smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)sc2c1 4497801 KTXOCHZGDSHYSU-UHFFFAOYSA-N 343.407 4.718 5 40 EJBB CC(C)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 32666574 BXPHZQXLXRQDCC-UHFFFAOYSA-N 349.770 4.853 5 40 EJBB O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 39018 KPVJAOXKKLKLGL-UHFFFAOYSA-N 343.342 4.979 5 40 EJBB O=[N+]([O-])c1ccccc1Oc1ncnc2sc3c(c12)CCCCC3 6881342 RAFALHAFVAUJPI-UHFFFAOYSA-N 341.392 4.661 5 40 EJBB CC(C)c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 7009349 NEKUGGFHSNCXLN-UHFFFAOYSA-N 347.846 4.573 5 40 EJBB Cc1ccc(-c2nc(CNc3cc([N+](=O)[O-])ccc3C)cs2)cc1 8194368 SXJGHGXPFYWTQV-UHFFFAOYSA-N 339.420 4.947 5 40 EJBB CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 7037009 YUZNQUNYDVGYKU-KRWDZBQOSA-N 346.814 4.765 5 40 EJBB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C 8306558 GEIMOGDGLAYABJ-QAPCUYQASA-N 338.407 4.925 5 40 EJBB Cc1ccccc1NC(=O)/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 15276574 APOPOFGEIAOQJO-QBFSEMIESA-N 348.358 4.815 5 40 EJBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(C)(C)C 43314241 LUQJDPKAQPXVLV-UHFFFAOYSA-N 341.411 4.556 5 40 EJBB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3ccccc3nc2c1 408974849 HLVHNCSTBAMLLG-UHFFFAOYSA-N 335.451 4.728 5 40 EJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 15417547 BNBBEYPLHFLBBF-KRXBUXKQSA-N 337.162 4.554 5 40 EJBB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 715470 JCZZGCBBIPCCSZ-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB O=[N+]([O-])c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1 319860 JHISYUPBAWBEFE-UHFFFAOYSA-N 347.783 4.591 5 40 EJBB O=[N+]([O-])c1cccc2ccc(/C=C/c3ccccc3OC(F)F)nc12 5155763 ZBWMZSOSXZWJAB-CSKARUKUSA-N 342.301 4.915 5 40 EJBB CC(=O)OCC/C(=C\c1cc2ccccc2c2ccccc12)[N+](=O)[O-] 17423037 OAHAFQKXZJIBLO-GHRIWEEISA-N 335.359 4.564 5 40 EJBB O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 203618 NLJFHFCUPHYANO-IBGZPJMESA-N 342.358 4.584 5 40 EJBB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1Cl 5997091 IDWYPWHZBSKXBF-KTKRTIGZSA-N 333.771 4.565 5 40 EJBB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 9141539 AGEGEHDKJUUNEQ-UHFFFAOYSA-N 348.358 4.523 5 40 EJBB C[C@@]12CC3CC(C(=O)Nc4ccc([N+](=O)[O-])cc4)(C1)C[C@@](C)(C3)C2 100676384 RBXSMVLMZRTZCW-BHJVWRQASA-N 328.412 4.530 5 40 EJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccccc2)c1 2635047 HMBXDQDOWDUFOB-UHFFFAOYSA-N 349.342 4.744 5 40 EJBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c2ccncc12 69294900 JHCBKQNEPRYWGG-UHFFFAOYSA-N 339.401 4.904 5 40 EJBB O=c1oc2ccccc2c(Nc2ccc3ccccc3c2)c1[N+](=O)[O-] 8687162 IOCXATKDXYCKOZ-UHFFFAOYSA-N 332.315 4.598 5 40 EJBB Cc1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4455885 VURVXSWISICACQ-UHFFFAOYSA-N 341.245 4.574 5 40 EJBB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 3615125 RRFQKLOJPGJFGB-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cn2)c2cccs2)cc1 12886163 YXSLVDLOSQOOMB-QGZVFWFLSA-N 325.393 4.561 5 40 EJBB CCN(Cc1csc([N+](=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 58378163 NEEZDBJXSDIEFO-GFCCVEGCSA-N 330.409 4.986 5 40 EJBB C[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)c1ccccc1 2056479 XIIABVOOWCPZQR-HUUCEWRRSA-N 327.380 4.582 5 40 EJBB O=C(Sc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc2ccccc12 409392853 SNRSAATWUVKUHZ-UHFFFAOYSA-N 349.371 4.557 5 40 EJBB O=[N+]([O-])c1ccc(OCc2coc(-c3ccc(F)cc3)n2)c(Cl)c1 24226627 DPLYGCUIKLYWLD-UHFFFAOYSA-N 348.717 4.621 5 40 EJBB O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(Cl)cc2)c1 26423047 LGZUWMMLVTXOKI-UHFFFAOYSA-N 331.784 4.763 5 40 EJBB O=[N+]([O-])c1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)nc1 23296214 CLGXSAPVSMPBFH-UHFFFAOYSA-N 329.743 4.515 5 40 EJBB Cc1c(Cl)cccc1NC(=O)c1cccc2nc3ccccc3nc12 9910304 YZCKOYHKGHTTSU-UHFFFAOYSA-N 347.805 4.997 5 40 EJBB CCOc1ccccc1[C@@H](CC(C)C)Nc1ncccc1[N+](=O)[O-] 72307335 QVLHAMOCQARPNG-OAHLLOKOSA-N 329.400 4.588 5 40 EJBB Cc1c(O)ccc2c1oc1c(C(C)C)c3c(O)nn(C(C)C)c3nc12 79501910 GPKLWGYWNJRXFX-UHFFFAOYSA-N 339.395 4.755 5 40 EJBB O=[N+]([O-])c1cccc(-c2nc(Oc3ccccc3)c3ccccc3n2)c1 524535 WBXPOPKFCUFRJS-UHFFFAOYSA-N 343.342 4.997 5 40 EJBB [O-][n+]1c(C2CCCCC2)n(O)c2c3ccccc3c3ccccc3c21 6864859 ICTZGQPCGMEXBA-UHFFFAOYSA-N 332.403 4.866 5 40 EJBB C[C@H]1CCc2c(sc3ncnc(Oc4ccc([N+](=O)[O-])cc4)c23)C1 6455814 RUVGSDCPBASYFD-JTQLQIEISA-N 341.392 4.517 5 40 EJBB Cc1cc(Cl)ccc1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3166804 NAWIOWTXMJCBHL-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)C1CCCCC1 16525189 KMFSUQCOTFAJQD-UHFFFAOYSA-N 337.444 4.934 5 40 EJBB Cc1cc(OCc2csc(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 24716132 XSNQJXUADPWIHU-UHFFFAOYSA-N 344.367 4.745 5 40 EJBB c1ccc2nc3c(nc2c1)sc1nc2cccc4cccc(c42)n13 1572439 JMJGPQHZAFOBPS-UHFFFAOYSA-N 326.384 4.799 5 40 EJBB O=[N+]([O-])c1ccc(Oc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 1684206 XUGFIZNNHRKLCA-UHFFFAOYSA-N 329.095 4.602 5 40 EJBB Cc1ccccc1C[N+](C)(C)CCC(=O)c1ccc2c(c1)CCCC2 3087515 NOJWIUNYMDDIQM-UHFFFAOYSA-N 336.499 4.723 5 40 EJBB CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 92339 FDVFUOAGKOCQKN-UHFFFAOYSA-N 326.197 4.520 5 40 EJBB Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 276697 QUTUQFXOSCWBBI-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB COc1ccc([C@H](O)c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 226297130 BHQZUXFKVYECJS-FQEVSTJZSA-N 349.342 4.585 5 40 EJBB CCC[C@H](O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1 1727669 ZJVIXFCBKNAXJS-RYUDHWBXSA-N 340.634 4.560 5 40 EJBB COc1ccc(CSc2cccc3ccc(C)nc23)cc1[N+](=O)[O-] 13234451 MUUBKWNLHQKRJV-UHFFFAOYSA-N 340.404 4.752 5 40 EJBB CNc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1[N+](=O)[O-] 21323010 WJMFMPMVJKNYCQ-VMPITWQZSA-N 325.393 4.725 5 40 EJBB O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccccc3)c2c2ccccc12 12597368 JHMZZAJWHPHJRK-UHFFFAOYSA-N 340.304 4.762 5 40 EJBB Cc1nc(SCc2cccc([N+](=O)[O-])c2C)n(CC(C)C)c1C 59124200 RGLIADFUIHVEDW-UHFFFAOYSA-N 333.457 4.665 5 40 EJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc2ccccc2c1 7067932 DIJIAVTWJMGEFM-OAHLLOKOSA-N 348.402 4.510 5 40 EJBB Cc1ccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 226297105 HWRVIVJQWVMKNZ-HXUWFJFHSA-N 333.343 4.884 5 40 EJBB O=[N+]([O-])c1cccc(Oc2ccnc3cc(C(F)(F)F)ccc23)c1 712184 OEFTXPYQGWPOKL-UHFFFAOYSA-N 334.253 4.954 5 40 EJBB Cc1ccc(C)n1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 58438306 URRPBJQQBVYZDX-UHFFFAOYSA-N 333.819 4.508 5 40 EJBB CC(=O)c1ccc(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)cc1 2886449 XQPDPRKCUMHSEL-CSKARUKUSA-N 338.319 4.524 5 40 EJBB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc([N+](=O)[O-])cc4)c23)C1 6455298 RUVGSDCPBASYFD-SNVBAGLBSA-N 341.392 4.517 5 40 EJBB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl 3566705 DMFLKQJBEJYRIO-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2cccs2)o1 4247130 UEBDGXJOFWSRGU-UHFFFAOYSA-N 346.367 4.725 5 40 EJBB O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1 57292077 RTPINXTVHBPRKJ-INIZCTEOSA-N 339.420 4.542 5 40 EJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 6970876 IXMDSJOIMNPEGI-FHLIZLRMSA-N 344.798 4.883 5 40 EJBB O=[N+]([O-])C[C@H](c1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12 86083 RYOZXDJCTOEOFN-MRXNPFEDSA-N 332.359 4.837 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)cc1Br 26508307 UZRXJDMXUXQIOL-UHFFFAOYSA-N 328.549 4.803 5 40 EJBB CCO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1C(C)C 1719923 MJBVTDIBPAKOBD-XMMPIXPASA-N 349.323 4.652 5 40 EJBB O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 339710 RCKWHPOEPPUNMN-UHFFFAOYSA-N 342.203 4.877 5 40 EJBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2ccccc2)cc1 566761 JAOVDYUVYMUPRH-UHFFFAOYSA-N 336.322 4.653 5 40 EJBB C[C@H]1CC(C)(C)C[C@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)[C@@H]1C 20569303 WZCPBHQNGPQOEP-SCRDCRAPSA-N 344.411 4.574 5 40 EJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(OC(C)C)c1 9141762 XXLBSHMWXXCQII-UHFFFAOYSA-N 348.786 4.596 5 40 EJBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 241530 GHJDXSGZMCDRHG-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1c(C)c(C)c(COC(=O)c2ccc([N+](C)(C)C)cc2)c(C)c1C 138060333 IQNHKJNAZDASKA-UHFFFAOYSA-N 340.487 4.782 5 40 EJBB O=C(Nc1ccccc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975120 HULMCJDKUOTODR-UHFFFAOYSA-N 338.370 4.517 5 40 EJBB O=C(Nc1ccccc1F)Nc1cc2cccnc2c2cccnc12 6343740 NDSAHZRUFGDIPV-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB O=C(Nc1ccc(F)cc1)Nc1cc2cccnc2c2cccnc12 408976797 SFWRXHZYIQLFRU-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB O=[N+]([O-])c1c(Sc2ccccc2)ncnc1Sc1ccccc1 1558592 ZHFDDXMMGBRJOM-UHFFFAOYSA-N 341.417 4.687 5 40 EJBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 6657424 PWCAAKOZVBGCMW-INIZCTEOSA-N 344.802 4.934 5 40 EJBB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C 8306559 GEIMOGDGLAYABJ-YJBOKZPZSA-N 338.407 4.925 5 40 EJBB Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1C 5257531 GZFSTQJMMHGVBB-UHFFFAOYSA-N 327.387 4.652 5 40 EJBB O=[N+]([O-])c1ccc(C2=N[C@H](c3ccccc3)[C@H](c3ccccc3)O2)cc1 1686036 SVORWJALIHGFJK-UXHICEINSA-N 344.370 4.854 5 40 EJBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 44085523 PGLJUPJWYLOBDB-UHFFFAOYSA-N 339.420 4.868 5 40 EJBB CC(C)(C)NC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408975104 HOEZHZPQIKYPNO-UHFFFAOYSA-N 335.432 4.526 5 40 EJBB Cc1ccc2c(c1)S[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)S2 16348204 NFDROOQNGJBXBB-INIZCTEOSA-N 331.418 4.700 5 40 EJBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 4257509 UXFPLSBIOXIXNJ-NRFANRHFSA-N 343.386 4.951 5 40 EJBB CC(C)NC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 33744578 HWCBGLSRYPCMCZ-UHFFFAOYSA-N 336.420 4.528 5 40 EJBB O=[N+]([O-])c1cc(Br)cc(Cl)c1NC1CCCCC1 45958936 SBWJVQUEIYWWSU-UHFFFAOYSA-N 333.613 4.755 5 40 EJBB COc1cc2nc3c4ccccc4n(CCC(C)C)c3nc2cc1OC 5014084 UKUYQOWCJVWWRL-UHFFFAOYSA-N 349.434 4.801 5 40 EJBB O=[N+]([O-])c1c(NCc2csc3ccccc23)ccc2ncccc12 84593160 QSJRCKGCNOQKTK-UHFFFAOYSA-N 335.388 4.970 5 40 EJBB CC[N+](C)(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 1712475 FABIYRACYXJOSC-HNNXBMFYSA-N 334.915 4.955 5 40 EJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(F)cc2)o1 258372 DXNYBQAYNRBDNB-UHFFFAOYSA-N 340.310 4.555 5 40 EJBB CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1 36627552 IYRNJATVADGLGM-UHFFFAOYSA-N 343.382 4.613 5 40 EJBB O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)c1 153150 UYNSYEZVRKEGMF-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB O=C(Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2)c1ccco1 28990 KSVOQAWAXRBCNO-UHFFFAOYSA-N 348.314 4.716 5 40 EJBB biogenic O=[N+]([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)cc1 72097189 NUQLMAFJXPAVEX-UHFFFAOYSA-N 330.815 4.807 5 40 EJBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 7781282 MDBVKEGLTZJAJG-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB O=[N+]([O-])c1c(Oc2ccc(-c3ccccc3)cc2)nc2sccn12 8308772 BTANZRXVEGATQG-UHFFFAOYSA-N 337.360 4.763 5 40 EJBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccccc3)c2)cc1 385552434 XJSYBRQIBXKMHH-UHFFFAOYSA-N 334.375 4.786 5 40 EJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Cl)c1)N2 6970035 KBVFFEAAKZUBNQ-FHLIZLRMSA-N 344.798 4.883 5 40 EJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1 1986086 AFJKKUIYGVNVFH-SNAWJCMRSA-N 337.162 4.554 5 40 EJBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cccs1 4520560 DZSBNBCCZPKIOW-UHFFFAOYSA-N 337.425 4.729 5 40 EJBB CCc1nn2c(-c3ccc([N+](=O)[O-])cc3)ccnc2c1-c1ccccc1 6757829 YCZHFUFBBKCPQI-UHFFFAOYSA-N 344.374 4.534 5 40 EJBB c1ccc2c(c1)nc(NCc1ccc3c(c1)OCO3)c1ccccc12 31716633 KWDBVGVYWLJXAF-UHFFFAOYSA-N 328.371 4.729 5 40 EJBB O=c1cc(-c2cc3cc([N+](=O)[O-])ccc3o2)c2cc(Cl)ccc2o1 2435783 NZYVPBRNOHLXGG-UHFFFAOYSA-N 341.706 4.768 5 40 EJBB O=[N+]([O-])c1ccc(CNc2ccc(Br)c(Cl)c2)cc1 218005879 PVTSHHLURCILEN-UHFFFAOYSA-N 341.592 4.623 5 40 EJBB CCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 7984165 CMFNIPSGXYNRJE-UHFFFAOYSA-N 345.738 4.709 5 40 EJBB Cc1ccc(-c2nc(COc3cccc([N+](=O)[O-])c3)cs2)cc1 8313578 USFDYNGAMXTLAV-UHFFFAOYSA-N 326.377 4.606 5 40 EJBB O=[N+]([O-])c1cc(CN(CCC(F)(F)F)C2CCCCC2)cs1 75108877 WEWOXGSHTBYUCR-UHFFFAOYSA-N 336.379 4.743 5 40 EJBB CCc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2=S)cc1 4134982 NYIUUBLYXKUNFX-UHFFFAOYSA-N 325.393 4.672 5 40 EJBB Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1 5234669 XZHHLHDJWCKWGE-UHFFFAOYSA-N 340.310 4.555 5 40 EJBB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 276700 UVXXOPIHBYGAAY-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2ccccc2c1 4070147 SCVVWHGMDYTLBI-UHFFFAOYSA-N 349.371 4.610 5 40 EJBB Cc1cccc(-c2n(O)c3c4ccccc4c4ccccc4c3[n+]2[O-])c1 6815979 CXUMIITZPWUFSV-UHFFFAOYSA-N 340.382 4.794 5 40 EJBB Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1 9141702 XYROFVXSYZWPRD-UHFFFAOYSA-N 340.766 4.962 5 40 EJBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccccc3)c3ccccc3n2)c1 521704 QNHCTMQBLHQUKH-UHFFFAOYSA-N 342.358 4.949 5 40 EJBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(OC(F)F)cc3)sc2c1 5130230 XPENFUVDWSXPFY-FPYGCLRLSA-N 348.330 4.976 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1Cl 48050753 GTPXCJPQHZSOGF-MRXNPFEDSA-N 345.786 4.617 5 40 EJBB O=C(NC1CCCCC1)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59843412 FKESZCSETYQURH-UHFFFAOYSA-N 348.786 4.571 5 40 EJBB O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 319859 HMFGHXBGDPNGAI-UHFFFAOYSA-N 347.783 4.591 5 40 EJBB O=[N+]([O-])c1ccc2oc(/C=C/c3ccc(Br)cc3)nc2c1 7717433 UKHVLFWMBHUDKN-FPYGCLRLSA-N 345.152 4.669 5 40 EJBB O=C(Nc1ccc(-c2ccccc2)cc1F)c1ccccc1[N+](=O)[O-] 40074351 HCAJJUXGYRRBCA-UHFFFAOYSA-N 