2.997 5 1 EFBF