smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C(=O)O 587250867 UCIKAHSTLPOKQE-UHFFFAOYSA-N 343.255 2.327 5 1 EEBF COc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 101207908 WQXCPZUBGZCAJA-RYUDHWBXSA-N 334.376 2.350 5 1 EEBF COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cn1 587265526 VOKOJLUDHYNTSZ-UHFFFAOYSA-N 329.272 2.374 5 1 EEBF O=c1c2ccccc2[nH]c2cc(OC[C@H]3CO3)cc(OC[C@H]3CO3)c12 49033552 HPXFMZRHFJLXIK-QWHCGFSZSA-N 339.347 2.237 5 1 EEBF COc1c2c(cc3c(=O)c4cccc(O)c4oc13)O[C@H]1OC=C[C@@]21O 238751837 ZDHPHBSJGVVZFG-QZTJIDSGSA-N 340.287 2.110 5 1 EEBF N=C(N)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587265446 ULAKEJOAZGWHQV-UHFFFAOYSA-N 340.299 2.254 5 1 EEBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCOCC4)nc3)C2)o1 95559161 ANRBDYBMLVFLGV-AWEZNQCLSA-N 344.327 2.285 5 1 EEBF COC(=O)C1CCN(C(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)CC1 587649664 WDRGHFUHPIAVED-UHFFFAOYSA-N 345.355 2.410 5 1 EEBF CCOC(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587777748 WVBWLZZLUJMWAR-UHFFFAOYSA-N 328.122 2.339 5 1 EEBF COC(=O)Cc1nn2c(nc1=O)sc1ccc3ccccc3c12 1622606 QRPIYPKDMDQFFZ-UHFFFAOYSA-N 325.349 2.173 5 1 EEBF O=C(O)c1cccnc1SCc1nc2cncc([N+](=O)[O-])c2[nH]1 586969115 SZPBKTZHGQONKO-UHFFFAOYSA-N 331.313 2.252 5 1 EEBF CC1(C)C[N@@]1[P@](=O)(OCCn1ccnc1[N+](=O)[O-])[N@@]1CC1(C)C 1857535791 RCRCUBUCRUHRIX-DTVZVWBHSA-N 343.324 2.104 5 1 EEBF COc1cc(-c2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])cc1OC 587555619 QMPGHHBXDASYPB-UHFFFAOYSA-N 344.283 2.028 5 1 EEBF O=C(O)c1c2c3ccc(N4CCOCC4)c4cccc(c-2nc1=O)c43 45375146 HWRDLPNUEUDBLH-UHFFFAOYSA-N 334.331 2.263 5 1 EEBF Nc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)n1 587253816 QWPIJRAXRZHKIO-UHFFFAOYSA-N 329.323 2.404 5 1 EEBF CC(=O)Nc1cc2nc3cc(COC(C)=O)ccc3oc-2cc1=O 2356712420 BPAVCXXWVSONAZ-UHFFFAOYSA-N 326.308 2.314 5 1 EEBF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 104031628 HEEPKJSEGRGABI-NXXVSJRMSA-N 345.315 2.393 5 1 EEBF C[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275398 DBMCGFWOXGLAGL-ZCFIWIBFSA-N 347.247 2.093 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587274972 YKILLJJCIYGCMJ-JTQLQIEISA-N 342.359 2.173 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc([N+](=O)[O-])cc1C)O2 587391707 XHJXWCTWMSSSGO-INIZCTEOSA-N 330.344 2.414 5 1 EEBF O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC2(CCCC2)[C@H]1O 27556197 HTOVWZABNUNADL-SJORKVTESA-N 342.351 2.412 5 1 EEBF Cc1nc(N[C@H]2CCOC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821508 FFVLMQVYLKDPPV-CABZTGNLSA-N 332.364 2.024 5 1 EEBF Cn1nnc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C(F)F 587128317 JMYIBUZHHNKEOQ-UHFFFAOYSA-N 339.218 2.112 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(O)c3[nH]2)cc1 586920491 LMRUJWBEVUWTRG-UHFFFAOYSA-N 333.325 2.151 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587273698 KMKKACLXNAVHBE-SSDOTTSWSA-N 333.279 2.309 5 1 EEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(O)nc(S)nc3[nH]2)c1 587263094 LILVEZCLNCTIBA-UHFFFAOYSA-N 347.356 2.185 5 1 EEBF C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@@H]1C2 169292351 TVEJJYBKWFNIQS-QQTQMKHKSA-N 330.448 2.336 5 1 EEBF in-man C=Cc1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C 14944865 ZGTZLVWABOYVHG-YPKPFQOOSA-N 339.398 2.236 5 1 EEBF CC(=O)Nc1c([N+](=O)[O-])cc2c(c1N1CCCC1)C[C@H](O)C(C)(C)O2 40466581 ZBLMQQPFSQIJIB-AWEZNQCLSA-N 349.387 2.228 5 1 EEBF O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N[C@@H]1CCc2ccccc21 66251841 QFFLLSBPINLRJI-GFCCVEGCSA-N 330.296 2.148 5 1 EEBF COc1cc(OC)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587274933 XCFPYIDBJLBSES-VIFPVBQESA-N 331.332 2.489 5 1 EEBF CN[C@H](c1cccnc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587227175 WATLUKBIFOBLGH-CYBMUJFWSA-N 328.288 2.083 5 1 EEBF OCCCNc1nnc(NCCCO)c2cc3ccccc3cc12 27988389 RFSJCFKDGKGOCS-UHFFFAOYSA-N 326.400 2.372 5 1 EEBF COc1cc2c3c(c1)O[C@@H](c1nc(OC)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434352 UAXRIVNHKBSGAN-DYZYQPBXSA-N 342.307 2.496 5 1 EEBF CNC(=O)c1nc([N+](=O)[O-])cn1Cc1ccc(OC(F)(F)F)cc1 1772653469 PYJYORFJKVJRFG-UHFFFAOYSA-N 344.249 2.098 5 1 EEBF COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]2CC[C@H]1N2C 253664538 KHZYUUJRRGZBGU-QGMIFYJMSA-N 349.343 2.242 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2cccc(F)c2)nn1 653725405 ZZTHVVVSEGTRJH-UHFFFAOYSA-N 345.338 2.143 5 1 EEBF COc1cc(OCc2nc3cccc(C(N)=O)c3[nH]2)ccc1[N+](=O)[O-] 587263110 MBRRIBBWQXAJJP-UHFFFAOYSA-N 342.311 2.158 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587261435 BPGLUIBOIHFAAB-BBBLOLIVSA-N 332.316 2.132 5 1 EEBF O=C(Nc1nnn[nH]1)c1cc(Cl)cc(-c2ccc([N+](=O)[O-])cc2)n1 29313244 CQHWPYMRGJFYQL-UHFFFAOYSA-N 345.706 2.076 5 1 EEBF Nc1ncc(-c2nc3c(Br)ccnc3[nH]2)cc1[N+](=O)[O-] 587268162 MLIZWKHDJJTGBF-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF CNc1ccc2cc3ccc(NS(C)(=O)=O)cc3nc2c1CO 28012520 FOJKTVJJMUNRTQ-UHFFFAOYSA-N 331.397 2.294 5 1 EEBF O=C(Cc1ccccc1)N[C@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)OC1 101097005 JGOWOVPGYCBBQT-RHNCMZPLSA-N 342.351 2.368 5 1 EEBF COc1cccc(Cc2nnc(Cn3c([N+](=O)[O-])cnc3C)o2)c1 84759496 SOCCYHWRHWJODI-UHFFFAOYSA-N 329.316 2.130 5 1 EEBF O=[N+]([O-])c1c(Br)ccc2nc(C[C@@H]3COCCO3)[nH]c12 586910653 SHMZYIJIKCYDAI-SSDOTTSWSA-N 342.149 2.192 5 1 EEBF CCO[C@H]1Sc2nnc(CC)n2N=C1c1ccc([N+](=O)[O-])cc1 103174231 LEPRSXUIWHIKJN-ZDUSSCGKSA-N 333.373 2.469 5 1 EEBF O=[N+]([O-])c1ccc(CNCCNCc2ccc([N+](=O)[O-])cc2)cc1 146967966 SNNMDVSWWURLHQ-UHFFFAOYSA-N 330.344 2.382 5 1 EEBF CC(C)c1cn(C)/c(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 14944854 SBGKKUJHZCNXNE-YPKPFQOOSA-N 341.414 2.408 5 1 EEBF CC(C)(C)NC[C@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 25973797 VFFBJVRFPZBMEC-JTQLQIEISA-N 330.768 2.154 5 1 EEBF Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc([N+](=O)[O-])cn1 473249713 YGZMHAMUYJGNJS-UHFFFAOYSA-N 348.322 2.183 5 1 EEBF Cc1ccc(Cl)cc1N1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 84605036 XIORQIJOQGAMAR-UHFFFAOYSA-N 348.794 2.255 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccnc(Br)c2[nH]1 587274956 XTVOCHNBHVDIFN-UHFFFAOYSA-N 337.137 2.182 5 1 EEBF C[C@@H]1C[N+]2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 28961791 SEIXQQAYBNWQRO-HZPDHXFCSA-N 334.440 2.077 5 1 EEBF COc1ccc([N+](=O)[O-])cc1CSC(=S)N1CCN(C)CC1 33286192 UACRRHSULLSJFD-UHFFFAOYSA-N 341.458 2.369 5 3 EEBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2ccccc2)nn1 653918588 FNGLESJGXXIZEY-UHFFFAOYSA-N 327.348 2.004 5 1 EEBF O=[N+]([O-])c1cccnc1NCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587268512 BEBIVYREJZRIQA-UHFFFAOYSA-N 339.237 2.239 5 1 EEBF O=C(NCc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1cc2c(s1)CCC2 587034249 FYHBDFSQICEFNS-UHFFFAOYSA-N 343.368 2.346 5 1 EEBF COC(=O)c1ccnc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc12 587268309 QFQGLBVYBYBLBG-UHFFFAOYSA-N 344.331 2.021 5 1 EEBF O=C(O)c1c(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)cc(=O)c-2c1O 169712528 FFRPPCYQLMPAGD-UHFFFAOYSA-N 343.247 2.429 5 1 EEBF O=c1c2cc(O)ccc2oc2cc(OCCCO[N+](=O)[O-])cc(O)c12 1857635123 CRSVLENXTFYSJN-UHFFFAOYSA-N 347.279 2.335 5 1 EEBF C=C(NC(C)=O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587202286 DWSAXQLDBPYFBM-UHFFFAOYSA-N 325.122 2.340 5 1 EEBF NCCN(CCN)CCNCc1c2ccccc2cc2ccccc12 1857542338 KKSNKXDEZVCIES-UHFFFAOYSA-N 336.483 2.302 5 1 EEBF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587235645 PIGFISBCBCIVPH-PHDIDXHHSA-N 339.149 2.083 5 1 EEBF O=C(O)CSc1ncccc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 586968134 KAFUMMBHWUOJJA-UHFFFAOYSA-N 331.313 2.105 5 1 EEBF O=C(NCCN1CCOCC1)c1cnc2ccc3ccccc3c2c1 1857614318 YODCJIKVMYQYRS-UHFFFAOYSA-N 335.407 2.450 5 1 EEBF Cc1c(C(=O)OCCO)c2ccccc2n2c(=O)c3ccccc3n12 1911576123 OLKBQULWRQIJGW-UHFFFAOYSA-N 336.347 2.163 5 1 EEBF O=c1c2ccccc2[nH]c2cc(OC[C@@H]3CO3)cc(OC[C@@H]3CO3)c12 49033544 HPXFMZRHFJLXIK-OLZOCXBDSA-N 339.347 2.237 5 1 EEBF CCOC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 653861040 GXWVATXLVIPGLX-AMIOVWLRSA-N 328.324 2.170 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587271068 ZEACXQAZTLNFDI-SWLSCSKDSA-N 340.343 2.437 5 1 EEBF COc1c2c(cc3c(=O)c4cccc(O)c4oc13)O[C@@H]1OC=C[C@@]21O 2356500681 ZDHPHBSJGVVZFG-ZWKOTPCHSA-N 340.287 2.110 5 1 EEBF O=c1oc2nc3c(cnn3-c3ccccc3)c(=O)n2c2ccccc12 45314958 KVUQNTFWUHXBHI-UHFFFAOYSA-N 330.303 2.140 5 1 EEBF O=[N+]([O-])c1ccc(Cl)c(OC2CCN(c3nccnn3)CC2)c1 166569194 PKYCAZGMGWMHIV-UHFFFAOYSA-N 335.751 2.481 5 1 EEBF O=[N+]([O-])c1cc(/C=C/c2nc3c(O)nc(O)nc3[nH]2)ccc1Cl 587048378 USNYYYHEOPUASZ-DUXPYHPUSA-N 333.691 2.496 5 1 EEBF CN1CCN(c2cc3oc4cc(N(C)C)ccc4nc-3c(=O)c2)CC1 137143557 RRCPIEORFMSYNT-UHFFFAOYSA-N 338.411 2.111 5 1 EEBF Cc1ccc(CCN=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)cc1 263592043 YOYLBKNPRNAZRR-UHFFFAOYSA-N 339.355 2.271 5 3 EEBF COC(=O)c1nn(C(=O)c2ccsc2)c2ccc([N+](=O)[O-])cc12 96273892 UUJOWERMNPJSTI-UHFFFAOYSA-N 331.309 2.481 5 1 EEBF COc1c(-c2ccc3c(O)nc(O)nc3n2)cc(F)cc1[N+](=O)[O-] 587368967 YJCVUECYPQMDOR-UHFFFAOYSA-N 332.247 2.159 5 1 EEBF CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13145040 KLUFAIXBSGETEP-LTIDMASMSA-N 329.356 2.485 5 1 EEBF NC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148849 LQDOFPOCSZIHHV-UHFFFAOYSA-N 330.275 2.288 5 1 EEBF COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2cccc([N+](=O)[O-])c12 587647345 GGEWIRBEKQKEIE-UHFFFAOYSA-N 342.311 2.141 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCCO3 587274626 QXHVTIQMYNKFAH-VIFPVBQESA-N 329.316 2.243 5 1 EEBF COCCOc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1[N+](=O)[O-] 587265219 MQQPUUVWJDFEHY-UHFFFAOYSA-N 343.343 2.328 5 1 EEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Cl)ncnc4[nH]3)nn2)c1 587270168 RDQZKJSSOVGJMT-UHFFFAOYSA-N 342.706 2.162 5 1 EEBF Cc1ccc2c(=O)c(N)c3c(=O)c4cccc(O)c4c4oc(=O)c1c2c4-3 13387722 FXSXCAARGCZVNR-UHFFFAOYSA-N 345.310 2.396 5 1 EEBF biogenic O=[N+]([O-])c1cc(-[n+]2cc(O)on2)ccc1N1Cc2ccccc2C1 5500359 NBXBTNRPEINILY-UHFFFAOYSA-O 325.304 2.085 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc([N+](=O)[O-])cc1)O2 587388692 GIVBBGTZLFZFRW-QGZVFWFLSA-N 328.324 2.338 5 1 EEBF COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]2CC[C@H]1N2C 26170848 KHZYUUJRRGZBGU-XRFFLINXSA-N 349.343 2.242 5 1 EEBF COC(=O)c1cc2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1OC 587277497 XCPZNAYJSQRWMK-QMMMGPOBSA-N 345.315 2.072 5 1 EEBF COc1cc([N+](=O)[O-])ccc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962905167 WRKSPPSHCCPZDR-HOCLYGCPSA-N 346.314 2.431 5 1 EEBF C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 100371403 TVEJJYBKWFNIQS-JSFADZTLSA-N 330.448 2.336 5 1 EEBF in-man O=C(NN1Cc2ccccc2CN1)c1cc([N+](=O)[O-])ccc1Cl 84668706 NMISSSOEFDGRMB-UHFFFAOYSA-N 332.747 2.413 5 1 EEBF Nc1ncc(-c2nc3ccnc(Br)c3[nH]2)cc1[N+](=O)[O-] 587267731 FHCQHNPHNIEGHW-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 13154751 OJSWZGUESFPIQQ-OTSLLENHSA-N 340.335 2.161 5 1 EEBF CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13154187 WLADKGWPKZATAW-WCXIOVBPSA-N 329.356 2.485 5 1 EEBF O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccccn3)C2)ccc1CO 1857765869 SXXSUVGUILFHQM-MRXNPFEDSA-N 328.372 2.169 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587274250 OPNYDZOCQLEGRM-ZETCQYMHSA-N 327.304 2.053 5 1 EEBF N[C@H](N=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274715 ZPZHLYGJJKFNON-CQSZACIVSA-N 329.320 2.024 5 1 EEBF COc1cccc2oc3cc(OCCO[N+](=O)[O-])cc(O)c3c(=O)c12 1857630880 UVDXCQZMMAELKD-UHFFFAOYSA-N 347.279 2.248 5 1 EEBF O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 29127457 LHLVNOWGDADEKP-SYMSYNOKSA-N 338.319 2.415 5 1 EEBF COc1cc2c3c(c1)O[C@@](C)(Cn1ccc([N+](=O)[O-])n1)[C@@H](C2)C3=O 587430287 GGJCDWLRIONLHS-ZBEGNZNMSA-N 329.312 2.006 5 1 EEBF O=c1c2ccccc2[nH]c2cc(OC[C@@H]3CO3)cc(OC[C@H]3CO3)c12 49033546 HPXFMZRHFJLXIK-CHWSQXEVSA-N 339.347 2.237 5 1 EEBF N[C@@H](CCc1nc2ccccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587273933 XGPUSVZIHWLXMV-ZDUSSCGKSA-N 339.355 2.370 5 1 EEBF Nc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 3247170 KMENEZUZICXKMA-UHFFFAOYSA-N 333.275 2.112 5 3 EEBF Cc1nc(NC[C@H]2CCCCO2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821472 LWYCLEOURKNTGE-GFCCVEGCSA-N 332.364 2.168 5 1 EEBF COC(=O)c1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587263171 KJKJOQAWIYQXGI-ZMLRMANQSA-N 345.355 2.010 5 1 EEBF CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3cc([N+](=O)[O-])ccc23)n1 587647832 RCRPKEHCKUMNFS-UHFFFAOYSA-N 342.311 2.310 5 1 EEBF COc1c(O)ccc([C@@H]2NCCc3c(C(=O)O)cccc32)c1[N+](=O)[O-] 963125753 TUBVZJCMBPHVSR-CQSZACIVSA-N 344.323 2.242 5 1 EEBF CC(C)(O)[C@@H]1Cc2c(cc3oc4ccc(O)cc4c(=O)c3c2O)O1 13459605 GZXZUJRVFDZPFR-AWEZNQCLSA-N 328.320 2.432 5 1 EEBF biogenic COc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962905161 WRKSPPSHCCPZDR-GOEBONIOSA-N 346.314 2.431 5 1 EEBF COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]2CC[C@@H]1N2C 169316316 KHZYUUJRRGZBGU-BYDSVVRCSA-N 349.343 2.242 5 1 EEBF COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@@]21O 13374529 XHQIJMIDMXGFJD-ZWKOTPCHSA-N 340.287 2.110 5 1 EEBF biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 101621982 JNHXLWWYDPFNKR-NTKGCBCNSA-N 332.312 2.065 5 1 EEBF CCS(=O)(=O)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 73141664 BUPDLZIYZYSTEG-KBPBESRZSA-N 342.417 2.273 5 1 EEBF COC(=O)c1cc(Cl)c2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2c1 587274771 SMGFKSWRQGYTBA-UHFFFAOYSA-N 349.734 2.464 5 1 EEBF COc1cc2c3c(c1)O[C@@](CO)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587430905 CIPIZRVAXHBSPK-KSSFIOAISA-N 341.319 2.239 5 1 EEBF c1ccc2c(c1)ccc1ccc([C@@H]3CNCCNCCNCCN3)cc12 29126410 FMIQMSIOJXYMBB-QFIPXVFZSA-N 348.494 2.406 5 1 EEBF Cc1nc(NC[C@H]2OCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821500 DCTDJGUQXJZXBR-BXKDBHETSA-N 332.364 2.024 5 1 EEBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587264758 SNZZHWRFALYOPE-DLOVCJGASA-N 345.355 2.010 5 1 EEBF CC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 40565433 XRCPBGDHHWPJRJ-OAHLLOKOSA-N 344.371 2.282 5 1 EEBF COc1ccc2c(c1)CC[C@](N)(c1nc3cncc([N+](=O)[O-])c3[nH]1)C2 587247299 OQWSUGRCRNOTGL-QGZVFWFLSA-N 339.355 2.218 5 1 EEBF O=C(NCc1ccc(O)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13760663 VAARLVBAANTQOM-UHFFFAOYSA-N 339.307 2.281 5 1 EEBF Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 4103726 ZHDXWZTXAHEVKV-CUFDPUGPSA-N 334.397 2.346 5 1 EEBF O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C(=O)NCc1ccccc1 299866381 OTCOLQSIRYFZBP-INIZCTEOSA-N 341.323 2.442 5 1 EEBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 587159224 NICNFHOUWBEJAG-UHFFFAOYSA-N 333.235 2.492 5 1 EEBF CC(=O)[C@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 26377076 OYCSKQKYVYWFLJ-JKSUJKDBSA-N 344.367 2.036 5 1 EEBF COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261023 PVFIBHFORITDOF-UHFFFAOYSA-N 345.271 2.459 5 1 EEBF COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]2CC[C@H]1N2C 26170844 KHZYUUJRRGZBGU-FWHFQCOYSA-N 349.343 2.242 5 1 EEBF COc1cc2c(c3[nH]c4ccccc4c(=O)c13)[C@H](O)[C@@H](O)C(C)(C)O2 13459139 SZCZIVYCHPRUFS-ZWKOTPCHSA-N 341.363 2.255 5 1 EEBF biogenic CNC(=O)c1cc([N+](=O)[O-])c2sc(C(=O)N3CCCCC3)nc2c1 653786048 BPJSCOVCTXPMQY-UHFFFAOYSA-N 348.384 2.190 5 1 EEBF CC(=O)OCCOc1nc(-c2ccccc2)cn2cc([N+](=O)[O-])nc12 1857567582 SCNXLRJLKHQQTJ-UHFFFAOYSA-N 342.311 2.246 5 1 EEBF CN(C)CCNc1nn2c(=O)c3ccccc3nc2c2ccccc12 1772646293 WIDYOVWLIJWDLH-UHFFFAOYSA-N 333.395 2.369 5 1 EEBF COc1ccc2c(=O)c3cc(C(=O)N[C@@H](C)CO)ccc3oc2c1 103228861 UVHSORWWVKMGSK-JTQLQIEISA-N 327.336 2.065 5 1 EEBF COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 102970291 AQJMIPJCUWITQP-NTKGCBCNSA-N 332.312 2.065 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267989 VEHGOBCYBDYGSC-SECBINFHSA-N 340.343 2.470 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1OC 587265332 WOYMXFLZSWHTDY-DCAQKATOSA-N 347.371 2.241 5 1 EEBF COC(=O)c1cccn1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 6482727 VJGYRNSWUBMQNB-UHFFFAOYSA-N 344.732 2.073 5 1 EEBF O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 101452282 LHLVNOWGDADEKP-YHUYYLMFSA-N 338.319 2.415 5 1 EEBF Cc1nc(NC2CCSCC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821469 WCOGTFNZOYDKQP-UHFFFAOYSA-N 334.405 2.495 5 1 EEBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586963057 XRYSPMXVDBICCO-LURJTMIESA-N 332.345 2.402 5 1 EEBF C[C@@H](c1nc2ccnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276827 NRWYUABCFBNZEL-LURJTMIESA-N 337.137 2.434 5 1 EEBF O=[N+]([O-])c1ccn(CCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 587274362 UAORHWHHXXAHEP-UHFFFAOYSA-N 341.253 2.061 5 1 EEBF O=c1oc2ccccc2n1Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 103275514 GLFZQJTUAHHYIN-UHFFFAOYSA-N 337.295 2.132 5 1 EEBF Cc1cccn2c(=O)c3cc(C(=O)O)c(=N)n(-c4ccccc4)c3nc12 1857563966 NVOAHUSRLCWIGF-UHFFFAOYSA-N 346.346 2.124 5 1 EEBF CN(Cc1ccc(OC(F)F)cc1)C(=O)c1nc([N+](=O)[O-])c[nH]1 1857588224 IPANLARUYYFQFA-UHFFFAOYSA-N 326.259 2.192 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262678 HHJGCJXLYZQRLA-MIMYLULJSA-N 332.316 2.132 5 1 EEBF Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1 34006007 RPESVFFSTNXZGQ-UHFFFAOYSA-N 337.299 2.020 5 1 EEBF CCc1cc(O)nc(SCc2nc3cncc([N+](=O)[O-])c3[nH]2)n1 586966747 MFJSDUZLHCXQSR-UHFFFAOYSA-N 332.345 2.216 5 1 EEBF Nc1cc(C(=O)O)ccc1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587248893 AYSUYMRUQKCQDF-UHFFFAOYSA-N 330.275 2.481 5 1 EEBF O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(F)cc2)c(Br)n1 66077244 CFSHGTGRTQVUJP-SECBINFHSA-N 330.113 2.427 5 1 EEBF CCCCC(=O)CCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 85589807 DZALQUYFNHIYDL-OAHLLOKOSA-O 330.445 2.399 5 1 EEBF endogenous,in-man CCOC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 653861043 GXWVATXLVIPGLX-ZEDKHECFSA-N 328.324 2.170 5 1 EEBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cnn(C)c1C 587647674 LZNJJHVXGWQUAD-UHFFFAOYSA-N 342.311 2.136 5 1 EEBF COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4962516 JNHXLWWYDPFNKR-GHSKTYPESA-N 332.312 2.065 5 1 EEBF C[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 100371416 TVEJJYBKWFNIQS-DUPRYPCISA-N 330.448 2.336 5 1 EEBF in-man C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275397 DBMCGFWOXGLAGL-LURJTMIESA-N 347.247 2.093 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263148 KEHLOJVJSXADMW-GJMOJQLCSA-N 340.742 2.411 5 1 EEBF C[n+]1cccc(C(=O)OCCn2ccc3cc([N+](=O)[O-])ccc32)c1 13524833 AVBIXDQRDKYTFR-UHFFFAOYSA-N 326.332 2.231 5 1 EEBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCCNCC1 82086344 CHMLHKSGVAKMJA-UHFFFAOYSA-N 332.385 2.154 5 1 EEBF OC[C@H](O)[C@@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34 26400201 KGLYMCAQFUDSLX-MOPGFXCFSA-N 335.403 2.388 5 1 EEBF COc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2n1 587269923 UEKLELJSSCJQKY-UHFFFAOYSA-N 328.284 2.266 5 1 EEBF COc1ccc(OC(C)=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1 95558162 PROBSKCDAAYQRB-UHFFFAOYSA-N 337.313 2.238 5 1 EEBF CN1C(=O)CN(CCCN2CCCCC2)c2ccc([N+](=O)[O-])cc21 473136285 PIUAYONFXWKQGH-UHFFFAOYSA-N 332.404 2.254 5 1 EEBF O=[N+]([O-])c1cc(Br)cc2nc(CC3OCCO3)[nH]c12 586907493 GTKZTCXDPVGMTL-UHFFFAOYSA-N 328.122 2.149 5 1 EEBF CCc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21 1619722 RTMDICMDIJLALY-UHFFFAOYSA-N 332.363 2.147 5 1 EEBF CCCOc1ccc(N(C)C(=S)NC(=O)OC)c([N+](=O)[O-])c1 33649690 XAMBWYOBLRPPBV-UHFFFAOYSA-N 327.362 2.461 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263149 KEHLOJVJSXADMW-PRJMDXOYSA-N 340.742 2.411 5 1 EEBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccc(F)cc3)n2)cc([N+](=O)[O-])c1 1772651224 YTTDRMXNBZSSOC-UHFFFAOYSA-N 344.262 