336.322 4.653 5 40 EJBB Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 2698208 JOVVHIFYYRBPOV-ZRDIBKRKSA-N 348.358 4.815 5 40 EJBB CCCCNc1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 8586990 PCACHUXWSJOQCT-UHFFFAOYSA-N 338.367 4.524 5 40 EJBB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4154816 IUSCCXWHYFHYPO-AWEZNQCLSA-N 326.396 4.536 5 40 EJBB O=C(c1ccccc1)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1 4821723 YLWJYIVUFNWQDI-LJQANCHMSA-N 332.359 4.631 5 40 EJBB O=C(Oc1ccc(Cl)cc1)c1ccc2nc3ccccc3nc2c1 408978371 YZYIMBZZPOJSGA-UHFFFAOYSA-N 334.762 4.656 5 40 EJBB O=C(Nc1ccccc1F)Nc1cc2ncccc2c2cccnc12 33663545 ZLAUXFLOLUHOPV-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3ccc(C)cc3[nH]2)o1 85345447 SHKQIIVYIUHODG-UHFFFAOYSA-N 349.346 4.715 5 40 EJBB COc1cc([N+](=O)[O-])ccc1NC(c1ccccc1)c1ccccc1 6320047 OXHRCSSHNJQZHG-UHFFFAOYSA-N 334.375 4.805 5 40 EJBB COc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 1504250340 HKYPYLJCFZYTTD-UHFFFAOYSA-N 349.211 4.693 5 40 EJBB Cc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2C)n1 5331103 VSBUARGUZLRIHS-UHFFFAOYSA-N 349.394 4.797 5 40 EJBB Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 6814159 DWRFLCKTSPRUIS-UHFFFAOYSA-N 339.273 4.566 5 40 EJBB C[N+]1(C)CCC([C@H]2c3ccccc3CSc3sccc32)CC1 347722 KCYLAVGBMJDDRN-SFHVURJKSA-N 330.542 4.972 5 40 EJBB Cc1ccc(C(C)C)c(OC(=O)Cc2cc(Cl)ccc2[N+](=O)[O-])c1 3199873 VPTNTLSGJHERSJ-UHFFFAOYSA-N 347.798 4.828 5 40 EJBB O=[N+]([O-])c1ccc(N(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])c1 169528317 KKTVPHQHDYKTMM-UHFFFAOYSA-N 347.415 4.975 5 40 EJBB O=Cc1cc([N+](=O)[O-])ccc1N(C1CCCCC1)C1CCCCC1 408583008 QVBCJQYHCSDSTR-UHFFFAOYSA-N 330.428 4.879 5 40 EJBB O=C(Nc1ccccc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408721398 GSPOIMWRJIYDNN-UHFFFAOYSA-N 338.370 4.517 5 40 EJBB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1C 33681213 WPDMOHHHPXAESU-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc(C)cc1 5719498 YFDMDHWLIWLCND-HNENSFHCSA-N 339.420 4.686 5 40 EJBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 6527290 LMZPLIKTKRHISJ-AATRIKPKSA-N 337.162 4.554 5 40 EJBB CC(C)(C)c1ccc(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 12644524 LBFZVEUNNBSEOA-MDWZMJQESA-N 339.391 4.649 5 40 EJBB O=[N+]([O-])c1cc(Br)ccc1Oc1ccccc1Cl 72206767 AJHDIDQOTMTNGU-UHFFFAOYSA-N 328.549 4.803 5 40 EJBB O=[N+]([O-])c1ccc(N[C@H]2CCc3cc(Cl)ccc32)c2ncccc12 95369490 QYCOICOFADDKBS-HNNXBMFYSA-N 339.782 4.896 5 40 EJBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3Br)oc12 73642566 SJKKRJFNLUFLGH-UHFFFAOYSA-N 347.168 4.728 5 40 EJBB CC(=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)/C=C/C=C(/C)C(=O)O 255257752 PANKHBYNKQNAHN-MPYGYNLESA-N 328.408 4.609 5 40 EJBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)c1ccccc1 389333 JHUSXEHEXJRWJI-AWEZNQCLSA-N 344.366 4.596 5 40 EJBB biogenic Cc1cc(C(C)(C)C)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 3332674 QDIZCYLLAJOVQB-DHZHZOJOSA-N 339.391 4.820 5 40 EJBB Cc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3)c2[N+](=O)[O-])cc1 5003746 JAONVGNXUYJEDA-UHFFFAOYSA-N 349.394 4.797 5 40 EJBB C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnc2)cc1 5265162 YSDXBEALJYWWDX-LBPRGKRZSA-N 342.786 4.607 5 40 EJBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c2cccnc12 5777611 WUGCIMTWSOPFLP-UHFFFAOYSA-N 339.401 4.904 5 40 EJBB Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1 8990675 CBIWHCYJGYVLSU-UHFFFAOYSA-N 344.805 4.834 5 40 EJBB O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 1388959 GATJHTRAQUAJIF-UHFFFAOYSA-N 349.342 4.744 5 40 EJBB CSC(=S)c1ccc(NSc2ccccc2[N+](=O)[O-])cc1 1559389 ICKMNVGFUQOLDV-UHFFFAOYSA-N 336.463 4.753 5 40 EJBB O=C(Nc1cccc2ccccc12)c1coc2ccc([N+](=O)[O-])cc12 408968301 YBVPMSJKQCEORF-UHFFFAOYSA-N 332.315 4.747 5 40 EJBB CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 8357346 KZVZFMRQRIPKAB-UHFFFAOYSA-N 338.407 4.523 5 40 EJBB CN(c1ccccc1)c1c(Cl)cc([N+](=O)[O-])cc1Br 226316989 HHFSIDVQXSOJAF-UHFFFAOYSA-N 341.592 4.779 5 40 EJBB O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc(Cl)cc1 381315 HYQRZEDKZLWBLD-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB O=[N+]([O-])c1ccc2nc(Nc3nc4ccccc4s3)sc2c1 3850522 RUQCXGRGYAIAMI-UHFFFAOYSA-N 328.378 4.558 5 40 EJBB biogenic O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)cc2)c(Cl)c1 15554097 GGJPTWYCQIKOLM-UHFFFAOYSA-N 331.803 4.982 5 40 EJBB O=[N+]([O-])c1cc(Cl)c(NC2CCCCC2)c(Br)c1 45885884 QFOPZCBMUDOLKY-UHFFFAOYSA-N 333.613 4.755 5 40 EJBB COc1ccc(-c2nnc3sc4c5ccccc5ccc4n23)cc1 1572936 HLIMLOCFQJDVDJ-UHFFFAOYSA-N 331.400 4.773 5 40 EJBB O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccc(Cl)cc1 5257821 KUCGGVUJLSBOJZ-UHFFFAOYSA-N 333.778 4.689 5 40 EJBB O=[N+]([O-])c1cnc(Sc2ccccc2)nc1Sc1ccccc1 5684547 ITVGSQGFKRLSSU-UHFFFAOYSA-N 341.417 4.687 5 40 EJBB O=[N+]([O-])c1ccc(N[C@@H]2CCc3cc(Cl)ccc32)c2ncccc12 95369489 QYCOICOFADDKBS-OAHLLOKOSA-N 339.782 4.896 5 40 EJBB c1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 2667994 FAKYUGOFXPKPJX-UHFFFAOYSA-N 339.398 4.817 5 40 EJBB CC(C)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 4348308 WIRJBRWPSPINNW-UHFFFAOYSA-N 341.392 4.580 5 40 EJBB CC(C)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 30755804 ZVIYQZBKUUZKHM-INIZCTEOSA-N 346.814 4.765 5 40 EJBB O=C(c1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 58482237 UCKRVANJURUNOT-UHFFFAOYSA-N 336.130 4.879 5 40 EJBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccccc1Cl 6660594 IWZZPXOPDKNQPM-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB O=[N+]([O-])/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 33681461 OIUOOCTZOILRQY-AATRIKPKSA-N 342.153 4.959 5 40 EJBB COc1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1OC 39005892 NMMUFXIBAVFQOH-UHFFFAOYSA-N 332.355 4.630 5 40 EJBB O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 76963 KBEUKMLEXDGSBY-UHFFFAOYSA-N 342.358 4.949 5 40 EJBB Cc1c/c(=N\CCNc2ccccc2)c2ccc3ccccc3c2[nH]1 5796824 SEIZLVYTZCMYKC-UHFFFAOYSA-N 327.431 4.642 5 40 EJBB Cc1ccc(C)c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 6510802 BKOJFUYLYFQUPF-UHFFFAOYSA-N 341.392 4.554 5 40 EJBB Cc1nc(-c2ccc([C@H](C)Nc3ncccc3[N+](=O)[O-])cc2)cs1 24828490 LRENLZNGFSSBMF-NSHDSACASA-N 340.408 4.595 5 40 EJBB Cc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C 223401128 YTWZUCPBEXMUPD-CYBMUJFWSA-N 346.814 4.664 5 40 EJBB Cc1cc(-c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)ccc1[N+](=O)[O-] 40169739 MJRCGQPSONWMEH-UHFFFAOYSA-N 336.395 4.653 5 40 EJBB CCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229022 LEXRZAFZZTWBIP-UHFFFAOYSA-N 339.178 4.716 5 40 EJBB Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1C 11566350 ZQQJLZALUPLWNT-UHFFFAOYSA-N 343.382 4.815 5 40 EJBB Cc1ccc(Cl)cc1NC(=O)c1cccc2nc3ccccc3nc12 12277013 SVSJRYFEIFKTDD-UHFFFAOYSA-N 347.805 4.997 5 40 EJBB Clc1ccc(-c2csc3nc4nc5ccccc5c-4nn23)cc1 27019081 NDLITQVWXBWNOO-UHFFFAOYSA-N 336.807 4.764 5 40 EJBB Cc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 258365 YQYPCKXZUCMYLV-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 6925815 ONCPJBTXWNRJBG-UHFFFAOYSA-N 344.129 4.685 5 40 EJBB CCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 44900324 YBHVRNLHVOVYLN-UHFFFAOYSA-N 336.800 4.613 5 40 EJBB Cc1ccc(C)c(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 89262427 CDUAZVCKLPKFIS-UHFFFAOYSA-N 329.743 4.582 5 40 EJBB C[C@H]1Cc2ccccc2N1Cc1cc(=O)oc2ccc3ccccc3c12 3390324 IGPDPYZBYVXJGX-HNNXBMFYSA-N 341.410 4.897 5 40 EJBB Cc1ccc([C@H](Nc2ccc([N+](=O)[O-])cn2)c2cccs2)cc1 12886169 YXSLVDLOSQOOMB-KRWDZBQOSA-N 325.393 4.561 5 40 EJBB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1[N+](=O)[O-] 14258377 TYBODDXUTOUQOG-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB C[C@@H]1CCC[C@@H](C)N1c1c(Cl)cc([N+](=O)[O-])cc1Br 226316618 CUPSDOGDPQWKAO-RKDXNWHRSA-N 347.640 4.778 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc3ccccc3nc2s1 223131900 RBQOWYZZNFWRMT-UHFFFAOYSA-N 349.371 4.610 5 40 EJBB Cc1ccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)cc1 5928660 JJRPOQMKZSKPAZ-UHFFFAOYSA-N 345.423 4.975 5 40 EJBB Cc1ccc(Cl)cc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 197467444 LBFYWILXCBZWIV-UHFFFAOYSA-N 330.727 4.555 5 40 EJBB CCOP(=O)(Nc1cccc2oc(=O)c3ccccc3c12)OCC 1692038 NYTAYVMWACUNGD-UHFFFAOYSA-N 347.307 4.539 5 40 EJBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 3617021 KTFDLQZHTIIAIW-UHFFFAOYSA-N 346.342 4.675 5 40 EJBB CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1C 217873617 QFAXVDBYSRXSLP-MRXNPFEDSA-N 346.814 4.746 5 40 EJBB O=C1CC[C@H](c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800389 GCGQYSDXKQVRTK-DZGCQCFKSA-N 329.783 4.869 5 40 EJBB Cc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1[N+](=O)[O-] 290827 CYOGMFQEHZJRFC-UHFFFAOYSA-N 344.370 4.727 5 40 EJBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4ccccc4s3)sc2c1 57352474 YIQHLAPODRKWOU-UHFFFAOYSA-N 342.405 4.866 5 40 EJBB O=C(CCC1CCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 997997 MPZZODWZIANCMW-UHFFFAOYSA-N 345.424 4.627 5 40 EJBB Cc1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1C 96582903 IDQFJENKONJCPO-UHFFFAOYSA-N 327.387 4.652 5 40 EJBB CC[N+]1(C)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 520946 OUFBUYWQNZNBRN-UHFFFAOYSA-N 338.496 4.549 5 40 EJBB O=C(Nc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 6331189 WMQHMMNJGYMHKM-UHFFFAOYSA-N 326.139 4.546 5 40 EJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 32212177 OXUGUIJDVYONNX-UHFFFAOYSA-N 339.178 4.771 5 40 EJBB Cc1cc(OCc2ccccc2F)cc2oc(=O)c3ccccc3c12 3892455 YFPRYAWDXRCPPW-UHFFFAOYSA-N 334.346 4.973 5 40 EJBB Cc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1 193286 AMYRMROHYTXULV-UHFFFAOYSA-N 329.355 4.507 5 40 EJBB O=C(Oc1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 68140 MCKJVLDNOWRHHT-UHFFFAOYSA-N 327.723 4.621 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 4534562 TVPSUVVLKOFAJS-CJSKEXKKSA-N 340.423 4.862 5 40 EJBB C[C@H]([C@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1 2159486 TXHDLAJCZMAFEG-KOSHJBKYSA-N 344.478 4.936 5 40 EJBB CCCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 33718745 NXCQCBAKSPCUNC-CSKARUKUSA-N 346.383 4.639 5 40 EJBB Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1[N+](=O)[O-] 48253588 CKMNYULHJXZDOT-UHFFFAOYSA-N 347.374 4.581 5 40 EJBB Cc1sc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(F)cc1F 58356528 WEWQRLNIIVIABV-UHFFFAOYSA-N 332.331 4.972 5 40 EJBB O[C@H](Cc1c2ccccc2nc2ccccc12)C(Cl)(Cl)Cl 5338578 WHMGVUAXBDNPSN-OAHLLOKOSA-N 340.637 4.662 5 40 EJBB O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC(Cl)(Cl)Cl 95215488 DBJOGPUGRXTMPY-UHFFFAOYSA-N 325.362 4.608 5 40 EJBB O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1 191154 RHBJFFVBPSRDNO-UHFFFAOYSA-N 327.343 4.872 5 40 EJBB CN1c2ccccc2N=Cc2c1oc1ccc3ccccc3c1c2=O 1584731 BNLZNLCEDWXLGQ-UHFFFAOYSA-N 326.355 4.778 5 40 EJBB O=[N+]([O-])c1cc(NCc2coc(-c3cccs3)n2)ccc1Cl 24923821 RNYNLGVWSROAHF-UHFFFAOYSA-N 335.772 4.577 5 40 EJBB COc1ccc2c(c1)[nH]c1c(/C=C\c3ccc([N+](=O)[O-])cc3)nccc12 5487499 RACKRQSOLIUNNO-WTKPLQERSA-N 345.358 4.803 5 40 EJBB CCOc1cc([N+](=O)[O-])c(OCC)cc1Sc1ccc(C)cc1 2572133 JRKVBFFPQZNRRC-UHFFFAOYSA-N 333.409 4.852 5 40 EJBB COc1ccccc1Oc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 351318 NVRXEINRNKFBIZ-UHFFFAOYSA-N 349.342 4.627 5 40 EJBB O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1 4758431 FETZEIYXNALZIL-OAQYLSRUSA-N 343.386 4.951 5 40 EJBB O=[N+]([O-])c1ccc(/C=C(\Cl)c2nnc(-c3ccc(F)cc3)o2)cc1 6535559 SJAPRXBLZURDLG-ZROIWOOFSA-N 345.717 4.521 5 40 EJBB Cc1ccc(C(C)C)c(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 1464874 JUAMTQLZYOGTKP-YRNVUSSQSA-N 325.364 4.645 5 40 EJBB O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 7159306 GLVPHEOBWYHTNM-UHFFFAOYSA-N 334.331 4.639 5 40 EJBB Clc1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1 383328 JVJBZWQZYWPSPS-UHFFFAOYSA-N 336.807 4.764 5 40 EJBB O=[N+]([O-])c1ccc(-c2cc3c(n2Cc2ccccc2)CCCC3)cc1 95951733 FUKWKGPEWVYYIL-UHFFFAOYSA-N 332.403 4.990 5 40 EJBB CCc1cc2c(=O)c3c(cn4c5ccccc5ccc34)oc2cc1OC 126563 WAZAXFWUXZRLBC-UHFFFAOYSA-N 343.382 4.923 5 40 EJBB CCc1cc(C)c(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)o1 96002177 NWKLDQYRJVGWGS-UHFFFAOYSA-N 347.370 4.662 5 40 EJBB CC(C)c1ccccc1O[C@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 76555405 YGBPOIANZICHSA-GFCCVEGCSA-N 325.368 4.735 5 40 EJBB O=C(Oc1ccc2cc(Cl)ccc2c1)c1ccc([N+](=O)[O-])cc1 3844821 HHVKSLQLKIODSI-UHFFFAOYSA-N 327.723 4.621 5 40 EJBB biogenic O=[N+]([O-])c1cccc(Br)c1OCc1ccccc1Cl 36719648 XTTBWZMAOXBKLP-UHFFFAOYSA-N 342.576 4.590 5 40 EJBB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1[N+](=O)[O-] 59294550 UMTRVORUUJWVMV-ACCUITESSA-N 348.358 4.815 5 40 EJBB CC(=O)Nc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1 255189901 SWDHUEZKMYYGEB-UHFFFAOYSA-N 341.150 4.652 5 40 EJBB O[C@@H](Cc1c2ccccc2nc2ccccc12)C(Cl)(Cl)Cl 5338577 WHMGVUAXBDNPSN-HNNXBMFYSA-N 340.637 4.662 5 40 EJBB O=[N+]([O-])c1ccc(Nc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 5391018 GDFFMQWMZCXBNT-UHFFFAOYSA-N 335.319 4.914 5 40 EJBB O=[N+]([O-])c1ccc2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352642 MCEPRHYWWREQAG-UHFFFAOYSA-N 346.755 4.743 5 40 EJBB Fc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1 408977276 VDIIEJVJAAPNAO-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 3302548 WLFKACXDAYDIGJ-UHFFFAOYSA-N 333.343 4.619 5 40 EJBB O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@@H]1c1nc2ccccc2o1 89874881 ZBWAGCGKRFXUPS-OAHLLOKOSA-N 341.342 4.607 5 40 EJBB O=C(/C=C/c1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 4523859 QSCZBWMNTPXUOW-DHZHZOJOSA-N 336.322 4.539 5 40 EJBB O=C(Nc1cccc(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O 12062406 GAPOMRZAIJIKIH-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB O=C(c1ccccc1)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 336647 GDGPQASFAYACBX-UHFFFAOYSA-N 337.306 4.757 5 40 EJBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc([N+](=O)[O-])cc1 1518396 MBZZTABONQATFW-UHFFFAOYSA-N 349.371 4.610 5 40 EJBB CCc1ccccc1NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 5939843 NEINIBXMPFHXCV-UHFFFAOYSA-N 335.816 4.620 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2c2cccnc12 58189764 KQYBJLLZOOVNGS-UHFFFAOYSA-N 343.342 4.549 5 40 EJBB Cc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1 408978122 YECSVRTUPAFHBH-UHFFFAOYSA-N 344.443 4.900 5 40 EJBB CCC[C@@H](O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1 1727670 ZJVIXFCBKNAXJS-NEPJUHHUSA-N 340.634 4.560 5 40 EJBB O=[N+]([O-])c1cccnc1N[C@@H](c1ccccc1)c1ccc(Cl)cc1 22815736 PPMBXGUQUPSYME-KRWDZBQOSA-N 339.782 4.845 5 40 EJBB Cc1ccc([N+](=O)[O-])c(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1738967 IUBUWBXEOMDZCG-UHFFFAOYSA-N 341.150 4.821 5 40 EJBB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1 3288878 ZUHUSUMANDMKHD-UHFFFAOYSA-N 333.299 4.713 5 40 EJBB O=[N+]([O-])c1ccccc1N1CCC(c2nc3ccccc3s2)CC1 6250370 SZHDUMXXADWVGX-UHFFFAOYSA-N 339.420 4.589 5 40 EJBB CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 20537116 BIWORVAOGCYXQS-OAHLLOKOSA-N 333.775 4.521 5 40 EJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(OC(C)C)c1 72228676 BGTHSSHAZXQRRT-UHFFFAOYSA-N 342.395 4.505 5 40 EJBB CC(C)(C)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 971223 XETDGYHHXKDMIM-UHFFFAOYSA-N 333.771 4.765 5 40 EJBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(Cl)nc1 6607788 PGVUZNKVZOGPDN-UHFFFAOYSA-N 348.789 4.793 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 4792145 DIRVWEVJWFMTCC-UHFFFAOYSA-N 336.303 4.962 5 40 EJBB Cc1c(NC(=O)CCc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 10332667 YICYZAJJUFBFHF-UHFFFAOYSA-N 326.396 4.598 5 40 EJBB O=c1[nH]c2nc(C(F)(F)F)cc(-c3cccs3)c2c2ccccc12 12610350 SBTQBEHIOOZRCH-UHFFFAOYSA-N 346.333 4.824 5 40 EJBB O=[N+]([O-])c1cccc(CN2CCC[C@H]2c2nc3ccccc3s2)c1 15452137 CEGQFJXZJQMEGP-INIZCTEOSA-N 339.420 4.542 5 40 EJBB Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)cc1 5330815 IXXPRONZBJMRAD-UHFFFAOYSA-N 349.394 4.797 5 40 EJBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(Cl)c1 9141749 QDDRDEIOAXOXSI-UHFFFAOYSA-N 339.178 4.771 5 40 EJBB O=[N+]([O-])c1cccnc1NCc1ccc(-c2ccc(Cl)cc2)o1 20669384 JYBQRFFDODZSRU-UHFFFAOYSA-N 329.743 4.515 5 40 EJBB O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c2ccncc12 3451459 IYSTVVCDSOPPIT-UHFFFAOYSA-N 345.152 4.698 5 40 EJBB CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 7037010 YUZNQUNYDVGYKU-QGZVFWFLSA-N 346.814 4.765 5 40 EJBB CCc1ccc2oc(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 57352637 XNKADEFIQYBKJE-UHFFFAOYSA-N 340.364 4.652 5 40 EJBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)c(C)c1 218121110 BOFOJKHRPYICRS-QGZVFWFLSA-N 346.814 4.746 5 40 EJBB O=Cc1ccc(N(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])c1 408582263 MPLPGFLVFAAWOT-UHFFFAOYSA-N 330.428 4.879 5 40 EJBB O=[N+]([O-])c1ccc(COc2ccc(OCc3ccccc3)cc2)cc1 225870 RLNOVFPFKWIXID-UHFFFAOYSA-N 335.359 4.753 5 40 EJBB Cc1nc2ccccc2c2c(NC(=O)c3ccco3)c3ccccc3n12 12597864 FCZABHBXIGGINO-UHFFFAOYSA-N 341.370 4.794 5 40 EJBB Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4746531 BJUSDWZLQOCCEG-UHFFFAOYSA-N 339.178 4.771 5 40 EJBB C[C@H]1CC(C)(C)C[C@@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)[C@@H]1C 20569300 WZCPBHQNGPQOEP-OUCADQQQSA-N 344.411 4.574 5 40 EJBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)c1 409188878 HCNQKBIIMYYTTA-FHLIZLRMSA-N 344.798 4.883 5 40 EJBB O=C(NCCC1=CCCCC1)Nc1cc2cccnc2c2ncccc12 6423064 RXLFPURWBNNUAB-UHFFFAOYSA-N 346.434 4.795 5 40 EJBB CC(C)c1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1 20898131 VXWUVFAJLUNQSJ-UHFFFAOYSA-N 330.388 4.513 5 40 EJBB Cc1ccc(-c2nc(COc3cc([N+](=O)[O-])ccc3C)cs2)o1 40127967 GAJDBMYQFZVMOF-UHFFFAOYSA-N 330.365 4.507 5 40 EJBB Cc1c(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] 89540482 HFVOYRBHRXSRME-GOSISDBHSA-N 330.815 4.798 5 40 EJBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3)cc2)c1 301135409 MZPCOVLVNYZTLZ-UHFFFAOYSA-N 334.375 4.786 5 40 EJBB CC[C@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 538358 UONXWKOCJOPFNF-LBPRGKRZSA-N 347.378 4.526 5 40 EJBB CC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 225208455 TYXHUZCOKIXURB-UHFFFAOYSA-N 325.151 4.848 5 40 EJBB COC(=O)[C@H](C)CC(=O)c1ccc2ccc3cccc4ccc1c2c34 1661413 UDYRPNZXRAMBGR-CYBMUJFWSA-N 330.383 4.966 5 40 EJBB CC1(C)O[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 105054 ZJQCDTKQSKRTAD-LJQANCHMSA-N 349.390 4.762 5 40 EJBB O=C(NCCC1=CCCCC1)Nc1cc2ccncc2c2ncccc12 408977552 WQLWGJHPVQVFOD-UHFFFAOYSA-N 346.434 4.795 5 40 EJBB CC(C)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 20041919 HJRAJHKUDWNELH-QHSLDKKCSA-N 338.407 4.512 5 40 EJBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccccc2)c1 381141281 RTQAAOVSFVNQCC-UHFFFAOYSA-N 334.375 4.786 5 40 EJBB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 4438563 XBQDIOSLZPXNOO-UHFFFAOYSA-N 346.386 4.756 5 40 EJBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1[N+](=O)[O-] 16385468 ZGBOKIIAZHXWEE-UHFFFAOYSA-N 344.129 4.685 5 40 EJBB CCO/C(=C\c1c2ccccc2cc2ccccc12)c1n[nH]c(=N)s1 408718547 XCCVHUWEEZIQCX-PDGQHHTCSA-N 347.443 4.792 5 40 EJBB CCOC(=O)c1ccc(/C(Cl)=C/c2ccccc2)c([N+](=O)[O-])c1 3845119 FMZUSKHWOVGXGM-GDNBJRDFSA-N 331.755 4.508 5 40 EJBB CC(C)(C)Sc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1 92609 GMKJUWLVKHACHS-UHFFFAOYSA-N 330.409 4.738 5 40 EJBB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] 12917830 VBKZGDVKLHICIQ-UHFFFAOYSA-N 347.374 4.526 5 40 EJBB Cc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1 408975583 NLRBPBGPIRFPSZ-UHFFFAOYSA-N 344.443 4.900 5 40 EJBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21 55116 QKYKXKAMPIBNOJ-UHFFFAOYSA-N 344.370 4.672 5 40 EJBB CCCCOP(=O)(OCCCC)Oc1cccc([N+](=O)[O-])c1 1732726 QDLDODXSBVDDJI-UHFFFAOYSA-N 331.305 4.715 5 40 EJBB O=C(c1ccc(F)cc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 5519246 FJMDONBKDUZXDS-UHFFFAOYSA-N 336.322 4.712 5 40 EJBB CC(C)N(C(=S)Nc1cc2ccncc2c2ncccc12)C(C)C 33724904 KOPLDNAADXHOOS-UHFFFAOYSA-N 338.480 4.599 5 40 EJBB Cc1ccc(OCC(=O)Nc2ccnc3c2ccc2ccccc23)cc1 40384349 KQIRMJXVTHWPKM-UHFFFAOYSA-N 342.398 4.714 5 40 EJBB Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)cc1 4763207 LXVQZPAOAAXTQS-UHFFFAOYSA-N 328.371 4.626 5 40 EJBB Cc1ccc(C)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 276695 PFWXQKMFWCZZKG-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)Nc2ccc(Cl)cc2)c1 13811980 LFULMHNRNUEMBK-UHFFFAOYSA-N 342.207 4.711 5 40 EJBB Fc1ccccc1NC(=S)Nc1cc2cccnc2c2ncccc12 409317830 WEWGLQPYZPEXNN-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 149953 AUQYCOQTHNMVJU-UHFFFAOYSA-N 326.139 4.546 5 40 EJBB CC(C)N(C(=S)Nc1cc2ncccc2c2cccnc12)C(C)C 6159764 XSLSHDWOPOSVAG-UHFFFAOYSA-N 338.480 4.599 5 40 EJBB Cc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C 89262429 JPVZTVHNZAYARE-UHFFFAOYSA-N 329.743 4.582 5 40 EJBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2)o1 273936 VIUMSGOHJAGSFZ-UHFFFAOYSA-N 340.338 4.663 5 40 EJBB Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1C 5804762 UBUYUQDCYKYGHR-UHFFFAOYSA-N 341.392 4.554 5 40 EJBB O=C(Nc1ccccc1Cl)c1cccc2nc3ccccc3nc12 9910310 JVOQQWSFYVWPAH-UHFFFAOYSA-N 333.778 4.689 5 40 EJBB COc1ccccc1C(=O)Nc1cc(C)nc2c1ccc1ccccc12 40384425 ITEMVLHPIKJYHX-UHFFFAOYSA-N 342.398 4.957 5 40 EJBB COC(=O)[C@@H](C)CC(=O)c1ccc2ccc3cccc4ccc1c2c34 2048571 UDYRPNZXRAMBGR-ZDUSSCGKSA-N 330.383 4.966 5 40 EJBB S=C(NCc1ccccc1)Nc1ccc2cc3ccccc3nc2c1 409189015 HDLUUGRJTLPZLX-UHFFFAOYSA-N 343.455 4.875 5 40 EJBB Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 10111779 ICCYSBSHQONVBW-AWEZNQCLSA-N 340.423 4.692 5 40 EJBB O=[N+]([O-])c1cc(NCc2ncc(-c3cccc(Cl)c3)o2)ccc1F 46577764 UPTHMCCZNJXOAR-UHFFFAOYSA-N 347.733 4.654 5 40 EJBB O=[N+]([O-])c1ccc(N2CCC[C@H]2CCc2ccccc2)c2ccncc12 108091627 SUXYKJQRZDYBHM-KRWDZBQOSA-N 347.418 4.745 5 40 EJBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 9745466 ZUYDFERMJXOMPJ-NSHDSACASA-N 346.337 4.555 5 40 EJBB Cc1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 19164627 UEVRBLXFXQKHFN-UHFFFAOYSA-N 346.386 4.751 5 40 EJBB CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@]312 4834662 LMVAMOSFKOFKNX-SFTDATJTSA-N 348.402 4.659 5 40 EJBB C=Cc1ccc(COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 6905144 LEMGDXVLBAMAFN-UHFFFAOYSA-N 344.366 4.874 5 40 EJBB biogenic O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] 59477503 ZQEUYTLORICPIS-ACCUITESSA-N 334.331 4.507 5 40 EJBB O=[N+]([O-])c1cccc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1 524352 KBBPPCOGPLZIGU-UHFFFAOYSA-N 348.406 4.585 5 40 EJBB Cc1sc2ncnc(Oc3ccc([N+](=O)[O-])cc3Cl)c2c1C 3299967 FQJDNOOTBKFXQQ-UHFFFAOYSA-N 335.772 4.662 5 40 EJBB O=C(c1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O 1567137 WGCXSENKCBICRU-UHFFFAOYSA-N 334.758 4.831 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1Cl 48050752 GTPXCJPQHZSOGF-INIZCTEOSA-N 345.786 4.617 5 40 EJBB Cc1cc(OC(=O)c2ccccc2)cc2c(=O)c3ccccc3sc12 4825620 TWCUGAYMYKCPQM-UHFFFAOYSA-N 346.407 4.942 5 40 EJBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2cccs2)c(F)c1 32923375 HEXPPSVZGQSSRJ-KRWDZBQOSA-N 328.368 4.997 5 40 EJBB O=C(c1cccs1)N(c1ccccc1[N+](=O)[O-])C1CCCCC1 59488861 ALLHYIHYACQJCX-UHFFFAOYSA-N 330.409 4.636 5 40 EJBB Cc1noc(/C=C\c2ccc(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-] 33453009 ONKRVSHGMGBFGK-CLFYSBASSA-N 330.727 4.975 5 40 EJBB O=C(Nc1ccc2ccccc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 7654091 DDHMVCXMFNFEPV-UHFFFAOYSA-N 347.374 4.575 5 40 EJBB O=c1c2ccccc2oc2cc(OC/C=C/c3ccccc3)cc(O)c12 8516108 KXJYFKGWYXKESA-RMKNXTFCSA-N 344.366 4.744 5 40 EJBB biogenic O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 409171625 BHBLJGPEEWILTB-UHFFFAOYSA-N 349.342 4.744 5 40 EJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc2ccccc12 72228641 HAGQRTZATVUAQP-UHFFFAOYSA-N 334.375 4.871 5 40 EJBB O=c1oc2ccc3ccccc3c2cc1-c1cn2cc(Cl)ccc2n1 348951 QFTANBPOOSRFRC-UHFFFAOYSA-N 346.773 4.914 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 510197 XZSJBULSIPKHID-UHFFFAOYSA-N 343.342 4.997 5 40 EJBB Cc1[nH]c2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2c1C 64942498 XGPGPBRMHCSFDU-UHFFFAOYSA-N 346.390 4.853 5 40 EJBB CC(=O)c1c(C)cc(C)c(CNc2cccc([N+](=O)[O-])c2C)c1C 36619766 KOAWSYBXFWUYIP-UHFFFAOYSA-N 326.396 4.643 5 40 EJBB CCN(CC)c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1703872 UOGXSIYIGMBCST-UHFFFAOYSA-N 347.396 4.500 5 40 EJBB C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 2648342 HZSIHOXGCHSICV-CYBMUJFWSA-N 326.396 4.635 5 40 EJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl 3273409 SSJRKJWCAFRUDA-UHFFFAOYSA-N 347.779 4.820 5 40 EJBB Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)cccc1[N+](=O)[O-] 6902230 SQPMHJFTABWTCL-UHFFFAOYSA-N 346.386 4.746 5 40 EJBB Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 8199831 NOTJUUITXURPGS-UHFFFAOYSA-N 347.783 4.758 5 40 EJBB CC/N=c1/cc2oc3cc(NCC)c(C)cc3nc-2c2ccccc12 100085417 UIFOTNODQJSLTF-QJOMJCCJSA-N 331.419 4.747 5 40 EJBB Cc1c(Br)cccc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 226248302 KCJHZZUDSYZKKI-UHFFFAOYSA-N 347.168 4.782 5 40 EJBB O=C(Sc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc2ccccc2c1 409392877 SSKIEUXQJVFPIZ-UHFFFAOYSA-N 349.371 4.557 5 40 EJBB O=[N+]([O-])c1ccc(OCc2cc(-c3cccs3)on2)c(Cl)c1 7823201 BVEGOHHNHRFVLY-UHFFFAOYSA-N 336.756 4.544 5 40 EJBB O=C(Nc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl 281993 RJHITURAYCXCGY-UHFFFAOYSA-N 326.739 4.654 5 40 EJBB Cc1ccc(OCc2csc(-c3ccc(C)o3)n2)c([N+](=O)[O-])c1 32328400 UFVNCYUXNPIGMN-UHFFFAOYSA-N 330.365 4.507 5 40 EJBB CC(C)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10335061 GLRJRJQOVSFDLQ-UHFFFAOYSA-N 346.814 4.943 5 40 EJBB O=[N+]([O-])c1cc(F)c(Br)cc1SCc1ccccc1 98095419 WFSOYCQKGCBLCD-UHFFFAOYSA-N 342.189 4.789 5 40 EJBB Cc1ccc2cc(COc3ccc([N+](=O)[O-])c(C)c3)c(Cl)nc2c1 15545353 BONDIMJLQXNPJE-UHFFFAOYSA-N 342.782 4.992 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(Cl)cc2s1 3241831 BONOOMCFAXRKGL-UHFFFAOYSA-N 348.771 4.502 5 40 EJBB CC[C@@H](C)c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 3291955 NKUCHQUKGJLFPD-CYBMUJFWSA-N 337.375 4.576 5 40 EJBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 335633 MGHTUJPKGWBXFZ-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB Cc1cc(OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1[N+](=O)[O-] 10320458 GYMNYGAXTQKIIA-UHFFFAOYSA-N 344.754 4.791 5 40 EJBB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 16347884 PCMXEPAZVVCBEV-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1598596 KSIOWVBLXOVHSC-UHFFFAOYSA-N 346.553 4.774 5 40 EJBB C[C@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2ccccc12 5357451 GUUUZBAEQWWJRV-MRXNPFEDSA-N 340.426 4.749 5 40 EJBB COc1c(Cl)cc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Cl 216735299 WUEQZXXRTVDZQZ-UHFFFAOYSA-N 339.134 4.718 5 40 EJBB Cc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1[N+](=O)[O-] 6997216 ONASTDVSXKBAMS-UHFFFAOYSA-N 332.359 4.823 5 40 EJBB O=[N+]([O-])c1cccc(CNc2ccc(Br)c(Cl)c2)c1 218011587 UGNCHZUTZIUPPT-UHFFFAOYSA-N 341.592 4.623 5 40 EJBB Cc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1 408975530 MNKITMGTLLMADQ-UHFFFAOYSA-N 344.443 4.900 5 40 EJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccccc2)cc1 5512557 WYXUOCCPVMRVFA-UHFFFAOYSA-N 348.358 4.523 5 40 EJBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1cc3ccccc3cc1O2 16545893 VNNBIAMLMNUTLN-UHFFFAOYSA-N 334.287 4.932 5 40 EJBB Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 89262456 VVDSIPXXQUMNBX-UHFFFAOYSA-N 329.743 4.582 5 40 