2.344 5 1 EEBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cnn(C)c1C 587647868 SDNOCHSJADJREU-UHFFFAOYSA-N 342.311 2.136 5 1 EEBF Cc1c(O)cc2oc3c(=O)oc4cc(O)ccc4c3c(=O)c2c1O 13378583 IRFJPHPNKCAISA-UHFFFAOYSA-N 326.260 2.478 5 1 EEBF biogenic,in-vitro C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587274501 PLYFHQLSEHNIRL-ZETCQYMHSA-N 333.279 2.309 5 1 EEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(C(F)(F)F)cn1)C2 72122778 PVOVVYHOXGWTIS-QMMMGPOBSA-N 330.222 2.045 5 1 EEBF COC(=O)c1cc(O)c(OC)c2oc3cc(OC)cc(O)c3c(=O)c12 33835310 YOKTYPRIGTVGHQ-UHFFFAOYSA-N 346.291 2.161 5 1 EEBF biogenic CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1[N+](=O)[O-] 587556617 YEBZLNJCUCQHQG-UHFFFAOYSA-N 328.284 2.410 5 1 EEBF O=[N+]([O-])c1cncc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587119000 USCYXVAZOBGXPB-UHFFFAOYSA-N 326.238 2.324 5 1 EEBF COC(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1OC 587276572 MGGPXOWWWXAHKV-QMMMGPOBSA-N 345.315 2.072 5 1 EEBF COc1cc2c3c(c1O)C1=C(C=C[C@H](OC)[C@@H]1O)C[C@H]3[N+](C)(C)CC2 238740535 CZEPMAAFMZGZHK-TYILLQQXSA-O 344.431 2.177 5 1 EEBF OC[C@@H](O)[C@@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34 26400198 KGLYMCAQFUDSLX-RTBURBONSA-N 335.403 2.388 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(CN(C)C)cc1 26503643 CRNSIGXOBHQHRL-UHFFFAOYSA-N 332.360 2.018 5 1 EEBF CC(C)(Cc1ccccc1)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 66251804 CPEFPZODZRHIRG-UHFFFAOYSA-N 346.339 2.482 5 1 EEBF COc1cc(O)c2c(=O)c3c(OC)c(OC)c(O)c(OC)c3oc2c1 14438327 QBQFVALIXCEGIQ-UHFFFAOYSA-N 348.307 2.392 5 1 EEBF biogenic O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587971171 VRPIIVPKBMWECN-JGPRNRPPSA-N 348.318 2.158 5 1 EEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587266258 ZMIMSYSSYWIHNY-LSJOCFKGSA-N 346.343 2.440 5 1 EEBF Cc1ccc2c(c1)[n+]([O-])c1c(=O)nc(NC3CCCCC3)nc-1n2C 101466111 ZRSBBCVPUURGTH-UHFFFAOYSA-N 339.399 2.120 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1F 587263029 JJAFCQRXHBSNOX-UTLUCORTSA-N 335.335 2.371 5 1 EEBF O=[N+]([O-])c1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)c([N+](=O)[O-])c1 587265027 RIIFRVUQIIUNMM-UHFFFAOYSA-N 334.679 2.365 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1OC 587265337 WOYMXFLZSWHTDY-VWYCJHECSA-N 347.371 2.241 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)O)[C@@H]1c1cccc([N+](=O)[O-])c1 136203065 HZKLXXZXIMSELS-OCCSQVGLSA-N 332.312 2.301 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 587264230 DJNOPUQIIJWTMD-LURJTMIESA-N 345.275 2.048 5 1 EEBF CN(C)CCNc1ccc2c3c(C(=O)O)c(=O)nc-3c3cccc1c32 45347258 NILVBOWUQQMZPW-UHFFFAOYSA-N 335.363 2.400 5 1 EEBF Cn1cc(-c2cnc3ccc4ccc(CC(N)=O)cc4c(=O)c3c2)cn1 95584905 UAYZHKCXTSZNKM-UHFFFAOYSA-N 344.374 2.177 5 1 EEBF CS(=O)(=O)/C=C/c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586923785 VPYKKQUSDILTRT-SNAWJCMRSA-N 346.162 2.249 5 1 EEBF O=C(Nc1ccccc1N1CC[C@@H](CO)C1)c1ccc([N+](=O)[O-])o1 28960804 NJTNSYVJJGMGAP-LLVKDONJSA-N 331.328 2.259 5 1 EEBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1CO 82085215 SLXWTXUXRRZSMG-JTQLQIEISA-N 333.369 2.315 5 1 EEBF O=C(O)[C@H]1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]1C(=O)O 587971173 VRPIIVPKBMWECN-RTCCRHLQSA-N 348.318 2.158 5 1 EEBF CC(=O)N[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 29341838 KDDPSLFZGRXIHU-MRXNPFEDSA-N 328.324 2.457 5 1 EEBF COc1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587265552 WDINEGDLRFGJKM-JTQLQIEISA-N 328.328 2.428 5 1 EEBF C[C@H](O)[C@@]12C[N@@+](C)([O-])[C@H]3C[C@]14C(=Nc1ccccc14)[C@H]1C[C@@H]2[C@@H]3CO1 1772593025 YHRIDASXCUOLRQ-WVBKPHSTSA-N 340.423 2.143 5 1 EEBF CCS(=O)(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 29043952 HPJGJWJXBWOIKC-UHFFFAOYSA-N 349.415 2.233 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 587264592 IMPSIZDBNYWIOT-ZETCQYMHSA-N 329.276 2.342 5 1 EEBF C[C@H](c1nc2ccnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276828 NRWYUABCFBNZEL-ZCFIWIBFSA-N 337.137 2.434 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587274627 QXZPBSGZQNEUTO-LURJTMIESA-N 341.253 2.232 5 1 EEBF CN[C@@H](c1cccnc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587227176 WATLUKBIFOBLGH-ZDUSSCGKSA-N 328.288 2.083 5 1 EEBF O=[N+]([O-])c1cnc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 586924208 LEYZLDYAYKNEIR-VOTSOKGWSA-N 330.325 2.311 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1F 587263028 JJAFCQRXHBSNOX-LPEHRKFASA-N 335.335 2.371 5 1 EEBF Cc1cc2[nH]c(CSc3nc(O)cc(O)n3)nc2cc1[N+](=O)[O-] 586967238 VFIKESVDGAHPKH-UHFFFAOYSA-N 333.329 2.273 5 1 EEBF COCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653702463 ZHOCJGXWKGUBMH-UHFFFAOYSA-N 327.340 2.406 5 1 EEBF O=C(Cn1nncc1-c1cccc([N+](=O)[O-])c1)NCc1ccccc1 473149706 KERPWUXPVOIULA-UHFFFAOYSA-N 337.339 2.170 5 1 EEBF COc1cc2c(=O)oc3c4c(cc5c(=O)oc(c1OC)c2c35)OCO4 15150757 OYIICQYVRVZDOI-UHFFFAOYSA-N 342.259 2.236 5 1 EEBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1cccc([N+](=O)[O-])c1)O2 587388674 FZGSZHZDHWVTRB-QGZVFWFLSA-N 328.324 2.338 5 1 EEBF COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cn1 587270437 XWOYDHONTJZPJF-UHFFFAOYSA-N 328.284 2.266 5 1 EEBF N[C@@H](N=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268689 JFKDTXHIWDDWOB-ZDUSSCGKSA-N 327.304 2.202 5 1 EEBF O=[N+]([O-])c1cnc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 587159227 NMMZEPAFIRDGDM-UHFFFAOYSA-N 333.235 2.492 5 1 EEBF COc1cc2c3c(c1)O[C@@](CO)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430682 AQAIHKYTTNXUPN-KSSFIOAISA-N 341.319 2.239 5 1 EEBF CCOC(=O)c1nc(O)c2cc3cc(OCC)c(OC)cc3nc2n1 26580248 GMTJZEYYQYJKAW-UHFFFAOYSA-N 343.339 2.468 5 1 EEBF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587044229 XUZJWYWJSVIBLI-SNVBAGLBSA-N 335.389 2.486 5 1 EEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 587267949 JTTCAGLXCUQFHV-UHFFFAOYSA-N 331.292 2.143 5 1 EEBF C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903250 XAEURQMDVVCMOU-WMLDXEAASA-N 345.330 2.179 5 1 EEBF CCOC(=O)c1nc(O)c2cc3cc(OC)cc(OC)c3nc2n1 26640388 NQIOJYAGENYRKY-UHFFFAOYSA-N 329.312 2.078 5 1 EEBF O=C(O)[C@H]1C(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H]1C(=O)O 587971172 VRPIIVPKBMWECN-QWRGUYRKSA-N 348.318 2.158 5 1 EEBF C[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)n1cc([N+](=O)[O-])cn1 587277309 SMYFPQMGPDJFDV-QMMMGPOBSA-N 326.316 2.162 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587265471 UQXFUZBFSNGZNC-JTQLQIEISA-N 343.299 2.327 5 1 EEBF Nc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1N 587264655 PBZZBXATKQNUJP-UHFFFAOYSA-N 328.288 2.135 5 1 EEBF Nc1nc(NC(=O)c2ccccc2)c([N+](=O)[O-])c(-c2ccco2)n1 42989213 IQQSYONWTRBBJS-UHFFFAOYSA-N 325.284 2.479 5 1 EEBF COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c([N+](=O)[O-])c1 195373218 HFYNOSFWMNJZHB-CVYVPXSGSA-N 340.335 2.161 5 1 EEBF O=C(NCCc1nc2cncc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587228562 SSGQTAXCVJATSD-UHFFFAOYSA-N 341.327 2.335 5 1 EEBF Nc1ncc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cn1 587254844 QWUUTYPKVVEOIW-UHFFFAOYSA-N 333.311 2.572 5 1 EEBF CC(C)(O)[C@H]1Cc2c(c(O)cc3oc4cc(O)cc(O)c4c(=O)c23)O1 14514264 SVMJDJABXKINOS-CYBMUJFWSA-N 344.319 2.137 5 1 EEBF biogenic O=[N+]([O-])c1cnc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 586924207 LEYZLDYAYKNEIR-SREVYHEPSA-N 330.325 2.311 5 1 EEBF CCOC(=O)c1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 587273741 LAERBMYOZRABIE-UHFFFAOYSA-N 329.316 2.201 5 1 EEBF O=C(O)c1cccc(C(=O)O)c1-c1c(C(=O)O)cccc1[N+](=O)[O-] 26499911 IZTFIBCNPQKFKK-UHFFFAOYSA-N 331.236 2.356 5 1 EEBF NC(=O)c1nc([N+](=O)[O-])cn1CCc1ccc(OC(F)(F)F)cc1 1857587559 CEOIKDICYLUKCM-UHFFFAOYSA-N 344.249 2.032 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(CCO)cc2[nH]1 587270599 ODQUQSFJJZSULX-AWEZNQCLSA-N 326.356 2.248 5 1 EEBF COc1cncc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587268923 DRHLHQJUMSDXTC-UHFFFAOYSA-N 337.299 2.122 5 1 EEBF O=C(N[C@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)OC1)c1ccccc1 101436438 CHDWKVQHIPIQFB-KDYLLFBJSA-N 328.324 2.439 5 1 EEBF CCOC(=O)CCCn1c2ccccc2c2nc3nonc3nc21 474605036 FTNCOPQUIBYMTO-UHFFFAOYSA-N 325.328 2.464 5 1 EEBF O=[N+]([O-])c1c(Br)ccc2nc(C[C@H]3COCCO3)[nH]c12 586910785 SHMZYIJIKCYDAI-ZETCQYMHSA-N 342.149 2.192 5 1 EEBF CNC(=O)OCc1cc2c(cc1[N+](=O)[O-])N[C@H](CNC(C)C)CC2 29395959 RXINQHPKBDYGBC-ZDUSSCGKSA-N 336.392 2.176 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2nc(Cl)c[nH]c-2n1 587269404 MXKJJMWXQQITAV-UHFFFAOYSA-N 333.691 2.258 5 1 EEBF COc1nn(CCOCCN2CCCCC2)c2ccc([N+](=O)[O-])cc12 40845249 VFAPWVIDEXTQIG-UHFFFAOYSA-N 348.403 2.456 5 1 EEBF COC(=O)c1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cn1 587270692 QOSXJTNQSZCUOI-UHFFFAOYSA-N 326.312 2.438 5 1 EEBF CCOC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 653861041 GXWVATXLVIPGLX-POSISGSJSA-N 328.324 2.170 5 1 EEBF C[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)n1cc([N+](=O)[O-])cn1 587275904 HHQCNQHOEBBUAE-SECBINFHSA-N 329.316 2.438 5 1 EEBF C[C@@]1(Cn2cnc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 587514342 XEEMEMSNLNCIEU-KRWDZBQOSA-N 342.355 2.489 5 1 EEBF COc1cc2c3c(c1)O[C@](C)(Cn1cc([N+](=O)[O-])cn1)[C@@H](C2)C3=O 587430677 ANMGKYQLJKUWGG-BLLLJJGKSA-N 329.312 2.006 5 1 EEBF O=[N+]([O-])c1ccc(Cc2nc3c(Cl)ncnc3[nH]2)c([N+](=O)[O-])c1 587264687 PMSSHBCMQQYOQR-UHFFFAOYSA-N 334.679 2.414 5 1 EEBF NCCCCCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 64633456 PEGSMPHAYGPKIY-UHFFFAOYSA-N 326.309 2.132 5 1 EEBF in-vitro O=C(CCc1ccccc1)N[C@H](CO)COc1ccc([N+](=O)[O-])cc1 2178319929 LVXPUQQPBNLHMY-OAHLLOKOSA-N 344.367 2.084 5 1 EEBF Cc1ccc2oc3nc(C)c(C(=O)CC(=O)C(=O)O)cc3c(=O)c2c1 28645828 KVWKYQQJBMZAEQ-UHFFFAOYSA-N 339.303 2.185 5 1 EEBF C[C@@H](c1nc2cc(Br)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 587275642 FJRCTRYGKFDNAX-LURJTMIESA-N 337.137 2.434 5 1 EEBF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 586949635 WQXRIUXZZPISDL-UHFFFAOYSA-N 346.368 2.433 5 1 EEBF CC(C)(O)[C@@H](O)Cc1ccc2c(=O)c3c(O)cccc3oc2c1O 13382736 INRXCBYPXAPEDL-ZDUSSCGKSA-N 330.336 2.032 5 1 EEBF biogenic Cc1nc(NC[C@@H]2OCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821503 DCTDJGUQXJZXBR-CABZTGNLSA-N 332.364 2.024 5 1 EEBF O=c1c(O)c(Nc2ccc([N+](=O)[O-])cc2O)/c1=N/c1ccccc1 101087114 LXSMTFUUFKLGLR-LGMDPLHJSA-N 325.280 2.218 5 1 EEBF O=[N+]([O-])c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1F 586924532 RMUFJFHUINETMK-UHFFFAOYSA-N 327.337 2.468 5 1 EEBF COc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cn1 587262288 PSTPTUYMOSEEJX-UHFFFAOYSA-N 330.300 2.462 5 1 EEBF Cc1cncc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920254 GNACKXWOCHLVLF-UHFFFAOYSA-N 332.341 2.148 5 1 EEBF CCOC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274689 ZBRVEEADMZJLKR-UHFFFAOYSA-N 343.343 2.477 5 1 EEBF O=[N+]([O-])c1cccnc1NCc1nc2cc3c(cc2[nH]1)OCCO3 587269110 QBDHDBRVDISHRK-UHFFFAOYSA-N 327.300 2.249 5 1 EEBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2O 38306954 DWXDTNCZRDEMJI-YNCSRZAISA-N 345.395 2.176 5 1 EEBF C[C@H](O)[C@@]12C[N@+](C)([O-])[C@@H]3C[C@]14C(=Nc1ccccc14)[C@H]1C[C@@H]2[C@@H]3CO1 473110949 YHRIDASXCUOLRQ-GTTNNDKASA-N 340.423 2.143 5 1 EEBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(F)cnc(Br)c2[nH]1 587274204 GZLJFAWBAAUOJI-UHFFFAOYSA-N 341.100 2.168 5 1 EEBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccc(C)cc1 96929447 SZLHHGWLFDQOED-INIZCTEOSA-N 343.343 2.299 5 1 EEBF Cc1cc2c(cc1O)[C@@H](c1cc(O)cc([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963506981 GTDHVPMKBCOPDI-GOEBONIOSA-N 344.323 2.003 5 1 EEBF NC(=O)C1CCN(c2nc(-c3ccccc3[N+](=O)[O-])cs2)CC1 36380792 QVHZMVMCGBRRAM-UHFFFAOYSA-N 332.385 2.420 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587265763 XQLTVRIVFGVSAG-HDBBIHSSSA-N 349.318 2.061 5 1 EEBF COc1ccc(C[S@@](=O)c2ccc([N+](=O)[O-])c3nonc23)cc1 1857597845 FHEDSLKCNPZAEL-HSZRJFAPSA-N 333.325 2.447 5 1 EEBF COC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82083973 UUCDGKIYMSUHJG-MRVPVSSYSA-N 335.341 2.010 5 1 EEBF C[N+]1=C2C(c3ccc([N+](=O)[O-])cc3)=[N+]([O-])c3ccccc3N2CCC1 40380289 BQGRDWSMEPZQDY-UHFFFAOYSA-N 337.359 2.490 5 1 EEBF O=[N+]([O-])c1ccc2c(c1)[n+]([O-])c1n2CCc2c-1cccc2[N+](=O)[O-] 82153062 LSPYUJKFWIEWTA-UHFFFAOYSA-N 326.268 2.314 5 1 EEBF COc1cccc2c3c(cnc12)CCN[C@H]3c1nc[nH]c1[N+](=O)[O-] 963059710 TXNVYQPWTXBHSO-CQSZACIVSA-N 325.328 2.110 5 1 EEBF CNC(=O)N1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 5700356 PDLWQTVMGHECQL-UHFFFAOYSA-N 338.323 2.118 5 1 EEBF Cc1nn(-c2ccccn2)c(O)c1C(=O)Nc1ccccc1[N+](=O)[O-] 73221232 HOYDUUBKUXCXAR-UHFFFAOYSA-N 339.311 2.442 5 1 EEBF C[C@H]1CCC[C@H](C)N1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377803480 YQEDECCCEQUQKD-UWVGGRQHSA-N 340.316 2.258 5 1 EEBF C[C@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 653834962 JODOSHHBSNCLCJ-LBPRGKRZSA-N 333.388 2.314 5 1 EEBF CO[C@@]1(c2ccccc2)N=CC(=O)N(C)c2ccc([N+](=O)[O-])cc21 5700295 NDPFUBYMLCCUPA-QGZVFWFLSA-N 325.324 2.490 5 1 EEBF C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@@H]1C2 169292353 TVEJJYBKWFNIQS-ZTRFORPCSA-N 330.448 2.336 5 1 EEBF in-man C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261362 BMZXNMNGUOUSNP-KHQFGBGNSA-N 349.318 2.061 5 1 EEBF O=[N+]([O-])c1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1[N+](=O)[O-] 586968612 GITFBUAIUVMINP-UHFFFAOYSA-N 347.312 2.305 5 1 EEBF CCOC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 653861042 GXWVATXLVIPGLX-WYOIRBSXSA-N 328.324 2.170 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@H](C(=O)O)[C@@H]1c1cccc([N+](=O)[O-])c1 136203104 HZKLXXZXIMSELS-JSGCOSHPSA-N 332.312 2.301 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263147 KEHLOJVJSXADMW-CSMHCCOUSA-N 340.742 2.411 5 1 EEBF O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1cc(-c2ccccn2)[nH]n1 653873774 GIGOMAQSYRAPCB-UHFFFAOYSA-N 346.324 2.148 5 1 EEBF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1nc([N+](=O)[O-])cc1C 587650744 SKKQZGBKFKTDLE-UHFFFAOYSA-N 334.357 2.282 5 1 EEBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586963058 XRYSPMXVDBICCO-ZCFIWIBFSA-N 332.345 2.402 5 1 EEBF Nc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1CC(=O)O 587250387 SQJBOKCBGIXBNE-UHFFFAOYSA-N 330.275 2.487 5 1 EEBF Cn1cc(C2=NC[C@@]3(CN4CCC3CC4)O2)c2cc([N+](=O)[O-])ccc21 13451774 GTZYQVOYWWPMME-SFHVURJKSA-N 340.383 2.328 5 1 EEBF Nc1nc2oc3ccc(C4=CCOCC4)cc3c(=O)c2cc1C(=O)O 1857765781 RIFIXUUVXCZMHI-UHFFFAOYSA-N 338.319 2.425 5 1 EEBF O=c1ccc2nc3ccc(OCc4cn(CCF)nn4)cc3oc-2c1 199625720 IKCWDXVZOVZJTF-UHFFFAOYSA-N 340.314 2.433 5 1 EEBF COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2cc([N+](=O)[O-])ccc12 587647408 GYPOCHUHFMINBU-UHFFFAOYSA-N 342.311 2.141 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262677 HHJGCJXLYZQRLA-IEBDPFPHSA-N 332.316 2.132 5 1 EEBF Cn1cc(C2=NC[C@]3(CN4CCC3CC4)O2)c2cc([N+](=O)[O-])ccc21 13451779 GTZYQVOYWWPMME-GOSISDBHSA-N 340.383 2.328 5 1 EEBF Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 13685581 DPNBRBAUTCUMJF-UHFFFAOYSA-N 327.296 2.477 5 1 EEBF Cc1nc(N[C@@H]2CCCO[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821492 MUVKLQALFDQZKH-ZYHUDNBSSA-N 332.364 2.167 5 1 EEBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cc(C)on1 587649429 UTUAWEZCWIJEKW-UHFFFAOYSA-N 329.268 2.390 5 1 EEBF COC(=O)c1cccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267493 LCCXRLKQEIEUTG-VIFPVBQESA-N 329.316 2.372 5 1 EEBF Cc1cnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 586921066 WNZCYXBYJPOJAW-UHFFFAOYSA-N 332.341 2.148 5 1 EEBF COc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1OC 587269618 WLMYZQULCSDHKE-UHFFFAOYSA-N 329.316 2.495 5 1 EEBF COc1cc2c3c(c1)O[C@](C)(Cn1nc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O 587431650 PXNJTSZIWWCFNU-YVEFUNNKSA-N 343.339 2.315 5 1 EEBF Cc1ccc(OCc2cn(CCn3c([N+](=O)[O-])cnc3C)nn2)cc1 40916898 KKQKSKRAOQMJJS-UHFFFAOYSA-N 342.359 2.279 5 1 EEBF Cn1c2c(O)cccc2c(=O)c2c(O)cc3c(c21)C=C[C@](C)(CO)O3 13374004 WDEQSMPRZNCZDW-LJQANCHMSA-N 339.347 2.260 5 1 EEBF biogenic Cc1nc2sccc2c(=O)n1NC(=O)Nc1ccc([N+](=O)[O-])cc1 1857641923 WCZAIORBGJZEAK-UHFFFAOYSA-N 345.340 2.450 5 1 EEBF O=C(O)c1cc(C(=O)O)c(-c2ccccc2[N+](=O)[O-])c(C(=O)O)c1 26505882 AUDKFZWRCDZRDA-UHFFFAOYSA-N 331.236 2.356 5 1 EEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587266255 ZMIMSYSSYWIHNY-INTQDDNPSA-N 346.343 2.440 5 1 EEBF O=[N+]([O-])c1ccn(CCCc2nc3cc4c(cc3[nH]2)OCCCO4)n1 587273611 MQYVZIHPCVCPIT-UHFFFAOYSA-N 343.343 2.462 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2ccc(F)cc2)nn1 653719920 QLASLRYJLYGZHU-UHFFFAOYSA-N 345.338 2.143 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587274499 PLYFHQLSEHNIRL-SSDOTTSWSA-N 333.279 2.309 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccnc(Cl)c2[nH]1 587264194 COXCQGQJSDXGTQ-QMMMGPOBSA-N 333.735 2.468 5 1 EEBF C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903251 XAEURQMDVVCMOU-YOEHRIQHSA-N 345.330 2.179 5 1 EEBF O=C(NCc1ccc(OC(F)(F)F)cc1)c1nc([N+](=O)[O-])c[nH]1 1772636471 UJSHLQLJZSPXRC-UHFFFAOYSA-N 330.222 2.147 5 1 EEBF CCOC(=O)c1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])oc1C 1911584386 MMZPQNQMWOAWRJ-PFONDFGASA-N 336.325 2.476 5 1 EEBF COC(=O)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587274674 YLVRXOVPMRSLGF-UHFFFAOYSA-N 329.316 2.087 5 1 EEBF O=C1CS(=O)(=O)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 36376345 VZCAKZZSNOMOJT-HNNXBMFYSA-N 332.337 2.055 5 1 EEBF Nc1ncnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 587110211 WLBYYQIEEHWKPG-UHFFFAOYSA-N 338.249 2.453 5 1 EEBF Nc1ncc(Cl)nc1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 71296026 CWHBTWGSDNZUKL-UHFFFAOYSA-N 338.780 2.107 5 1 EEBF O=[N+]([O-])c1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c([N+](=O)[O-])c1 587263859 GYSFBUXCSWPMNP-UHFFFAOYSA-N 344.243 2.273 5 1 EEBF Nc1c(O)cccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](N)C(=O)O 587647666 LSDIZDADHZIOCS-CQSZACIVSA-N 342.311 2.115 5 1 EEBF CN(C)C(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269616 WEDAPTJQXJONNC-UHFFFAOYSA-N 340.343 2.180 5 1 EEBF O=[N+]([O-])c1ccn(Cc2ccc([C@H]3NCCc4ccc(O)cc43)o2)n1 963329538 OCQKLKDILVHFLI-KRWDZBQOSA-N 340.339 2.373 5 1 EEBF CC(C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 2356406227 QOMATUMHCQRUDT-ZDUSSCGKSA-N 328.320 2.432 5 1 EEBF COc1cc2c3c(c1)O[C@H](c1nc(OC)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434350 UAXRIVNHKBSGAN-BTDLBPIBSA-N 342.307 2.496 5 1 EEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cnc(Cl)[nH]c-4n3)nn2)c1 587269811 PDVRDUIMFQONNM-UHFFFAOYSA-N 342.706 2.114 5 1 EEBF O=[N+]([O-])c1cn(C[C@H](O)c2ccc(F)cc2)c(Br)n1 66077246 CFSHGTGRTQVUJP-VIFPVBQESA-N 330.113 2.427 5 1 EEBF CCOC(=O)[C@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1cccc([N+](=O)[O-])c1 36278512 XRYFAZQSOTYLGY-KBPBESRZSA-N 344.323 2.143 5 1 EEBF C[C@@]1(COc2ccc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 653733776 QULRMAITZURFMC-LBPRGKRZSA-N 344.249 2.435 5 1 EEBF O=[N+]([O-])c1ccc(F)c(F)c1Cc1ccc2c(O)nc(O)nc2n1 587367989 FBHKXMNFIVTBFE-UHFFFAOYSA-N 334.238 2.213 5 1 EEBF COc1ccc(-[n+]2noc(O)c2CNc2ccccc2[N+](=O)[O-])cc1 103172350 LCLYFMOVNDEONH-UHFFFAOYSA-O 343.319 2.186 5 1 EEBF C[C@@H](c1nc2ccc(Br)nc2[nH]1)n1cc([N+](=O)[O-])cn1 587275639 FHYBDBWYTOHNQI-LURJTMIESA-N 337.137 2.434 5 1 EEBF Cc1c2ccccc2nc2c1c1cc(NC(=O)[C@@H](N)CO)ccc1n2C 95558840 LXSPROGJGVIWCC-HNNXBMFYSA-N 348.406 2.446 5 1 EEBF Cc1c(-c2nc3c[nH]c(=N)[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] 586980399 XAFKOVWZNUCQPS-UHFFFAOYSA-N 349.148 2.363 5 1 EEBF CC(=O)c1cc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c(=O)n2c1CCC2 203460089 XSJAXIUYTLOILL-UHFFFAOYSA-N 342.307 2.271 5 3 EEBF Cc1cc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587256240 CNRMCWBYSDCSKV-SNVBAGLBSA-N 334.376 2.381 5 1 EEBF