EJBB Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1 5033349 HGTYJUAUQXBEED-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB O=C(/C=C/c1ccco1)OCc1nc2ccccc2c2ccccc12 6607785 WPTYGWGENZGPRT-VAWYXSNFSA-N 329.355 4.738 5 40 EJBB C[C@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 25158229 OYISQWIGECEWSC-OAHLLOKOSA-N 336.391 4.576 5 40 EJBB O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)cs1 64249710 RHFABOQKNRUPDE-CQSZACIVSA-N 336.844 4.517 5 40 EJBB Nc1ccc(C(=O)OCc2c3ccccc3cc3ccccc23)cc1 216869835 GSUPJBLLJUZKBT-UHFFFAOYSA-N 327.383 4.932 5 40 EJBB O=C(Nc1ccccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 276701 OWVRHAFDFNWQBW-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 4534563 TVPSUVVLKOFAJS-UFBKQNNJSA-N 340.423 4.862 5 40 EJBB Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 36620939 HPIPIYPDQDYOLK-SFHVURJKSA-N 339.395 4.581 5 40 EJBB Cc1ccc(C(=O)N(c2ccccc2)c2ccccc2[N+](=O)[O-])cc1 5750709 MCEVFBSFMOHXFG-UHFFFAOYSA-N 332.359 4.882 5 40 EJBB O=C(CCc1ccccc1)Nc1ccc2c(=O)c3ccccc3oc2c1 6661030 LRHQMQOYHTYFOW-UHFFFAOYSA-N 343.382 4.518 5 40 EJBB C[C@H](Oc1cccnc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl 66352141 VGDOUCIQKWTGJY-ZETCQYMHSA-N 331.130 4.576 5 40 EJBB O=[N+]([O-])c1ccc(SCc2ccco2)c(C2SCCS2)c1 31490 ZQDDBEZUJQFMTF-UHFFFAOYSA-N 339.463 4.959 5 40 EJBB Cc1c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 13675006 WZOURLVHCJENBS-AWEZNQCLSA-N 340.423 4.692 5 40 EJBB Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1 89262454 QYQNOUOISNGTRX-UHFFFAOYSA-N 329.743 4.582 5 40 EJBB Cc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2123083 LBQJNQVGWOVVEX-UHFFFAOYSA-N 343.382 4.611 5 40 EJBB biogenic O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1cccc(F)c1 8040524 LQDFEIMOBVTONR-UHFFFAOYSA-N 347.349 4.799 5 40 EJBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Oc1ccc(-c2ccccc2)cc1 3360499 HDMIHUOBDLGNGJ-NTCAYCPXSA-N 345.354 4.881 5 40 EJBB Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)c(C)c1 5257500 RQCGHQUTJMMHDL-UHFFFAOYSA-N 327.387 4.652 5 40 EJBB CCOc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)cc1 89991106 BAKLKIFORUTKPX-KRWDZBQOSA-N 346.814 4.988 5 40 EJBB Cc1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1 408974289 DVFZQOUYRTXRDP-UHFFFAOYSA-N 328.375 4.735 5 40 EJBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccc(Cl)cc1 6660810 HHCSFVLECZGPRT-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl 9141729 CYHDNDOQRZLANR-UHFFFAOYSA-N 339.178 4.771 5 40 EJBB C[N+](C)(C)C1(Cc2ccc(F)cc2)c2ccccc2-c2ccccc21 1729978 XHQXVMLLAOMCDP-UHFFFAOYSA-N 332.442 4.999 5 40 EJBB O=C(CNc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])cc1 3617083 LYVYASURIXFJKZ-UHFFFAOYSA-N 346.342 4.789 5 40 EJBB O=[N+]([O-])c1cc(Cl)ccc1OCc1cc(F)cc2cccnc12 31609002 IOWCTTBBAOTZBN-UHFFFAOYSA-N 332.718 4.515 5 40 EJBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 977192 VCXMBIHSCGPENR-FFSVYQOJSA-N 339.819 4.866 5 40 EJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 164314 ZTOCVYYENCEVHO-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB C[C@H](C(=O)Nc1ccccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 2648341 HZSIHOXGCHSICV-ZDUSSCGKSA-N 326.396 4.635 5 40 EJBB Cc1nn(-c2cccc(Cl)c2)c(C)c1-c1cccc([N+](=O)[O-])c1 278949 CZQVGOUPLOGMGU-UHFFFAOYSA-N 327.771 4.718 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])c1sc2ccccc2c1Cl 4473807 LMHRXJUIZNTCCD-UHFFFAOYSA-N 332.768 4.715 5 40 EJBB O=[N+]([O-])c1ccc(CSc2ncnc3c2oc2ccccc23)cc1 4106818 BTCLJMKTFGTENM-UHFFFAOYSA-N 337.360 4.577 5 40 EJBB O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(OC(F)F)cc3)nc12 5155769 BDXOVHJWLRTAGW-XBXARRHUSA-N 342.301 4.915 5 40 EJBB O=[N+]([O-])c1ccc2nc(SCc3cccc4ccccc34)[nH]c2c1 409390238 CDDNQWIIFHVMHF-UHFFFAOYSA-N 335.388 4.917 5 40 EJBB COc1c(Cl)cc(Cl)cc1-c1nc2ccc([N+](=O)[O-])cc2o1 216730801 KPKIWNOGFAHMEL-UHFFFAOYSA-N 339.134 4.718 5 40 EJBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccc([N+](=O)[O-])c1 567818 WJLQOLFEICIPFL-UHFFFAOYSA-N 349.371 4.610 5 40 EJBB CCCCc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 408967930 VUMJTVLFLNQGOI-UHFFFAOYSA-N 338.363 4.936 5 40 EJBB O=C(Oc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 3300257 CJISAHDXONDFJM-UHFFFAOYSA-N 327.723 4.621 5 40 EJBB CNc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1[N+](=O)[O-] 5935476 PUCKAWAVCSDFHX-XVNBXDOJSA-N 329.743 4.602 5 40 EJBB CCOc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)cc1 89991107 BAKLKIFORUTKPX-QGZVFWFLSA-N 346.814 4.988 5 40 EJBB O=[N+]([O-])c1ccc(C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1 1686033 SVORWJALIHGFJK-VQTJNVASSA-N 344.370 4.854 5 40 EJBB Cc1cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)ccc1Br 226239785 GQHGUTUWZYYTBV-UHFFFAOYSA-N 347.168 4.782 5 40 EJBB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1 2648356 YJHLPIYOMFQSHP-SECBINFHSA-N 339.178 4.644 5 40 EJBB CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 5379948 IMSFYUHPZZLDJM-UHFFFAOYSA-N 332.787 4.798 5 40 EJBB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 223400986 BCZNELJBGSYFIO-CYBMUJFWSA-N 346.814 4.664 5 40 EJBB Cc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 193168 JMPLZEPBXJXFIB-UHFFFAOYSA-N 329.355 4.507 5 40 EJBB Cc1c(Cl)cccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 408964512 CWDILGAWNYGHIT-UHFFFAOYSA-N 330.727 4.555 5 40 EJBB O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)nc1 5594131 XEKOLQDJUMNOGB-UHFFFAOYSA-N 333.372 4.842 5 40 EJBB O=[N+]([O-])c1cccc(Br)c1OCc1cccc(Cl)c1 36719649 WVSVZEXBCVDGRP-UHFFFAOYSA-N 342.576 4.590 5 40 EJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 4599426 WTMDAKDKDMZWLU-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@]312 4834663 LMVAMOSFKOFKNX-RTWAWAEBSA-N 348.402 4.659 5 40 EJBB Cc1cc(C)c2oc(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 57352630 RFCNIJCGILSNMC-UHFFFAOYSA-N 340.364 4.706 5 40 EJBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 3897726 VCXMBIHSCGPENR-NORZTCDRSA-N 339.819 4.866 5 40 EJBB COc1ccc(N=c2c3ccccc3oc3ccccc23)c([N+](=O)[O-])c1 4199573 ZHJMTSKRBQGJJG-UHFFFAOYSA-N 346.342 4.735 5 40 EJBB O=[N+]([O-])c1cc(Cl)cc(/C=C/c2ccccc2OC(F)F)c1O 67321436 ITDCGQBMPHYWGS-AATRIKPKSA-N 341.697 4.726 5 40 EJBB COc1ccccc1COc1cc(C)c2c(c1)oc(=O)c1ccccc12 488453 MOUZZKSALSLSJP-UHFFFAOYSA-N 346.382 4.842 5 40 EJBB biogenic O=C1NC(c2ccccc2)=N/C1=C\c1c2ccccc2cc2ccccc12 4615711 FUWHOMPGAQRJFD-JCMHNJIXSA-N 348.405 4.911 5 40 EJBB Cc1cccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)c1 5364551 NGXNPRBPEIUVIF-UHFFFAOYSA-N 349.394 4.513 5 40 EJBB O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)cs1 54152783 ZNWKWILJGGWHAQ-CYBMUJFWSA-N 345.449 4.603 5 40 EJBB Cc1[nH]ncc1-c1cc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 53999188 SZJILVYFACGUPH-UHFFFAOYSA-N 330.347 4.509 5 40 EJBB COc1ccc2c(c1)c(=O)oc1c(C)c3oc4c(c3cc12)CCCC4 488790 MBWKBVWXWFPSMK-UHFFFAOYSA-N 334.371 4.888 5 40 EJBB biogenic Cc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C 6207529 ZCELFIZMSFQPDP-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 44085340 BPZGEXWNSCEJFH-UHFFFAOYSA-N 325.393 4.560 5 40 EJBB O=c1cc(CSc2nccn2C2CC2)c2c(ccc3ccccc32)o1 11892808 UJDWHQDMGRRWIW-UHFFFAOYSA-N 348.427 4.770 5 40 EJBB CCCCOc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 72228679 KHJAMNPYPDIXHJ-UHFFFAOYSA-N 342.395 4.643 5 40 EJBB Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] 3427658 GTRVEJYMQDADRX-UHFFFAOYSA-N 332.359 4.823 5 40 EJBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 4257510 UXFPLSBIOXIXNJ-OAQYLSRUSA-N 343.386 4.951 5 40 EJBB COc1ccccc1/C=C/C=C/c1nc2cc([N+](=O)[O-])ccc2s1 58167493 CSVBOGHGSIISEX-DLYLGUBQSA-N 338.388 4.940 5 40 EJBB Cc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3511764 CTUDYWRDLGZJTD-UHFFFAOYSA-N 344.366 4.612 5 40 EJBB O=[N+]([O-])c1ccc(Br)c(OCc2cccc(Cl)c2)c1 36719642 KMAOZEIZOHIGCQ-UHFFFAOYSA-N 342.576 4.590 5 40 EJBB O=c1cc(/C=C/c2ccc3c(c2)OCO3)c2ccc3ccccc3c2o1 6345265 WFWFMNSKOOHQBD-FNORWQNLSA-N 342.350 4.845 5 40 EJBB CCCCOc1ccccc1[C@@H](OCC[N+](C)(C)C)c1ccccc1 4867224 MDPPQETYFYEBMV-QFIPXVFZSA-N 342.503 4.678 5 40 EJBB O=[N+]([O-])c1ccc(Br)c(OCc2ccccc2Cl)c1 36719641 DWEJNRJOQYQNPN-UHFFFAOYSA-N 342.576 4.590 5 40 EJBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccccc4s3)nc12 57352467 OBPQKFNLKIJNAA-UHFFFAOYSA-N 342.405 4.866 5 40 EJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCCCCC1 7754202 YDAVTMBRZQEXLX-UHFFFAOYSA-N 348.786 4.524 5 40 EJBB Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 5602996 XBQZWFCWPRCJNB-MRXNPFEDSA-N 348.324 4.675 5 40 EJBB Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 16250200 MEMQTSJIKCFXRH-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB CCn1c(-c2ccccc2)c(C)s/c1=N\c1cccc([N+](=O)[O-])c1 16711359 ALXQIYOPRHRQJV-HNENSFHCSA-N 339.420 4.686 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ccc3ccncc3c2)cc1C(F)(F)F 2640584 ARYABEDKMYYIKX-UHFFFAOYSA-N 334.253 4.954 5 40 EJBB CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 20484801 SXTQZGOGEDZULO-QGZVFWFLSA-N 346.814 4.765 5 40 EJBB Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 36620940 HPIPIYPDQDYOLK-GOSISDBHSA-N 339.395 4.581 5 40 EJBB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 5944700 CLZRRUVWBUTKCL-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB Cc1c(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cccc1[N+](=O)[O-] 44781804 WHQOOEQNJQBAED-UHFFFAOYSA-N 345.358 4.790 5 40 EJBB CCc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])c2ccccc12 1829897 MLYJXEUOKVFZJV-VXPUYCOJSA-N 345.354 4.675 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1 19009031 SBFBNQIGFCURGD-UHFFFAOYSA-N 334.331 4.639 5 40 EJBB COc1ccc([N+](=O)[O-])cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250176 BUUVASYCQSAJSI-UHFFFAOYSA-N 349.211 4.693 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 4534561 TVPSUVVLKOFAJS-OYASFASXSA-N 340.423 4.862 5 40 EJBB O=C(c1ccccc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 6866868 RVKWKJULZOWIMO-UHFFFAOYSA-N 338.407 4.961 5 40 EJBB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[N+](=O)[O-] 3549529 XUMDIHFFCDHERZ-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1 180532 ATSLZVJHSUBPPB-UHFFFAOYSA-N 329.355 4.507 5 40 EJBB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 219198 ZKEJSOXMJWRGDE-UHFFFAOYSA-N 346.386 4.674 5 40 EJBB C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 69420473 KXPJBAMVDACARH-MRVPVSSYSA-N 335.335 4.603 5 40 EJBB O=[N+]([O-])c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)cs1 54152782 ZNWKWILJGGWHAQ-ZDUSSCGKSA-N 345.449 4.603 5 40 EJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 6418750 JWRBTVZTYJDKJJ-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB Cc1ccc([N+](=O)[O-])c(OCc2csc(Cc3ccccc3)n2)c1 31652577 ZZBVGFKSHDKXRU-UHFFFAOYSA-N 340.404 4.530 5 40 EJBB C[C@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1304354 ACSQLEAXOHQMGI-AWEZNQCLSA-N 348.406 4.584 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SC(C)C 8041740 QKRFPZQQSXYTFB-UHFFFAOYSA-N 330.409 4.656 5 40 EJBB O=C(Nc1cccc2c(=O)c3ccccc3[nH]c12)c1ccc(Cl)cc1 5595175 FPNGQXIMFFQYJL-UHFFFAOYSA-N 348.789 4.587 5 40 EJBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2cc3ccccc3o2)nc1 13022604 KFBDATODSOTXCJ-FQEVSTJZSA-N 345.358 4.938 5 40 EJBB O=C(Nc1cccc(Cl)c1)c1c[nH]c2c(ccc3ccccc32)c1=O 151912 NSVYYIXMGMBQOX-UHFFFAOYSA-N 348.789 4.587 5 40 EJBB CC1=CC[C@H]2CO[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)[C@@H]1C2 1322689 ULQYYPQXTLRTOA-VSKRKVRLSA-N 326.504 4.559 5 40 EJBB biogenic O=[N+]([O-])c1ccc(-c2nnc(Nc3ccc(Cl)cc3)s2)cc1 988405 OWTBIWNNXQZUQB-UHFFFAOYSA-N 332.772 4.510 5 40 EJBB O=C(Sc1nc2cc3ccccc3cc2[nH]1)c1ccc([N+](=O)[O-])cc1 409393271 WQRUPUXNMOMHGP-UHFFFAOYSA-N 349.371 4.557 5 40 EJBB O=[N+]([O-])c1cccc(C=C2c3ccccc3C(O)c3ccccc32)c1 1314617 BARAMELVKTUNBB-UHFFFAOYSA-N 329.355 4.579 5 40 EJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2747387 KDUYRHZKYFMZHJ-UHFFFAOYSA-N 336.322 4.653 5 40 EJBB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1 3246338 YBUOZVGEVOUBNY-UHFFFAOYSA-N 347.370 4.548 5 40 EJBB C[C@@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 6787641 JJQURHSZRVTFTM-GFCCVEGCSA-N 325.393 4.891 5 40 EJBB O=C1CC[C@@H](c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800391 GCGQYSDXKQVRTK-HIFRSBDPSA-N 329.783 4.869 5 40 EJBB CC(C)N(C(=S)Nc1ccc2nc3ccccc3nc2c1)C(C)C 408976203 POXKLNKNGZSMBM-UHFFFAOYSA-N 338.480 4.599 5 40 EJBB O=[N+]([O-])c1c(F)cccc1N1CCC(c2cc3ccccc3[nH]2)CC1 65946545 UHBIHTCVLVVGDW-UHFFFAOYSA-N 339.370 4.599 5 40 EJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1(c2ccccc2)CCCC1 2512616 ZDGKYDWODJNPJC-UHFFFAOYSA-N 344.798 4.699 5 40 EJBB C[C@@H](Sc1ncc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 7179210 XNNJJLZYPUTPQW-CYBMUJFWSA-N 339.420 4.849 5 40 EJBB CCOc1ccccc1[C@H](CC(C)C)Nc1ncccc1[N+](=O)[O-] 72307336 QVLHAMOCQARPNG-HNNXBMFYSA-N 329.400 4.588 5 40 EJBB Cc1cc(O)c2c(n1)c1c(c3nc(C)c(O)cc32)Oc2ccccc2O1 16940431 ROONWFYLHAHJQX-UHFFFAOYSA-N 346.342 4.709 5 40 EJBB CC[N+](CC)(CC)CCOc1c(C)cccc1Cc1ccccc1 5469450 KBOGKTUIEGRWCU-UHFFFAOYSA-N 326.504 4.841 5 40 EJBB CC(C)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 23330870 GBYLXMQKBWLVQF-UHFFFAOYSA-N 335.363 4.519 5 40 EJBB CCCn1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 84760643 FBHQIMOYLYOCLA-UHFFFAOYSA-N 342.424 4.542 5 40 EJBB Cc1ccc(NC(=S)Nc2cccc3ccccc23)c([N+](=O)[O-])c1 17070894 WFENPZSRNMXSHH-UHFFFAOYSA-N 337.404 4.865 5 40 EJBB Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 36620472 QRYLMUDEZYDANR-GOSISDBHSA-N 339.395 4.581 5 40 EJBB O=[N+]([O-])/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 33681496 XPKCGHYUVIVRNI-AATRIKPKSA-N 342.153 4.959 5 40 EJBB O=c1c2ccc(Cl)c3c(Cl)ccc(c32)c2nc3ccccc3n12 46807 PVJCTTWJMQVIMN-UHFFFAOYSA-N 339.181 4.899 5 40 EJBB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5641446 