CN(C)CCN(C)c1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 101472599 VDKYTTCGYZBNQB-UHFFFAOYSA-N 336.395 2.142 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)OCO3 587269888 GBZWALVCDNMVFK-NSHDSACASA-N 326.312 2.442 5 1 EEBF Nc1nc2ccc3cc(Br)c([N+](=O)[O-])cc3c2c(=O)[nH]1 13832413 NRIRWLRWSGDYBN-UHFFFAOYSA-N 335.117 2.329 5 1 EEBF Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1 103889707 ZHDXWZTXAHEVKV-JURCDPSOSA-N 334.397 2.346 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587270823 QZKFMTDJTZJRCA-NSHDSACASA-N 328.288 2.017 5 1 EEBF CC(C)(NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 66156806 KQVXYLDLIMEFSM-UHFFFAOYSA-N 332.312 2.396 5 1 EEBF COc1cc(O)c2c(=O)c3c(O)c(OC)c(OC)c(O)c3oc2c1 238774922 QAEDNOBQEIAWSV-UHFFFAOYSA-N 334.280 2.089 5 1 EEBF Cc1cc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c(C)n1 586920041 DVGCKIFDOPODRS-UHFFFAOYSA-N 346.368 2.457 5 1 EEBF CO[C@]12CCO[C@H]1Oc1cc3oc4cccc(O)c4c(=O)c3c(O)c12 2356716952 CGLZIQOPCPNPAV-ROUUACIJSA-N 342.303 2.338 5 1 EEBF COc1cc2c(c3c1c(=O)c1cccnc1n3C)C[C@H]([C@@]1(C)CO1)O2 72122839 NZFPFIHKBSWAOR-AUUYWEPGSA-N 338.363 2.188 5 1 EEBF CS(=O)(=O)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772626806 NRFAFNIUKYUZGK-UHFFFAOYSA-N 341.436 2.470 5 1 EEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 587268093 LDNOELAJVPMUKR-UHFFFAOYSA-N 341.331 2.421 5 1 EEBF CCCc1nnc2c(O)nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12 13763202 UCYSIRDFOWPOOK-UHFFFAOYSA-N 339.315 2.030 5 1 EEBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3ccoc3)c(=O)c12 28655947 ZUOVHGAWAKFTQH-UHFFFAOYSA-N 343.726 2.238 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c([N+](=O)[O-])cccc21 587390946 SQJJWEVVVGTZSO-KRWDZBQOSA-N 339.307 2.298 5 1 EEBF Cn1c2c(O)cccc2c(=O)c2c(O)cc3c(c21)C=C[C@@](C)(CO)O3 13374005 WDEQSMPRZNCZDW-IBGZPJMESA-N 339.347 2.260 5 1 EEBF biogenic C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587274974 YKILLJJCIYGCMJ-SNVBAGLBSA-N 342.359 2.173 5 1 EEBF C=CC(=O)N(C[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1)C(C)C 28713212 JRWDZZIMBYRKMB-CQSZACIVSA-N 333.388 2.237 5 1 EEBF CCc1nc(N)nc(N)c1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 26503487 DYIOEQMDXBIELN-UHFFFAOYSA-N 328.376 2.379 5 1 EEBF Nc1cnc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)nc1 587253015 XTPDNKKBYOOYJH-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF CNC(=O)OCc1cc2c(cc1[N+](=O)[O-])N[C@@H](CNC(C)C)CC2 29395962 RXINQHPKBDYGBC-CYBMUJFWSA-N 336.392 2.176 5 1 EEBF O=[N+]([O-])c1ccc2c(c1)-c1n(c3ccc([N+](=O)[O-])cc3[n+]1[O-])CC2 82154094 HPJNTDQNSDNXOP-UHFFFAOYSA-N 326.268 2.314 5 1 EEBF CCOCCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719442 NKCXYRJVIOMXTG-KBPBESRZSA-N 349.343 2.016 5 1 EEBF CS(=O)(=O)/C=C/c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586923861 YUHFONUUZAGPOF-NSCUHMNNSA-N 346.162 2.249 5 1 EEBF CN(C)C(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2cccnc21 13824787 FKEVRCAJMXQTEZ-UHFFFAOYSA-N 325.328 2.095 5 1 EEBF O=[N+]([O-])c1cncc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586924702 UIFAPYCPRLTBOI-VOTSOKGWSA-N 330.325 2.311 5 1 EEBF O=C(N[C@H]1CO[C@H](c2cccc([N+](=O)[O-])c2)OC1)c1ccccc1 101099038 SNALIZIHAOIOAL-KDYLLFBJSA-N 328.324 2.439 5 1 EEBF O=[N+]([O-])c1c(O)sc2ccccc2/c1=N/CCCN1CCOCC1 103992380 NDDVFWHRMACHMU-VKAVYKQESA-N 349.412 2.138 5 1 EEBF COCCNc1ccc(-c2nc3ccnc(N)c3[nH]2)cc1[N+](=O)[O-] 587264227 DWRUQKHFGJMLEJ-UHFFFAOYSA-N 328.332 2.174 5 1 EEBF Cc1nc(N[C@H]2CCCO[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821490 MUVKLQALFDQZKH-PWSUYJOCSA-N 332.364 2.167 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3)=N2)cc1 40395092 FFRIFSZHDAGIJG-UHFFFAOYSA-N 331.353 2.394 5 1 EEBF N[C@H](Cc1cscn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587029744 TZEUXJXMRFVRPP-SSDOTTSWSA-N 334.317 2.078 5 1 EEBF CCOc1ccc2c(c1)n(O)c(-c1ccc([N+](=O)[O-])cc1)c(N)[n+]2=O 367802498 XRCCXOWIHMJYDF-UHFFFAOYSA-N 343.319 2.349 5 1 EEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccnc(O)c2[nH]1 587118029 NBVHPNCAXDYYHG-UHFFFAOYSA-N 342.237 2.144 5 1 EEBF CN1C(=O)CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21 13803738 JLCBYDSLJHLQQB-UHFFFAOYSA-N 340.295 2.317 5 1 EEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4nc(Cl)c[nH]c-4n3)nn2)c1 587270582 WANBLCHPHVAJTI-UHFFFAOYSA-N 342.706 2.114 5 1 EEBF COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c([N+](=O)[O-])c1 13154745 HFYNOSFWMNJZHB-OTSLLENHSA-N 340.335 2.161 5 1 EEBF O=C(O)CSc1ncccc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 586969785 ZWAFTTYGCLTVBZ-UHFFFAOYSA-N 331.313 2.105 5 1 EEBF Nc1ncc(Cl)nc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587086376 HSEXVYPILFLCCF-UHFFFAOYSA-N 335.667 2.072 5 1 EEBF Cc1c(Br)cnc2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc12 587275176 XZNYDYNSWLVUJS-UHFFFAOYSA-N 337.137 2.338 5 1 EEBF Nc1ncc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1[N+](=O)[O-] 587268379 UJOKFKBXOBACJB-UHFFFAOYSA-N 327.300 2.277 5 1 EEBF CN(C)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 5957650 PZHWTPZLTLIIEY-UHFFFAOYSA-N 327.340 2.296 5 1 EEBF O=C(NC[C@H](O)c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1F 72134875 REAPOLGJGGWPDO-AWEZNQCLSA-N 344.302 2.074 5 3 EEBF Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2c1=O 5161509 CWKSYBNRZBZLOU-UHFFFAOYSA-N 338.754 2.238 5 1 EEBF CCc1cnc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)nc1 66080430 MDOAIHSWEBALKV-UHFFFAOYSA-N 327.388 2.269 5 1 EEBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](n2ccccc2=O)[C@]1(C)O 13825233 UHUCDGDYRJPTQI-WBVHZDCISA-N 330.340 2.268 5 1 EEBF C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCCCCC(=O)O 96094887 GBFPILOKXGQZKW-AWEZNQCLSA-O 346.444 2.285 5 1 EEBF in-vitro Cn1nc([N+](=O)[O-])cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587275105 UPBUXJOKMALLKU-UHFFFAOYSA-N 327.279 2.196 5 1 EEBF O=C(NCCCCn1cnc([N+](=O)[O-])n1)c1nc2ccccc2s1 299828034 GPUWDIMZJWMPME-UHFFFAOYSA-N 346.372 2.006 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc([N+](=O)[O-])cc21 587389907 NPROERYFLVAKEY-QGZVFWFLSA-N 339.307 2.298 5 1 EEBF C[N+]1([O-])C[C@@H](O)c2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3 14715509 PUJJAPBMADETJQ-UDQUQLQASA-N 327.336 2.162 5 1 EEBF O=c1c2ccccc2c(=O)c2c1sc1c(=O)c3ncccc3c(=O)c12 208116075 HTKGJKHVRNCICD-UHFFFAOYSA-N 345.335 2.072 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3cn[nH]c3cc2[nH]1 587263924 IDMDNQXPOPBBMQ-JTQLQIEISA-N 338.327 2.296 5 1 EEBF O=C1NC(=O)C(N2CCc3ccccc32)=C1c1cccc([N+](=O)[O-])c1 14946044 BDNALELXSRUQLO-UHFFFAOYSA-N 335.319 2.025 5 1 EEBF COc1cc2c(c3c1c(=O)c1cccnc1n3C)C[C@H]([C@]1(C)CO1)O2 72122774 NZFPFIHKBSWAOR-KUHUBIRLSA-N 338.363 2.188 5 1 EEBF C=CC(=O)N(C[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1)C(C)C 28713211 JRWDZZIMBYRKMB-AWEZNQCLSA-N 333.388 2.237 5 1 EEBF C[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1cc([N+](=O)[O-])cn1 587276630 NIMWOTMYLBFVDW-RXMQYKEDSA-N 327.226 2.037 5 1 EEBF COc1cc2c3c(c1)O[C@](C)(Cn1ccc([N+](=O)[O-])n1)[C@@H](C2)C3=O 587430279 GGJCDWLRIONLHS-MEDUHNTESA-N 329.312 2.006 5 1 EEBF NC(=O)NCCC[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 587259766 MITQORUAPJXVNW-LBPRGKRZSA-N 349.398 2.108 5 1 EEBF CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645343 RFCAWOGOCFKWJR-UHFFFAOYSA-N 337.279 2.345 5 1 EEBF Cc1cccc(CCN=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)c1 263591981 UBWNKNJBZSEFEU-UHFFFAOYSA-N 339.355 2.271 5 3 EEBF O=C1CCc2cc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3cc2N1 587273188 IYBPDFHKDGSSBS-UHFFFAOYSA-N 340.343 2.185 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 587264077 AFYVQRKMCFEMHF-ZETCQYMHSA-N 343.303 2.530 5 1 EEBF O=C(Cc1ccc(F)cc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 473127907 WYWQSRUHHODMQK-UHFFFAOYSA-N 331.303 2.031 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587270423 XLZBJQGBGMBMRG-UHFFFAOYSA-N 343.255 2.166 5 1 EEBF O=C(O)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 13491462 DSXQEBLHPSPYIO-UHFFFAOYSA-N 336.281 2.045 5 1 EEBF C[C@@H](c1nc2cncc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276490 LGSQGIKEMWQRKV-LURJTMIESA-N 337.137 2.434 5 1 EEBF COCC[S@@](=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28261317 UHFNXVXEZDSZEY-DEOSSOPVSA-N 346.360 2.398 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCCc2c[nH]cn2)cc1 26247712 DUDGWBPMAVRMGY-UHFFFAOYSA-N 338.389 2.009 5 1 EEBF COc1cncc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587092463 PHRKKYVZXNSPAW-UHFFFAOYSA-N 342.237 2.301 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263303 LFDNWQXVXGYSPX-DVVUODLYSA-N 327.344 2.100 5 1 EEBF CC(C)(O)[C@H]1Cc2c(cc3oc4ccc(O)cc4c(=O)c3c2O)O1 13459607 GZXZUJRVFDZPFR-CQSZACIVSA-N 328.320 2.432 5 1 EEBF biogenic Nn1c(-c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc([N+](=O)[O-])cc1 169311060 IGWRCDXEZJONFE-UHFFFAOYSA-N 326.272 2.142 5 1 EEBF Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 4103727 ZHDXWZTXAHEVKV-NEBZKDRISA-N 334.397 2.346 5 1 EEBF Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2cccc([N+](=O)[O-])c2O)o1 103278124 CGAQCEXXWFSNEX-UHFFFAOYSA-N 331.244 2.264 5 1 EEBF Nc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1N 587092478 POTYTJSUMFZDPJ-UHFFFAOYSA-N 341.253 2.061 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Cl)nc2[nH]1 587266430 XKAJGFYNUIVYLO-QMMMGPOBSA-N 333.735 2.468 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587274248 OPNYDZOCQLEGRM-SSDOTTSWSA-N 327.304 2.053 5 1 EEBF Cn1c([N+](=O)[O-])cnc1C(=O)NCc1ccc(OC(F)(F)F)cc1 1857600348 FPFXTOKDDOFUMU-UHFFFAOYSA-N 344.249 2.157 5 1 EEBF CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])ccc1OC(C)=O 3193410 FGBUGRXYIBPBQO-AWEZNQCLSA-N 349.343 2.215 5 3 EEBF O=[N+]([O-])c1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1 473137232 XBTOPUQWHMBYJV-UHFFFAOYSA-N 340.328 2.084 5 1 EEBF O=C(O)CCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653700752 XBYIOPGNLOWGCK-UHFFFAOYSA-N 341.323 2.234 5 1 EEBF CCn1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(=O)OC)n1 587648038 YRRUEDKHIUPKPT-UHFFFAOYSA-N 342.311 2.315 5 1 EEBF COc1cc(O)c2c(=O)c3c(O)c(OC)c(O)c(OC)c3oc2c1 14438325 NQYVMORMBASBCH-UHFFFAOYSA-N 334.280 2.089 5 1 EEBF biogenic O=[N+]([O-])c1cncc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587171322 MELUSCJIXXDWBC-UHFFFAOYSA-N 330.275 2.463 5 1 EEBF CC(C)OC(=O)C1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC(F)(F)C1 587131814 UYPZEUSZPYKFRU-UHFFFAOYSA-N 340.286 2.485 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] 169724460 OSUCQKNXQBPLDG-ZFWWWQNUSA-N 346.339 2.389 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1 84759495 POJKJOZZBDKFOL-UHFFFAOYSA-N 344.287 2.030 5 1 EEBF NC(=O)c1c(F)ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1F 1772578476 RLQYPZFCIZMGON-UHFFFAOYSA-N 348.265 2.427 5 1 EEBF COc1ccc2c(=O)c3cc(C(=O)NC[C@@H](C)O)ccc3oc2c1 103228864 BOCQUUFGFXSIFV-SNVBAGLBSA-N 327.336 2.065 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587274615 QSAWSZKFNVMONY-SDBXPKJASA-N 329.320 2.195 5 1 EEBF COc1cc2c(c3[nH]c4ccccc4c(=O)c13)[C@@H](O)[C@H](O)C(C)(C)O2 13459137 SZCZIVYCHPRUFS-MSOLQXFVSA-N 341.363 2.255 5 1 EEBF biogenic COc1cncc(N)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587254878 XHRBPMXGBSDMOQ-UHFFFAOYSA-N 330.260 2.032 5 1 EEBF COc1cc(OC)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 587269696 YYENLANMMIXPCD-UHFFFAOYSA-N 329.316 2.495 5 1 EEBF Cc1ccc(OCCOc2ccc(C)nc2[N+](=O)[O-])c([N+](=O)[O-])n1 66136316 SRMKDJZNONOOJY-UHFFFAOYSA-N 334.288 2.368 5 1 EEBF Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1 34053752 MOGTYIPADGVXJV-UHFFFAOYSA-N 337.299 2.020 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587272920 BINPJAJKLVBOJP-UHFFFAOYSA-N 341.306 2.349 5 1 EEBF CCN(CC)C(=O)c1cc([N+](=O)[O-])c(=O)n2c1[nH]c1ccccc12 102961946 CZBGAPBNIDWVRF-UHFFFAOYSA-N 328.328 2.171 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)nc1 1857605666 AXNBVSLJKVDLQJ-UHFFFAOYSA-N 333.247 2.236 5 1 EEBF COc1ccc2c(=O)c3c(OC)c4c(cc3n(C)c2c1OC)OCO4 14721303 RATVKISXWJHNNK-UHFFFAOYSA-N 343.335 2.446 5 1 EEBF biogenic,in-vitro O=C(c1cc([N+](=O)[O-])ccc1O)n1ncc2ccc(Cl)cc2c1=O 587653479 XDGPFHZUGFIQIW-UHFFFAOYSA-N 345.698 2.352 5 1 EEBF COC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267986 VAZPRCOOEPEIKG-VIFPVBQESA-N 329.316 2.372 5 1 EEBF Nc1nc2ccc3ccc(Br)c([N+](=O)[O-])c3c2c(=O)[nH]1 13832410 VQHCXCBRGLBXBR-UHFFFAOYSA-N 335.117 2.329 5 1 EEBF CN(C)CCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 4154614 HXUICTWMWMKWSJ-UHFFFAOYSA-N 327.340 2.296 5 3 EEBF CC1=C(C(=O)OC2CCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 36185148 SXZLUWVUWJYIES-CQSZACIVSA-N 331.328 2.318 5 1 EEBF O=C(Cn1cc(-c2ccccc2[N+](=O)[O-])nn1)NCc1ccccc1 473148480 GHQSUOWSLXXMGU-UHFFFAOYSA-N 337.339 2.170 5 1 EEBF Nc1ncc(Cl)nc1-c1nc(Nc2ccc([N+](=O)[O-])cc2)no1 473156143 SPPNUALYPROTBS-UHFFFAOYSA-N 333.695 2.414 5 1 EEBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@]1(C)c1ccccc1 1857615796 DYWORPKHDWYHQS-MRXNPFEDSA-N 343.343 2.165 5 1 EEBF O=C1NC(=O)C(N2CCc3ccccc32)=C1c1ccc([N+](=O)[O-])cc1 27709374 SPQPVTKLSCZVOJ-UHFFFAOYSA-N 335.319 2.025 5 1 EEBF COC(=O)c1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587263170 KJKJOQAWIYQXGI-USWWRNFRSA-N 345.355 2.010 5 1 EEBF Nc1nc2ccc3cc([N+](=O)[O-])c(Br)cc3c2c(=O)[nH]1 13832394 VEZOHHXLYSKAIT-UHFFFAOYSA-N 335.117 2.329 5 1 EEBF COc1cc2c(c(O)c1OC)c(=O)c1ccc(OC)c(OC)c1n2C 14639461 AXXSRJDMKBWFRC-UHFFFAOYSA-N 345.351 2.432 5 1 EEBF biogenic CC1(C)Oc2cc3oc4ccc(O)cc4c(=O)c3c(O)c2C[C@H]1O 143613191 RRMPIEAXERVWKC-CQSZACIVSA-N 328.320 2.432 5 1 EEBF CN1CCc2cn(C)nc2[C@]1(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 963954850 MBUCTPRDNAXXOV-KRWDZBQOSA-N 343.387 2.060 5 1 EEBF CCO[C@@H]1CCOC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1857591437 MNHYVTDGXCARNC-GFCCVEGCSA-N 338.360 2.378 5 1 EEBF COC[C@]1(c2cccc([N+](=O)[O-])c2)c2ccsc2CCN1C(N)=O 962720961 YMHBQYIPZCMJFC-INIZCTEOSA-N 347.396 2.483 5 1 EEBF NC(=O)c1sc2c([N+](=O)[O-])cc(SC(F)(F)F)cc2[n+]1[O-] 38792063 IRJROIRFULTGIX-UHFFFAOYSA-N 339.276 2.154 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2ccccc2F)nn1 653723576 FJOVSDXIEWQRAE-UHFFFAOYSA-N 345.338 2.143 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587267212 GSNWGASODVODLX-ZETCQYMHSA-N 333.279 2.423 5 1 EEBF CCOC(=O)c1cc2c3cc([N+](=O)[O-])c(Cl)cc3nc(O)n2n1 13472577 KPANLJBOSYPJCF-UHFFFAOYSA-N 336.691 2.326 5 1 EEBF COc1cc2c3c(c1)O[C@](CO)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430681 AQAIHKYTTNXUPN-KBXCAEBGSA-N 341.319 2.239 5 1 EEBF CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645050 ITOCFGWGIBKDIJ-UHFFFAOYSA-N 337.279 2.345 5 1 EEBF CCOc1ccc(C(=O)CN2C=CC(N(C)C)C=C2)cc1[N+](=O)[O-] 2356822700 ICUUGNYUFVXEKM-UHFFFAOYSA-N 331.372 2.449 5 1 EEBF CCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1cccc([N+](=O)[O-])c1 36278509 XRYFAZQSOTYLGY-ZIAGYGMSSA-N 344.323 2.143 5 1 EEBF O=[N+]([O-])c1ccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587149398 RWUFHSWZMQVCQG-UHFFFAOYSA-N 333.235 2.492 5 1 EEBF COc1cc(OC)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 587273544 LRDOVANJTLDNHN-UHFFFAOYSA-N 331.332 2.318 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1OC 587265335 WOYMXFLZSWHTDY-OUAUKWLOSA-N 347.371 2.241 5 1 EEBF COc1cc2oc(=O)c3c(OC)c(O)cc4oc(=O)c(c1OC)c2c43 238786703 CMJLCBARQKYEKU-UHFFFAOYSA-N 344.275 2.222 5 1 EEBF CCOC(=O)c1cc(=O)c(O)c2oc3cc(N(C)C)ccc3nc1-2 653794500 JMFGRNULQZDAHK-UHFFFAOYSA-N 328.324 2.241 5 1 EEBF COc1c(O)ccc([C@H]2NCCc3c(C(=O)O)cccc32)c1[N+](=O)[O-] 963125752 TUBVZJCMBPHVSR-AWEZNQCLSA-N 344.323 2.242 5 1 EEBF CN1CC[C@@H](C(=O)c2cncc(-c3cccc([N+](=O)[O-])c3)c2)C1=O 205750774 UWAKFJDWHCENEH-HNNXBMFYSA-N 325.324 2.318 5 1 EEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587266262 ZMIMSYSSYWIHNY-MIMYLULJSA-N 346.343 2.440 5 1 EEBF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N+]2(C)CCC[C@@H]12 13681088 LTQHQDIRLBDYQH-HBZWFCMZSA-O 338.859 2.290 5 1 EEBF O=[N+]([O-])c1ccc2c(c1)c(O)nn2CCOCCN1CCCCC1 40412402 SZQDGCVZBKKXFB-UHFFFAOYSA-N 334.376 2.153 5 1 EEBF NS(=O)(=O)Oc1ccc2c(c1)oc1c3ccccc3oc(=O)c21 28086526 UXUNKAVQAKRKEX-UHFFFAOYSA-N 331.305 2.275 5 1 EEBF NC(=O)c1cccc2c(N3CCc4ccc([N+](=O)[O-])cc4C3)ncnc12 114346084 KTNNXZYOZQDUKN-UHFFFAOYSA-N 349.350 2.200 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587263539 BUAMIHPWWYOPBT-VIFPVBQESA-N 343.299 2.327 5 1 EEBF COc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cn1 587093173 XLNQURCGBIMEAM-UHFFFAOYSA-N 342.237 2.301 5 1 EEBF O=c1c2cc([N+](=O)[O-])ccc2n(CCCO)n1Cc1ccccc1 653702456 WZIUWYNBAAZUBX-UHFFFAOYSA-N 327.340 2.142 5 1 EEBF O=C(Cc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1[N+](=O)[O-] 1622311 YIKICLSWQBCOIW-ZDUSSCGKSA-N 330.296 2.391 5 1 EEBF O=C1CCc2cc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3cc2N1 587269604 VKHRREWLEBRIKV-UHFFFAOYSA-N 338.327 2.363 5 1 EEBF C[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)n1cc([N+](=O)[O-])cn1 587275912 HHQCNQHOEBBUAE-VIFPVBQESA-N 329.316 2.438 5 1 EEBF N=C(N)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587270463 YUDPSEQGDDBCBI-UHFFFAOYSA-N 339.311 2.147 5 1 EEBF NS(=O)(=O)c1ccc(-n2ncc([N+](=O)[O-])c2-c2ccccc2)cc1 3814717 PXSMFQAFNQHLOO-UHFFFAOYSA-N 344.352 2.095 5 1 EEBF C/C=C1\C[N+]2(C)CC[C@]34C(=O)c5ccccc5N3[C@@](C)(CO)[C@H]1C[C@@H]42 95911496 VWJNICHQVYXPAX-UEQQIDABSA-N 339.459 2.378 5 1 EEBF biogenic,in-vitro Nc1ncnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587269434 NMNLNOGJIGTVQX-UHFFFAOYSA-N 325.332 2.111 5 1 EEBF Nc1ncc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1[N+](=O)[O-] 587268189 NMDSZRKUHXTEOK-UHFFFAOYSA-N 335.226 2.437 5 1 EEBF COc1ccc(-[n+]2noc(O)c2CNc2ccc([N+](=O)[O-])cc2)cc1 98085703 QWBVIMZDWIIMMN-UHFFFAOYSA-O 343.319 2.186 5 1 EEBF Cn1ncc([N+](=O)[O-])c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875935 VSYNELVSIOCIIW-UHFFFAOYSA-N 329.247 2.125 5 1 EEBF C[C@@H](c1nc2cc(Br)ncc2[nH]1)n1cc([N+](=O)[O-])cn1 587275307 BQERUXZGYYSWGU-LURJTMIESA-N 337.137 2.434 5 1 EEBF Cc1cccc(OCc2cn(CCn3c([N+](=O)[O-])cnc3C)nn2)c1 40980173 XMVWTCNLIUUNBF-UHFFFAOYSA-N 342.359 2.279 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261365 BMZXNMNGUOUSNP-WEDXCCLWSA-N 349.318 2.061 5 1 EEBF COC(=O)c1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)nn1C 587279780 ANBWGVDOZMGBJN-UHFFFAOYSA-N 329.268 2.092 5 1 EEBF COc1cccc(Cn2cc([C@@H](O)c3ccc([N+](=O)[O-])cc3)nn2)c1 1772608076 FTTDUQDVVXVEFO-KRWDZBQOSA-N 340.339 2.325 5 1 EEBF CCC(=O)Nc1ccc(OC[C@@H](O)[C@@H](C)NC(C)C)c([N+](=O)[O-])c1 28768376 IXQGUDOQIHBYCA-BXUZGUMPSA-N 339.392 2.070 5 1 EEBF CCc1cc(-c2ccc3c(O)nc(O)nc3n2)c(O)c([N+](=O)[O-])c1 587556191 VRTMLAVKAJPYGN-UHFFFAOYSA-N 328.284 2.279 5 1 EEBF Nc1nc(O)c2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2n1 587270742 RVVAFPJTXCOGIF-UHFFFAOYSA-N 349.310 2.278 5 1 EEBF CCS(=O)(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587277662 ZRCFOVQNIPSMQG-VIFPVBQESA-N 349.372 2.071 5 1 EEBF O=C([C@H]1Cc2ccccc2[C@H](c2nc[nH]c2[N+](=O)[O-])N1)C(F)(F)F 962771102 VDNCHXFMZHPBNP-NXEZZACHSA-N 340.261 2.053 5 1 EEBF O=C(O)[C@H]1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]1C(=O)O 587970859 NORYKTZTCCJHEK-QKDCVEJESA-N 348.318 2.158 5 1 EEBF COc1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920484 LGXLVYHWZGVFGV-UHFFFAOYSA-N 347.352 2.454 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587274611 QSAWSZKFNVMONY-AMIZOPFISA-N 329.320 2.195 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Br)ccnc2[nH]1 587275044 ZZUPLORWNFEZCW-UHFFFAOYSA-N 337.137 2.182 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587265770 XQLTVRIVFGVSAG-ZOFUNIGCSA-N 349.318 2.061 5 1 EEBF O=C1N=C(NO)C(c2ccccc2)=C1c1ccc(O)c([N+](=O)[O-])c1 1857770703 DXLZRQAGTAGXJY-UHFFFAOYSA-N 325.280 2.129 5 1 EEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=N)N)cc2[nH]1 587267943 JIIMKRQZHUDEQG-UHFFFAOYSA-N 327.348 2.123 5 1 EEBF CCCCN(C(=N)N1CCCCC1)c1nc(C)c([N+](=O)[O-])c(=O)[nH]1 34571785 VLQDBFGURADHCD-UHFFFAOYSA-N 336.396 2.014 5 3 EEBF COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 195380139 OJSWZGUESFPIQQ-CVYVPXSGSA-N 340.335 2.161 5 1 EEBF CN(C)CCOc1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587268155 MHKIVHAKULAIMX-UHFFFAOYSA-N 342.359 2.056 5 1 EEBF CC(=O)[C@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 26377073 OYCSKQKYVYWFLJ-HOTGVXAUSA-N 344.367 2.036 5 1 EEBF O=c1nc2n(-c3ccccc3F)c3cccc(F)c3cc-2c(=O)[nH]1 28641603 YMOBHPJPUYXIHD-UHFFFAOYSA-N 325.274 2.457 5 1 EEBF COc1cc(OCc2nc3cnc(Cl)[nH]c-3n2)ccc1[N+](=O)[O-] 587262894 HFSRSZXYRVUSBR-UHFFFAOYSA-N 335.707 2.454 5 1 EEBF CS(=O)(=O)Nc1ccccc1Oc1nc(Cl)ncc1[N+](=O)[O-] 1857771675 LKETWIFNDGKEEB-UHFFFAOYSA-N 344.736 2.202 5 1 EEBF CN(C)CCNC(=O)c1cccc2nc3ccc4nccnc4c3nc12 27849006 SPFMBZYWUGHTKJ-UHFFFAOYSA-N 346.394 2.018 5 1 EEBF C[C@]1(Cn2cnc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 587514345 XEEMEMSNLNCIEU-QGZVFWFLSA-N 342.355 2.489 5 1 EEBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCO 27864384 GWZMPDDQYLCEJQ-UHFFFAOYSA-N 334.375 2.171 5 1 EEBF CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 96913474 COHWMTZRGAFORC-AWEZNQCLSA-N 346.255 2.335 5 1 EEBF Nc1ncc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cn1 587254043 FYIBUQQHPPHJKG-UHFFFAOYSA-N 333.311 2.572 5 1 EEBF CCOC(=O)Cc1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587268217 PAEOTLPXCUWEGB-UHFFFAOYSA-N 341.327 2.221 5 1 EEBF COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13136329 AQJMIPJCUWITQP-DZLLMUEISA-N 332.312 2.065 5 1 EEBF CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13145042 KLUFAIXBSGETEP-WCXIOVBPSA-N 329.356 2.485 5 1 EEBF CN1[C@@H]2CC[C@@H]1CC(n1nnc3cc([N+](=O)[O-])c(Cl)cc3c1=O)C2 100856502 NEYIAWIOWQSPRS-RKDXNWHRSA-N 349.778 2.151 5 1 EEBF Nc1ccc([S@@](=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 29480659 SGYJHXHAOBGOEO-QHCPKHFHSA-N 328.353 2.474 5 1 EEBF O=C1NC(=O)c2c1c1c(O)ccc(O)c1c1[nH]c3ccc(O)cc3c21 28710885 PXQCMDZPBGJDLW-UHFFFAOYSA-N 334.287 2.475 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587268109 XCMRJSCNPWVEAS-LURJTMIESA-N 341.253 2.346 5 1 EEBF Cc1cc([C@@H]2C[C@H](O)C(=O)O2)c2c(=O)c3c(O)cccc3oc2c1 1857567630 DXNLNGBOOYDAKC-AAEUAGOBSA-N 326.304 2.309 5 1 EEBF O=C1OCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 1857647452 DNCJXZIBOUNCLO-UHFFFAOYSA-N 334.309 2.066 5 1 EEBF C[C@H]1CCC[C@@H](C)N1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377803478 YQEDECCCEQUQKD-AOOOYVTPSA-N 340.316 2.258 5 1 EEBF O=[N+]([O-])c1cc(-c2nc3nc(Cl)c[nH]c-3n2)nn1CC(F)(F)F 587092599 SEBDQUFDSMQHLV-UHFFFAOYSA-N 347.644 2.292 5 1 EEBF COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[C@H]1OC2=O)CC[N+]3(C)[O-] 14583801 LAEQLQRWNDLBBU-KNFXUPHZSA-N 331.368 2.373 5 1 EEBF O=c1c2ccc(O)cc2oc2cc(OCCCO[N+](=O)[O-])cc(O)c12 1857635691 RJOZXRJHUIQCKV-UHFFFAOYSA-N 347.279 2.335 5 1 EEBF COC(=O)c1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587263168 KJKJOQAWIYQXGI-ADEWGFFLSA-N 345.355 2.010 5 1 EEBF O=[N+]([O-])c1cc(-c2nnn(Cc3cccc(F)c3)n2)cc([N+](=O)[O-])c1 1772605662 VNEGPBNKKWBVHU-UHFFFAOYSA-N 344.262 2.344 5 1 EEBF O=[N+]([O-])c1ccn(Cc2ccc([C@@H]3NCCc4ccc(O)cc43)o2)n1 963329539 OCQKLKDILVHFLI-QGZVFWFLSA-N 340.339 2.373 5 1 EEBF CCS(=O)(=O)c1cccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 586922184 RFBVTYHVYSSIKY-UHFFFAOYSA-N 346.368 2.251 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc([N+](=O)[O-])cc21 587389895 NPROERYFLVAKEY-KRWDZBQOSA-N 339.307 2.298 5 1 EEBF C[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1cc([N+](=O)[O-])cn1 587276632 NIMWOTMYLBFVDW-YFKPBYRVSA-N 327.226 2.037 5 1 EEBF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587044228 XUZJWYWJSVIBLI-JTQLQIEISA-N 335.389 2.486 5 1 EEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1cccc(O)c1n2C 14639440 QYPQTPVQPNLXHV-UHFFFAOYSA-N 331.324 2.129 5 1 EEBF endogenous,in-man COc1cc2c3c(c1)O[C@](CO)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587430903 CIPIZRVAXHBSPK-KBXCAEBGSA-N 341.319 2.239 5 1 EEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C(N)=O)c3[nH]2)c1 587262161 PALGFADSIQKJBO-UHFFFAOYSA-N 340.339 2.500 5 1 EEBF COc1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260943 MLVYHDUMLCXNCW-UHFFFAOYSA-N 341.327 2.439 5 1 EEBF COC(=O)c1cccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587274223 OFDMYBWMZKXHKC-VIFPVBQESA-N 329.316 2.258 5 1 EEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(C(F)(F)F)nc1)C2 72123367 LUJXFKTZDJKJLJ-VIFPVBQESA-N 344.249 2.183 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587267539 MLEPTNDXTMJDTA-SDBXPKJASA-N 329.320 2.309 5 1 EEBF Nc1ccc([C@H](O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 98083316 RGHAZUGJFZHQTG-ZAFLOJKISA-N 327.340 2.040 5 1 EEBF COc1c2c(c(OC)c3c1c(=O)c1cccc(OC)c1n3C)OCO2 95486024 UZIYSNVECDPBDH-UHFFFAOYSA-N 343.335 2.446 5 1 EEBF biogenic,in-vitro O=[N+]([O-])c1ccc(Cc2nc3ccc(CO)cc3[nH]2)c([N+](=O)[O-])c1 587264549 NNHGEFRLCMRWBO-UHFFFAOYSA-N 328.284 2.462 5 1 EEBF CCOC(=O)c1nc(O)c2cc3ccc(OC)c(OC)c3nc2n1 26640393 ZNIJQCQWACHEKI-UHFFFAOYSA-N 329.312 2.078 5 1 EEBF O=c1c2ccccc2[nH]c2cc(OC[C@H]3CO3)cc(OC[C@@H]3CO3)c12 49033548 HPXFMZRHFJLXIK-STQMWFEESA-N 339.347 2.237 5 1 EEBF Nc1nc2ccc3c([N+](=O)[O-])c(Br)ccc3c2c(=O)[nH]1 13832409 VRNRSOSCTMHPRI-UHFFFAOYSA-N 335.117 2.329 5 1 EEBF CCOC(=O)c1cn[nH]c1NC(=S)Nc1ccc([N+](=O)[O-])cc1 103211484 CGSQJDMWKPSXMB-UHFFFAOYSA-N 335.345 2.304 5 1 EEBF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12 253638541 LTQHQDIRLBDYQH-DQLGPHAMSA-O 338.859 2.290 5 1 EEBF O=C(NCCCn1cnc([N+](=O)[O-])n1)c1cc2ccccc2s1 299833300 KMSVNBDLCMTETB-UHFFFAOYSA-N 331.357 2.221 5 1 EEBF O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)n1nnc2ccccc21 1857638208 CIERXOMPVYKENL-UHFFFAOYSA-N 336.263 2.134 5 1 EEBF Cc1ccc(NCCNCCO)c2c(=O)c3ccc(O)cc3sc12 100823399 XRHWHEXWJCCYSX-UHFFFAOYSA-N 344.436 2.423 5 1 EEBF O=C(O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085213 LUWAVSSHDBOWTF-LBPRGKRZSA-N 347.352 2.408 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(CO)cc2[nH]1 587269442 NPXXHXPZBAIOKC-UHFFFAOYSA-N 327.296 2.355 5 1 EEBF O=[N+]([O-])c1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1 587264969 QRUCMMKGXZOAKX-UHFFFAOYSA-N 344.243 2.273 5 1 EEBF CC(C)OC(=O)C1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC(F)(F)C1 587131973 YCFSUBXZAIRSRU-UHFFFAOYSA-N 340.286 2.485 5 1 EEBF Cc1nc(N(C)C)ncc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587194226 BBSIKAYHTKMRBT-UHFFFAOYSA-N 343.303 2.211 5 1 EEBF CC(C)(SCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)O 586959522 PSPBJJWODMGTCC-UHFFFAOYSA-N 340.317 2.476 5 1 EEBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cnnc(O)c3[nH]2)c1 587270337 VKSGEMKPGSIPDJ-UHFFFAOYSA-N 326.316 2.234 5 1 EEBF CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1 3814006 YSANROTYHBNTDV-UHFFFAOYSA-N 337.405 2.385 5 1 EEBF O=C(c1ccc([N+](=O)[O-])cc1)C(Cn1ccnc1)Cn1ccnc1 28874462 NHQMESGMIUFQRN-UHFFFAOYSA-N 325.328 2.187 5 1 EEBF N[C@@H](N=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274714 ZPZHLYGJJKFNON-AWEZNQCLSA-N 329.320 2.024 5 1 EEBF CC(C)(O)[C@H](O)Cc1ccc2c(=O)c3c(O)cccc3oc2c1O 13382735 INRXCBYPXAPEDL-CYBMUJFWSA-N 330.336 2.032 5 1 EEBF biogenic Cc1cc(C)cc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 1619714 CQMRFEMSYCXHHU-UHFFFAOYSA-N 332.363 2.201 5 1 EEBF COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NNC(=O)C2 28255935 BABUXLQHJGYDRZ-UHFFFAOYSA-N 341.323 2.037 5 1 EEBF Cc1cc(N(C)Cc2nc3ccnc(N)c3[nH]2)c([N+](=O)[O-])cc1F 587136936 LNPLOTRDQBTTDP-UHFFFAOYSA-N 330.323 2.532 5 1 EEBF CCCNC[C@@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 71282037 XOFZLAVJKGISHX-GFCCVEGCSA-N 343.379 2.391 5 1 EEBF CCC(=O)Nc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c([N+](=O)[O-])c1 28768380 IXQGUDOQIHBYCA-SMDDNHRTSA-N 339.392 2.070 5 1 EEBF COC(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2n1 587270364 MZVIWRFFBSSFAY-UHFFFAOYSA-N 326.312 2.438 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1F 587263026 JJAFCQRXHBSNOX-GUBZILKMSA-N 335.335 2.371 5 1 EEBF CCS(=O)(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586922848 SZYHXOURHPMUSW-UHFFFAOYSA-N 332.341 2.327 5 1 EEBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@H]2O 15203900 DWXDTNCZRDEMJI-CUWQPKQQSA-N 345.395 2.176 5 1 EEBF O=[N+]([O-])c1ccc(Cc2nnc(Cn3nnc4ccccc43)o2)cc1 653720283 SASRISAEXWXIIH-UHFFFAOYSA-N 336.311 2.362 5 1 EEBF Cn1cc(-c2ncc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)s2)cn1 587022439 YXXGQVLMTLYRDH-UHFFFAOYSA-N 327.329 2.390 5 1 EEBF O=[N+]([O-])c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1F 586966599 KSKCTNSFDQRACG-UHFFFAOYSA-N 337.292 2.104 5 1 EEBF COc1cc(OCc2nc3cncc(OC)c3[nH]2)ccc1[N+](=O)[O-] 587261685 GMEUJHUXNLXAET-UHFFFAOYSA-N 330.300 2.462 5 1 EEBF O=c1c2ccccc2oc2c(CN3CCN(CCO)CC3)cccc12 1857586410 AUDVGFZXJNUIKW-UHFFFAOYSA-N 338.407 2.056 5 1 EEBF COCCNc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1[N+](=O)[O-] 587262266 PGEZUVVVBBDBPW-UHFFFAOYSA-N 342.359 2.361 5 1 EEBF CCOC(=O)CNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 40915763 GSEHTJFCQNVYDK-UHFFFAOYSA-N 325.320 2.239 5 1 EEBF C[C@@H]1CCC[C@@H](C)N1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377803479 YQEDECCCEQUQKD-NXEZZACHSA-N 340.316 2.258 5 1 EEBF COC(=O)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268926 NHZPGQPTQHSVFG-UHFFFAOYSA-N 327.300 2.265 5 1 EEBF COC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587267985 VAZPRCOOEPEIKG-SECBINFHSA-N 329.316 2.372 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cnc(Cl)[nH]c-2n1 587269031 HUKAEGLYHDWRIF-UHFFFAOYSA-N 333.691 2.258 5 1 EEBF Cc1ccc(CNC(=O)[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)o1 8578682 MKZACRBXGLKRBT-OAHLLOKOSA-N 329.312 2.306 5 3 EEBF Nc1nc(-c2ccccc2)cn2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12 1772643268 LBSVNCGFPQLKIR-UHFFFAOYSA-N 348.322 2.038 5 1 EEBF COc1cccc(Cn2cc([C@H](O)c3ccc([N+](=O)[O-])cc3)nn2)c1 1772608077 FTTDUQDVVXVEFO-QGZVFWFLSA-N 340.339 2.325 5 1 EEBF CCOc1cc(NCCN2CCOCC2)c([N+](=O)[O-])cc1OCC 23408588 WJHLCJZOILGIQY-UHFFFAOYSA-N 339.392 2.136 5 3 EEBF Nc1ncc(-c2nc3cc(Br)cnc3[nH]2)cc1[N+](=O)[O-] 587267908 IDXWTKSQTHBCTF-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF COC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272817 AQTDYCDFVJJUCQ-VIFPVBQESA-N 329.316 2.258 5 1 EEBF O=C(NCCc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCc1ccccc1 587228631 VIGRAHOCXHJLDJ-UHFFFAOYSA-N 341.327 2.335 5 1 EEBF COC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274367 UEMRYZBWCJVSJF-UHFFFAOYSA-N 329.316 2.087 5 1 EEBF N[C@H](N=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268688 JFKDTXHIWDDWOB-CYBMUJFWSA-N 327.304 2.202 5 1 EEBF CC(C)[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 13816987 CZRAMINBBGMXAA-QGZVFWFLSA-N 331.416 2.492 5 1 EEBF NS(=O)(=O)Oc1ccc2c(c1)oc(=O)c1c3ccccc3oc21 28088056 LKBZBFHWCAZWGN-UHFFFAOYSA-N 331.305 2.275 5 1 EEBF CCO[C@@H]1Sc2nnc(CC)n2N=C1c1ccc([N+](=O)[O-])cc1 103174229 LEPRSXUIWHIKJN-CYBMUJFWSA-N 333.373 2.469 5 1 EEBF O=C(/C=C/c1ccccc1)N[C@H](CO)COc1ccc([N+](=O)[O-])cc1 2178319876 FXLSLEJCOQQYKF-KDHUCADRSA-N 342.351 2.164 5 1 EEBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1CC(=O)Nc1ccccc1 1857588851 VBMJMNVZSGCVHL-UHFFFAOYSA-N 344.352 2.313 5 1 EEBF NC(=O)c1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O 299860431 JIOCCGAXFKHUJF-UHFFFAOYSA-N 338.323 2.264 5 1 EEBF COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2COC(C)=O 14774883 MXIJLTRSYDOKCJ-UHFFFAOYSA-N 343.335 2.398 5 1 EEBF biogenic,in-vitro Nc1nc(=O)n(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1F 73166880 PAAUOFKINUNCIM-UHFFFAOYSA-N 330.275 2.181 5 1 EEBF O=[N+]([O-])c1ccc(CSc2nnc(CO)n2-c2cccnc2)cc1 618017258 JOXZZLICAIKIKY-UHFFFAOYSA-N 343.368 2.355 5 1 EEBF CO[C@]1(c2ccccc2)N=CC(=O)N(C)c2ccc([N+](=O)[O-])cc21 5700299 NDPFUBYMLCCUPA-KRWDZBQOSA-N 325.324 2.490 5 1 EEBF Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1[N+](=O)[O-] 14974608 XFTZDXRDJSANOZ-UHFFFAOYSA-N 333.739 2.030 5 1 EEBF Cc1cc(=O)oc2c1ccc1c(OCC(=O)NCCCO)cccc12 84586973 HIMBOZLCGKRKHP-UHFFFAOYSA-N 341.363 2.132 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262676 HHJGCJXLYZQRLA-FBIMIBRVSA-N 332.316 2.132 5 1 EEBF O=[N+]([O-])c1cccc(CSc2nnc(N3CCNCC3)s2)c1 1857535145 UZZHYQJYCLXLER-UHFFFAOYSA-N 337.430 2.148 5 1 EEBF O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]2OCCCN12 36389444 ZIPVXVFIMLXIJT-ZDUSSCGKSA-N 345.277 2.009 5 3 EEBF COC(=O)c1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cn1 587159503 PQBRYFWOVJUAHX-UHFFFAOYSA-N 346.274 2.371 5 1 EEBF O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(S)s3)nc2c1 587025243 JUGMFBZPGYQEFD-UHFFFAOYSA-N 326.388 2.299 5 1 EEBF CC1(C)C[N@]1P(=O)(OCCn1ccnc1[N+](=O)[O-])[N@@]1CC1(C)C 1857535793 RCRCUBUCRUHRIX-IRXDYDNUSA-N 343.324 2.104 5 1 EEBF COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261184 XQOJYEKTYAYDDT-UHFFFAOYSA-N 345.271 2.459 5 1 EEBF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587051939 GTYDZXLXWICZHT-SECBINFHSA-N 333.735 2.468 5 1 EEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1cccc(OC)c1n2C 26663652 KBGVIWXZMCVPQL-UHFFFAOYSA-N 345.351 2.432 5 1 EEBF O=[N+]([O-])c1cc(-c2nc3cnc(Cl)[nH]c-3n2)nn1CC(F)(F)F 587092535 RAEUUZJQDGMHLO-UHFFFAOYSA-N 347.644 2.292 5 1 EEBF O=C(Cn1cc([N+](=O)[O-])cn1)n1nc2cc1Oc1ccc(F)cc1-2 587875118 NNUVYKCOCCXIEG-UHFFFAOYSA-N 329.247 2.240 5 1 EEBF CCOC(=O)Cc1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587277465 WMJYLVQBHKWQNB-SNVBAGLBSA-N 343.343 2.383 5 1 EEBF O=[N+]([O-])c1cc(-[n+]2cc(O)on2)ccc1N1CCc2ccccc21 5500355 REIKGZJBRJPXAL-UHFFFAOYSA-O 325.304 2.259 5 1 EEBF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc([N+](=O)[O-])cnc3[nH]1)C2 587247526 TVMYGGQTLCRVNF-KRWDZBQOSA-N 339.355 2.218 5 1 EEBF Cc1ccc2c(c1)[N+](Cc1ccc([N+](=O)[O-])cc1)=CNS2(=O)=O 169690078 BPPPCZVGODDRPP-UHFFFAOYSA-O 332.361 2.068 5 1 EEBF CCOC(=O)c1nc(O)c2cc3cc(OC)c(OCC)cc3nc2n1 26580249 VAFCQMRLRFONTM-UHFFFAOYSA-N 343.339 2.468 5 1 EEBF O=C(O)Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 40565941 IAIVFVGSEHIQGE-UHFFFAOYSA-N 340.295 2.281 5 1 EEBF CN1CCc2cn(C)nc2[C@@]1(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 963954862 MBUCTPRDNAXXOV-QGZVFWFLSA-N 343.387 2.060 5 1 EEBF O=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13760666 VAVBWHIBLOPOEM-UHFFFAOYSA-N 339.307 2.281 5 1 EEBF CN(C(=O)c1cccc2nc3cccc(Cl)c3nc12)S(C)(=O)=O 1857750017 OETACEOXMZFYCS-UHFFFAOYSA-N 349.799 2.468 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(C(=O)O)cc2[nH]1 587270057 JDHJIMKEEOJWDS-LBPRGKRZSA-N 326.312 2.412 5 1 EEBF COCCOc1ccc(-c2nc3ccnc(O)c3[nH]2)cc1[N+](=O)[O-] 587266024 TZZZEKXSDDAEBT-UHFFFAOYSA-N 330.300 2.264 5 1 EEBF CCS(=O)(=O)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586922260 KUTSUIZOGHLIBU-UHFFFAOYSA-N 332.341 2.327 5 1 EEBF CCCOC[C@@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 28713293 FBUYUMZYGKPLNJ-HNNXBMFYSA-N 330.388 2.348 5 1 EEBF in-vitro O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cc2ccccc2)cc1 473116260 WHZYACBFGYHXPS-UHFFFAOYSA-N 337.339 2.416 5 1 EEBF CCOc1cccc2nc3cccc(C(=O)NCCN(C)C)c3nc12 5808503 UMRUZNLMUKBQKE-UHFFFAOYSA-N 338.411 2.473 5 1 EEBF C[N+](C)([O-])CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 101446266 JVJKOVPUHUJOAK-UHFFFAOYSA-N 338.367 2.130 5 1 EEBF CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2cccc([N+](=O)[O-])c12 587647342 FZMNCCMIJGIDNA-UHFFFAOYSA-N 342.311 2.310 5 1 EEBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586962988 VYNLHTLAIJBANJ-LURJTMIESA-N 332.345 2.402 5 1 EEBF C[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 587652785 KAKSQZWXOVTMHQ-MRVPVSSYSA-N 347.718 2.056 5 1 EEBF CCCc1c2nc(C(=O)O)cc(N)c2cc2c(=O)cc(C(=O)O)oc12 29234878 HFVNQSBUMHCMLV-UHFFFAOYSA-N 342.307 2.272 5 1 EEBF CC(=O)Nc1ccc(/C=C\c2ccc3c(c2)no[n+]3[O-])cc1[N+](=O)[O-] 28648461 FBQHOOCDPPHKDD-IHWYPQMZSA-N 340.295 2.498 5 1 EEBF NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cnc(Cl)nc1 95920635 FZWJCGAXJODLPL-UHFFFAOYSA-N 342.142 2.403 5 1 EEBF in-vitro Cc1nc(NC[C@@H]2OCCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821473 MNNKNLNQRFDCAD-MFKMUULPSA-N 346.391 2.414 5 1 EEBF CCCc1c(O)ccc2c1O[C@@](C)(Cn1cnc([N+](=O)[O-])n1)CC2=O 587472075 XIXUMPYNMCVATK-MRXNPFEDSA-N 346.343 2.269 5 1 EEBF Cn1cc(-c2ncc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)s2)cn1 587021758 OQKLPQINUXUSQW-UHFFFAOYSA-N 327.329 2.390 5 1 EEBF COc1cc(OCc2nc3nc(Cl)c[nH]c-3n2)ccc1[N+](=O)[O-] 587263437 UJGRAALCWYHTRS-UHFFFAOYSA-N 335.707 2.454 5 1 EEBF COc1ccc2c(c1)CC[C@@](N)(c1nc3cncc([N+](=O)[O-])c3[nH]1)C2 587247285 OQWSUGRCRNOTGL-KRWDZBQOSA-N 339.355 2.218 5 1 EEBF O=C1CO[C@@H](COc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 28714047 NYMZKRHBANMRTI-MRXNPFEDSA-N 328.324 2.406 5 1 EEBF NCCOc1ccc2sc3ccc(OCCN)cc3c(=O)c2c1 35812787 HMGFUDREZLTTEO-UHFFFAOYSA-N 330.409 2.090 5 1 EEBF CC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261640 CYHITWFYJTXYKV-TVYUQYBPSA-N 329.356 2.426 5 1 EEBF Nc1nc(O)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2n1 587265199 PRVQSNSLPQRDHL-UHFFFAOYSA-N 338.283 2.476 5 1 EEBF CN1CC[C@H](C(=O)c2cncc(-c3cccc([N+](=O)[O-])c3)c2)C1=O 205750755 UWAKFJDWHCENEH-OAHLLOKOSA-N 325.324 2.318 5 1 EEBF O=[N+]([O-])c1ccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)cc1 473135959 LSAVDEWOBSLJGA-UHFFFAOYSA-N 340.328 2.084 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3c(cc2[nH]1)OCCCO3 587274915 WKRFQQHQLNQTKS-UHFFFAOYSA-N 329.316 2.186 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c([N+](=O)[O-])cccc21 587390947 SQJJWEVVVGTZSO-QGZVFWFLSA-N 339.307 2.298 5 1 EEBF CCc1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C 14944848 ZBJKALKLXJZRRE-YPKPFQOOSA-N 341.414 2.155 5 1 EEBF CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3cccc([N+](=O)[O-])c23)cn1 587647675 LZPGSOOOIDWHPK-UHFFFAOYSA-N 342.311 2.310 5 1 EEBF COc1ccccc1Cc1nnc(Cn2c([N+](=O)[O-])cnc2C)o1 84759497 OULLNRUNEBWLRB-UHFFFAOYSA-N 329.316 2.130 5 1 EEBF CCOC(=O)CNc1nc(Nc2cccc(OC)c2)ncc1[N+](=O)[O-] 653872541 ZVBNCJQCFPOTAV-UHFFFAOYSA-N 347.331 2.112 5 1 EEBF CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(=O)OC)cn1 587647607 KCHWZHAXHJUPOO-UHFFFAOYSA-N 342.311 2.315 5 1 EEBF COc1cc(OC)c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2c1 14438316 BTJSBTYPVHSOPX-UHFFFAOYSA-N 348.307 2.392 5 1 EEBF biogenic O=C(Cc1cccc(F)c1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 473123176 KWGYCSSPVPTIMO-UHFFFAOYSA-N 331.303 2.031 5 1 EEBF COc1ccccc1Cn1c2nc(=O)nc(O)c-2nc2ccccc21 261075937 AWWWUNPSWOYLDO-UHFFFAOYSA-N 334.335 2.054 5 1 EEBF CCn1nccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(=O)OC 587647946 VAHQFPNJQGATGV-UHFFFAOYSA-N 342.311 2.315 5 1 EEBF COc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260760 CMHGYLMBNZDWAF-UHFFFAOYSA-N 342.311 2.254 5 1 EEBF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 587649413 URASAAOENYQOBL-UHFFFAOYSA-N 325.280 2.494 5 1 EEBF CC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13154186 WLADKGWPKZATAW-LTIDMASMSA-N 329.356 2.485 5 1 EEBF O=[N+]([O-])c1cnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 587118789 QFGWPXOOOLGJEC-UHFFFAOYSA-N 326.238 2.324 5 1 EEBF O=[N+]([O-])c1cc(Br)cc2nc(C[C@@H]3COCCO3)[nH]c12 586908524 BZHYGNMHWNEBTD-MRVPVSSYSA-N 342.149 2.192 5 1 EEBF Nc1nc2oc3ccc(C4CCNCC4)cc3c(=O)c2cc1C(=O)O 1857537455 UWBCIUTVTKTYST-UHFFFAOYSA-N 339.351 2.089 5 1 EEBF Cc1cc(N(C)Cc2nc3cc(N)ncc3[nH]2)c([N+](=O)[O-])cc1F 587136636 HXZVIOBYIJCWQS-UHFFFAOYSA-N 330.323 2.532 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)ncnc2[nH]1 587270443 YAPFZEQIXCYMCB-UHFFFAOYSA-N 333.691 2.306 5 1 EEBF