FJQWOMUEEXKMKE-UHFFFAOYSA-N 346.814 4.689 5 40 EJBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4cccc(C)c4o3)sc2c1 57352612 PAFCFYITFNHDKU-UHFFFAOYSA-N 340.364 4.706 5 40 EJBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 112635 TZGDZMTYTBKLBR-UHFFFAOYSA-N 334.331 4.639 5 40 EJBB O=[N+]([O-])c1ccc(-c2nc3ccccc3c3nc4ccccc4n23)cc1 261919 UEPQELNFVZPLQP-UHFFFAOYSA-N 340.342 4.611 5 40 EJBB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 10111739 QTIFZUGCUUPRMA-AWEZNQCLSA-N 340.423 4.692 5 40 EJBB O=Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 35657392 HFJFKSPRNWAHSQ-UHFFFAOYSA-N 345.660 4.872 5 40 EJBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(Br)cc3)oc12 73642578 DTJFXISMTIUADE-UHFFFAOYSA-N 347.168 4.728 5 40 EJBB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)c1 169800242 UOJRQQKPAOUXLJ-HXUWFJFHSA-N 347.370 4.567 5 40 EJBB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1 2648355 YJHLPIYOMFQSHP-VIFPVBQESA-N 339.178 4.644 5 40 EJBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 3897728 VCXMBIHSCGPENR-DETPVDSQSA-N 339.819 4.866 5 40 EJBB Cc1cccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)c1 5942918 YYIRSOBKNGSRLB-UHFFFAOYSA-N 345.423 4.975 5 40 EJBB S=C(Nc1ccccc1)Nc1cc2ccncc2c2ncccc12 408975199 KGWDXBSSJIBYIM-UHFFFAOYSA-N 330.416 4.592 5 40 EJBB CCC[C@H](O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1 1727671 ZJVIXFCBKNAXJS-NWDGAFQWSA-N 340.634 4.560 5 40 EJBB O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12491172 HMRLZXGSSGAADY-HXUWFJFHSA-N 342.358 4.584 5 40 EJBB C[C@H]1CCC[C@@H](C)N1c1c(Cl)cc([N+](=O)[O-])cc1Br 226316622 CUPSDOGDPQWKAO-DTORHVGOSA-N 347.640 4.778 5 40 EJBB CCN(CC)c1ccc([N+](=O)[O-])cc1-c1nc2ccccc2s1 6630118 GPXWLILTRMRJNA-UHFFFAOYSA-N 327.409 4.718 5 40 EJBB Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1[N+](=O)[O-] 9141828 PPSHXTLXFTWMSJ-UHFFFAOYSA-N 340.766 4.962 5 40 EJBB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2N1c1ccccc1 409206400 NVSPWQSWKUKGHO-XMHGGMMESA-N 342.354 4.814 5 40 EJBB C[C@]12CCCC[C@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12 506965 ZECWOPIXKZIXBD-UXHICEINSA-N 336.391 4.535 5 40 EJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 5670552 ACPQMWIBWGNXSU-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccco3)C2)o1 190438 PEYAYDLYYOQRKF-IJDCCNJMSA-N 349.346 4.802 5 40 EJBB S=C(Nc1ccccc1)Nc1cc2cccnc2c2cccnc12 408975082 JTWQIYVRVNYJNG-UHFFFAOYSA-N 330.416 4.592 5 40 EJBB CC(=C/C=C/C=C(C)/C=C/C=C(/C)C(=O)O)/C=C/C=C(\C)C(=O)O 13410742 PANKHBYNKQNAHN-AWVVJTJESA-N 328.408 4.609 5 40 EJBB endogenous,in-man Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(OC(C)C)cc1 14258338 QHCXKCOHGICMSA-UHFFFAOYSA-N 348.786 4.596 5 40 EJBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Cl)c3)oc12 73642667 RGEISTJSTJXABQ-UHFFFAOYSA-N 332.743 4.627 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2c(Cl)cccc12 9141707 MDYILVFJXDCLPK-UHFFFAOYSA-N 326.739 4.654 5 40 EJBB CN(C)c1ccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc1 1735401 PAGKFVUYSRSZOC-UHFFFAOYSA-N 342.398 4.819 5 40 EJBB C[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)c1ccccc1 2056478 XIIABVOOWCPZQR-LSDHHAIUSA-N 327.380 4.582 5 40 EJBB CCCCc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 225991692 OWWZIZZHMMYAGL-UHFFFAOYSA-N 338.407 4.608 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(C)C)cc1 10360847 SEJZZAIEIFWJNR-UHFFFAOYSA-N 326.396 4.598 5 40 EJBB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 30183832 JVMMEPSXBGTAQM-UHFFFAOYSA-N 342.420 4.882 5 40 EJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(OC(C)C)cc1 72228714 UYPUAQHTZPNESL-UHFFFAOYSA-N 342.395 4.505 5 40 EJBB CC(C)c1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 23911205 XDFDMFIJTGZJCR-UHFFFAOYSA-N 341.411 4.549 5 40 EJBB O=C(/C=C/c1ccccc1)Nc1ccc2c(=O)c3ccccc3oc2c1 6660714 LSIPGXVTZNQYTD-JLHYYAGUSA-N 341.366 4.598 5 40 EJBB O=[N+]([O-])c1cc(CSc2ncc(-c3ccc(F)cc3)o2)cs1 58357844 HBQPOIWMQXGDJK-UHFFFAOYSA-N 336.369 4.743 5 40 EJBB Cc1cc2occ(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1Cl 19923616 HSOHISJJKHHIKP-GORDUTHDSA-N 341.750 4.833 5 40 EJBB O=[N+]([O-])c1cc(-c2csc(Nc3ccccn3)n2)ccc1Cl 29457137 WQOIWOOLYUVBDK-UHFFFAOYSA-N 332.772 4.510 5 40 EJBB 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5 40 EJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc2ccccc2o1 86351 UAEMQEWLSWQKMG-UHFFFAOYSA-N 340.282 4.906 5 40 EJBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 367995 TXYRGOINNCORTB-UHFFFAOYSA-N 347.783 4.591 5 40 EJBB O=C(c1ccccc1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 5899759 BKLPIHUWQIMVMB-UHFFFAOYSA-N 335.384 4.977 5 40 EJBB O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@H]1c1nc2ccccc2o1 89874878 ZBWAGCGKRFXUPS-HNNXBMFYSA-N 341.342 4.607 5 40 EJBB O=C(Nc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408913868 UPQKZVHUXXFIBM-HMMYKYKNSA-N 344.370 4.774 5 40 EJBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccccc1 336644 HPYIDDDLHXOZLZ-UHFFFAOYSA-N 343.342 4.997 5 40 EJBB O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc3ccccc3s2)c1 409192418 XEPZLCIRIJZORI-UHFFFAOYSA-N 339.420 4.862 5 40 EJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1CO 323297128 PFUHUKIUYHNLQW-UHFFFAOYSA-N 347.676 4.552 5 40 EJBB CC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 225208507 CDLZRUADDDTDIK-UHFFFAOYSA-N 325.151 4.848 5 40 EJBB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 5744921 VFDKUJXOKCEOHQ-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 253593 OHXUHLXCFRBGJA-UHFFFAOYSA-N 344.129 4.685 5 40 EJBB CC(C)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 7093772 WAUUQOUVWNSXHB-UHFFFAOYSA-N 344.436 4.590 5 40 EJBB O=[N+]([O-])c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1 15454010 ROKGCJGJRAGJNT-UHFFFAOYSA-N 327.343 4.872 5 40 EJBB CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)C1CCCCC1 27529379 NBODPKZBWWPYBD-UHFFFAOYSA-N 349.430 4.741 5 40 EJBB S=C(Nc1ccc2cc3ccccc3nc2c1)N1CCCCCC1 7098857 KSFWBMNOZQKKNS-UHFFFAOYSA-N 335.476 4.961 5 40 EJBB O=C(NCCC1=CCCCC1)Nc1cc2ncccc2c2cccnc12 6269364 GMVIDTQFMMFVPG-UHFFFAOYSA-N 346.434 4.795 5 40 EJBB CCc1cc([N+](=O)[O-])cc(Br)c1NC1CCCCC1 226316051 BAIPQNFFMNEVBU-UHFFFAOYSA-N 327.222 4.664 5 40 EJBB C[N+]1(Cc2ccc(C[N+]3(C)CCCCCC3)cc2)CCCCCC1 1646402 JXIIOUPHFFEZJD-UHFFFAOYSA-N 330.560 4.728 5 40 EJBB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3F)o2)c([N+](=O)[O-])c1 8020315 IEBFBCNIEJFKFW-UHFFFAOYSA-N 340.310 4.555 5 40 EJBB Oc1nc2nc(-c3ccncc3)cc(C(F)(F)F)c2c2ccccc12 84593437 NBTWGRMTGVYXCH-UHFFFAOYSA-N 341.292 4.569 5 40 EJBB Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] 6083926 SUIJCODARGPELL-UHFFFAOYSA-N 346.386 4.746 5 40 EJBB CC[C@H](CO)Nc1nc2c(Cl)cc(Cl)cc2c2ccccc12 31719281 PZYZKUHQNWIGGY-LLVKDONJSA-N 335.234 4.878 5 40 EJBB Cc1cc2oc3ccccc3c(=O)c2cc1C(=O)OCc1ccccc1 63115289 NIHUNFHWAMEVHQ-UHFFFAOYSA-N 344.366 4.612 5 40 EJBB C[N+]1(C)CCC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 1726486 BXIYOSFMJSFGGH-INIZCTEOSA-N 325.501 4.776 5 40 EJBB Cc1ccccc1OCC(=O)Nc1ccnc2c1ccc1ccccc12 40384353 MGVXWKGMGTVTMU-UHFFFAOYSA-N 342.398 4.714 5 40 EJBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccn2)c2c[nH]c3ccccc23)cc1 4058918 RXEVGBKQCCLCDV-HXUWFJFHSA-N 344.374 4.673 5 40 EJBB COc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)Cc1ccccc1-2 95418997 CSDCNNZOLKTCEH-UHFFFAOYSA-N 346.386 4.787 5 40 EJBB CCCCn1c2nc3ccccc3c-2nc2cc(OC)c(OC)cc21 1697609 KTZOVTSWZOCYJX-UHFFFAOYSA-N 335.407 4.507 5 40 EJBB O=C(Nc1cccc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6225156 BAWVXAGXLIOXDV-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 408623788 ZFOOKELKBWZEIY-UHFFFAOYSA-N 332.315 4.747 5 40 EJBB Fc1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1 409314744 HDAVYEITNKRVMD-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 585162573 MWKIJKCNHZZODI-ZOYJPBRRSA-N 340.423 4.862 5 40 EJBB O=C(Nc1ccccc1F)Nc1cc2cccnc2c2ncccc12 6495745 DLKQQWMXYRFHPP-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB O=[N+]([O-])c1ccc(C23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 13467973 ZTTYOYSLNBHBFP-RJAIZQQDSA-N 336.229 4.580 5 40 EJBB O=[N+]([O-])c1cc(Cl)cc(Br)c1NC1CCCCC1 45886134 OURBPSIPYPGVFU-UHFFFAOYSA-N 333.613 4.755 5 40 EJBB Cc1ccc([C@H](O)c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 226297113 HWRVIVJQWVMKNZ-FQEVSTJZSA-N 333.343 4.884 5 40 EJBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCC1 408996324 DAGBEUQABBYUIE-UHFFFAOYSA-N 348.431 4.625 5 40 EJBB O=[N+]([O-])c1ccc(NCc2ccc3ccccc3c2)c2ccncc12 525708062 VTZMYJDSXGBJKL-UHFFFAOYSA-N 329.359 4.908 5 40 EJBB O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)c1 351369 NIXRGAOHOGBNOM-UHFFFAOYSA-N 342.358 4.510 5 40 EJBB O=[N+]([O-])c1ccc2oc(C(c3ccccc3)c3ccccc3)nc2c1 226235894 QZBCPGOEZOGZLP-UHFFFAOYSA-N 330.343 4.916 5 40 EJBB O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-] 5670601 CIRUWGVWFACUEW-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB Cc1ccc(OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 4503111 JKVWRSGMQYBVJB-UHFFFAOYSA-N 337.331 4.691 5 40 EJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1cccc(Cl)c1 6796549 PZTZCLQOPDOBEK-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB C[C@]12CCCC[C@@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12 4817389 ZECWOPIXKZIXBD-WOJBJXKFSA-N 336.391 4.535 5 40 EJBB O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 6222213 WWIJYIOLTWLVBB-GHXNOFRVSA-N 338.146 4.527 5 40 EJBB CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3330649 SHPLGDVSHNMSKP-UHFFFAOYSA-N 332.787 4.798 5 40 EJBB O=[N+]([O-])/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 6321595 HQFFKXVLKUZNAQ-SNAWJCMRSA-N 342.153 4.959 5 40 EJBB O=[N+]([O-])c1ccc(OCc2ccc(F)c3cccnc23)c(Cl)c1 24569630 REHZJNQGRQHXNA-UHFFFAOYSA-N 332.718 4.515 5 40 EJBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 38278452 QBRHYNXBYMEHNM-AWEZNQCLSA-N 335.190 4.883 5 40 EJBB O=C(O)c1ccc([N+](=O)[O-])cc1N(c1ccccc1)c1ccccc1 1602792 WEPIXDOFTJZQIB-UHFFFAOYSA-N 334.331 4.763 5 40 EJBB C[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)c1ccccc1 2056480 XIIABVOOWCPZQR-GJZGRUSLSA-N 327.380 4.582 5 40 EJBB COc1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])cc1Cl 5661779 HKXUICWVLJCIQJ-UHFFFAOYSA-N 327.167 4.522 5 40 EJBB O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 258347 NAPFSSHSVDTNTI-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB O=[N+]([O-])c1ccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)cc1 1686034 SVORWJALIHGFJK-WOJBJXKFSA-N 344.370 4.854 5 40 EJBB Cc1nc(-c2ccc([C@@H](C)Nc3ncccc3[N+](=O)[O-])cc2)cs1 24828488 LRENLZNGFSSBMF-LLVKDONJSA-N 340.408 4.595 5 40 EJBB CCc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1 59474339 CCEPUYPJTGZUQG-UHFFFAOYSA-N 342.394 4.934 5 40 EJBB Cc1noc(/C=C/c2c(OC(F)F)ccc3ccccc23)c1[N+](=O)[O-] 101106796 YQMSEVFQAHGJPK-VQHVLOKHSA-N 346.289 4.816 5 40 EJBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(F)cc3Cl)nc2c1 6448515 UWKGZGWPULHCMY-UHFFFAOYSA-N 337.763 4.556 5 40 EJBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3N[C@H](c3ccco3)C2)cc1 7496377 ZZCJCFVJYXLOPC-SFHVURJKSA-N 333.347 4.866 5 40 EJBB O=c1cc(CSc2ccc(O)cc2)c2c(ccc3ccccc32)o1 47884492 KVSQVKWXGVVFGX-UHFFFAOYSA-N 334.396 4.944 5 40 EJBB CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217873514 BRCIKJSVCGHQHY-INIZCTEOSA-N 346.814 4.746 5 40 EJBB Cc1ccc2c(c1)S[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)S2 16348201 NFDROOQNGJBXBB-MRXNPFEDSA-N 331.418 4.700 5 40 EJBB CC(C)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 22520603 JGFBZUHHLSIWFO-TZZQJPOUSA-N 338.407 4.512 5 40 EJBB CC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 15207636 YGUMBYCCYPGLIS-UHFFFAOYSA-N 325.242 4.609 5 40 EJBB Cc1noc(/C=C/c2ccc(-c3ccccc3Cl)o2)c1[N+](=O)[O-] 3125450 YKJYDSZDWJRHHS-VQHVLOKHSA-N 330.727 4.975 5 40 EJBB aggregator CCCNC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 408997411 OJOUVEDMPGKJDQ-UHFFFAOYSA-N 336.420 4.529 5 40 EJBB COc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl 408558014 RKXHYZQOVJDWFR-UHFFFAOYSA-N 327.167 4.522 5 40 EJBB O=C(Nc1ccc2ccccc2c1)c1coc2ccc([N+](=O)[O-])cc12 408965601 JFHXEAZLNVPPDW-UHFFFAOYSA-N 332.315 4.747 5 40 EJBB O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 265780 GVKSGQBPOAZRMH-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c([N+](=O)[O-])c1 1504250258 FMGRIORMRYSWDZ-UHFFFAOYSA-N 333.212 4.993 5 40 EJBB C[C@H]1CCc2c(sc3ncnc(Oc4ccccc4[N+](=O)[O-])c23)C1 3397820 FWKPWDYGXYCVEK-JTQLQIEISA-N 341.392 4.517 5 40 EJBB S=C(Nc1ccccc1)Nc1cc2cccnc2c2ncccc12 6816316 FCJTWJBTEYGKTM-UHFFFAOYSA-N 330.416 4.592 5 40 EJBB CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 23323633 AQHJQQGJWLHYAH-UHFFFAOYSA-N 344.386 4.698 5 40 EJBB CN(c1c(Cl)cc([N+](=O)[O-])cc1Br)C1CCCCC1 226316901 UGWXIWLWXPDOLS-UHFFFAOYSA-N 347.640 4.780 5 40 EJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 59477506 NWGRPVWQHNNULU-FMIVXFBMSA-N 348.358 4.815 5 40 EJBB O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1 4056783 DYHFTWZYEVNOJC-CMDGGOBGSA-N 337.162 4.554 5 40 EJBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C 44086829 MHWISGLDNZYRKX-UHFFFAOYSA-N 339.420 4.868 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 1559538512 MWKIJKCNHZZODI-BWTSREIZSA-N 340.423 4.862 5 40 EJBB O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 15168727 OYPDCXIQJNCENU-CQSZACIVSA-N 343.383 4.685 5 40 EJBB O=[N+]([O-])c1ccc(COc2ccc(/C=C/c3ccccn3)cc2)cc1 16890127 ZYHBAUXVNJJKCC-RUDMXATFSA-N 332.359 4.739 5 40 EJBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3N[C@@H](c3ccco3)C2)cc1 7496381 ZZCJCFVJYXLOPC-GOSISDBHSA-N 333.347 4.866 5 40 EJBB Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 559904 MMVNZHMJJVPYMR-UHFFFAOYSA-N 332.359 4.823 5 40 EJBB C[C@@H]([C@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1 