O=C(Nc1nn[nH]n1)c1cccc2nc3cccc(Cl)c3nc12 1857745001 LZFDZPCCRQSIDD-UHFFFAOYSA-N 325.719 2.202 5 1 EEBF COc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1OC 587274121 SUKZLGMMDKTUNF-UHFFFAOYSA-N 331.332 2.318 5 1 EEBF COCCNc1ccc(-c2nc3c(N)ccnc3[nH]2)cc1[N+](=O)[O-] 587265817 RLZRAKBEDVIPAO-UHFFFAOYSA-N 328.332 2.174 5 1 EEBF COCCNc1ccc(-c2nc3cc(N)ncc3[nH]2)cc1[N+](=O)[O-] 587266069 VERWTAXQEGSRQZ-UHFFFAOYSA-N 328.332 2.174 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc(-c3ccccn3)[nH]n2)cc1 653880643 ALCAXSNXMPOOPX-UHFFFAOYSA-N 346.324 2.148 5 1 EEBF Cc1nccc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 586921118 YJHLANMWPFDZMA-UHFFFAOYSA-N 332.341 2.148 5 1 EEBF CC1(C)C[C@](O)([C@H]2CCC[S@]2=O)c2cc([N+](=O)[O-])ccc2O1 27639083 NSSSVRCZXMQZMF-QCPUYCGNSA-N 325.386 2.255 5 1 EEBF NC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148146 CFGZACZPNHLAHL-UHFFFAOYSA-N 330.275 2.288 5 1 EEBF COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2cccc([N+](=O)[O-])c12 587648450 DXMREKXLQXADPG-UHFFFAOYSA-N 329.268 2.395 5 1 EEBF O=C(Nc1ccccc1N1CC[C@H](CO)C1)c1ccc([N+](=O)[O-])o1 28960808 NJTNSYVJJGMGAP-NSHDSACASA-N 331.328 2.259 5 1 EEBF CN1[C@H]2CC[C@@H]1CC(n1nnc3cc([N+](=O)[O-])c(Cl)cc3c1=O)C2 10168 NEYIAWIOWQSPRS-ULKQDVFKSA-N 349.778 2.151 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@H](C(=O)O)[C@H]1c1cccc([N+](=O)[O-])c1 136203009 HZKLXXZXIMSELS-GXTWGEPZSA-N 332.312 2.301 5 1 EEBF O=[N+]([O-])c1cc(-c2nc3cc(F)cnc3[nH]2)nn1CC(F)(F)F 587091319 DKVZOJLGRYGHSR-UHFFFAOYSA-N 330.201 2.431 5 1 EEBF CS(=O)(=O)/C=C\c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586923860 YUHFONUUZAGPOF-IHWYPQMZSA-N 346.162 2.249 5 1 EEBF COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1OC 587799400 ZBHWMVWGIMDKHK-UHFFFAOYSA-N 328.284 2.363 5 1 EEBF COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1OC 14639458 AJRHMDUHBMQVJL-UHFFFAOYSA-N 331.324 2.421 5 1 EEBF biogenic CC1=C(C(=O)NC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 40565431 XRCPBGDHHWPJRJ-HNNXBMFYSA-N 344.371 2.282 5 1 EEBF O=C(NS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccs1 1857772391 XVIIPDBUJRJDCB-VQHVLOKHSA-N 338.366 2.387 5 1 EEBF COc1n[nH]c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1[N+](=O)[O-] 587280102 IZVWNWQXRSQADI-UHFFFAOYSA-N 332.228 2.212 5 1 EEBF Cc1c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cccc1[N+](=O)[O-] 587261747 HPGBPSVXTFRFLX-UHFFFAOYSA-N 332.341 2.094 5 1 EEBF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 96913470 IAKLAFDRFJITAY-HNNXBMFYSA-N 331.284 2.436 5 1 EEBF O=[N+]([O-])c1ccc([C@]2(O)C[n+]3cccnc3N2Cc2ccccc2)cc1 72112504 ZBJITOSRGQYUAH-LJQANCHMSA-N 349.370 2.143 5 1 EEBF COc1cc(OC)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587261562 CHIYFDMYKZVYLS-USWWRNFRSA-N 347.371 2.241 5 1 EEBF CNC(=N)N(C)CCNC(=O)c1cccc2cc3ccccc3nc12 40421248 DTTJDLSJYMSZES-UHFFFAOYSA-N 335.411 2.204 5 1 EEBF NC(=O)c1cc(N2CCc3ccccc3C2)c([N+](=O)[O-])cc1[N+](=O)[O-] 73200344 DBRHDUWRUKPKBU-UHFFFAOYSA-N 342.311 2.165 5 1 EEBF Cn1c(=O)nc2n(-c3cccc(Cl)c3)c3ccccc3nc-2c1=O 1619715 YGSAGYVQVARNMT-UHFFFAOYSA-N 338.754 2.238 5 1 EEBF C[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)n1cc([N+](=O)[O-])cn1 587277308 SMYFPQMGPDJFDV-MRVPVSSYSA-N 326.316 2.162 5 1 EEBF O=[N+]([O-])c1c(Br)ccc2nc(CC3OCCO3)[nH]c12 586911211 WNTKITQQGXWGLT-UHFFFAOYSA-N 328.122 2.149 5 1 EEBF O=c1[nH]c2cc(-n3cnc(-c4ccccc4)c3)c([N+](=O)[O-])cc2nc1O 13734394 ODNMUINKJSMHBQ-UHFFFAOYSA-N 349.306 2.390 5 1 EEBF CCCCCCNC(=O)c1c(O)n(O)c(=O)c2cc([N+](=O)[O-])ccc12 169349206 PUEIRXVBUZGXFU-UHFFFAOYSA-N 349.343 2.163 5 1 EEBF CCOC(=O)[C@](O)(c1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F 205808711 DUTCJUZZIBUNCO-GFCCVEGCSA-N 332.234 2.389 5 1 EEBF Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C 35075790 OWEWHWNGBGRYQI-UHFFFAOYSA-N 329.765 2.264 5 1 EEBF CCOC(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587267878 HQRINQZHGKOGIT-UHFFFAOYSA-N 327.300 2.292 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587261443 BPGLUIBOIHFAAB-UTLUCORTSA-N 332.316 2.132 5 1 EEBF CS(=O)(=O)c1c(N)c2nc(Cl)cn2c2nc3ccccc3nc12 1630870 KUZVOCBEJPWYCB-UHFFFAOYSA-N 347.787 2.070 5 1 EEBF COCCOc1ccc(-c2nc3c(N)ccnc3[nH]2)cc1[N+](=O)[O-] 587265170 LJWHXJWSZDNEGO-UHFFFAOYSA-N 329.316 2.141 5 1 EEBF CCNC(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587231201 UESBXDKVAWBXQT-UHFFFAOYSA-N 341.165 2.302 5 1 EEBF COc1cccc2c3c(cnc12)CCN[C@@H]3c1nc[nH]c1[N+](=O)[O-] 963059708 TXNVYQPWTXBHSO-AWEZNQCLSA-N 325.328 2.110 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261441 BPGLUIBOIHFAAB-KXUCPTDWSA-N 332.316 2.132 5 1 EEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(N)=O)cc3[nH]2)c1 587262075 MKBWHEGHMIZNDO-UHFFFAOYSA-N 340.339 2.500 5 1 EEBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(O)ncnc3[nH]2)c1 587269795 QHBIELUHLGTWBT-UHFFFAOYSA-N 326.316 2.234 5 1 EEBF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 96913471 IAKLAFDRFJITAY-OAHLLOKOSA-N 331.284 2.436 5 1 EEBF NC(=O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158791 JDTNHPBHOCAGBF-UHFFFAOYSA-N 330.275 2.288 5 1 EEBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587264759 SNZZHWRFALYOPE-USWWRNFRSA-N 345.355 2.010 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587267055 FCOOUYPQLBZMDK-SSDOTTSWSA-N 333.279 2.423 5 1 EEBF O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1 1629410 BEMBFLDWGZLMRT-UHFFFAOYSA-N 334.339 2.192 5 1 EEBF O=C(Nc1ccccc1)c1c(O)n(O)c(=O)c2cc([N+](=O)[O-])ccc12 169350430 YEMSFVVYSAHUHY-UHFFFAOYSA-N 341.279 2.105 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 587266918 CMJSDSCMCCOTAG-SECBINFHSA-N 329.316 2.357 5 1 EEBF Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1[N+](=O)[O-] 138107613 QFCQSDCKTUVWBP-UHFFFAOYSA-N 339.311 2.030 5 1 EEBF CN(Cc1ccccc1)[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377839589 KBQSIQIWDCONSG-UHFFFAOYSA-N 348.295 2.127 5 1 EEBF COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13136330 AQJMIPJCUWITQP-WAYYCVMKSA-N 332.312 2.065 5 1 EEBF CC1(C)C[C@](O)([C@@H]2CCC[S@]2=O)c2cc([N+](=O)[O-])ccc2O1 27639077 NSSSVRCZXMQZMF-IEROGBPDSA-N 325.386 2.255 5 1 EEBF Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1 40379276 VDEXMQKDCJCISX-UHFFFAOYSA-N 337.299 2.020 5 1 EEBF C[C@H](NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(N)=O 96900558 FONBANIFSQMAOE-LBPRGKRZSA-N 329.356 2.137 5 1 EEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(N)cc1n2C 95541804 QBDNDJARULDSCH-UHFFFAOYSA-N 330.340 2.005 5 1 EEBF CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587234899 JTDJHRSNLFPPPH-RQJHMYQMSA-N 339.149 2.083 5 1 EEBF Cc1nc2sccc2c(=O)n1NC(=O)Nc1cccc([N+](=O)[O-])c1 1857641781 HEFJQFLAFWSZCA-UHFFFAOYSA-N 345.340 2.450 5 1 EEBF COC(=O)c1cccc2nc3c(C(=O)COC(C)=O)cccc3nc12 103223570 AHOGOFMUGWWWSX-UHFFFAOYSA-N 338.319 2.315 5 1 EEBF CC(C)[C@@H](CO)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82082162 QJGOIYKHHVHKRO-LLVKDONJSA-N 335.385 2.465 5 1 EEBF O=C(Cc1ccccc1)N[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1 101101146 JGOWOVPGYCBBQT-RZDIXWSQSA-N 342.351 2.368 5 1 EEBF Nc1ccc2c3c1sc1ccc(O)cc1c3nn2CCNCCO 29326499 IVRXEEFUQWLSID-UHFFFAOYSA-N 342.424 2.274 5 1 EEBF CCN(CC)CCN1CC(C(=O)OC)=Cc2cc([N+](=O)[O-])ccc21 1772608038 ATORCCJPQJFNRI-UHFFFAOYSA-N 333.388 2.313 5 1 EEBF CC1(C)c2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O[C@H]1CO 140038952 WUWFQFXQCQBPCA-LBPRGKRZSA-N 328.320 2.388 5 1 EEBF O=C(O)c1cccnc1SCc1nc2cc([N+](=O)[O-])cnc2[nH]1 586969309 VVNOYFYSDBXDQC-UHFFFAOYSA-N 331.313 2.252 5 1 EEBF Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c(C)c1 1619713 CFNSKGMWEDNPHT-UHFFFAOYSA-N 332.363 2.201 5 1 EEBF Cn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCOCC2)cn1 587647030 CYSLFLRSQGEATD-UHFFFAOYSA-N 327.344 2.313 5 1 EEBF CN(C)CCCc1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1 1857773956 UFHZMIKXSGTKFX-UHFFFAOYSA-N 341.367 2.116 5 1 EEBF O=C1O[C@@H](CO)CN1c1ccc(-c2ccc([N+](=O)[O-])c(O)c2)c(F)c1 1857644352 LNZXAPKGBZSQAR-LLVKDONJSA-N 348.286 2.424 5 1 EEBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587160207 LZHFCZXFEPQPSS-UHFFFAOYSA-N 325.263 2.253 5 1 EEBF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587234897 JTDJHRSNLFPPPH-RNFRBKRXSA-N 339.149 2.083 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587270817 QPGAHJMEPUZGGG-JTQLQIEISA-N 338.327 2.296 5 1 EEBF OC[C@@H](O)[C@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34 26400205 KGLYMCAQFUDSLX-RBUKOAKNSA-N 335.403 2.388 5 1 EEBF CC(C)[C@H](CO)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82082163 QJGOIYKHHVHKRO-NSHDSACASA-N 335.385 2.465 5 1 EEBF Cc1cc2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2cc1[N+](=O)[O-] 587260720 ZSNMBQSPJGLALC-LBPRGKRZSA-N 339.355 2.121 5 1 EEBF CN(C)C(=O)c1ccc2oc3ccc(C(=O)N(C)C)cc3c(=O)c2c1 169315477 LLMSBXVEGIUJDH-UHFFFAOYSA-N 338.363 2.350 5 1 EEBF CC(=O)Nc1c(C)cc2c(nc3n2CC[C@@H]3OC(C)=O)c1[N+](=O)[O-] 5552835 QWSDMCYOYUSIHQ-NSHDSACASA-N 332.316 2.219 5 1 EEBF CS(=O)(=O)Nc1ccccc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 586948098 CECFUDCSYQMWAE-UHFFFAOYSA-N 346.368 2.433 5 1 EEBF COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]2CC[C@@H]1N2C 169316315 KHZYUUJRRGZBGU-AETLKFDBSA-N 349.343 2.242 5 1 EEBF COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=NNC(=O)C2 28258191 YWIOIQJEZPPBAK-UHFFFAOYSA-N 341.323 2.037 5 1 EEBF CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])ccc1OC(C)=O 3193412 FGBUGRXYIBPBQO-CQSZACIVSA-N 349.343 2.215 5 3 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587274671 RSYCBRGRDHWFIE-VIFPVBQESA-N 340.343 2.356 5 1 EEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(CO)cc4[nH]3)nn2)c1 587269672 LWQSEJJSHCEFIF-UHFFFAOYSA-N 336.311 2.211 5 1 EEBF COC(=O)c1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587263169 KJKJOQAWIYQXGI-DLOVCJGASA-N 345.355 2.010 5 1 EEBF COc1ccc(S(=O)(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586920869 SPAMPQKHDLSKQI-UHFFFAOYSA-N 347.352 2.454 5 1 EEBF O=c1[nH]c(-c2ccc(OC(F)(F)F)cc2)cn2cc([N+](=O)[O-])nc12 1857613915 PMTSAJGJXRWUHF-UHFFFAOYSA-N 340.217 2.496 5 1 EEBF CC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261639 CYHITWFYJTXYKV-JIMOISOXSA-N 329.356 2.426 5 1 EEBF COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4962505 JNHXLWWYDPFNKR-VQSQSKOLSA-N 332.312 2.065 5 1 EEBF CCOC(=O)c1cccn1S(=O)(=O)c1cc(C)ccc1[N+](=O)[O-] 6403771 JARIZJJOVRIIQG-UHFFFAOYSA-N 338.341 2.118 5 1 EEBF CCOC(=O)[C@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1cccc([N+](=O)[O-])c1 36278506 XRYFAZQSOTYLGY-UONOGXRCSA-N 344.323 2.143 5 1 EEBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N1Cc3ccccc3CCN21 6006865 LNKWMYMEDLAPTB-UHFFFAOYSA-N 331.353 2.077 5 1 EEBF CN(C)CCN1C(=O)c2cc3cccnc3c3ccc(N)c(c23)C1=O 26833404 GGRHHMGPEMZIPA-UHFFFAOYSA-N 334.379 2.128 5 1 EEBF C[C@@H](c1nc2c(Br)ccnc2[nH]1)n1cc([N+](=O)[O-])cn1 587276532 LORKFAIWQXGYQI-LURJTMIESA-N 337.137 2.434 5 1 EEBF Cc1nc2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2cc1Br 587275146 WPGAYNYZOBBMCD-UHFFFAOYSA-N 337.137 2.338 5 1 EEBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c1 586935643 JKAXLXQCJOMQJZ-UHFFFAOYSA-N 349.372 2.153 5 1 EEBF CN1CCN(c2nccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc23)CC1 1857644315 YKVVDBJWHAWCQA-UHFFFAOYSA-N 338.371 2.285 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 587265600 RGERMKQBTDXEIS-ZETCQYMHSA-N 329.276 2.342 5 1 EEBF O=C(O)c1c(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)cc(O)c2c1=O 13820378 ARZRZUXTGDKZMK-UHFFFAOYSA-N 343.247 2.478 5 1 EEBF CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2cc([N+](=O)[O-])ccc12 587647710 NNKFMFHZLUEFNL-UHFFFAOYSA-N 342.311 2.310 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587267538 MLEPTNDXTMJDTA-OQPBUACISA-N 329.320 2.309 5 1 EEBF Nc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1N 587270020 VCQSYZGOHCGXGU-UHFFFAOYSA-N 327.300 2.027 5 1 EEBF CCS(=O)(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587277661 ZRCFOVQNIPSMQG-SECBINFHSA-N 349.372 2.071 5 1 EEBF O=C(O)c1cc(F)cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587273122 IBKAFNIXBFSUHH-UHFFFAOYSA-N 333.279 2.138 5 1 EEBF NS(=O)(=O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280383 VGVJZLIXTOTZGO-UHFFFAOYSA-N 346.320 2.219 5 1 EEBF CCOC(=O)[C@@](O)(c1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F 205808694 DUTCJUZZIBUNCO-LBPRGKRZSA-N 332.234 2.389 5 1 EEBF O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCN1CCCC1 6094281 HGPWMFQARAISAD-UHFFFAOYSA-N 339.351 2.440 5 1 EEBF COc1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261241 ZUDOEJOHMQZGLS-UHFFFAOYSA-N 342.311 2.254 5 1 EEBF COc1ccc(S(=O)(=O)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586920744 QJTXXJBSXJFPJV-UHFFFAOYSA-N 347.352 2.454 5 1 EEBF COC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169321975 APIUBENSUSDCEP-LLVKDONJSA-N 344.319 2.031 5 1 EEBF O=C(NCCCn1cnc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 84688477 WIEXDLHSVHNXGQ-UHFFFAOYSA-N 343.265 2.025 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cncc(Cl)c2[nH]1 587265830 RMUZKKFPNIITPL-VIFPVBQESA-N 333.735 2.468 5 1 EEBF O=c1c2cc3cc4c(cc3nc2ncn1Cc1cccnc1)OCO4 203467104 LITAXSFBWYLCKL-UHFFFAOYSA-N 332.319 2.117 5 3 EEBF O=[N+]([O-])c1ccn(CCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)n1 587272932 DYYDUBKAUCPPDY-UHFFFAOYSA-N 334.267 2.348 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(C(=O)O)c2[nH]1 587270550 MYWMBPRDAQXUQZ-LBPRGKRZSA-N 326.312 2.412 5 1 EEBF O=[N+]([O-])c1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1[N+](=O)[O-] 586893233 UTSPIUJHQNWRKM-ZDUSSCGKSA-N 330.256 2.167 5 1 EEBF COCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 103275193 IMTWSXOMJIFHPX-UHFFFAOYSA-N 339.731 2.242 5 1 EEBF CC1(C)CN1P(=O)(OCCn1ccnc1[N+](=O)[O-])N1CC1(C)C 29205253 RCRCUBUCRUHRIX-UHFFFAOYSA-N 343.324 2.104 5 1 EEBF O=[N+]([O-])c1cnc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 587148906 MMQYADLDSLFPPR-UHFFFAOYSA-N 333.235 2.492 5 1 EEBF CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 100807321 BUJFBBAEBCZPOD-KBPBESRZSA-N 330.388 2.292 5 1 EEBF O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(N3CCCC3)c2c1 13439747 OQLFJTCOYYHIKI-UHFFFAOYSA-N 327.388 2.153 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] 135998504 OSUCQKNXQBPLDG-DZGCQCFKSA-N 346.339 2.389 5 1 EEBF O=[N+]([O-])c1ccc(SC(=S)N2CCOCC2)c([N+](=O)[O-])c1 95580680 QGLLEFNIRFZWDC-UHFFFAOYSA-N 329.359 2.212 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587267057 FCOOUYPQLBZMDK-ZETCQYMHSA-N 333.279 2.423 5 1 EEBF CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13145039 KLUFAIXBSGETEP-YYIAUSFCSA-N 329.356 2.485 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)NN/C=C2/C=Nc3ccccc32)cc1 38179725 JVMPHZLUDZJBJK-KHPPLWFESA-N 344.352 2.135 5 1 EEBF O=C(O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085212 LUWAVSSHDBOWTF-GFCCVEGCSA-N 347.352 2.408 5 1 EEBF O=[N+]([O-])c1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1[N+](=O)[O-] 586893224 UTSPIUJHQNWRKM-CYBMUJFWSA-N 330.256 2.167 5 1 EEBF O=[N+]([O-])c1ccc2c3c1nc1ccccc1c3[nH]n2CCNCCO 96903196 OMSFCUVWRYYEJI-UHFFFAOYSA-N 339.355 2.161 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(C(=O)O)cc2[nH]1 587265083 SJRRQKVTOWIADI-JTQLQIEISA-N 342.311 2.117 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] 169724459 OSUCQKNXQBPLDG-HIFRSBDPSA-N 346.339 2.389 5 1 EEBF COCCNc1ccc(-c2nc3ccnc(O)c3[nH]2)cc1[N+](=O)[O-] 587264736 IVXVPPKLLBLOMQ-UHFFFAOYSA-N 329.316 2.297 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Cl)ccnc2[nH]1 587265773 QZABAYNOUVSXSR-VIFPVBQESA-N 333.735 2.468 5 1 EEBF CCCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@@H]1CCOC1=O 587646806 KLTVSOHKWKPAFY-GFCCVEGCSA-N 331.328 2.074 5 1 EEBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccccc3)n2)cc([N+](=O)[O-])c1 1857743729 AXUHKBGADYDPCO-UHFFFAOYSA-N 326.272 2.205 5 1 EEBF CC1(C)C[C@](O)([C@@H]2CCC[S@@]2=O)c2cc([N+](=O)[O-])ccc2O1 27639065 NSSSVRCZXMQZMF-ZIACGZRISA-N 325.386 2.255 5 1 EEBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCOCC4)nc3)C2)o1 95559162 ANRBDYBMLVFLGV-CQSZACIVSA-N 344.327 2.285 5 1 EEBF Nc1c(O)cccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](N)C(=O)O 587647665 LSDIZDADHZIOCS-AWEZNQCLSA-N 342.311 2.115 5 1 EEBF O=[N+]([O-])c1cc(-c2nc3ccc(CO)cc3[nH]2)nn1CC(F)(F)F 587093067 SULOZSDPPOVLKH-UHFFFAOYSA-N 341.249 2.389 5 1 EEBF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587234893 JTDJHRSNLFPPPH-BQBZGAKWSA-N 339.149 2.083 5 1 EEBF O=c1c(Nc2ccccc2)c(Nc2c(O)cccc2[N+](=O)[O-])c1=O 101103810 DEQVCEOQNMGQBN-UHFFFAOYSA-N 325.280 2.384 5 1 EEBF O=c1c(Nc2ccccc2)c(Nc2cc([N+](=O)[O-])ccc2O)c1=O 137842502 RHCXHYFIOPFDIE-UHFFFAOYSA-N 325.280 2.384 5 1 EEBF COc1cc(OC)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587261563 CHIYFDMYKZVYLS-ZMLRMANQSA-N 347.371 2.241 5 1 EEBF CCOC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 103297101 ZGBCAURKAZIOGO-XFFZJAGNSA-N 336.325 2.194 5 1 EEBF CCC(=O)Nc1ccc(OC[C@H](O)[C@H](C)NC(C)C)c([N+](=O)[O-])c1 28768381 IXQGUDOQIHBYCA-FZMZJTMJSA-N 339.392 2.070 5 1 EEBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(O)c2[nH]1 587274338 JGPDESJOUFWFDF-UHFFFAOYSA-N 338.121 2.340 5 1 EEBF COc1cc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1[N+](=O)[O-] 587262001 LNSLROZMYRVBQM-UHFFFAOYSA-N 345.271 2.362 5 1 EEBF Nc1ncc(Cl)nc1CN=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 473155276 RCAQGAUPWMQZJX-UHFFFAOYSA-N 330.735 2.203 5 1 EEBF O=C(NC[C@@H](O)c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1F 72134874 REAPOLGJGGWPDO-CQSZACIVSA-N 344.302 2.074 5 3 EEBF COc1cc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2cc1OC 299838023 QAASYVQONBVCRF-UHFFFAOYSA-N 341.323 2.370 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 587269868 RZXWWNHMPUPPOX-UHFFFAOYSA-N 343.255 2.166 5 1 EEBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cn(C)nc1C 587646955 BBWQDIVWKMYSPQ-UHFFFAOYSA-N 342.311 2.136 5 1 EEBF COC(=O)c1ccnc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 587148994 OAONNFLICIDYLM-UHFFFAOYSA-N 346.274 2.371 5 1 EEBF COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)c([N+](=O)[O-])c1 195347568 AGGPMPNSBTYTCT-UOVKNHIHSA-N 340.335 2.305 5 1 EEBF CN1CCN(c2ccc3c4c(C(=O)O)c(=O)nc-4c4cccc2c43)CC1 45351520 YKYNHLVFTMLENS-UHFFFAOYSA-N 347.374 2.179 5 1 EEBF CCOC(=O)[C@]1(C)[C@H](C)NC(=O)N(C)[C@H]1c1ccccc1[N+](=O)[O-] 473153611 BSZGFCFZNCTKHJ-YNZJMPHRSA-N 335.360 2.249 5 1 EEBF O=C(CCn1cnc([N+](=O)[O-])n1)n1nc2cc1Oc1ccc(F)cc1-2 587874481 CDLGOTQWRVGOCG-UHFFFAOYSA-N 344.262 2.025 5 1 EEBF O=C(N[C@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)OC1)c1ccccc1 101099923 SNALIZIHAOIOAL-CZIWCDLHSA-N 328.324 2.439 5 1 EEBF COc1nccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269809 QYANIKPVLUYTQW-UHFFFAOYSA-N 328.284 2.266 5 1 EEBF O=[N+]([O-])c1cc(-c2nc3c(Cl)ncnc3[nH]2)nn1CC(F)(F)F 587093167 XGRZLOLKOBGKIV-UHFFFAOYSA-N 347.644 2.340 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCOc1ncnc2ccc([N+](=O)[O-])cc12 211390175 DZXNDIJDBUKRGJ-UHFFFAOYSA-N 344.287 2.030 5 1 EEBF CC(C)(O)CCc1c(O)cc(O)c2c(=O)c3c(O)ccc(O)c3oc12 14763065 YPHCCYBDRYGMTN-UHFFFAOYSA-N 346.335 2.472 5 1 EEBF biogenic COc1cc(OCc2nc3cc(N)c(N)cc3[nH]2)ccc1[N+](=O)[O-] 587262943 JLJPNEPCWOKIRZ-UHFFFAOYSA-N 329.316 2.223 5 1 EEBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c1sc(C1=NCCO1)[n+]2[O-] 653803624 JKNNNXINCWIXFB-UHFFFAOYSA-N 333.247 2.239 5 1 EEBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1F 587140250 VQEWFSJBTHARKH-UHFFFAOYSA-N 325.643 2.132 5 1 EEBF CNc1ccc2c(=O)c3c(O)c(OC)c(OC)c(OC)c3n(C)c2c1 100843102 HAFHHJWVOAJIEM-UHFFFAOYSA-N 344.367 2.465 5 1 EEBF CCCc1c(O)ccc2c1O[C@](C)(Cn1cnc([N+](=O)[O-])n1)CC2=O 587472074 XIXUMPYNMCVATK-INIZCTEOSA-N 346.343 2.269 5 1 EEBF O=C(c1cccc([N+](=O)[O-])c1O)n1ncc2ccc(Cl)cc2c1=O 