2159484 TXHDLAJCZMAFEG-UUOWRZLLSA-N 344.478 4.936 5 40 EJBB CC1CCN(C(=S)Nc2ccc3cc4ccccc4nc3c2)CC1 409190629 UBONXLCYBWWFLY-UHFFFAOYSA-N 335.476 4.817 5 40 EJBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 258370 POHZQGLZDIBODA-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB C[C@H](Sc1nnc(NC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 32841172 DPBLEZNOHUAWDS-VIFPVBQESA-N 338.458 4.510 5 40 EJBB CCCCCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 3893123 LUNRRLZVJCBSGS-UHFFFAOYSA-N 349.434 4.945 5 40 EJBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccccc3OC(F)F)sc2c1 5130217 JQUOWCIHOOCWFK-VMPITWQZSA-N 348.330 4.976 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 100030565 TVPSUVVLKOFAJS-IMUUNTMGSA-N 340.423 4.862 5 40 EJBB C[C@@]12CCCC[C@]13Oc1ccc([N+](=O)[O-])cc1CN3c1ccccc12 4817388 ZECWOPIXKZIXBD-PMACEKPBSA-N 336.391 4.535 5 40 EJBB O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 137895 YQHNTQDUGHPCMR-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 7455695 FFTAAKOBZBWRAO-LBPRGKRZSA-N 340.408 4.542 5 40 EJBB Cc1ccc2nc(Nc3nc4c(C)cc([N+](=O)[O-])cc4s3)oc2c1 57352707 ONOFEOVBIFYMIA-UHFFFAOYSA-N 340.364 4.706 5 40 EJBB c1ccc(CC[N+]2(Cc3ccccc3)CCN=C2c2ccccc2)cc1 31924811 FNEOLDRRVRRLGV-UHFFFAOYSA-N 341.478 4.707 5 40 EJBB Cc1c(Oc2c(F)cc(C(F)(F)F)cc2F)cccc1[N+](=O)[O-] 1504250431 LJPJFDOUTQFCKW-UHFFFAOYSA-N 333.212 4.993 5 40 EJBB CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 20484803 SXTQZGOGEDZULO-KRWDZBQOSA-N 346.814 4.765 5 40 EJBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1c1cccs1 85636206 RTVFMWXVHZHIDL-AWEZNQCLSA-N 345.424 4.642 5 40 EJBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4702267 QWFBYWVZTWTDGR-HDPALTEOSA-N 345.399 4.520 5 40 EJBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1csc([N+](=O)[O-])c1 84594610 IACFOFQPJNNSNJ-UHFFFAOYSA-N 338.344 4.808 5 40 EJBB Cc1noc(/C=C\c2ccccc2OCc2ccccc2)c1[N+](=O)[O-] 9667890 KMGQAEVVXYSZDW-QXMHVHEDSA-N 336.347 4.641 5 40 EJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3ccc(C)cc3[nH]2)o1 85345506 XZNHXLWVZLYFKH-UHFFFAOYSA-N 349.346 4.715 5 40 EJBB CC(=O)OCCC/C(=C/c1c2ccccc2cc2ccccc12)[N+](=O)[O-] 5431831 CCXNMJJRIVZNSF-JXAWBTAJSA-N 349.386 4.954 5 40 EJBB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1[N+](=O)[O-] 408613941 ZADJPDATSPKFIO-UHFFFAOYSA-N 330.727 4.555 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 585162570 MWKIJKCNHZZODI-GMFDKDDBSA-N 340.423 4.862 5 40 EJBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 3897725 VCXMBIHSCGPENR-AXAPSJFSSA-N 339.819 4.866 5 40 EJBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1C 72229441 NRASKYYYSRZMDV-UHFFFAOYSA-N 339.178 4.771 5 40 EJBB Clc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 4128139 LUFQGHAEYUUFGR-UHFFFAOYSA-N 330.778 4.980 5 40 EJBB CC(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 8357340 YJOQQUXPJDSMTC-UHFFFAOYSA-N 338.407 4.523 5 40 EJBB Cc1ccc(C)c(NC(=O)c2cccc3nc4ccccc4nc23)c1 12277016 DIFPDPBCJNFVAA-UHFFFAOYSA-N 327.387 4.652 5 40 EJBB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(Cl)c1 6207397 XPHQQMVPOLOUQB-CMDGGOBGSA-N 333.771 4.565 5 40 EJBB CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 58378162 NEEZDBJXSDIEFO-LBPRGKRZSA-N 330.409 4.986 5 40 EJBB Cc1noc(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-] 3125446 ONKRVSHGMGBFGK-VQHVLOKHSA-N 330.727 4.975 5 40 EJBB COc1ccc(-c2ccc(-c3nc4ccc(C)cc4[nH]3)o2)cc1[N+](=O)[O-] 85345528 YREKQSLJCGTXIM-UHFFFAOYSA-N 349.346 4.715 5 40 EJBB C[C@@H]1CCCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1304355 ACSQLEAXOHQMGI-CQSZACIVSA-N 348.406 4.584 5 40 EJBB O=[N+]([O-])c1cccnc1N[C@H](c1ccccc1)c1ccc(Cl)cc1 22815742 PPMBXGUQUPSYME-QGZVFWFLSA-N 339.782 4.845 5 40 EJBB O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccccc2)cc1 311063910 XORUZULIMBKHQP-UHFFFAOYSA-N 334.375 4.786 5 40 EJBB Cc1cc(OCc2cc3ccccc3nc2Cl)ccc1[N+](=O)[O-] 10320459 QSYFSMLAKBKYQH-UHFFFAOYSA-N 328.755 4.684 5 40 EJBB CCOc1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12 151513 IMYSISPGDGPLQD-UHFFFAOYSA-N 339.376 4.523 5 40 EJBB O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c2ccccc2n1 1022263 PUVFHGOPESKRKW-UHFFFAOYSA-N 327.343 4.872 5 40 EJBB CCCCn1c(CCC)nc([N+](=O)[O-])c1Sc1ccc(F)cc1 2191281 QMVXTZGRNZRYQH-UHFFFAOYSA-N 337.420 4.834 5 40 EJBB CCOC(=O)c1c[nH]c2c(ccc3ccccc32)c1=NC1CCCCC1 5958524 NXCANNXJEBCTOF-UHFFFAOYSA-N 348.446 4.731 5 40 EJBB O=C1c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1Cl 169800385 GTIAAPJHNJSATQ-NSHDSACASA-N 336.174 4.814 5 40 EJBB CC1=CC[C@H]2CO[C@H](C[N+]3(Cc4ccccc4)CCCCC3)[C@@H]1C2 2116379 ULQYYPQXTLRTOA-YPAWHYETSA-N 326.504 4.559 5 40 EJBB biogenic CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 408588417 WCRSJDUMYHREBR-UHFFFAOYSA-N 348.786 4.679 5 40 EJBB O=[N+]([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 4322825 TXNVKRSTFDCGKJ-UHFFFAOYSA-N 328.111 4.553 5 40 EJBB CCCCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5421573 DQKYGWUPNUUPAJ-UHFFFAOYSA-N 332.787 4.843 5 40 EJBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccccc3OC(F)F)nc2c1 5130167 GFOUOOFCZHPCIR-VMPITWQZSA-N 348.330 4.976 5 40 EJBB CC1=CC[C@@H]2CO[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)[C@@H]1C2 100291508 ULQYYPQXTLRTOA-BDTNDASRSA-N 326.504 4.559 5 40 EJBB Cc1cccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)c1 5033339 YQXOTCMLMMASPI-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cccc(OC(F)F)c3)nc12 60822070 DCRMDOHOFQDBLB-VQHVLOKHSA-N 342.301 4.915 5 40 EJBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 341272 FFRPIAIEGNUUGV-UHFFFAOYSA-N 340.766 4.962 5 40 EJBB c1ccc2c(-c3ccc(N4CCOCC4)cc3)c3ccccc3nc2c1 5336988 OFFULTFLHAEDGB-UHFFFAOYSA-N 340.426 4.892 5 40 EJBB CN1c2ccccc2[C@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@@]312 501315 AOQKMJVGELKIIG-LEWJYISDSA-N 348.402 4.659 5 40 EJBB aggregator CCOc1cc2nc3c4ccccc4n(CC)c3nc2cc1OCC 501705 DWUAJJNXJYZMFX-UHFFFAOYSA-N 335.407 4.555 5 40 EJBB O=[N+]([O-])c1cc(Cl)ccc1Sc1ccc(Cl)cc1[N+](=O)[O-] 1622827 NZMXSYDYEJRUQX-UHFFFAOYSA-N 345.163 4.961 5 40 EJBB Cc1ccc(Oc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)cc1 5385811 VCNTUYMQPVSOJV-UHFFFAOYSA-N 346.342 4.690 5 40 EJBB CN1/C(=C\Sc2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21 12560184 NDDATGWDZBPVCW-ATVHPVEESA-N 326.421 4.956 5 40 EJBB O=C(O)CCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 44667955 SVQZCSVOBTWEFB-UHFFFAOYSA-N 337.416 4.959 5 40 EJBB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1 59477514 OVLAACBAESTURV-FMIVXFBMSA-N 348.358 4.815 5 40 EJBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])s1 3449908 PUJFMJQVWZIIPX-UHFFFAOYSA-N 339.372 4.603 5 40 EJBB COc1ccc2nc3c(Cl)c(Cl)c(=O)c(Cl)c-3sc2c1 5665282 HLNGOJWVENQXNL-UHFFFAOYSA-N 346.622 4.730 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ncnc3sc4c(c23)CCCCC4)cc1 14158904 GNFQRTLQHKQAOP-UHFFFAOYSA-N 341.392 4.661 5 40 EJBB Cc1cc(C)cc(NC(=O)c2cccc3nc4ccccc4nc23)c1 9910291 XHUXJUFWNVFGLJ-UHFFFAOYSA-N 327.387 4.652 5 40 EJBB CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1C 217873692 QFAXVDBYSRXSLP-INIZCTEOSA-N 346.814 4.746 5 40 EJBB CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408613130 XPQLXKMNHPZSNO-UHFFFAOYSA-N 341.194 4.912 5 40 EJBB C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)CC(C)(C)C[C@H]1C 245226435 WZCPBHQNGPQOEP-DYEKYZERSA-N 344.411 4.574 5 40 EJBB CC(=O)OCCC/C(=C\c1c2ccccc2cc2ccccc12)[N+](=O)[O-] 4995021 CCXNMJJRIVZNSF-NBVRZTHBSA-N 349.386 4.954 5 40 EJBB C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 12852988 TXNATSCGZGGKHA-HNNXBMFYSA-N 346.386 4.753 5 40 EJBB CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 44085346 JFJAJPWYLLYOKC-UHFFFAOYSA-N 339.420 4.948 5 40 EJBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 258334 RQVNDPPTORTWST-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB CCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 14258320 JLJQMWPPLLEWFS-UHFFFAOYSA-N 348.786 4.598 5 40 EJBB N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(Cl)cc1 4772233 MUVWWJDDBCZVPQ-UHFFFAOYSA-N 348.789 4.971 5 40 EJBB CC[N+](C)(CC)CCOc1ccccc1Cc1ccc(Cl)cc1 5469373 YFVVMYVZHRKVRR-UHFFFAOYSA-N 332.895 4.796 5 40 EJBB O=[N+]([O-])c1cccc(Cc2ccc(Cc3cccc([N+](=O)[O-])c3)cc2)c1 1575624 LBDZBXXXDRBZDT-UHFFFAOYSA-N 348.358 4.685 5 40 EJBB CCN(C(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1C 3326984 IUGOYMDBIDTPLF-UHFFFAOYSA-N 349.843 4.780 5 40 EJBB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C 8306557 GEIMOGDGLAYABJ-MAUKXSAKSA-N 338.407 4.925 5 40 EJBB CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])ccc4O[C@@]312 535207 LMVAMOSFKOFKNX-LEWJYISDSA-N 348.402 4.659 5 40 EJBB CN(Cc1ccccc1F)Cc1cc(=O)oc2ccc3ccccc3c12 6652926 MXZNFHARDRAINN-UHFFFAOYSA-N 347.389 4.717 5 40 EJBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@@]312 4794759 AOQKMJVGELKIIG-NHCUHLMSSA-N 348.402 4.659 5 40 EJBB aggregator CSc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] 13140815 XEENYIGDLMHFQF-UHFFFAOYSA-N 336.800 4.531 5 40 EJBB O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CC3CCC(CC3)C1)c1ccccc1-2 1569619 KXUKAPLIZZFGCH-XFMWISLNSA-N 334.419 4.787 5 40 EJBB O=[N+]([O-])c1cc(Cl)ccc1N1CCC(Cc2ccccc2)CC1 4719334 AXDXKVUCVCALRN-UHFFFAOYSA-N 330.815 4.707 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 585162572 MWKIJKCNHZZODI-XANVIZKASA-N 340.423 4.862 5 40 EJBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccccc2)cc1 409111894 DSKAVMRABCDDGZ-UHFFFAOYSA-N 334.375 4.786 5 40 EJBB O=[N+]([O-])c1ccc(-c2ccccc2CCc2ccccc2)c([N+](=O)[O-])c1 3844930 SKGMRIGRXMXNBN-UHFFFAOYSA-N 348.358 4.955 5 40 EJBB biogenic COC(=O)Nc1ccc2ccc3c(NC(=O)OC)ccc4ccc1c2c43 1665409 BXHVEYLJLJTKHP-UHFFFAOYSA-N 348.358 4.941 5 40 EJBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cccc([N+](=O)[O-])c4O[C@]312 2275632 AOQKMJVGELKIIG-RTWAWAEBSA-N 348.402 4.659 5 40 EJBB aggregator C/C=C/c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c(OC)c1 5937779 ABQUCVFLYWKMDJ-ONEGZZNKSA-N 336.347 4.977 5 40 EJBB Cc1ccc(COc2ccc(/C=C/[N+](=O)[O-])cc2Br)cc1 107595616 RYDMQKNRTYMXIU-CMDGGOBGSA-N 348.196 4.584 5 40 EJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 3373523 VXDQHKKAHIUJAN-UHFFFAOYSA-N 347.779 4.820 5 40 EJBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc2ccccc2n1C(F)F 29751148 HOSGJYANHCRPBG-UHFFFAOYSA-N 347.321 4.535 5 40 EJBB O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 4718435 NKZATZDYEKDQLV-UHFFFAOYSA-N 335.319 4.973 5 40 EJBB in-vitro Cc1cc2nc(Nc3nc4ccc([N+](=O)[O-])cc4s3)oc2cc1C 57352634 RFEFWUJTCNKUEE-UHFFFAOYSA-N 340.364 4.706 5 40 EJBB O=[N+]([O-])c1ccc(COc2ccc(C3SCCS3)cc2)cc1 132620 XHFXQGCLVSEAQO-UHFFFAOYSA-N 333.434 4.652 5 40 EJBB FC(F)(F)c1cc(Br)c2ccc3ncccc3c2n1 13281537 FWMDODFSNOWBBX-UHFFFAOYSA-N 327.103 4.564 5 40 EJBB O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 48038883 SVBKAAMYJVDUTR-HXUWFJFHSA-N 336.366 4.613 5 40 EJBB Cc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 6426470 KWZLOARWTFQKDH-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cccc2ccccc12 222667407 ULAHBDJMCDHZMQ-UHFFFAOYSA-N 334.375 4.628 5 40 EJBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)Oc1ccc(Cl)cc1 157704 WEXXBEGRCVKUGT-UNXLUWIOSA-N 338.146 4.520 5 40 EJBB CC(C)N(C(=S)Nc1cc2cccnc2c2ncccc12)C(C)C 6708414 NNZRHWHGXGQWIU-UHFFFAOYSA-N 338.480 4.599 5 40 EJBB Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)oc2ccccc12 9514832 MVCNLWGIFHBSKE-UHFFFAOYSA-N 330.727 4.555 5 40 EJBB COc1cc2c(C)c3cc(OC)c(OC)cc3c(C)c2cc1OC 19799585 FRIORIWMGKOZPB-UHFFFAOYSA-N 326.392 4.644 5 40 EJBB CC(C)c1ccc(O[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 76555408 XPQHLHQMJASBNO-GFCCVEGCSA-N 325.368 4.735 5 40 EJBB Cc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)c1 5364541 WQHYYGKMIPFEJL-UHFFFAOYSA-N 349.394 4.797 5 40 EJBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 1671457 AOCPJERKEMZUBU-UHFFFAOYSA-N 346.553 4.774 5 40 EJBB C[C@@H](SC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6510762 NTPYQNNPQXBXAJ-SNVBAGLBSA-N 342.848 4.641 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])Oc1ccc(-c2ccccc2)cc1 5330111 PBILPOPXVXEUFH-UHFFFAOYSA-N 334.331 4.873 5 40 EJBB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 358515 ZDNWEEDKLMDGCG-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(Cl)cc1Cl 1640303 OFSDQULUDDSPGS-UHFFFAOYSA-N 341.150 4.821 5 40 EJBB CC[C@H](C)c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 3291957 NKUCHQUKGJLFPD-ZDUSSCGKSA-N 337.375 4.576 5 40 EJBB CCO[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1C(C)C 6411149 MJBVTDIBPAKOBD-DEOSSOPVSA-N 349.323 4.652 5 40 EJBB CC(C)c1nc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc2o1 27351651 CFIRMFVTSSYGGO-UHFFFAOYSA-N 340.339 4.503 5 40 EJBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 59475068 QZUVYNGOIATMER-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 6598229 KYYJCPAHOXVWDN-UHFFFAOYSA-N 333.343 4.619 5 40 EJBB O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 226762482 SJIXWUXFVNDEFK-UHFFFAOYSA-N 339.178 4.587 5 40 EJBB O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 6220876 ONWHZVNTCORAPY-GHXNOFRVSA-N 338.146 4.527 5 40 EJBB CCc1nn2c(-c3cccc([N+](=O)[O-])c3)ccnc2c1-c1ccccc1 6755626 XQUWYARIOHNYAS-UHFFFAOYSA-N 344.374 4.534 5 40 EJBB CCCCc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1 226762391 QLYNLUFGSXLWFK-UHFFFAOYSA-N 326.396 4.622 5 40 EJBB CC[N+]1(C)CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 1726987 CDCAQJIIFKWMHT-CISYCMJJSA-N 325.501 4.776 5 40 EJBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)c1ccccc1 389334 JHUSXEHEXJRWJI-CQSZACIVSA-N 344.366 4.596 5 40 EJBB biogenic Cc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 5938435 MOKJCYKBBWUIKR-UHFFFAOYSA-N 346.386 4.746 5 40 EJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C)c(Cl)c1 72228644 UFJXUTGCXPMBLU-UHFFFAOYSA-N 