587653639 ZSZNAVMLLQHEBA-UHFFFAOYSA-N 345.698 2.352 5 1 EEBF COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 101621985 JNHXLWWYDPFNKR-ZHMYYEFOSA-N 332.312 2.065 5 1 EEBF COc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 101207896 WQXCPZUBGZCAJA-VXGBXAGGSA-N 334.376 2.350 5 1 EEBF CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)[C@@H](O)[C@H]1O 13382565 FBANQZYYNUCDNL-RHSMWYFYSA-N 328.320 2.217 5 1 EEBF biogenic O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587970858 NORYKTZTCCJHEK-QDMKHBRRSA-N 348.318 2.158 5 1 EEBF COc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 587092646 WFNBCWANYSMYIM-UHFFFAOYSA-N 342.237 2.301 5 1 EEBF COCCOc1cc2ncc3c(N)nc(N(C)C)cc3c2cc1OC 45256063 CHEJHTIJWPOIFZ-UHFFFAOYSA-N 342.399 2.465 5 1 EEBF O=[N+]([O-])c1cc(Br)cc2nc(C3(O)CCOCC3)[nH]c12 586914190 WCABRYHGQISASJ-UHFFFAOYSA-N 342.149 2.232 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263143 KEHLOJVJSXADMW-BWZBUEFSSA-N 340.742 2.411 5 1 EEBF N=c1sc([N+](=O)[O-])c2n1CCCN2Cc1ccc(Cl)nc1 103292433 FIZXVHSJZNIDKD-UHFFFAOYSA-N 325.781 2.396 5 1 EEBF C[C@@H](CN)Oc1ccc2oc3ccc(O[C@@H](C)CN)cc3c(=O)c2c1 95597936 QLFRNINFCGCFCZ-RYUDHWBXSA-N 342.395 2.398 5 1 EEBF Cc1ccccc1NCc1cn(CCn2c([N+](=O)[O-])cnc2C)nn1 653718363 QZQDFDJFKWYHEA-UHFFFAOYSA-N 341.375 2.312 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261442 BPGLUIBOIHFAAB-OPRDCNLKSA-N 332.316 2.132 5 1 EEBF O=[N+]([O-])c1cccc(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587270385 NGPOXZORYAIHPC-UHFFFAOYSA-N 335.327 2.232 5 1 EEBF COc1ccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 1857642878 WUPPRSBIHNJCKE-UHFFFAOYSA-N 345.355 2.154 5 1 EEBF O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]2OCCCN12 36389443 ZIPVXVFIMLXIJT-CYBMUJFWSA-N 345.277 2.009 5 3 EEBF C[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@@H]1C2 169292352 TVEJJYBKWFNIQS-CIWUYKSXSA-N 330.448 2.336 5 1 EEBF in-man C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 100371412 TVEJJYBKWFNIQS-ZTTFOMCMSA-N 330.448 2.336 5 1 EEBF in-man Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 587266922 CMJSDSCMCCOTAG-VIFPVBQESA-N 329.316 2.357 5 1 EEBF O=c1nc2n(-c3cccc(F)c3)c3cccc(F)c3cc-2c(=O)[nH]1 28641605 QVDFSQUACWRFOS-UHFFFAOYSA-N 325.274 2.457 5 1 EEBF COC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2n1 587159505 PSUYJJJUWXYKRV-UHFFFAOYSA-N 346.274 2.371 5 1 EEBF O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 29127456 LHLVNOWGDADEKP-GEEKYZPCSA-N 338.319 2.415 5 1 EEBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccccc3F)n2)cc([N+](=O)[O-])c1 1772611883 ADNZYSPBNYVRTI-UHFFFAOYSA-N 344.262 2.344 5 1 EEBF O=[N+]([O-])c1ccc(Cn2cc(Cn3ccc4cncnc43)nn2)cc1 1857553574 PEJDQDAMPATCAQ-UHFFFAOYSA-N 335.327 2.028 5 1 EEBF NC(=O)c1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 73200348 JIIRRGZMKSSPBA-UHFFFAOYSA-N 342.311 2.165 5 1 EEBF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1cccc(C(F)(F)F)n1)C2 1772610224 LSRGUBINGREAAD-SSDOTTSWSA-N 330.222 2.045 5 1 EEBF C[N+](C)(C)CCCS(=O)(=O)Cc1ccc(Br)cc1 103249163 GKATYUWBNYIQEB-UHFFFAOYSA-N 335.287 2.460 5 1 EEBF O=C1CS(=O)(=O)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 36376347 VZCAKZZSNOMOJT-OAHLLOKOSA-N 332.337 2.055 5 1 EEBF COc1cc(OCc2nc3ccnc(OC)c3[nH]2)ccc1[N+](=O)[O-] 587263609 WQUZHKZQDJGSGA-UHFFFAOYSA-N 330.300 2.462 5 1 EEBF Cc1nn(-c2ccccn2)c(O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 73222288 OBORXOJFBAFTBP-UHFFFAOYSA-N 339.311 2.442 5 1 EEBF CCCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@H]1CCOC1=O 587646807 KLTVSOHKWKPAFY-LBPRGKRZSA-N 331.328 2.074 5 1 EEBF O=C(CCCCCCNc1ncnc2ccc([N+](=O)[O-])cc12)NO 206981423 QVMMXNRSGHGZQX-UHFFFAOYSA-N 333.348 2.406 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263305 LFDNWQXVXGYSPX-FBIMIBRVSA-N 327.344 2.100 5 1 EEBF COC(=O)c1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2c1 587274835 NNKHQAJFQBDYGR-UHFFFAOYSA-N 335.707 2.312 5 1 EEBF NCCNC(=O)c1cc([N+](=O)[O-])cc2ccc(-c3ccccc3)nc12 1857563130 JAKQLWXRJSJHHS-UHFFFAOYSA-N 336.351 2.499 5 1 EEBF CCOC(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587277446 WFFMQYHSCOMTFX-SECBINFHSA-N 329.316 2.454 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587267728 PLZWVNJZDCRMER-JTQLQIEISA-N 342.359 2.287 5 1 EEBF COc1cc(OCc2nc3ccc(C(=N)N)cc3[nH]2)ccc1[N+](=O)[O-] 587263721 ZOHWTEGMGJGECN-UHFFFAOYSA-N 341.327 2.343 5 1 EEBF C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 587652786 KAKSQZWXOVTMHQ-QMMMGPOBSA-N 347.718 2.056 5 1 EEBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587264760 SNZZHWRFALYOPE-ZMLRMANQSA-N 345.355 2.010 5 1 EEBF Cc1ccnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 586921011 VDPYPIVHTJXDSR-UHFFFAOYSA-N 332.341 2.148 5 1 EEBF CC1(C)Oc2cc(O)c3c(=O)c4ccccc4[nH]c3c2C(=O)[C@@H]1O 153730227 CREPQPLYKBVVSR-KRWDZBQOSA-N 325.320 2.102 5 1 EEBF O=C(c1ccc(F)cc1)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 1857756436 FTEFJMRNJWCOHS-UHFFFAOYSA-N 333.319 2.285 5 1 EEBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccncc1 587649024 NYUFVWBGHHGHLZ-UHFFFAOYSA-N 325.280 2.489 5 1 EEBF CC(C)C[C@@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CCC1=O 12474538 DYGOPDPSOSRJDY-KRWDZBQOSA-N 349.431 2.036 5 3 EEBF COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c([N+](=O)[O-])c1 13154744 HFYNOSFWMNJZHB-PJCOKBIESA-N 340.335 2.161 5 1 EEBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1OC 14639474 PTMZPKCTDQAWHO-UHFFFAOYSA-N 331.324 2.129 5 1 EEBF biogenic C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCCO3 587274622 QXHVTIQMYNKFAH-SECBINFHSA-N 329.316 2.243 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587274628 QXZPBSGZQNEUTO-ZCFIWIBFSA-N 341.253 2.232 5 1 EEBF CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3cc([N+](=O)[O-])ccc23)cn1 587647855 RNGXDRPKPPODOW-UHFFFAOYSA-N 342.311 2.310 5 1 EEBF Cc1ccc(CNC(=O)[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)o1 13478439 MKZACRBXGLKRBT-HNNXBMFYSA-N 329.312 2.306 5 3 EEBF COc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587264902 PUQSDIQOCZQABX-NSHDSACASA-N 328.328 2.428 5 1 EEBF CCOC(=O)c1cn(C)nc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280432 WWHBRCYOKUBJLX-UHFFFAOYSA-N 343.295 2.482 5 1 EEBF CC(C)(SCC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586959465 OJFZDCPXMMIJPH-UHFFFAOYSA-N 340.317 2.432 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587267536 MLEPTNDXTMJDTA-AMIZOPFISA-N 329.320 2.309 5 1 EEBF CC1(C)C[C@](O)([C@H]2CCC[S@@]2=O)c2cc([N+](=O)[O-])ccc2O1 27639071 NSSSVRCZXMQZMF-DZKLMBRESA-N 325.386 2.255 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587267537 MLEPTNDXTMJDTA-ISVAXAHUSA-N 329.320 2.309 5 1 EEBF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2cc([N+](=O)[O-])ccc12 587648283 BEUCPJRMSUHQRL-UHFFFAOYSA-N 325.280 2.494 5 1 EEBF O=C(O)C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 1857634915 QGSAHXNJKPBCPG-AWEZNQCLSA-N 340.291 2.407 5 1 EEBF COC(=O)c1nn(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc12 96273861 DGCKICNEBFFWGE-UHFFFAOYSA-N 325.280 2.420 5 1 EEBF O=C(Cc1cc(C(=O)O)c(C(=O)O)cc1[N+](=O)[O-])c1ccccc1 653844267 ICCDBLSCWNJQCD-UHFFFAOYSA-N 329.264 2.417 5 1 EEBF CCOC(=O)[C@]1(C)[C@H](C)NC(=O)N(C)[C@@H]1c1ccccc1[N+](=O)[O-] 473153607 BSZGFCFZNCTKHJ-OWRWGESLSA-N 335.360 2.249 5 1 EEBF Cc1nc(NC(=O)c2cncc([N+](=O)[O-])c2)cnc1Br 1857628400 WNXNAHTVUFMAJS-UHFFFAOYSA-N 338.121 2.103 5 1 EEBF Cc1cc2c(cc1O)[C@H](c1cc(O)cc([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963506983 GTDHVPMKBCOPDI-HOCLYGCPSA-N 344.323 2.003 5 1 EEBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N1 962915107 ARQFIDFYWOXXLN-DZGCQCFKSA-N 344.298 2.257 5 1 EEBF C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1 169693356 GLOKSQMAWAKLDX-UHFFFAOYSA-N 327.388 2.255 5 1 EEBF CC1=C(C(=O)OC2CCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 36185146 SXZLUWVUWJYIES-AWEZNQCLSA-N 331.328 2.318 5 1 EEBF O=C(NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1ccccc1 1911574857 BAJGKZGOWFYPSB-UHFFFAOYSA-N 337.339 2.165 5 1 EEBF CCCCC(=O)CCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 85589801 DZALQUYFNHIYDL-HNNXBMFYSA-O 330.445 2.399 5 1 EEBF endogenous,in-man C[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276120 JJJZSGXUPHIKTL-NSHDSACASA-N 344.375 2.217 5 1 EEBF O=[N+]([O-])c1cc(/C=C\c2nc3c(O)nc(O)nc3[nH]2)ccc1Cl 587048379 USNYYYHEOPUASZ-RQOWECAXSA-N 333.691 2.496 5 1 EEBF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587234896 JTDJHRSNLFPPPH-NKWVEPMBSA-N 339.149 2.083 5 1 EEBF CC(C)(CO)[C@@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586901909 JCSLUNVKTPYDDH-JTQLQIEISA-N 344.165 2.286 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)ncc2[nH]1 587274959 XURWFXTUCWSCLE-UHFFFAOYSA-N 337.137 2.182 5 1 EEBF CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCCC2=O)[C@@H]1O 15200 QPFLGGHDOFTBOK-YPMHNXCESA-N 326.374 2.242 5 1 EEBF O=C(O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937004 MGHFTOKPWRVEDJ-UHFFFAOYSA-N 343.089 2.257 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cnc2[nH]1 587273273 GLAWAFVANSBWKO-UHFFFAOYSA-N 337.137 2.182 5 1 EEBF COc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920201 NXDTUVOPHFSFJM-UHFFFAOYSA-N 347.352 2.454 5 1 EEBF NC(=O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263856 GVGPQXZPEQAESG-UHFFFAOYSA-N 341.283 2.069 5 1 EEBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccnc1 587648865 NGBGFBDUNLXDKN-UHFFFAOYSA-N 325.280 2.489 5 1 EEBF COc1nccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587270605 WNSSBBRSTKGALE-UHFFFAOYSA-N 337.299 2.122 5 1 EEBF Nc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(O)n1 587253387 KIGUXNCDJUSTLQ-UHFFFAOYSA-N 329.323 2.404 5 1 EEBF OC[C@H](NCc1ccc2ccc3cccc4ccc1c2c34)[C@@H](O)CO 26400209 KGLYMCAQFUDSLX-OALUTQOASA-N 335.403 2.388 5 1 EEBF NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCc2ccccc2C1 73200342 SYBUXMVEWMDGPT-UHFFFAOYSA-N 342.311 2.165 5 1 EEBF N=C(N)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587149438 SJUSBOAYLOMBLW-UHFFFAOYSA-N 329.291 2.473 5 1 EEBF O=C(O)CCc1cccc2oc3cc(=O)c4c(c-3nc12)CCC(=O)N4 2356787442 BLCKKQGSGOQSDE-UHFFFAOYSA-N 338.319 2.195 5 1 EEBF Nc1c(O)cccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](N)C(=O)O 587647796 QCVYHCQARRZPDQ-AWEZNQCLSA-N 342.311 2.115 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(C(=O)O)c2[nH]1 587265629 WHDYPOGDXUMKKT-JTQLQIEISA-N 342.311 2.117 5 1 EEBF Cn1ccc(=O)c(C(=O)Nc2nsc3ccc([N+](=O)[O-])cc23)c1 653745109 CPKUAABJFWRBSN-UHFFFAOYSA-N 330.325 2.156 5 1 EEBF CC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 13154185 WLADKGWPKZATAW-YYIAUSFCSA-N 329.356 2.485 5 1 EEBF Cc1ccc(S(=O)(=O)N2CCc3cc(O)c([N+](=O)[O-])cc32)cc1 1860213 XLFMHKVIDVPBAY-UHFFFAOYSA-N 334.353 2.360 5 1 EEBF CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 96913475 COHWMTZRGAFORC-CQSZACIVSA-N 346.255 2.335 5 1 EEBF C=C(NC(C)=O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587202970 JJIIWYFAYAPUQF-UHFFFAOYSA-N 325.122 2.340 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1F 587263027 JJAFCQRXHBSNOX-KXUCPTDWSA-N 335.335 2.371 5 1 EEBF NC(=O)C1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 36380818 RRUSJHDSUNWAGK-UHFFFAOYSA-N 332.385 2.420 5 1 EEBF COc1cc2c(c3[nH]c4ccccc4c(=O)c13)[C@H](O)[C@H](O)C(C)(C)O2 13459141 SZCZIVYCHPRUFS-ROUUACIJSA-N 341.363 2.255 5 1 EEBF biogenic COc1cc2c(cc1OC)[C@@H]1[C@@H](C=C[C@H]3CC[N+](C)([O-])[C@@H]13)OC2=O 238785394 OFMFGOQVKICLKO-VSMDSSBISA-N 331.368 2.229 5 1 EEBF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1OC 621475176 OCLPHUWTLQJCSL-KLDSGFLGSA-N 337.357 2.410 5 1 EEBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1n[nH]cc1[N+](=O)[O-] 587872280 STEOMQXMPNGEIR-UHFFFAOYSA-N 345.290 2.408 5 1 EEBF CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 100807318 BUJFBBAEBCZPOD-ZIAGYGMSSA-N 330.388 2.292 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)O)[C@H]1c1cccc([N+](=O)[O-])c1 136202983 HZKLXXZXIMSELS-TZMCWYRMSA-N 332.312 2.301 5 1 EEBF COC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]2CC[C@H]1N2C 40440156 KHZYUUJRRGZBGU-GCVYGYKWSA-N 349.343 2.242 5 1 EEBF CCOC(=O)CNc1nc(NCCc2ccccc2)ncc1[N+](=O)[O-] 653869225 GFOXHCSWKCDNGL-UHFFFAOYSA-N 345.359 2.014 5 1 EEBF C[C@H](c1nc2cc(Br)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 587275643 FJRCTRYGKFDNAX-ZCFIWIBFSA-N 337.137 2.434 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4cn[nH]c4cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263309 LFDNWQXVXGYSPX-MIMYLULJSA-N 327.344 2.100 5 1 EEBF COc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2n1 587268826 BLDFNSZJKWZQTJ-UHFFFAOYSA-N 337.299 2.122 5 1 EEBF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587052333 ONWSNGWAAOLGPO-SNVBAGLBSA-N 333.735 2.468 5 1 EEBF O=C(Nc1nc2ccccc2n1CCO)c1cccc([N+](=O)[O-])c1 36184959 NIEAGFFWRPLQKJ-UHFFFAOYSA-N 326.312 2.189 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587274503 PNZZZFAKOGKKEU-UHFFFAOYSA-N 326.238 2.438 5 1 EEBF COc1cc2c(cc1[N+](=O)[O-])-c1nc3nc(O)nc(O)c3cc1CC2 587556226 WFZMUFUBRAFQAY-UHFFFAOYSA-N 340.295 2.118 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccncc2)o1 95605617 GFMNILURNLRZHE-UHFFFAOYSA-N 332.345 2.337 5 1 EEBF CC(=O)[C@@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 64246764 OYCSKQKYVYWFLJ-CVEARBPZSA-N 344.367 2.036 5 1 EEBF COC(=O)C1CCN(C(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)CC1 587649147 RKSYBDVSCPVJGG-UHFFFAOYSA-N 345.355 2.410 5 1 EEBF CCOC(=O)Cc1ccc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c1 587273999 MEEZWNVKLDRUJG-UHFFFAOYSA-N 343.343 2.130 5 1 EEBF Cc1nc(NC[C@@H]2CCCCO2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821471 LWYCLEOURKNTGE-LBPRGKRZSA-N 332.364 2.168 5 1 EEBF CCCc1nnc2c(O)nc3cc(-n4ccnc4)c([N+](=O)[O-])cc3n12 13763214 SQZREUNWQBLUCQ-UHFFFAOYSA-N 339.315 2.030 5 1 EEBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N1 962915115 ARQFIDFYWOXXLN-ZFWWWQNUSA-N 344.298 2.257 5 1 EEBF C[C@]1(COc2ccc(C(F)(F)F)nc2)Cn2cc([N+](=O)[O-])nc2O1 653724574 AYKXKCUKZDPGIS-GFCCVEGCSA-N 344.249 2.435 5 1 EEBF Nc1cc(C(=O)O)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587251197 BNGFJFLUZHWCAX-UHFFFAOYSA-N 343.255 2.327 5 1 EEBF Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 138143213 XJARANAVAALNDY-UHFFFAOYSA-N 339.311 2.030 5 1 EEBF CCOCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719439 NKCXYRJVIOMXTG-ZIAGYGMSSA-N 349.343 2.016 5 1 EEBF COc1cc2c3c(c1)O[C@@](C)(Cn1nc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O 587431647 PXNJTSZIWWCFNU-SJCJKPOMSA-N 343.339 2.315 5 1 EEBF Cn1c(=O)nc2n(-c3ccccc3Cl)c3ccccc3nc-2c1=O 29487632 FXAABCAVOHQXJE-UHFFFAOYSA-N 338.754 2.238 5 1 EEBF O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(Br)cc2c1 13859354 MPHPQAKQQDLIGK-UHFFFAOYSA-N 337.177 2.315 5 1 EEBF in-vivo O=C(/N=c1\[nH]c2ccc([N+](=O)[O-])cc2[nH]1)c1cccc([N+](=O)[O-])c1 40566763 CATRVRFKTRZKEE-UHFFFAOYSA-N 327.256 2.054 5 1 EEBF Cc1cc(N(C)Cc2nc3c(O)ncnc3[nH]2)c([N+](=O)[O-])cc1F 587137215 UGONUBNQYOJZRO-UHFFFAOYSA-N 332.295 2.051 5 1 EEBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1OC 587265333 WOYMXFLZSWHTDY-GARJFASQSA-N 347.371 2.241 5 1 EEBF Nc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](N)C(=O)O 587647967 WCHWBZPVODJERF-AWEZNQCLSA-N 326.312 2.410 5 1 EEBF Cc1cc(-c2ccc([N+](=O)[O-])cc2)nnc1NCCN1CCOCC1 27625285 MNJPGYJWXJESNZ-UHFFFAOYSA-N 343.387 2.104 5 1 EEBF Nc1ccc([C@@H](O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 98083315 RGHAZUGJFZHQTG-VSRBDQBUSA-N 327.340 2.040 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267990 VEHGOBCYBDYGSC-VIFPVBQESA-N 340.343 2.470 5 1 EEBF COc1c(OC)c(OC)c2c(c1O)c(=O)c1cc(N)ccc1n2C 26664043 PIKBTSAGBNYQLT-UHFFFAOYSA-N 330.340 2.005 5 1 EEBF CCCN(CCC)c1c([N+](=O)[O-])cc(C(=N)NO)cc1[N+](=O)[O-] 13648909 UMRRODDASDPPGK-UHFFFAOYSA-N 325.325 2.434 5 1 EEBF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2cccc([N+](=O)[O-])c12 587648291 BISAVESZHZJCNN-UHFFFAOYSA-N 325.280 2.494 5 1 EEBF COc1ccc2c(=O)c3cc(C(=O)N[C@H](C)CO)ccc3oc2c1 103228860 UVHSORWWVKMGSK-SNVBAGLBSA-N 327.336 2.065 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 587264180 CSXUNEYKSXJLOF-ZETCQYMHSA-N 343.303 2.530 5 1 EEBF O=[N+]([O-])c1cnc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 587171638 QXAJKYZBOCJGPB-UHFFFAOYSA-N 330.275 2.463 5 1 EEBF COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2cc([N+](=O)[O-])ccc12 587649374 SZQZCBMFUKLBBI-UHFFFAOYSA-N 329.268 2.395 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)ncc2[nH]1 587266061 UYEGLRFALROWBI-QMMMGPOBSA-N 333.735 2.468 5 1 EEBF Cn1c2ccccc2c(=O)c2ccc3c(c21)[C@@H](O)[C@@H](O)C(C)(C)O3 27524635 XWRPQXPIFGFDFJ-QZTJIDSGSA-N 325.364 2.257 5 1 EEBF COC(=O)c1cc2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1OC 587277496 XCPZNAYJSQRWMK-MRVPVSSYSA-N 345.315 2.072 5 1 EEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccnc2[nH]1 587118676 UEGAAYRQVWODDL-UHFFFAOYSA-N 326.238 2.438 5 1 EEBF O=[N+]([O-])c1c(NCCO)cc(Nc2cccc(F)c2)c2nonc12 4564858 PKMIFFBDVHVLMT-UHFFFAOYSA-N 333.279 2.418 5 1 EEBF CN(C)C(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274650 XSEBBICMHQNSLV-UHFFFAOYSA-N 342.359 2.002 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587267729 PLZWVNJZDCRMER-SNVBAGLBSA-N 342.359 2.287 5 1 EEBF Cc1nc(N[C@H]2CCCO[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821489 MUVKLQALFDQZKH-JQWIXIFHSA-N 332.364 2.167 5 1 EEBF CCN(CC)CC(=O)NCc1cc(-c2ccc([N+](=O)[O-])cc2)no1 95556511 PXAGHVAPEWZNJJ-UHFFFAOYSA-N 332.360 2.208 5 1 EEBF COc1ccc(C[S@](=O)c2ccc([N+](=O)[O-])c3nonc23)cc1 1857597846 FHEDSLKCNPZAEL-QHCPKHFHSA-N 333.325 2.447 5 1 EEBF COc1ccc2c(=O)c3cc(C(=O)NC[C@H](C)O)ccc3oc2c1 103228866 BOCQUUFGFXSIFV-JTQLQIEISA-N 327.336 2.065 5 1 EEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(N)ccnc2[nH]1 587118570 RNNPAIWOXFYNRD-UHFFFAOYSA-N 341.253 2.020 5 1 EEBF Nc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 29482330 PXYHVIRZNYCJCU-UHFFFAOYSA-N 344.352 2.140 5 1 EEBF C[N+](C)([BH2-]C#N)CCCCCCCCCCCC[N+](C)(C)[BH2-]C#N 195340587 AVQDRHIZTPBGRZ-UHFFFAOYSA-N 334.170 2.170 5 1 EEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(CCO)cc2[nH]1 587268399 VXOKGUDNCJYCSO-UHFFFAOYSA-N 329.360 2.374 5 1 EEBF NC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158749 HJAQIBMOXOEGOQ-UHFFFAOYSA-N 330.275 2.288 5 1 EEBF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 587649478 VSCHORHLYFGFDC-UHFFFAOYSA-N 325.280 2.494 5 1 EEBF Cn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCOCC2)cn1 587647439 IKZLZEXKJVICKS-UHFFFAOYSA-N 327.344 2.313 5 1 EEBF Cc1nc(N[C@@H]2CCCO[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821491 MUVKLQALFDQZKH-CMPLNLGQSA-N 332.364 2.167 5 1 EEBF COC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82083972 UUCDGKIYMSUHJG-QMMMGPOBSA-N 335.341 2.010 5 1 EEBF CCS(=O)(=O)c1cccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 586921836 NYEWMDXOQYGRBS-UHFFFAOYSA-N 346.368 2.251 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587272774 AHFIMFLCXAZXBW-UHFFFAOYSA-N 326.238 2.438 5 1 EEBF CCOC(=O)c1cnn(C)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279274 FRWYZUNAYDVPSY-UHFFFAOYSA-N 343.295 2.482 5 1 EEBF COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2O 85730812 DWXDTNCZRDEMJI-OKAWPSDYSA-N 345.395 2.176 5 1 EEBF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587235646 PIGFISBCBCIVPH-RITPCOANSA-N 339.149 2.083 5 1 EEBF COc1nccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264997 RBGVRKDYDINQOP-UHFFFAOYSA-N 329.272 2.374 5 1 EEBF CCOC(=O)Cc1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587277464 WMJYLVQBHKWQNB-JTQLQIEISA-N 343.343 2.383 5 1 EEBF COC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]2CC[C@H]1N2C 100664600 KHZYUUJRRGZBGU-MSELDCQNSA-N 349.343 2.242 5 1 EEBF COc1cc2c(=O)c3c(O)c(OC)c(O)cc3oc2c(OC)c1O 143200436 XOXCTCULZLSFIP-UHFFFAOYSA-N 334.280 2.089 5 1 EEBF O=[N+]([O-])c1cncc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586924701 UIFAPYCPRLTBOI-SREVYHEPSA-N 330.325 2.311 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587270809 QGHLQDIGVWPWMT-JTQLQIEISA-N 328.288 2.017 5 1 EEBF COC(=O)c1cccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267492 LCCXRLKQEIEUTG-SECBINFHSA-N 329.316 2.372 5 1 EEBF CC(=O)[C@@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc([N+](=O)[O-])cc1 26377074 OYCSKQKYVYWFLJ-HZPDHXFCSA-N 344.367 2.036 5 1 EEBF O=[N+]([O-])c1cc(-c2nnnn2Cc2ccccc2)cc([N+](=O)[O-])c1 1772657867 MONYANRODYPWCG-UHFFFAOYSA-N 326.272 2.205 5 1 EEBF Cc1ccccc1OCc1cn(CCn2c([N+](=O)[O-])cnc2C)nn1 40408810 QLVFIFSIGKJARD-UHFFFAOYSA-N 342.359 2.279 5 1 EEBF CCOC(=O)[C@@]1(C)[C@H](c2ccccc2[N+](=O)[O-])N(C)C(=O)N[C@@H]1C 473153601 BSZGFCFZNCTKHJ-AKWBHNSASA-N 335.360 2.249 5 1 EEBF CCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1cccc([N+](=O)[O-])c1 36278516 XRYFAZQSOTYLGY-KGLIPLIRSA-N 344.323 2.143 5 1 EEBF NC(COc1cccc([N+](=O)[O-])c1)COc1cccc([N+](=O)[O-])c1 2178320253 SZOOIHKOWTWZGX-UHFFFAOYSA-N 333.300 2.288 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587271069 ZEACXQAZTLNFDI-WFASDCNBSA-N 340.343 2.437 5 1 EEBF O=c1c(Nc2ccccc2)c(Nc2ccc([N+](=O)[O-])cc2O)c1=O 101113485 BGXSRDRXCPKCLB-UHFFFAOYSA-N 325.280 2.384 5 1 EEBF O=C(Cc1ccccc1)N[C@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)OC1 101101265 PXXHWNAKJKYPLZ-RZDIXWSQSA-N 342.351 2.368 5 1 EEBF O=C(Nc1ccccc1)C1=Cc2cc([N+](=O)[O-])ccc2S1(=O)=O 473154400 HBLFTZUQQISWQD-UHFFFAOYSA-N 330.321 2.362 5 1 EEBF COc1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2n1 587261788 IYQLVJYZQWPXQR-UHFFFAOYSA-N 330.300 2.462 5 1 EEBF COc1nccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587093157 WZLZYRBJQXUPNQ-UHFFFAOYSA-N 342.237 2.301 5 1 EEBF COc1ccc(-c2nnc3c([n+]2[O-])C(C)(C)OC3(C)C)cc1[N+](=O)[O-] 27549731 SLNVQELTLCKCIT-UHFFFAOYSA-N 346.343 2.194 5 1 EEBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586962989 VYNLHTLAIJBANJ-ZCFIWIBFSA-N 332.345 2.402 5 1 EEBF C[C@H](c1nc2c(Br)ccnc2[nH]1)n1cc([N+](=O)[O-])cn1 587276533 LORKFAIWQXGYQI-ZCFIWIBFSA-N 337.137 2.434 5 1 EEBF C[C@@H](CN)Oc1ccc2oc3ccc(O[C@H](C)CN)cc3c(=O)c2c1 95597937 QLFRNINFCGCFCZ-TXEJJXNPSA-N 342.395 2.398 5 1 EEBF Nc1cnc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)nc1 587252992 WUUWPRWISYNZME-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1-c1cccc(C(=O)O)c1 1857573047 DAJLNKOTEMJLAZ-UHFFFAOYSA-N 331.309 2.362 5 1 EEBF CCC(=O)Nc1ccc(OC[C@H](O)[C@@H](C)NC(C)C)c([N+](=O)[O-])c1 28768378 IXQGUDOQIHBYCA-RISCZKNCSA-N 339.392 2.070 5 1 EEBF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC 621475177 OCLPHUWTLQJCSL-NPRUJURCSA-N 337.357 2.410 5 1 EEBF CCN(CC)CC(=O)NCc1cc(-c2cccc([N+](=O)[O-])c2)no1 95556223 KSRGJMWBZPQBBI-UHFFFAOYSA-N 332.360 2.208 5 1 EEBF CNc1ccc2cc3ccc(N(C)S(C)(=O)=O)cc3nc2c1CO 28017284 NHPXFGHIVOZMLY-UHFFFAOYSA-N 345.424 2.318 5 1 EEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587266253 ZMIMSYSSYWIHNY-DVVUODLYSA-N 346.343 2.440 5 1 EEBF Nc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc([N+](=O)[O-])c1 587653466 WRNMFZXSFIOFTI-UHFFFAOYSA-N 344.714 2.229 5 1 EEBF Cc1nc(NCc2cccnc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821416 WQGYNBIOULNNKQ-UHFFFAOYSA-N 325.332 2.194 5 1 EEBF O=[N+]([O-])c1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1 473135197 GNRZLFBQKIWRTR-UHFFFAOYSA-N 340.328 2.084 5 1 EEBF O=[N+]([O-])c1cc(Cl)cc(-c2ccc3c(O)nc(O)nc3n2)c1O 587368100 BBDBBEIEIFMJNV-UHFFFAOYSA-N 334.675 2.370 5 1 EEBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](n2ccccc2=O)[C@@H]1OC=O 27554108 YNTGKGQCLRGFAR-CVEARBPZSA-N 344.323 2.059 5 1 EEBF Cn1ccc2c3n(c(=O)c(=O)cc1-3)c1ccc(Br)cc21 1772636656 OXSNYKNYWGEOGI-UHFFFAOYSA-N 329.153 2.457 5 1 EEBF COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c([N+](=O)[O-])c1 13154591 POQLTXUQTRSJEL-FHYCKABGSA-N 328.324 2.305 5 1 EEBF CC1(C)Cc2nnc(-c3cccc([N+](=O)[O-])c3)[n+]([O-])c2C(C)(C)O1 27557512 YJCYZIZSOBJLMK-UHFFFAOYSA-N 330.344 2.272 5 1 EEBF NC(=O)NCCC[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587259362 KDPLKGWAIFPHEG-JTQLQIEISA-N 349.398 2.108 5 1 EEBF CCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1 29486141 CECYKZPVPDNADT-UHFFFAOYSA-N 332.363 2.147 5 1 EEBF NC(=O)c1ccccc1N1CC=C(c2ccc([N+](=O)[O-])cc2)NC1=O 299856988 DLCICNMOMAGEKK-UHFFFAOYSA-N 338.323 2.264 5 1 EEBF Cc1csc(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)nn2)n1 1857534603 CUUKJTWCQTUVJL-UHFFFAOYSA-N 344.356 2.257 5 1 EEBF O=C(Cc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1[N+](=O)[O-] 6513854 YIKICLSWQBCOIW-CYBMUJFWSA-N 330.296 2.391 5 1 EEBF O=[N+]([O-])c1cc(COc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 169331785 QQUBDEBZTGCNAU-UHFFFAOYSA-N 342.271 2.058 5 1 EEBF NC(COc1ccccc1[N+](=O)[O-])COc1ccccc1[N+](=O)[O-] 2178320202 OQBVIWNJBGTWFU-UHFFFAOYSA-N 333.300 2.288 5 1 EEBF COC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272814 AQTDYCDFVJJUCQ-SECBINFHSA-N 329.316 2.258 5 1 EEBF COc1cccc(/C=C/C(=O)OCCn2c([N+](=O)[O-])cnc2C)c1 53226391 NYLURTZYLDYWMN-VOTSOKGWSA-N 331.328 2.365 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)cnc2[nH]1 587264225 DVSPGJWMQMPYAW-VIFPVBQESA-N 333.735 2.468 5 1 EEBF CC1(C)Oc2cc3oc4ccc(O)cc4c(=O)c3c(O)c2C[C@@H]1O 143613341 RRMPIEAXERVWKC-AWEZNQCLSA-N 328.320 2.432 5 1 EEBF COc1cc(OC)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587261560 CHIYFDMYKZVYLS-ADEWGFFLSA-N 347.371 2.241 5 1 EEBF CCn1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(=O)OC)n1 587647932 UEOBTUCOVWKNIH-UHFFFAOYSA-N 342.311 2.315 5 1 EEBF CCOC(=O)c1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n(C)n1 587279580 MIDVWBPUVHOUQJ-UHFFFAOYSA-N 343.295 2.482 5 1 EEBF O=C(O)CCc1nn2c(nc1=O)sc1ccc3ccccc3c12 1622607 RMRWKVKEKSKGOG-UHFFFAOYSA-N 325.349 2.475 5 1 EEBF COc1c2c(cc3c(=O)c4cccc(O)c4oc13)O[C@H]1OC=C[C@]21O 2356500677 ZDHPHBSJGVVZFG-MSOLQXFVSA-N 340.287 2.110 5 1 EEBF CN/C(=C/[N+](=O)[O-])NCCSCc1cc(C)c(CN(C)C)s1 48307288 BCKYGIJBLHQHDS-ZROIWOOFSA-N 344.506 2.236 5 1 EEBF COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13467805 JNHXLWWYDPFNKR-WAYYCVMKSA-N 332.312 2.065 5 1 EEBF O=c1nc2n(-c3ccc(F)cc3)c3cccc(F)c3cc-2c(=O)[nH]1 28641968 MSPGZCPSESBASR-UHFFFAOYSA-N 325.274 2.457 5 1 EEBF O=C1CO[C@H](COc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1 28714048 NYMZKRHBANMRTI-INIZCTEOSA-N 328.324 2.406 5 1 EEBF COc1cc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] 587261461 CANMNWXSBBFVBV-UHFFFAOYSA-N 345.271 2.362 5 1 EEBF CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)[C@@H](O)[C@@H]1O 13382566 FBANQZYYNUCDNL-PBHICJAKSA-N 328.320 2.217 5 1 EEBF biogenic Cc1ccc([N+](=O)[O-])c(OCCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587261466 BZGCZBPDAATHRJ-UHFFFAOYSA-N 348.750 2.209 5 1 EEBF COC(=O)c1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cn1 587267699 DIFYJVYBTRUVHT-UHFFFAOYSA-N 344.331 2.021 5 1 EEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(O)cc3[nH]2)cc1 586919762 GPYQCCWUPRZJCI-UHFFFAOYSA-N 333.325 2.151 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587265766 XQLTVRIVFGVSAG-POZPLHJXSA-N 349.318 2.061 5 1 EEBF CC(=O)N[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1 29340495 KDDPSLFZGRXIHU-INIZCTEOSA-N 328.324 2.457 5 1 EEBF Nc1cccc(C(=O)O)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587249798 JXYKMHRAEPXNBJ-UHFFFAOYSA-N 343.255 2.327 5 1 EEBF CCCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@@H]1CCOC1=O 587646758 KGRZFBPJWXUALC-LLVKDONJSA-N 331.328 2.074 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCCCn1cnc2cc(F)ccc2c1=O 473113350 GAFXLZNMLRNUJF-UHFFFAOYSA-N 345.334 2.429 5 1 EEBF C[C@]1(COc2ccc(C(F)(F)F)cn2)Cn2cc([N+](=O)[O-])nc2O1 653733775 QULRMAITZURFMC-GFCCVEGCSA-N 344.249 2.435 5 1 EEBF COc1cc(OCc2nc3ccc(C(N)=O)cc3[nH]2)ccc1[N+](=O)[O-] 587262480 AMUUIPPRHVKEBR-UHFFFAOYSA-N 342.311 2.158 5 1 EEBF COC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169321977 APIUBENSUSDCEP-NSHDSACASA-N 344.319 2.031 5 1 EEBF CN1CCN(c2ccc([N+](=O)[O-])c(NCCn3cccc3)c2)CC1 28955598 HNCIKWSCVIYUBH-UHFFFAOYSA-N 329.404 2.260 5 1 EEBF O=C(CC[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 72112002 MTGWJPLOJFNTKP-UHFFFAOYSA-N 331.294 2.021 5 1 EEBF Cc1nc(NC[C@H]2OCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821501 DCTDJGUQXJZXBR-JOYOIKCWSA-N 332.364 2.024 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccccn2)o1 95602251 UAAMFQDSNOGZSO-UHFFFAOYSA-N 332.345 2.337 5 1 EEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCO3 587263825 FTTFMYXBIRKTKP-VIFPVBQESA-N 342.311 2.148 5 1 EEBF O=C(O)c1cc(F)cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268698 JITNELMTLGOSQG-UHFFFAOYSA-N 331.263 2.316 5 1 EEBF CCOCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)O 169308238 YLQVAYALFZYOQL-UHFFFAOYSA-N 334.328 2.494 5 1 EEBF COc1cc(OC)nc(Sc2cccc([N+](=O)[O-])c2C(=O)O)n1 103198979 KPDIMNDFNNAMSO-UHFFFAOYSA-N 337.313 2.251 5 1 EEBF CCOC(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587777592 RYAUPBZRKBFEPM-UHFFFAOYSA-N 328.122 2.339 5 1 EEBF Cc1cc2nc(-c3ccc(CS(N)(=O)=O)cc3)[nH]c2cc1[N+](=O)[O-] 586930537 RSBFVAWBEBKQEX-UHFFFAOYSA-N 346.368 2.235 5 1 EEBF N=c1[nH]cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc-2[nH]1 587110281 YKLOSTRNMWOHEN-UHFFFAOYSA-N 338.249 2.235 5 1 EEBF Nc1ncc(-c2nc3ccc(Br)nc3[nH]2)cc1[N+](=O)[O-] 587268425 XGYYMAQAFAFMQA-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1 26575091 OJELCBFEIURAEP-UHFFFAOYSA-N 326.268 2.293 5 1 EEBF CCc1c2oc(C(=O)O)cc(=O)c2c(C)c2c(=O)cc(C(=O)O)oc12 169344934 USLADPQVHMRBEN-UHFFFAOYSA-N 344.275 2.167 5 1 EEBF Cc1nc(NCc2ccccn2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821425 RBBOVUJPBIOLQX-UHFFFAOYSA-N 325.332 2.194 5 1 EEBF CC(C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 238781291 QOMATUMHCQRUDT-CYBMUJFWSA-N 328.320 2.432 5 1 EEBF CC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261642 CYHITWFYJTXYKV-XDTLVQLUSA-N 329.356 2.426 5 1 EEBF CCc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 29479760 GSYNVDOWTAMAEA-UHFFFAOYSA-N 332.363 2.147 5 1 EEBF COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]2CC[C@H]1N2C 253664535 KHZYUUJRRGZBGU-OBEQPXDXSA-N 349.343 2.242 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587267211 GSNWGASODVODLX-SSDOTTSWSA-N 333.279 2.423 5 1 EEBF O=[N+]([O-])c1cncc2nc(CSc3nnc(S)s3)[nH]c12 587025240 JTSYXYXFXWFGJN-UHFFFAOYSA-N 326.388 2.299 5 1 EEBF COc1cc([C@@H](O)c2ncc([N+](=O)[O-])n2C)c(O)c(C(C)(C)C)c1 29471605 MMUGHZVJLWSNJQ-CQSZACIVSA-N 335.360 2.422 5 1 EEBF O=C(NCc1nc2cncc([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2 587035229 QKGMWOYQOKURDY-UHFFFAOYSA-N 343.368 2.346 5 1 EEBF Nc1nc(O)c2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 587048365 UMUQWGKXRAWWKT-DUXPYHPUSA-N 332.707 2.373 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261364 BMZXNMNGUOUSNP-NQMVMOMDSA-N 349.318 2.061 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587274612 QSAWSZKFNVMONY-ISVAXAHUSA-N 329.320 2.195 5 1 EEBF CN(C)CCNc1ccc2nnn3c4ccc(Cl)cc4c(=O)c1c23 5732898 AFXDVSBSNRAKKZ-UHFFFAOYSA-N 341.802 2.461 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4cn[nH]c4cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263307 LFDNWQXVXGYSPX-IEBDPFPHSA-N 327.344 2.100 5 1 EEBF O=[N+]([O-])c1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)c([N+](=O)[O-])c1 587264066 JYVOMQDBHYAHDT-UHFFFAOYSA-N 334.679 2.365 5 1 EEBF CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 13680750 VDOCSRQMNSSIHX-UHFFFAOYSA-N 331.357 2.455 5 1 EEBF Cc1cn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]c1=O 73160230 XDMCFVOHDQGPMU-UHFFFAOYSA-N 327.296 2.062 5 1 EEBF COC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1 653709685 HQRSEHWSBAGIGV-OAHLLOKOSA-N 341.323 2.162 5 1 EEBF Nc1nc(O)c2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 587048369 UMUQWGKXRAWWKT-RQOWECAXSA-N 332.707 2.373 5 1 EEBF COC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587264756 SNZZHWRFALYOPE-ADEWGFFLSA-N 345.355 2.010 5 1 EEBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cc(C)on1 587648536 HNHBROFCMFORMT-UHFFFAOYSA-N 329.268 2.390 5 1 EEBF O=C(NCCN1CCOCC1)c1cnc2c(ccc3ccccc32)c1 1857607145 UFYAQJGTUXUNNJ-UHFFFAOYSA-N 335.407 2.450 5 1 EEBF CCCOC[C@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 28713294 FBUYUMZYGKPLNJ-OAHLLOKOSA-N 330.388 2.348 5 1 EEBF in-vitro O=C(NCc1cccc(OC(F)(F)F)c1)c1nc([N+](=O)[O-])c[nH]1 1772612612 MWEWRMCDIKEOFC-UHFFFAOYSA-N 330.222 2.147 5 1 EEBF O=c1c(O)c(Nc2cc([N+](=O)[O-])ccc2O)/c1=N/c1ccccc1 101046005 SBZQHVHYXXHHNH-LGMDPLHJSA-N 325.280 2.218 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 587264661 JIURNHUJYPWGKL-LURJTMIESA-N 345.275 2.048 5 1 EEBF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587235647 PIGFISBCBCIVPH-WDSKDSINSA-N 339.149 2.083 5 1 EEBF COC(=O)c1cc(OC)c(OC)c2oc3cc(C)ncc3c(=O)c12 1772630099 DSIZIDLZALKUMH-UHFFFAOYSA-N 329.308 2.453 5 1 EEBF CC1(C)C[N@@]1P(=O)(OCCn1ccnc1[N+](=O)[O-])[N@]1CC1(C)C 1857535792 RCRCUBUCRUHRIX-IAGOWNOFSA-N 343.324 2.104 5 1 EEBF C[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@@H]1C2 169292354 TVEJJYBKWFNIQS-HBXLWWENSA-N 330.448 2.336 5 1 EEBF in-man Nc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](N)C(=O)O 587647048 DRSDUYWKMXNIQB-AWEZNQCLSA-N 326.312 2.410 5 1 EEBF COc1cc2ncnc(NCCCCCC(=O)NO)c2cc1OC 206981165 SJEDWNYCLFWBFX-UHFFFAOYSA-N 334.376 2.125 5 1 EEBF O=[N+]([O-])c1cccc(-n2cc(-c3cccc(-c4nn[nH]n4)c3)nn2)c1 473082123 GEINAMUTAQWFKJ-UHFFFAOYSA-N 334.299 2.023 5 1 EEBF COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2cccc([N+](=O)[O-])c12 587647794 QBYROQSZSRHZNR-UHFFFAOYSA-N 342.311 2.141 5 1 EEBF CCCc1nn(C)c2c(O)nc(-c3cccc([N+](=O)[O-])c3O)nc12 84688035 BFRFMPUWYTUYAB-UHFFFAOYSA-N 329.316 2.302 5 1 EEBF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587256715 OUELZISCQPDQRR-SECBINFHSA-N 338.339 2.212 5 1 EEBF C[C@H](O)[C@@]12C[N@+](C)([O-])[C@H]3C[C@]14C(=Nc1ccccc14)[C@H]1C[C@@H]2[C@@H]3CO1 1772593024 YHRIDASXCUOLRQ-FMWSWGRPSA-N 340.423 2.143 5 1 EEBF CCOCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719441 NKCXYRJVIOMXTG-KGLIPLIRSA-N 349.343 2.016 5 1 EEBF CC(C)COc1nc(N)nc(N)c1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 299835535 WZWAVXOCFJJKSZ-LBPRGKRZSA-N 349.366 2.224 5 1 EEBF COC(=O)c1ccnc2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc12 587269911 JCGUVQMKDKMHEM-UHFFFAOYSA-N 326.312 2.438 5 1 EEBF COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 13154750 OJSWZGUESFPIQQ-PJCOKBIESA-N 340.335 2.161 5 1 EEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnccc2[nH]1 587117518 KFBIFJNAPHESKI-UHFFFAOYSA-N 326.238 2.438 5 1 EEBF O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)nn1)NCc1ccccc1 473150899 NEFVDDCMSJNMQM-UHFFFAOYSA-N 337.339 2.170 5 1 EEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587273699 KMKKACLXNAVHBE-ZETCQYMHSA-N 333.279 2.309 5 1 EEBF CCOCCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719440 NKCXYRJVIOMXTG-UONOGXRCSA-N 349.343 2.016 5 1 EEBF N=c1sc([N+](=O)[O-])c2n1CCN2Cc1ccc(C(F)(F)F)nc1 103292436 SXJIRUXRCHJEBR-UHFFFAOYSA-N 345.306 2.371 5 1 EEBF COc1cc([C@H](O)c2ncc([N+](=O)[O-])n2C)c(O)c(C(C)(C)C)c1 29471609 MMUGHZVJLWSNJQ-AWEZNQCLSA-N 335.360 2.422 5 1 EEBF CCc1cc(O)nc(SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)n1 586966182 AKKDSKAOHVZGFN-UHFFFAOYSA-N 332.345 2.216 5 1 EEBF CCCOc1ccc([N+](=O)[O-])cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 13755571 JKSKMEXKYFYHOV-UHFFFAOYSA-N 343.343 2.329 5 1 EEBF C[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 100371407 TVEJJYBKWFNIQS-YTXYEVPYSA-N 330.448 2.336 5 1 EEBF in-man CCOc1cc(-c2cccc(F)c2)nn1-c1ncc([N+](=O)[O-])c(N)n1 587871956 QYQUNYQYSKXCFN-UHFFFAOYSA-N 344.306 2.358 5 1 EEBF CCCC[C@H]1COCCS(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 15937160 DEZHLFWDQRRFOT-HNNXBMFYSA-N 342.417 2.316 5 3 EEBF COC(=O)c1ccnc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12 587158752 HNIYXJKWAFWBAI-UHFFFAOYSA-N 346.274 2.371 5 1 EEBF O=[N+]([O-])c1cccnc1NCc1nc2cc3nc(O)[nH]c3cc2[nH]1 587269133 QTHAIMPFPBKPNT-UHFFFAOYSA-N 325.288 2.060 5 1 EEBF NCCCNc1nc(NCc2ccccc2Cl)ncc1[N+](=O)[O-] 28898857 GOALAEFONKNLFW-UHFFFAOYSA-N 336.783 2.411 5 1 EEBF O=[N+]([O-])c1ccn(CCCc2nc3cc4c(cc3[nH]2)OCCO4)n1 587274491 WUBLGJFUYQPFTI-UHFFFAOYSA-N 329.316 2.072 5 1 EEBF COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 102970293 AQJMIPJCUWITQP-ZHMYYEFOSA-N 332.312 2.065 5 1 EEBF CCCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@H]1CCOC1=O 587646796 KGRZFBPJWXUALC-NSHDSACASA-N 331.328 2.074 5 1 EEBF CCCCNc1ncc([N+](=O)[O-])c(Nc2ccccc2C(N)=O)n1 64485766 ZGKXKKXUVXYJDZ-UHFFFAOYSA-N 330.348 2.439 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587274614 QSAWSZKFNVMONY-OQPBUACISA-N 329.320 2.195 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Br)nc2[nH]1 587272750 ADMKCENVSHBAGE-UHFFFAOYSA-N 337.137 2.182 5 1 EEBF Nc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](N)C(=O)O 587647968 WCHWBZPVODJERF-CQSZACIVSA-N 326.312 2.410 5 1 EEBF CN1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 95573165 PKVGDSWLGGXPQP-UHFFFAOYSA-N 342.402 2.127 5 1 EEBF Cc1cc(N(C)Cc2nc3cnnc(O)c3[nH]2)c([N+](=O)[O-])cc1F 587136092 BEWFGBFXKLLEJJ-UHFFFAOYSA-N 332.295 2.051 5 1 EEBF COc1cc(OC)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587261561 CHIYFDMYKZVYLS-DLOVCJGASA-N 347.371 2.241 5 1 EEBF C[C@H](c1nc2cc(Br)ncc2[nH]1)n1cc([N+](=O)[O-])cn1 587275308 BQERUXZGYYSWGU-ZCFIWIBFSA-N 337.137 2.434 5 1 EEBF O=C([C@@H]1Cc2ccccc2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1)C(F)(F)F 962771104 VDNCHXFMZHPBNP-UWVGGRQHSA-N 340.261 2.053 5 1 EEBF Cn1c(=O)c2nccn2c2/c(=C/c3ccncc3)c3ccccc3c21 1857760258 NRKZEKGBLSQGCR-FOWTUZBSSA-N 326.359 2.282 5 1 EEBF COCC[S@](=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28261323 UHFNXVXEZDSZEY-XMMPIXPASA-N 346.360 2.398 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587265759 XQLTVRIVFGVSAG-BCMRRPTOSA-N 349.318 2.061 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cncc(Br)c2[nH]1 587274937 XFOPWPYFVPNLBG-UHFFFAOYSA-N 337.137 2.182 5 1 EEBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@]1(C)c1ccccc1 1857615795 DYWORPKHDWYHQS-INIZCTEOSA-N 343.343 2.165 5 1 EEBF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([N+](=O)[O-])c1 28460648 ZYTRDTCIVJECRR-UHFFFAOYSA-N 329.356 2.451 5 1 EEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 587268191 NOZYQXQDBCGFNB-UHFFFAOYSA-N 331.292 2.143 5 1 EEBF O=C(O)C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 1857634916 QGSAHXNJKPBCPG-CQSZACIVSA-N 340.291 2.407 5 1 EEBF CC(=O)Nc1c(C)cc2c(nc3n2CC[C@H]3OC(C)=O)c1[N+](=O)[O-] 5552840 QWSDMCYOYUSIHQ-LLVKDONJSA-N 332.316 2.219 5 1 EEBF O=[N+]([O-])c1ncn(CCCNCc2ccc(C(F)(F)F)cc2)n1 73196888 VIVFHDQVHHIHKP-UHFFFAOYSA-N 329.282 2.385 5 1 EEBF NC(=S)NNc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103213451 IAVBQSBFJTXFMP-UHFFFAOYSA-N 333.329 2.330 5 1 EEBF COC(=O)c1cccc2nc3cc(C(=O)COC(C)=O)ccc3nc12 103221362 VRLUHIKVPCDSDI-UHFFFAOYSA-N 338.319 2.315 5 1 EEBF NC(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264343 MAKPWRQHFZSVHW-UHFFFAOYSA-N 341.283 2.069 5 1 EEBF O=[N+]([O-])c1ccc(CSc2nnc(N3CCNCC3)s2)cc1 1857598190 SUIVNFIHYOTMTD-UHFFFAOYSA-N 337.430 2.148 5 1 EEBF C[C@@]1(COc2ccc(C(F)(F)F)nc2)Cn2cc([N+](=O)[O-])nc2O1 653724575 AYKXKCUKZDPGIS-LBPRGKRZSA-N 344.249 2.435 5 1 EEBF CCOC(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587277447 WFFMQYHSCOMTFX-VIFPVBQESA-N 329.316 2.454 5 1 EEBF COC(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1OC 587276571 MGGPXOWWWXAHKV-MRVPVSSYSA-N 345.315 2.072 5 1 EEBF CCO[C@H]1CCOC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1857591438 MNHYVTDGXCARNC-LBPRGKRZSA-N 338.360 2.378 5 1 EEBF