332.787 4.680 5 40 EJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl 3152656 ATDSLMCXEPWTSB-RMKNXTFCSA-N 337.162 4.554 5 40 EJBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 203624 NLJFHFCUPHYANO-LJQANCHMSA-N 342.358 4.584 5 40 EJBB O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)Oc1ccc(Cl)cc1 33373968 WEXXBEGRCVKUGT-QPIMQUGISA-N 338.146 4.520 5 40 EJBB CC(C)(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 32935947 OLBITSCQSNAJOE-INIZCTEOSA-N 327.384 4.504 5 40 EJBB CN(C)c1ccc(C(=O)Nc2ccnc3c2ccc2ccccc23)cc1 40384236 VWYZHWWWVXAWAE-UHFFFAOYSA-N 341.414 4.706 5 40 EJBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 38278453 QBRHYNXBYMEHNM-CQSZACIVSA-N 335.190 4.883 5 40 EJBB CCCCOc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 72228720 DBKDTWMCOPJKCY-UHFFFAOYSA-N 342.395 4.643 5 40 EJBB CC(C(=O)Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1 244110 MSEBXDHEKMVPQQ-UHFFFAOYSA-N 346.386 4.540 5 40 EJBB CCC[C@@H](O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1 1727672 ZJVIXFCBKNAXJS-VXGBXAGGSA-N 340.634 4.560 5 40 EJBB O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3cccc(Cl)c3)o2)c1 153152 OPPMRCCPCADVOV-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB Cc1sc2ncnc(SCc3cccc([N+](=O)[O-])c3)c2c1C 3562724 FNLCXKTYUBHZNN-UHFFFAOYSA-N 331.422 4.509 5 40 EJBB Cc1cccn2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc12 244926 DQUOAULLWYZNBQ-UHFFFAOYSA-N 326.355 4.569 5 40 EJBB CC(C)CCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 3454130 JRFDWDNOPJORHY-UHFFFAOYSA-N 344.436 4.522 5 40 EJBB CCn1c(C)c2c(C)nn3cc(-c4ccc([N+](=O)[O-])cc4)cc3c2c1C 33783202 IYSOJDWYDFHJTB-UHFFFAOYSA-N 348.406 4.809 5 40 EJBB C[N+]1(Cc2ccccc2C[N+]2(C)CCCCCC2)CCCCCC1 1594966 BRHHQUSJMCOMPT-UHFFFAOYSA-N 330.560 4.728 5 40 EJBB CC(=O)OCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-] 1701034 OAHAFQKXZJIBLO-LGMDPLHJSA-N 335.359 4.564 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1CCc1ccccc1 4036584 ZPTCILHXZPTLTC-UHFFFAOYSA-N 346.386 4.632 5 40 EJBB O=[N+]([O-])c1cccc(Br)c1OCc1ccc(Cl)cc1 36719650 FBANNWPFCSQSCD-UHFFFAOYSA-N 342.576 4.590 5 40 EJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccccc2)CCCC1 6474777 JQXMQONFEBNCHS-UHFFFAOYSA-N 344.798 4.699 5 40 EJBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1 226294768 MVRMKDMBUUFSQU-UHFFFAOYSA-N 346.342 4.982 5 40 EJBB Cc1ccc(Nc2nc(COc3ccccc3[N+](=O)[O-])cs2)cc1 4960596 QWGMIIBOCHMHNP-UHFFFAOYSA-N 341.392 4.682 5 40 EJBB Cc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 258367 PUJRMCZOPRZSJM-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB O=C(Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 5670409 RZEHJMLOGBOKCD-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)C(=O)CC1(CCCCC1)O2 9135091 ORRVZDFQHQWJIX-UHFFFAOYSA-N 348.398 4.923 5 40 EJBB CC(C)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c2cccnc12 12768418 MDKFNRNFBHAFAH-UHFFFAOYSA-N 335.407 4.554 5 40 EJBB C[C@@H](Sc1nnc(NC(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 32841171 DPBLEZNOHUAWDS-SECBINFHSA-N 338.458 4.510 5 40 EJBB Cc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C 223401188 YTWZUCPBEXMUPD-ZDUSSCGKSA-N 346.814 4.664 5 40 EJBB Cn1c(-c2ccccc2)c([C@@H](C[N+](=O)[O-])c2ccco2)c2ccccc21 141240 QKJOUFGOFKSWSP-KRWDZBQOSA-N 346.386 4.847 5 40 EJBB COc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 5514445 IIFDBXJJIQWUDL-UHFFFAOYSA-N 348.358 4.582 5 40 EJBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Cl)cc2s1 4079344 VNZCQFALQYFMRF-UHFFFAOYSA-N 348.771 4.502 5 40 EJBB Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1 9420064 UIAFTQQGXLNMPB-UHFFFAOYSA-N 344.805 4.834 5 40 EJBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 144759 RCABTWOEVNTODW-IBGZPJMESA-N 342.358 4.584 5 40 EJBB COc1ccc(-c2coc3ccc4ccccc4c3c2=O)cc1OC 1716886 UZROFMZTLFDZLH-UHFFFAOYSA-N 332.355 4.630 5 40 EJBB O=[N+]([O-])c1ccc(OCc2csc(-c3ccco3)n2)c(Cl)c1 25456217 GIHRBKUJYKKSBL-UHFFFAOYSA-N 336.756 4.544 5 40 EJBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc4c5c(cccc35)CC4)oc12 226296038 COAGLPARRMLDTP-UHFFFAOYSA-N 330.343 4.963 5 40 EJBB O=[N+]([O-])c1ccccc1CNC1(c2ccc(Cl)cc2)CCCC1 58329857 PXPAHHDDNFYHFK-UHFFFAOYSA-N 330.815 4.807 5 40 EJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Nc1ccccc1 6399820 GJGJTJIHHHZBED-UHFFFAOYSA-N 348.358 4.695 5 40 EJBB O=C(Nc1ccc(Cl)cc1)n1c2ccccc2c(=O)c2ccccc21 16525194 FPBGAJSQCPKBKG-UHFFFAOYSA-N 348.789 4.888 5 40 EJBB CCCCOc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1797523 QIEVQLDXHCUQKM-UHFFFAOYSA-N 339.347 4.547 5 40 EJBB Cc1c2sc3cc(N(C)C)cc(C)c3nc-2c2ccccc2c1=O 16282040 LOGBJZWKXVOVEH-UHFFFAOYSA-N 334.444 4.597 5 40 EJBB C[N+]1(C)CCC([C@@H]2c3ccccc3CSc3sccc32)CC1 347724 KCYLAVGBMJDDRN-GOSISDBHSA-N 330.542 4.972 5 40 EJBB O=[N+]([O-])c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)s1 65946549 UQKCFNSYYIPYLV-UHFFFAOYSA-N 327.409 4.522 5 40 EJBB CC(C)(C)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 4246582 YQYJNGKHNGBSCR-UHFFFAOYSA-N 349.459 4.743 5 40 EJBB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1(C)C 8306556 GEIMOGDGLAYABJ-CRAIPNDOSA-N 338.407 4.925 5 40 EJBB CC[N+](CC)(CC)CC[N+](CC)(CC)Cc1cc2ccccc2o1 1775599 LESUFLMAUSSDPA-UHFFFAOYSA-N 332.532 4.666 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 59294277 GPFQMWWIJCCXEV-ZRDIBKRKSA-N 348.358 4.815 5 40 EJBB Cc1c(CN[C@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] 89540485 HFVOYRBHRXSRME-SFHVURJKSA-N 330.815 4.798 5 40 EJBB CCCCCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4851911 SGFYWPMCBAQUOS-UHFFFAOYSA-N 343.379 4.773 5 40 EJBB Cc1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 3513948 SPSPISFQZIIIJQ-UHFFFAOYSA-N 344.366 4.612 5 40 EJBB Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 3554051 DSKOVWIIARFKRQ-UHFFFAOYSA-N 348.358 4.948 5 40 EJBB Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1[N+](=O)[O-] 5509342 WSTYRDPSFQOOJN-UHFFFAOYSA-N 348.358 4.948 5 40 EJBB C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(F)c(F)c1 58201823 PRSOBFTVKCFROP-SNVBAGLBSA-N 329.306 4.594 5 40 EJBB Cc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(C)c(C)sc2n1 5429120 BKUWVGCKGFXMFR-UHFFFAOYSA-N 345.449 4.817 5 40 EJBB O=C(NC1CCCCC1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 11689814 BIOKRPZRJXISME-UHFFFAOYSA-N 348.786 4.571 5 40 EJBB CC(=O)Oc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc12 408520 IORREJMDMAZPMP-UHFFFAOYSA-N 330.339 4.539 5 40 EJBB C[C@H](CNc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F 9913858 ZUYDFERMJXOMPJ-LLVKDONJSA-N 346.337 4.555 5 40 EJBB O=C1CC[C@@H](c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 169800387 GCGQYSDXKQVRTK-UKRRQHHQSA-N 329.783 4.869 5 40 EJBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3Cl)o2)c1 19928103 IDPYPPFPGRNDMQ-UHFFFAOYSA-N 347.783 4.591 5 40 EJBB CCOc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 284243 ACXSOPQPDRXFTQ-UHFFFAOYSA-N 346.433 4.896 5 40 EJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 5569187 RDPOTUUBGPQCMK-ZZXKWVIFSA-N 337.162 4.554 5 40 EJBB CN(C)CCC[N@@+]1([O-])c2ccccc2CCc2ccc(Cl)cc21 585136037 UIGJATGQVCHTIR-JOCHJYFZSA-N 330.859 4.527 5 40 EJBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cc(Cl)cc(Cl)c1 4078797 CWHWQKNGQXJUHN-HNQUOIGGSA-N 343.191 4.615 5 40 EJBB O=C(Nc1ccc(F)cc1[N+](=O)[O-])Nc1cccc2ccccc12 19014938 STXXVRCBFDFDLU-UHFFFAOYSA-N 325.299 4.531 5 40 EJBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4cccc(C)c4o3)nc12 57352706 MMZWHTZXEPBCEZ-UHFFFAOYSA-N 340.364 4.706 5 40 EJBB O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(Cl)cc1 70137821 DDYWTAFIVLZXPR-UHFFFAOYSA-N 328.549 4.803 5 40 EJBB O=C(Oc1cccc2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-] 4591828 HKMSBQCARBEQCF-UHFFFAOYSA-N 327.723 4.621 5 40 EJBB CC(=C/C=C/C=C(C)/C=C/C=C(/C)C(=O)O)/C=C/C=C(/C)C(=O)O 5742769 PANKHBYNKQNAHN-RTTSOMOKSA-N 328.408 4.609 5 40 EJBB CCCCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 8102155 AXNRWDDRBAQWFJ-UHFFFAOYSA-N 346.358 4.555 5 40 EJBB CCCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5951234 RDXWCYKJDNTYOF-UHFFFAOYSA-N 342.395 4.806 5 40 EJBB O=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 40839 GOQHOCZTYAECCL-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB O=[N+]([O-])c1cc(CN2CCC(c3cc4ccccc4[nH]3)CC2)cs1 58356194 FANYXAQBSSRBEW-UHFFFAOYSA-N 341.436 4.517 5 40 EJBB CC[N+]1(C)CC[C@H](CN2c3ccccc3Sc3ccccc32)C1 1726989 CDCAQJIIFKWMHT-XESZBRCGSA-N 325.501 4.776 5 40 EJBB Cc1ccc(OC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 272981 XAVKBZYPNPFQRS-UHFFFAOYSA-N 337.331 4.691 5 40 EJBB Cc1ccc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1C 8319653 BXQCPGSAUOOUQF-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB CCCCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 5951250 COGHYXPRHJPJRA-UHFFFAOYSA-N 342.395 4.806 5 40 EJBB CN(C(=S)Nc1cc2cccnc2c2ncccc12)c1ccccc1 6570692 FDRSSZVUVOCBQQ-UHFFFAOYSA-N 344.443 4.616 5 40 EJBB Cc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2cc1C 69239 LTDIXYZHOBMHDF-UHFFFAOYSA-N 339.420 4.756 5 40 EJBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 17071497 HAUGUTQIZLELCO-UHFFFAOYSA-N 342.207 4.711 5 40 EJBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(Br)cc3)oc2c1 226249764 HSLQDKYOEQBKMU-FPYGCLRLSA-N 345.152 4.669 5 40 EJBB C[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 25158223 OYISQWIGECEWSC-HNNXBMFYSA-N 336.391 4.576 5 40 EJBB S=C(Nc1ccccc1)Nc1ccc2nc3ccccc3nc2c1 106109916 BSROBAAGFNIZGQ-UHFFFAOYSA-N 330.416 4.592 5 40 EJBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 44087594 BBZZWVHUZWOUGA-UHFFFAOYSA-N 345.811 4.823 5 40 EJBB O=[N+]([O-])c1cccc(F)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250495 VEDWJEXSZCHFFQ-UHFFFAOYSA-N 337.175 4.823 5 40 EJBB Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 10111780 ICCYSBSHQONVBW-CQSZACIVSA-N 340.423 4.692 5 40 EJBB COc1cccc(NCc2cc(=O)oc3ccc4ccccc4c23)c1 6510139 ATJOKSFOLYVPSV-UHFFFAOYSA-N 331.371 4.567 5 40 EJBB Cc1noc(/C=C/Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 100151953 HJOZLTVEOSODMU-VAWYXSNFSA-N 337.335 4.766 5 40 EJBB CN(C(=S)Nc1ccc2nc3ccccc3nc2c1)c1ccccc1 107848574 UNAKYGHFAZIKGC-UHFFFAOYSA-N 344.443 4.616 5 40 EJBB Cc1c(NC(=S)Nc2ccccc2C(C)C)cccc1[N+](=O)[O-] 5939847 QGJSTXVEZFNOHY-UHFFFAOYSA-N 329.425 4.836 5 40 EJBB Fc1ccccc1NC(=S)Nc1cc2cccnc2c2cccnc12 6816053 IFOANDMPWJNMPY-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2Cl)c2nonc12 168593 WUIBJAYYBXKKCU-UHFFFAOYSA-N 342.163 4.589 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc2c(Cl)cccc12 14258290 VXWAHXPARUPPNV-UHFFFAOYSA-N 326.739 4.654 5 40 EJBB Cc1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1 408975030 ISSUAESMBXAFJQ-UHFFFAOYSA-N 328.375 4.735 5 40 EJBB COc1ccc([N+](=O)[O-])cc1NC(c1ccccc1)c1ccccc1 3371195 JAEOKCYXDIYXDN-UHFFFAOYSA-N 334.375 4.805 5 40 EJBB Cc1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 10325200 WRLKIGMINNMSHQ-UHFFFAOYSA-N 340.423 4.772 5 40 EJBB COc1c(Cl)cc(Cl)cc1-c1nc2cc([N+](=O)[O-])ccc2o1 216732026 RUGDBOWWHMJMAI-UHFFFAOYSA-N 339.134 4.718 5 40 EJBB O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 60801 PMZUQRFYRUKRIA-UHFFFAOYSA-N 346.386 4.756 5 40 EJBB O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c1 17324647 FETZEIYXNALZIL-NRFANRHFSA-N 343.386 4.951 5 40 EJBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCc1ccco1 19791735 OEQDHYBEYXRXKK-UHFFFAOYSA-N 346.386 4.770 5 40 EJBB COc1cccc(COc2cc(C)c3c(c2)oc(=O)c2ccccc23)c1 488436 HRPUSJSBYAVLLA-UHFFFAOYSA-N 346.382 4.842 5 40 EJBB biogenic Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-] 2761486 FQNBDPMTIZZDLI-UHFFFAOYSA-N 348.358 4.948 5 40 EJBB CCc1cc([N+](=O)[O-])cc(Br)c1N1[C@H](C)CCC[C@H]1C 226315685 FQONBGBNSZVLRQ-GHMZBOCLSA-N 341.249 4.687 5 40 EJBB O=[N+]([O-])c1cccc(-c2nc3ccccc3c3nc4ccccc4n23)c1 548750 HGIPCKNXXIJJFP-UHFFFAOYSA-N 340.342 4.611 5 40 EJBB O=C(Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1Cl 5521393 PSZVCIIHQZOVKP-UHFFFAOYSA-N 326.739 4.654 5 40 EJBB O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 48038879 SVBKAAMYJVDUTR-FQEVSTJZSA-N 336.366 4.613 5 40 EJBB CCOc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1689070 SSIUMHBXSUJTMW-UHFFFAOYSA-N 327.258 4.805 5 40 EJBB O=c1[nH]c2nc(-c3cccs3)cc(C(F)(F)F)c2c2ccccc12 12562849 AMYLUHRJHYOCTA-UHFFFAOYSA-N 346.333 4.824 5 40 EJBB O=[N+]([O-])c1ccc(CSCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16401870 LVKLVROASYACBF-UHFFFAOYSA-N 338.772 4.590 5 40 EJBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 6595525 BJJQQBRHOITYDF-UHFFFAOYSA-N 349.342 4.744 5 40 EJBB COc1ccc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc1OC 2566082 HZACSJPHOPKIHC-UHFFFAOYSA-N 332.355 4.630 5 40 EJBB biogenic Cc1nc2sc3c(ncn4c5ccccc5nc34)c2c(C)c1Cl 92331 IVXVPAOQEDYHLD-UHFFFAOYSA-N 338.823 4.916 5 40 EJBB Cc1c(C(=O)OCc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 515378 JVNXEOMSJGVTGS-UHFFFAOYSA-N 327.380 4.558 5 40 EJBB Cc1ccc2oc(Nc3nc4c([N+](=O)[O-])cc(C)cc4s3)nc2c1 57352616 AFLFMOOWYQLBFG-UHFFFAOYSA-N 340.364 4.706 5 40 EJBB O=[N+]([O-])c1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)cc1F 1504250186 CHSNEIZKUNSBDD-UHFFFAOYSA-N 337.175 4.823 5 40 EJBB O=[N+]([O-])c1cc(N(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 1686662 SFKNRFAVFHJRTI-UHFFFAOYSA-N 335.319 4.973 5 40 EJBB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 2622239 PZXAPZMPOJKIQI-VIFPVBQESA-N 339.178 4.644 5 40 EJBB Cc1cc2nc3c4ccccc4n(Cc4ccncc4)c3nc2cc1C 9423624 TXYQBLOVIPFVFV-UHFFFAOYSA-N 338.414 4.798 5 40 EJBB O=C(c1ccc([N+](=O)[O-])cc1)c1sc(Cl)c(Cl)c1Cl 4792686 JXGRTXAZEDYRQD-UHFFFAOYSA-N 336.583 4.848 5 40 EJBB Cc1c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 13675004 WZOURLVHCJENBS-CQSZACIVSA-N 340.423 4.692 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409257710 UMMCIVGRLLJGEN-QGOAFFKASA-N 348.358 4.676 5 