N=C(N)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587268892 CNSGSLUUIHLIGO-UHFFFAOYSA-N 348.326 2.003 5 1 EEBF CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)[C@H](O)[C@H]1O 13382567 FBANQZYYNUCDNL-WMLDXEAASA-N 328.320 2.217 5 1 EEBF biogenic COC(=O)[C@H]1Nc2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1 653709684 HQRSEHWSBAGIGV-HNNXBMFYSA-N 341.323 2.162 5 1 EEBF CS(=O)(=O)/C=C\c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586923784 VPYKKQUSDILTRT-PLNGDYQASA-N 346.162 2.249 5 1 EEBF COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2cc([N+](=O)[O-])ccc12 587647454 JCAXDOJPJXSSEL-UHFFFAOYSA-N 342.311 2.141 5 1 EEBF COc1c(-c2ccc3c(O)nc(O)nc3n2)cc(C)cc1[N+](=O)[O-] 587552599 AEAKIQZTXBXCNR-UHFFFAOYSA-N 328.284 2.328 5 1 EEBF O=c1c2ccc(F)cc2ncn1CCCCn1cnc([N+](=O)[O-])c1 473118607 KQGSMMHISOUPKV-UHFFFAOYSA-N 331.307 2.121 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)OCCO3 587271076 ZNACYNHCMYQLAJ-LBPRGKRZSA-N 340.339 2.485 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COCc2ccccc2)nn1 653918615 KLTDLZWPMWGSHR-UHFFFAOYSA-N 342.359 2.108 5 1 EEBF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587043024 OWBYAIMEUUFTJH-JTQLQIEISA-N 335.389 2.486 5 1 EEBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@+]3([O-])C[C@@H]2O 685935670 DWXDTNCZRDEMJI-PQTDTLSBSA-N 345.395 2.176 5 1 EEBF biogenic,in-vitro Cc1ccc(CC(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 473117051 XSMNJNIBTBHMAW-UHFFFAOYSA-N 327.340 2.201 5 1 EEBF COC(=O)c1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n(C)n1 587279399 IYQFHFYSKFYHLY-UHFFFAOYSA-N 329.268 2.092 5 1 EEBF COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 5320518 JNHXLWWYDPFNKR-DZLLMUEISA-N 332.312 2.065 5 1 EEBF Nc1ncc(-c2nc3cc(Br)ncc3[nH]2)cc1[N+](=O)[O-] 587268357 SVGNZZQCHVIQMG-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(O)c([N+](=O)[O-])c1 104031622 HEEPKJSEGRGABI-BSHRGCEOSA-N 345.315 2.393 5 1 EEBF C[C@H]1C[N+]2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 28961794 SEIXQQAYBNWQRO-IYBDPMFKSA-N 334.440 2.077 5 1 EEBF CC(C)COc1nc(N)nc(N)c1[C@H](C[N+](=O)[O-])c1ccc(F)cc1 299835533 WZWAVXOCFJJKSZ-GFCCVEGCSA-N 349.366 2.224 5 1 EEBF O=C(Cn1ccc([N+](=O)[O-])n1)n1nc2cc1Oc1ccc(F)cc1-2 587874760 JTECGJPQSJUHHW-UHFFFAOYSA-N 329.247 2.240 5 1 EEBF Cc1nc(NC[C@@H]2OCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821502 DCTDJGUQXJZXBR-SKDRFNHKSA-N 332.364 2.024 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc([N+](=O)[O-])cc1C)O2 587391710 XHJXWCTWMSSSGO-MRXNPFEDSA-N 330.344 2.414 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587268114 XCMRJSCNPWVEAS-ZCFIWIBFSA-N 341.253 2.346 5 1 EEBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 586936496 PNYJWQXDACDSOV-UHFFFAOYSA-N 349.372 2.153 5 1 EEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(S)nc(S)nc2[nH]1 587270054 JAHJWXUKHSZGGZ-QMMMGPOBSA-N 348.413 2.081 5 1 EEBF COc1ccc2c(c1)CC[C@](N)(c1nc3cc([N+](=O)[O-])cnc3[nH]1)C2 587247527 TVMYGGQTLCRVNF-QGZVFWFLSA-N 339.355 2.218 5 1 EEBF O=C([C@H]1Cc2ccccc2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1)C(F)(F)F 962772045 VDNCHXFMZHPBNP-ZJUUUORDSA-N 340.261 2.053 5 1 EEBF COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2n1 587150004 XXOMOUCPSQYYOW-UHFFFAOYSA-N 346.274 2.371 5 1 EEBF CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3cccc([N+](=O)[O-])c23)n1 587647752 ODMJLCIKUMVDFI-UHFFFAOYSA-N 342.311 2.310 5 1 EEBF O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1cc(C(F)(F)F)ccn1)C2 1772598799 DGJFEOWMRIXGTI-MRVPVSSYSA-N 330.222 2.045 5 1 EEBF O=C(N[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1)c1ccccc1 101451215 CHDWKVQHIPIQFB-CZIWCDLHSA-N 328.324 2.439 5 1 EEBF CCn1nccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(=O)OC 587647800 QCXNJRKCJCOCQS-UHFFFAOYSA-N 342.311 2.315 5 1 EEBF CCn1c2nc(=O)n(C)c(=O)c-2cc2c3ccccc3cc(OC)c21 27866380 WHHPUWKEZINRAA-UHFFFAOYSA-N 335.363 2.382 5 1 EEBF c1ccc2c(c1)ccc1ccc([C@H]3CNCCNCCNCCN3)cc12 29126409 FMIQMSIOJXYMBB-JOCHJYFZSA-N 348.494 2.406 5 1 EEBF COc1cc2c(c(O)c1OC)c(=O)c1ccc(O)c(OC)c1n2C 14639452 OZGQDRFCQYKUKD-UHFFFAOYSA-N 331.324 2.129 5 1 EEBF biogenic O=C(OCc1ccccc1)[C@@H]1COC(c2ccc([N+](=O)[O-])cc2)=N1 49048611 FBLLLATXMSEYJB-HNNXBMFYSA-N 326.308 2.484 5 1 EEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)cnc4[nH]3)nn2)c1 587268948 DZWPRALQOJGPBE-UHFFFAOYSA-N 325.263 2.253 5 1 EEBF C[C@H](c1nc2ccc(Br)nc2[nH]1)n1cc([N+](=O)[O-])cn1 587275641 FHYBDBWYTOHNQI-ZCFIWIBFSA-N 337.137 2.434 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1cccc([N+](=O)[O-])c1)O2 587388673 FZGSZHZDHWVTRB-KRWDZBQOSA-N 328.324 2.338 5 1 EEBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccccn3)C2)ccc1CO 1857765868 SXXSUVGUILFHQM-INIZCTEOSA-N 328.372 2.169 5 1 EEBF CN1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 28113969 ORLMGKXNLDGPBF-UHFFFAOYSA-N 330.344 2.192 5 1 EEBF CC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261638 CYHITWFYJTXYKV-ICCXJUOJSA-N 329.356 2.426 5 1 EEBF Cn1nc([N+](=O)[O-])cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587273479 BGSQNLZOSBNMHM-UHFFFAOYSA-N 347.644 2.285 5 1 EEBF Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 586920886 UCCRULSTHSAQIV-UHFFFAOYSA-N 332.341 2.148 5 1 EEBF Nn1c(-c2cccc([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1 169311061 YTGUYEYGPIMZGE-UHFFFAOYSA-N 326.272 2.142 5 1 EEBF Nc1c(O)cccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](N)C(=O)O 587647799 QCVYHCQARRZPDQ-CQSZACIVSA-N 342.311 2.115 5 1 EEBF CCCNC[C@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 71282036 XOFZLAVJKGISHX-LBPRGKRZSA-N 343.379 2.391 5 1 EEBF Nc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](N)C(=O)O 587647051 DRSDUYWKMXNIQB-CQSZACIVSA-N 326.312 2.410 5 1 EEBF O=C1c2c([nH]ccc2=NCO)-c2nc3ccccc3c3ccnc1c23 2356795279 LTVMOGXQHUWSQJ-UHFFFAOYSA-N 328.331 2.173 5 1 EEBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccc(C)cc1 96929446 SZLHHGWLFDQOED-MRXNPFEDSA-N 343.343 2.299 5 1 EEBF COc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1OC 587273148 FFYVPVNBOYGEGJ-SECBINFHSA-N 331.332 2.489 5 1 EEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261363 BMZXNMNGUOUSNP-MRTMQBJTSA-N 349.318 2.061 5 1 EEBF CN1[C@H]2CC[C@@H]1CC(NC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 29561409 BUJFBBAEBCZPOD-AGUYFDCRSA-N 330.388 2.292 5 1 EEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587272851 BAJRXILXKKHARY-UHFFFAOYSA-N 337.242 2.346 5 1 EEBF CCOC(=O)c1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)oc1C 1911572055 OZFXCYORLCJBKH-PFONDFGASA-N 336.325 2.476 5 1 EEBF CNS(=O)(=O)NCc1nc2c3ccccc3c3ccccc3c2[nH]1 586942233 BZFOTMWVYBQKOX-UHFFFAOYSA-N 340.408 2.423 5 1 EEBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccncc1 587649038 ODJHZRKXTNPIFE-UHFFFAOYSA-N 325.280 2.489 5 1 EEBF COc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1OC 587273149 FFYVPVNBOYGEGJ-VIFPVBQESA-N 331.332 2.489 5 1 EEBF C[C@H](CN)Oc1ccc2oc3ccc(O[C@H](C)CN)cc3c(=O)c2c1 95597938 QLFRNINFCGCFCZ-VXGBXAGGSA-N 342.395 2.398 5 1 EEBF CCOC(=O)c1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)nn1C 587280489 YJRBQVXBSMCYGW-UHFFFAOYSA-N 343.295 2.482 5 1 EEBF CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(=O)OC)cn1 587647764 ONPACXUHPOHHPG-UHFFFAOYSA-N 342.311 2.315 5 1 EEBF CO[C@@]12CCO[C@H]1Oc1cc3oc4cccc(O)c4c(=O)c3c(O)c12 2356716953 CGLZIQOPCPNPAV-ZWKOTPCHSA-N 342.303 2.338 5 1 EEBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2cccnc2)o1 95603632 QPAOIVHSSWBJIV-UHFFFAOYSA-N 332.345 2.337 5 1 EEBF Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1ccc([N+](=O)[O-])cc1)O2 587388691 GIVBBGTZLFZFRW-KRWDZBQOSA-N 328.324 2.338 5 1 EEBF CS(=O)(=O)NC(=O)c1cccc2nc3cccc(Cl)c3nc12 1772637191 DBJATCIMGMWWBF-UHFFFAOYSA-N 335.772 2.126 5 1 EEBF COC(=O)c1cccn1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 6482733 DIWPLFACHHSSKO-UHFFFAOYSA-N 344.732 2.073 5 1 EEBF C[C@@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 653834961 JODOSHHBSNCLCJ-GFCCVEGCSA-N 333.388 2.314 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587268263 ZFSODLDCJXKSGW-SSDOTTSWSA-N 327.304 2.167 5 1 EEBF O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2ccc(Cl)cc2)no1 1857763203 QQKJIKLQBJTDKB-UHFFFAOYSA-N 348.706 2.133 5 1 EEBF COc1cc(O)c2c(=O)c3c(O)c(OC)c(OC)c(OC)c3oc2c1 14438328 PFIUFQOJAPBLTQ-UHFFFAOYSA-N 348.307 2.392 5 1 EEBF biogenic O=C(O)c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1F 587268526 BXWHUZCUOCCBHB-UHFFFAOYSA-N 331.263 2.316 5 1 EEBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])n[nH]1 587871217 CYNWSIFTMZGMGT-UHFFFAOYSA-N 345.290 2.408 5 1 EEBF O=C(Cc1cc(C(=O)O)c(C(=O)O)cc1[N+](=O)[O-])c1cccs1 653847536 QXQIBVXWWGHLBI-UHFFFAOYSA-N 335.293 2.478 5 1 EEBF N=c1[nH]cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc-2[nH]1 587269875 IFLRDEOCKNWJFN-UHFFFAOYSA-N 333.311 2.354 5 1 EEBF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587043026 OWBYAIMEUUFTJH-SNVBAGLBSA-N 335.389 2.486 5 1 EEBF O=c1c2nc([N+](=O)[O-])cn2ccn1Cc1cccc(C(F)(F)F)c1 1857556802 ZEYGSIVIICIGSA-UHFFFAOYSA-N 338.245 2.471 5 1 EEBF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587235644 PIGFISBCBCIVPH-NTSWFWBYSA-N 339.149 2.083 5 1 EEBF COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N+]3(C)[O-])[C@H]1O5 34558702 PMXUJDPQAVEYII-CMUWLYKVSA-N 327.380 2.437 5 1 EEBF C[C@H](O)[C@@]12C[N@@+](C)([O-])[C@@H]3C[C@]14C(=Nc1ccccc14)[C@H]1C[C@@H]2[C@@H]3CO1 473110950 YHRIDASXCUOLRQ-UTIHIPQHSA-N 340.423 2.143 5 1 EEBF COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] 93742419 OSUCQKNXQBPLDG-UKRRQHHQSA-N 346.339 2.389 5 1 EEBF O=C(O)c1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1F 587274442 VUCLJTQMEMXQPZ-UHFFFAOYSA-N 333.279 2.138 5 1 EEBF COc1cc2c3c(c1)O[C@@](C)(Cn1cc([N+](=O)[O-])cn1)[C@@H](C2)C3=O 587430678 ANMGKYQLJKUWGG-LRDDRELGSA-N 329.312 2.006 5 1 EEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587268264 ZFSODLDCJXKSGW-ZETCQYMHSA-N 327.304 2.167 5 1 EEBF CC(C)(CO)[C@@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586900973 FTLFTZPMJQXESM-JTQLQIEISA-N 344.165 2.286 5 1 EEBF O=C([C@@H]1Cc2ccccc2[C@H](c2nc[nH]c2[N+](=O)[O-])N1)C(F)(F)F 962772041 VDNCHXFMZHPBNP-VHSXEESVSA-N 340.261 2.053 5 1 EEBF O=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])o3)CC2)cc1 26722676 SHBFZTMDEAFNJU-UHFFFAOYSA-N 346.343 2.461 5 1 EEBF CCOCCOC(=O)c1c(CC)nn(-c2ccc([N+](=O)[O-])cc2)c1N 40972377 ZUMKLUNLKDNFGF-UHFFFAOYSA-N 348.359 2.118 5 1 EEBF CCNC(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587230956 PGSLZHPGZSVMIT-UHFFFAOYSA-N 341.165 2.302 5 1 EEBF O=[N+]([O-])c1ccccc1S(=O)(=O)c1cc(O)cc2c1NCCC2 1642737 COTJPEYQVLIPAK-UHFFFAOYSA-N 334.353 2.491 5 1 EEBF CC(C)(O)[C@@H]1Cc2c(c(O)cc3oc4cc(O)cc(O)c4c(=O)c23)O1 14514261 SVMJDJABXKINOS-ZDUSSCGKSA-N 344.319 2.137 5 1 EEBF biogenic COc1cc(-c2nc3cc(N)c(N)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261089 SMOZTKAIJOLHGM-UHFFFAOYSA-N 329.316 2.320 5 1 EEBF O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 101452291 LHLVNOWGDADEKP-FPCVCCKLSA-N 338.319 2.415 5 1 EEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 587264175 CQRDAFMPCYYXIJ-ZETCQYMHSA-N 329.276 2.294 5 1 EEBF COC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 6482730 GLDKFRXCFYFKQR-UHFFFAOYSA-N 344.732 2.073 5 1 EEBF C[C@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276119 JJJZSGXUPHIKTL-LLVKDONJSA-N 344.375 2.217 5 1 EEBF O=[N+]([O-])c1c(Br)ccc2nc(C3(O)CCOCC3)[nH]c12 586912696 GGADDOIHMKRKEG-UHFFFAOYSA-N 342.149 2.232 5 1 EEBF COC[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccsc2CCN1C(N)=O 962720985 YMHBQYIPZCMJFC-MRXNPFEDSA-N 347.396 2.483 5 1 EEBF C[N+]1([O-])CCc2cc3c(c4c2[C@H]1[C@@H](O)c1cccc(O)c1-4)OCO3 14683261 AOFHPOFSZVIFKI-YGYNJSFOSA-N 327.336 2.377 5 1 EEBF COC(=O)c1cccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587274222 OFDMYBWMZKXHKC-SECBINFHSA-N 329.316 2.258 5 1 EEBF COc1cncc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587270475 ZFUMUGMJRCDGLW-UHFFFAOYSA-N 328.284 2.266 5 1 EEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(C(F)(F)F)cn1)C2 72124409 RPSQUYPWYBGYSS-JTQLQIEISA-N 344.249 2.183 5 1 EEBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccnc1 587649117 QKBHTKTYAPAUTM-UHFFFAOYSA-N 325.280 2.489 5 1 EEBF COC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]2CC[C@H]1N2C 253664534 KHZYUUJRRGZBGU-BWUZBNCSSA-N 349.343 2.242 5 1 EEBF Nc1nc2ccc3ccc(I)cc3c2c(=O)[nH]1 13832390 MIISFGLDHJRHGS-UHFFFAOYSA-N 337.120 2.263 5 1 EEBF COc1ccc(C=O)c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1OC 587791605 FWBAWFYICJURSN-UHFFFAOYSA-N 328.284 2.363 5 1 EEBF Cc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc([N+](=O)[O-])cc1 103286312 QHHQFMFUBXEHHL-UHFFFAOYSA-N 339.311 2.389 5 1 EEBF CC(C)N(C(C)C)[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377803618 GRZPASCXXFPUBX-UHFFFAOYSA-N 328.305 2.114 5 1 EEBF COc1cncc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264692 PQNVOYSGOFVNDO-UHFFFAOYSA-N 329.272 2.374 5 1 EEBF COc1ccc(Cn2c(=O)[nH]c3cc([N+](=O)[O-])ccc32)c(OC)c1 72172128 BYDHSFGWZOZAQH-UHFFFAOYSA-N 329.312 2.303 5 1 EEBF COc1ccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)cc1 261100604 GGQWQWQNVXMOIX-UHFFFAOYSA-N 334.335 2.054 5 1 EEBF CCOC(=O)CNc1nc(Nc2ccc(OC)cc2)ncc1[N+](=O)[O-] 653894868 XAYAOWUTBZXQPL-UHFFFAOYSA-N 347.331 2.112 5 1 EEBF Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1C 1849940 FIFGILIKFDYILR-UHFFFAOYSA-N 332.363 2.201 5 1 EEBF CO[C@]12CCO[C@@H]1Oc1cc3oc4cccc(O)c4c(=O)c3c(O)c12 2356716951 CGLZIQOPCPNPAV-MSOLQXFVSA-N 342.303 2.338 5 1 EEBF CCOC(=O)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 14956515 SKRFJKMTUIWARN-UHFFFAOYSA-N 334.288 2.482 5 1 EEBF COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1O)c2c34 15150708 NDXSDWFOYZXARW-UHFFFAOYSA-N 344.275 2.222 5 1 EEBF biogenic Nc1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587267656 CODBQODNRPYDDV-UHFFFAOYSA-N 339.290 2.440 5 1 EEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262675 HHJGCJXLYZQRLA-DVVUODLYSA-N 332.316 2.132 5 1 EEBF Cn1cc([N+](=O)[O-])c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587875921 VIWGMEOOTJJGMT-UHFFFAOYSA-N 329.247 2.125 5 1 EEBF C[C@H]1C[N+]2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 28961799 SEIXQQAYBNWQRO-HOTGVXAUSA-N 334.440 2.077 5 1 EEBF O=C1NC(=O)C(N2CCc3ccccc32)=C1c1ccccc1[N+](=O)[O-] 14946042 FAYCRVHZDSFSBE-UHFFFAOYSA-N 335.319 2.025 5 1 EEBF COc1c(OC)c(O)c2c(=O)c3ccc(O)c(OC)c3[nH]c2c1OC 26646578 DIMJPLAJPKCLFO-UHFFFAOYSA-N 347.323 2.127 5 1 EEBF biogenic COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cn(C)nc1C 587647585 JMRXSPUPIAUFTK-UHFFFAOYSA-N 342.311 2.136 5 1 EEBF CCOC(=O)c1nc(O)c2cc3c(OC)ccc(OC)c3nc2n1 26645742 WOSWUEKZXNBMFR-UHFFFAOYSA-N 329.312 2.078 5 1 EEBF COc1cc2c(=O)c3c(O)c(OC)c(OC)cc3n(C)c2cc1OC 238749220 HBNBAVVVZLIKJN-UHFFFAOYSA-N 345.351 2.432 5 1 EEBF COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cn1 587148433 HLNZQLVMQYSPHF-UHFFFAOYSA-N 346.274 2.371 5 1 EEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(CCO)cc2[nH]1 587269011 GWBQAWPSRVXMJO-UHFFFAOYSA-N 341.323 2.397 5 1 EEBF O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1ccccc1 473150895 NCIKDFXHRFAELP-UHFFFAOYSA-N 337.339 2.170 5 1 EEBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1CO 82085214 SLXWTXUXRRZSMG-SNVBAGLBSA-N 333.369 2.315 5 1 EEBF O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C(=O)NCc1ccccc1 299866382 OTCOLQSIRYFZBP-MRXNPFEDSA-N 341.323 2.442 5 1 EEBF Cc1nc2c([N+](=O)[O-])csc2c(=O)n1CC(=O)OC(C)(C)C 1857575985 YPHILHKINVMMPM-UHFFFAOYSA-N 325.346 2.016 5 1 EEBF CCOC(=O)[C@]1(C)[C@@H](C)NC(=O)N(C)[C@@H]1c1ccccc1[N+](=O)[O-] 473153605 BSZGFCFZNCTKHJ-CKUKBARFSA-N 335.360 2.249 5 1 EEBF Cn1c([N+](=O)[O-])cnc1C(=O)NCc1cccc(OC(F)(F)F)c1 1857575163 WNULGSZGZDGMFX-UHFFFAOYSA-N 344.249 2.157 5 1 EEBF C[C@@H]1NC(c2ccc([N+](=O)[O-])cc2)=Nc2nc3ccccn3c2C1=O 103245034 KEPDUUDXHGCSLV-JTQLQIEISA-N 335.323 2.495 5 1 EEBF Nc1ccc([S@](=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 29480660 SGYJHXHAOBGOEO-HSZRJFAPSA-N 328.353 2.474 5 1 EEBF COc1c2c(cc3c(=O)c4cccc(O)c4oc13)O[C@@H]1OC=C[C@]21O 2356500680 ZDHPHBSJGVVZFG-ROUUACIJSA-N 340.287 2.110 5 1 EEBF O=C1NCCN(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21 139033151 REEZKTBPOSXDTL-UHFFFAOYSA-N 328.284 2.385 5 1 EEBF COC(=O)[C@@]1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1CC[N+]32C 238777084 ULQWGSLWPRTHGU-AOIBSAIQSA-N 341.431 2.156 5 1 EEBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C(NC1CCCC1)S2 95581188 NFZPYTAWQZAWMZ-UHFFFAOYSA-N 327.387 2.277 5 1 EEBF Nc1cc(F)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1N 587136078 BBFDPPPMEIBPBE-UHFFFAOYSA-N 332.251 2.350 5 1 EEBF COC(=O)c1cccc2nc3c(C(=O)OC)ccc(OC)c3nc12 14502725 OJFRKANHQKUSGN-UHFFFAOYSA-N 326.308 2.365 5 1 EEBF biogenic CS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 64559765 JZAVUDVHWTUQAA-RIYZIHGNSA-N 344.348 2.491 5 1 EEBF O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N[C@H]1CCc2ccccc21 66251840 QFFLLSBPINLRJI-LBPRGKRZSA-N 330.296 2.148 5 1 EEBF Cc1cc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c(C)n1 587265499 VDRZGTVTUWIFNX-NSHDSACASA-N 327.344 2.431 5 1 EEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587274666 RSYCBRGRDHWFIE-SECBINFHSA-N 340.343 2.356 5 1 EEBF O=C(Cn1nncc1-c1ccc([N+](=O)[O-])cc1)NCc1ccccc1 473150538 MEXYRPQDZJDHQW-UHFFFAOYSA-N 337.339 2.170 5 1 EEBF COc1cc(OC)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587274932 XCFPYIDBJLBSES-SECBINFHSA-N 331.332 2.489 5 1 EEBF COc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 587266090 ZBPAZRLJYRKAOV-UHFFFAOYSA-N 329.272 2.374 5 1 EEBF COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cn1 587268903 DBFKPQHRELPOIK-UHFFFAOYSA-N 337.299 2.122 5 1 EEBF CN1[C@H]2CC[C@H]1CC(n1nnc3cc([N+](=O)[O-])c(Cl)cc3c1=O)C2 100856512 NEYIAWIOWQSPRS-IUCAKERBSA-N 349.778 2.151 5 1 EEBF CC(C)(C)NC[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 25973789 VFFBJVRFPZBMEC-SNVBAGLBSA-N 330.768 2.154 5 1 EEBF Nc1ncc(-c2nc3cncc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268393 VHQVDIAOYOTLHA-UHFFFAOYSA-N 335.121 2.273 5 1 EEBF O=C(O)[C@H]1C(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H]1C(=O)O 587970855 NORYKTZTCCJHEK-GJZGRUSLSA-N 348.318 2.158 5 1 EEBF COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3ncn2c31 100901356 NJTQMNXHSDDMHX-UHFFFAOYSA-N 336.395 2.421 5 1 EEBF in-vitro C[N+](C)(CCCCCCO)CCCN1C(=O)c2ccccc2C1=O 29207299 AANUETUASYUMLM-UHFFFAOYSA-N 333.452 2.302 5 1 EEBF O=C(Cc1ccccc1)N[C@H]1CO[C@H](c2cccc([N+](=O)[O-])c2)OC1 101099063 PXXHWNAKJKYPLZ-RHNCMZPLSA-N 342.351 2.368 5 1 EEBF COc1c2c(cc3oc4cccc(O)c4c(=O)c13)O[C@H]1OC=C[C@]21O 13374526 XHQIJMIDMXGFJD-MSOLQXFVSA-N 340.287 2.110 5 1 EEBF biogenic O=[N+]([O-])c1cc(Br)cc2nc(C[C@H]3COCCO3)[nH]c12 586908537 BZHYGNMHWNEBTD-QMMMGPOBSA-N 342.149 2.192 5 1 EEBF Cc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cccc1[N+](=O)[O-] 587262415 ROJXEGPTRSYDQO-UHFFFAOYSA-N 332.341 2.094 5 1 EEBF O=C(O)CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 3790581 ALFVGZFBEKKEJT-UHFFFAOYSA-N 345.267 2.234 5 1 EEBF C[C@H](c1nc2cncc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276491 LGSQGIKEMWQRKV-ZCFIWIBFSA-N 337.137 2.434 5 1 EEBF N=C(N)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587159782 YLOHFKUDQHVRQA-UHFFFAOYSA-N 329.291 2.473 5 1 EEBF CNc1ccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 1857643338 ZLMASEBILDZJTR-UHFFFAOYSA-N 344.371 2.188 5 1 EEBF CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)[C@H](O)[C@@H]1O 13382568 FBANQZYYNUCDNL-YOEHRIQHSA-N 328.320 2.217 5 1 EEBF biogenic COc1cc2c(c3[nH]c4ccccc4c(=O)c13)[C@@H](O)[C@@H](O)C(C)(C)O2 13459135 SZCZIVYCHPRUFS-QZTJIDSGSA-N 341.363 2.255 5 1 EEBF biogenic COC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2n1 587268129 LOXNGXXVCBXENG-UHFFFAOYSA-N 344.331 2.021 5 1 EEBF