40 EJBB O=c1oc2ccccc2c(Nc2cccc3ccccc23)c1[N+](=O)[O-] 17122449 RVXDCCXHPUPBRH-UHFFFAOYSA-N 332.315 4.598 5 40 EJBB Nc1cccc(C(=O)OCc2c3ccccc3cc3ccccc23)c1 216869907 IGVLYNIRYGNYIN-UHFFFAOYSA-N 327.383 4.932 5 40 EJBB CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3sc2c1 16678672 BZMBEOMEONTPFN-UHFFFAOYSA-N 334.444 4.761 5 40 EJBB O=c1cc(-c2ccc3c(c2)OCCCO3)oc2c1ccc1ccccc12 518799 LLHBDIAOJJINAC-UHFFFAOYSA-N 344.366 4.775 5 40 EJBB CC(C)(C)CC(C)(C)Nc1c([N+](=O)[O-])c(=O)sc2ccccc12 4593976 CDHBPCMYZCMSBN-UHFFFAOYSA-N 334.441 4.796 5 40 EJBB Cc1ccc(OCc2csc(Cc3ccccc3)n2)c([N+](=O)[O-])c1 31652958 ZGXHMBAMDOZOSU-UHFFFAOYSA-N 340.404 4.530 5 40 EJBB O=[N+]([O-])c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)cc1 5010055 DJJXFCMIXFLLIK-UHFFFAOYSA-N 343.342 4.997 5 40 EJBB CC(C)(Br)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1689002 NJUCDLYCUJWUOA-UHFFFAOYSA-N 348.196 4.618 5 40 EJBB Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 10111740 QTIFZUGCUUPRMA-CQSZACIVSA-N 340.423 4.692 5 40 EJBB O=C(Nc1ccccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 537978 CRGIQYAYJHAAHC-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB O=[N+]([O-])c1cccc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1 1316659 NWEPEEUHKIQIGL-UHFFFAOYSA-N 348.406 4.950 5 40 EJBB CC(C)N(C(=S)Nc1cc2cccnc2c2cccnc12)C(C)C 6159765 BPSFOIICSICDLR-UHFFFAOYSA-N 338.480 4.599 5 40 EJBB [O-][n+]1c(-c2cccs2)n(O)c2c3ccccc3c3ccccc3c21 6476551 FXMBUIHCDDPRNL-UHFFFAOYSA-N 332.384 4.547 5 40 EJBB CC(C)n1ncc2c(-c3ccco3)c3oc4cc(O)ccc4c3nc21 96115283 QWERGWWWVAJLNY-UHFFFAOYSA-N 333.347 4.877 5 40 EJBB biogenic O=C(Nc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl 5665089 BWAZHNWZEVIGBV-UHFFFAOYSA-N 348.771 4.502 5 40 EJBB O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 57292078 RTPINXTVHBPRKJ-MRXNPFEDSA-N 339.420 4.542 5 40 EJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1 3279805 ZTJSXFYOPZWEMF-UHFFFAOYSA-N 349.342 4.744 5 40 EJBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2cccs2)no1 6868034 DWXFANNLQSJGMV-UHFFFAOYSA-N 346.367 4.725 5 40 EJBB CC(=C/C=C/C=C(C)\C=C\C=C(\C)C(=O)O)/C=C/C=C(/C)C(=O)O 33985645 PANKHBYNKQNAHN-JTBLXSOISA-N 328.408 4.609 5 40 EJBB Cc1ccc(C(C)C)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 3278985 ZWSJPHQFKNTARL-UHFFFAOYSA-N 333.771 4.899 5 40 EJBB O=C(Nc1ccc(Cl)cc1)c1cccc2nc3ccccc3nc12 4257426 TUXUIBPTGCOMQV-UHFFFAOYSA-N 333.778 4.689 5 40 EJBB Cc1cccc(C)c1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6234494 OLEWDFPWZLVHHJ-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB Cc1c(NC(=O)CCc2cccc3ccccc23)cccc1[N+](=O)[O-] 222667576 NVDHDCGBCSMMHM-UHFFFAOYSA-N 334.375 4.628 5 40 EJBB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 223394245 YRXKWTCHECPLFY-ZDUSSCGKSA-N 346.814 4.664 5 40 EJBB CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217873467 BRCIKJSVCGHQHY-MRXNPFEDSA-N 346.814 4.746 5 40 EJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Cl 161761 CFVUUXWNWGXXLW-UHFFFAOYSA-N 326.139 4.546 5 40 EJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl 258879 QXCALDNRKCSDJC-BQYQJAHWSA-N 337.162 4.554 5 40 EJBB CC(C)c1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 4348602 AHDYZTRVGSZMEX-UHFFFAOYSA-N 341.392 4.580 5 40 EJBB CCCCOc1ccccc1[C@H](OCC[N+](C)(C)C)c1ccccc1 4867223 MDPPQETYFYEBMV-JOCHJYFZSA-N 342.503 4.678 5 40 EJBB O=C(Nc1ccc(F)cc1)Nc1cc2cccnc2c2ncccc12 6423066 CEAQQYPMJCIHTH-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB CC(C)(C)c1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 137089 YRUHQOZIEXGHBV-UHFFFAOYSA-N 333.771 4.765 5 40 EJBB Cc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3511312 OPQOIMWOOQUPRB-UHFFFAOYSA-N 344.366 4.612 5 40 EJBB O=[N+]([O-])c1cc(Cl)ccc1OCc1coc(-c2cccc(F)c2)n1 26041142 IGHQJIFLWROCHJ-UHFFFAOYSA-N 348.717 4.621 5 40 EJBB Cc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Br 226248178 VOTCVPCZINKEPN-UHFFFAOYSA-N 347.168 4.782 5 40 EJBB Cc1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1 408976771 TUOBHTIPNARHMN-UHFFFAOYSA-N 344.443 4.900 5 40 EJBB Cc1ccc(-c2n(O)c3c4ccccc4c4ccccc4c3[n+]2[O-])cc1 6503626 KJSCSQUUUKZESU-UHFFFAOYSA-N 340.382 4.794 5 40 EJBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)c(C)c1 218121193 BOFOJKHRPYICRS-KRWDZBQOSA-N 346.814 4.746 5 40 EJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)oc1ccccc12 223444655 GSNKPBXJYIRATB-UHFFFAOYSA-N 346.342 4.675 5 40 EJBB O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c2ccncc12 6510452 AEBRFZRZBOBXQX-UHFFFAOYSA-N 334.253 4.954 5 40 EJBB Cc1cc([N+](=O)[O-])sc1N1CCC(c2cc3ccccc3[nH]2)CC1 58543415 SNZNXOUDCHNZQL-UHFFFAOYSA-N 341.436 4.830 5 40 EJBB Cc1cc(OCC(=O)c2ccccc2)cc2oc(=O)c3ccccc3c12 4747442 ORMSPTINNWGSKQ-UHFFFAOYSA-N 344.366 4.516 5 40 EJBB CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])c4cnccc34)c2O1 6083506 SDPQFDKYYRXINX-UHFFFAOYSA-N 336.347 4.649 5 40 EJBB O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 22058157 MZBPNLJSBDHXTC-UHFFFAOYSA-N 335.319 4.973 5 40 EJBB in-vitro O=C(Oc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-] 4591344 XEVXPSZBNCMIDV-UHFFFAOYSA-N 327.723 4.621 5 40 EJBB O=C(NCCC1=CCCCC1)Nc1cc2cccnc2c2cccnc12 408975549 MVDDNILBBUKQOT-UHFFFAOYSA-N 346.434 4.795 5 40 EJBB O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccccc1Cl 340249 FPABEHIRRPWJSB-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 408585416 DDKMYTABLZCBCZ-UHFFFAOYSA-N 348.786 4.679 5 40 EJBB CN(C)CCC[N@+]1([O-])c2ccccc2CCc2ccc(Cl)cc21 585136043 UIGJATGQVCHTIR-QFIPXVFZSA-N 330.859 4.527 5 40 EJBB O=[N+]([O-])c1ccc(N[C@H](c2ccccn2)c2c[nH]c3ccccc23)cc1 4058917 RXEVGBKQCCLCDV-FQEVSTJZSA-N 344.374 4.673 5 40 EJBB O=C(O)c1ccccc1C(=O)c1c2ccccc2cc2ccccc12 311981 MOQVWBBLSOWSJL-UHFFFAOYSA-N 326.351 4.922 5 40 EJBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccccc3)c2)cc1 4682169 LLIZRHMKUACNRX-UHFFFAOYSA-N 334.375 4.786 5 40 EJBB CN(C(=O)c1cc2ccccc2c2cccnc12)c1ccc(F)cc1 55751289 AAETWVINSRHBHP-UHFFFAOYSA-N 330.362 4.804 5 40 EJBB Nc1cc(Cl)c(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 4750887 WRGIZVZQHFVPNV-UHFFFAOYSA-N 333.558 4.930 5 40 EJBB CC[C@@H](CO)Nc1nc2c(Cl)cc(Cl)cc2c2ccccc12 31719280 PZYZKUHQNWIGGY-NSHDSACASA-N 335.234 4.878 5 40 EJBB C[N+]1([C@@H]2CCCSc3ccccc32)CCN(c2ccccc2)CC1 347389 FATORMISDFPZFV-HXUWFJFHSA-N 339.528 4.580 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 1677205 FEQRCTGXGBJKFB-UHFFFAOYSA-N 329.095 4.602 5 40 EJBB S=C(Nc1ccccc1)Nc1cc2ncccc2c2cccnc12 408975589 NOFQXBPLAXTYJI-UHFFFAOYSA-N 330.416 4.592 5 40 EJBB C[C@H]1CCCCN1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59843402 ZGDBKOZTQVEFSM-NSHDSACASA-N 348.786 4.523 5 40 EJBB CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C(C)C 79481822 WHPQKLGAXOYQLC-UHFFFAOYSA-N 339.395 4.521 5 40 EJBB Cc1cccc(C)c1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 69600029 HMTJFWIQVXAHNH-UHFFFAOYSA-N 341.411 4.654 5 40 EJBB CC(C)N(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)C(C)C 484871 WSYWTUBOWGOMKG-UHFFFAOYSA-N 340.832 4.722 5 40 EJBB CC(=O)c1c(C)[nH]c(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C 55050730 IPGYHYYYBRIMJV-UHFFFAOYSA-N 341.392 4.533 5 40 EJBB O=[N+]([O-])c1cccc(Cc2nc3ccccc3nc2-c2ccccc2)c1 1754459 OVBYMHWXDMKPBS-UHFFFAOYSA-N 341.370 4.796 5 40 EJBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(F)cc1 5033376 PXMCGZVNOUFWHF-UHFFFAOYSA-N 340.310 4.555 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl 6938159 ONABJRLDWSZBQA-UHFFFAOYSA-N 326.139 4.546 5 40 EJBB O=[N+]([O-])c1cccc2nc(/C=C/c3ccccc3OC(F)F)ccc12 5156059 MGSZJBQJVCGODS-CMDGGOBGSA-N 342.301 4.915 5 40 EJBB CCOc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Cl 216731051 KNNJCFGWSFBCTM-UHFFFAOYSA-N 332.743 4.764 5 40 EJBB Cc1c(OC(=O)c2cccs2)ccc2c1oc(=O)c1ccccc12 11692228 KOTJQIBXIKZSNJ-UHFFFAOYSA-N 336.368 4.535 5 40 EJBB Cc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1 59474336 ZFJPIMPWOZBMKS-UHFFFAOYSA-N 328.367 4.680 5 40 EJBB Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 409180280 VUHBQVBUZREXGO-UHFFFAOYSA-N 347.370 4.850 5 40 EJBB CC(C)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 4348303 SCUQUBXYNZSCTM-UHFFFAOYSA-N 341.392 4.580 5 40 EJBB CCN=c1cc2oc3cc(NCC)c(C)cc3nc-2c2ccccc12 12405226 UIFOTNODQJSLTF-UHFFFAOYSA-N 331.419 4.747 5 40 EJBB Cc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5711979 OXCIXMIYOVDVOP-UHFFFAOYSA-N 348.358 4.948 5 40 EJBB CC(C)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 211407 LFGFJHYYQCTYGA-UHFFFAOYSA-N 341.410 4.628 5 40 EJBB CC(C)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1284168 WHJKLJNBVPHALD-UHFFFAOYSA-N 341.392 4.580 5 40 EJBB Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 5363282 WRCTUTFOTMLFHE-UHFFFAOYSA-N 349.394 4.513 5 40 EJBB O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c1 15452136 CEGQFJXZJQMEGP-MRXNPFEDSA-N 339.420 4.542 5 40 EJBB O=Cc1c2ccccc2c(Sc2cccc[n+]2[O-])c2ccccc12 165637 JZPQWOQCZPHXRN-UHFFFAOYSA-N 331.396 4.590 5 40 EJBB COc1ccccc1[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8132113 KPTRIQVGZMHOBE-JTQLQIEISA-N 340.301 4.795 5 40 EJBB Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 90632 MUXPMDIBABNGOE-ZRDIBKRKSA-N 348.358 4.815 5 40 EJBB O=[N+]([O-])c1cc(CN2CCC[C@H]2Cc2ccccc2Cl)cs1 84502443 RHFABOQKNRUPDE-AWEZNQCLSA-N 336.844 4.517 5 40 EJBB CCCCc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 226762398 BMZQQAGOVPRKET-UHFFFAOYSA-N 326.396 4.622 5 40 EJBB C[C@@H]([C@@H](O)c1ccccc1)[N+]1(C)Cc2ccccc2-c2ccccc2C1 2159489 TXHDLAJCZMAFEG-MHECFPHRSA-N 344.478 4.936 5 40 EJBB Cc1c(NC(=O)c2cc(Cl)sc2Cl)cccc1[N+](=O)[O-] 25012519 RVVKWOSSXWVUOC-UHFFFAOYSA-N 331.180 4.524 5 40 EJBB O=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] 6927542 DUOAGJPKRHIOCZ-UHFFFAOYSA-N 333.347 4.965 5 40 EJBB CCCC(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 72229035 OWVXZRNWXFTMLB-UHFFFAOYSA-N 339.823 4.731 5 40 EJBB C[C@@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2ccccc12 5354538 GUUUZBAEQWWJRV-INIZCTEOSA-N 340.426 4.749 5 40 EJBB O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccccc32)c2ccncc12 6820084 XLYFLNZEILAIER-INIZCTEOSA-N 337.404 4.792 5 40 EJBB Fc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1 408977159 UQKCIKHZUDMBKY-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1094762 FBGZFORUXOIKMY-HNNXBMFYSA-N 348.324 4.904 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c(Cl)cccc12 14258349 AAIDSLGAZSETOV-UHFFFAOYSA-N 340.766 4.962 5 40 EJBB O=C(Nc1ccc(F)cc1)Nc1cc2ccncc2c2ncccc12 408975063 JLYQMUGVFDLYFU-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB CC(C)C(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 45891819 PJAJGVVVKYDQSC-UHFFFAOYSA-N 339.823 4.587 5 40 EJBB O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccncc12 66111489 FDLMFILSLBXXIV-UHFFFAOYSA-N 349.777 4.878 5 40 EJBB O=[N+]([O-])c1ccc(C23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 100400508 ZTTYOYSLNBHBFP-RBAVJSINSA-N 336.229 4.580 5 40 EJBB CC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 132908 DSHDOBQVSBMJGA-UHFFFAOYSA-N 340.162 4.683 5 40 EJBB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4154815 IUSCCXWHYFHYPO-CQSZACIVSA-N 326.396 4.536 5 40 EJBB Cc1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1 6477022 NNTKGNYTPGUXEZ-UHFFFAOYSA-N 328.375 4.735 5 40 EJBB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 253778 HLBRDTZRQRHANV-BJMVGYQFSA-N 328.343 4.509 5 40 EJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1ccccc1 5902916 WTSSNBKRGNBONI-BUHFOSPRSA-N 344.370 4.914 5 40 EJBB CC(C)c1ccccc1O[C@@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 76555404 YGBPOIANZICHSA-LBPRGKRZSA-N 325.368 4.735 5 40 EJBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1C 218121415 NJAWVZDQXMKQPW-KRWDZBQOSA-N 346.814 4.746 5 40 EJBB O=C1CC2(CCCCC2)Oc2cc3oc(=O)c4ccccc4c3cc21 4084783 NMYSGIRQVNVACS-UHFFFAOYSA-N 334.371 4.614 5 40 EJBB biogenic Cc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1 408975936 NVHAJLSEXZVSHT-UHFFFAOYSA-N 344.443 4.900 5 40 EJBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1 3066231 YMEWHOAJLHFLBF-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1ccccc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)oc1C 7813367 CMEUMFYTGPSUTC-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1cccc([N+](=O)[O-])c1 24270408 AJQFEBNKQCMOEK-NSHDSACASA-N 343.383 4.977 5 40 EJBB CCCOc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1 72228718 LNZCMCJWXCIOCE-UHFFFAOYSA-N 342.395 4.507 5 40 EJBB COc1c(Cl)cc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Cl 226239729 QRZZWYGKQXHQAQ-UHFFFAOYSA-N 339.134 4.718 5 40 EJBB Cc1noc(/C=C\c2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] 408541815 FZDXSFZHSFIUQL-XFXZXTDPSA-N 336.347 4.641 5 40 EJBB COc1ccccc1C(=O)OCc1nc2ccccc2c2ccccc12 6607782 NPCJCAIJZUJKOL-UHFFFAOYSA-N 343.382 4.754 5 40 EJBB Cc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 223401048 BCZNELJBGSYFIO-ZDUSSCGKSA-N 346.814 4.664 5 40 EJBB Cc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1Cl 408966392 MMNVUOOATWGELY-UHFFFAOYSA-N 330.727 4.555 5 40 EJBB Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] 290830 IYLRDYCJHQYVQE-UHFFFAOYSA-N 344.370 4.727 5 40 EJBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 6326926 QXKJGXJTIQFAON-UHFFFAOYSA-N 347.783 4.591 5 40 EJBB Cc1ccc(Sc2ccc(CN3CCCC3)cc2[N+](=O)[O-])cc1 1406219 DKEZYKPYNGDETM-UHFFFAOYSA-N 328.437 4.650 5 40 EJBB O=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)c([N+](=O)[O-])c1 3079952 IGGMHUBJZROFRV-UHFFFAOYSA-N 326.333 4.807 5 40 EJBB O=[N+]([O-])c1ccc(N2CCCC2)cc1NC12CC3CC(CC(C3)C1)C2 4663133 VEJAOIVWWHKONM-UHFFFAOYSA-N 341.455 4.576 5 40 EJBB CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl 408556727 KFKHTGYMHOGUSQ-UHFFFAOYSA-N 341.194 4.912 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CC/C=C/CC/C=C/CC[C@@H]12 33417725 TVPSUVVLKOFAJS-SWYJUGLSSA-N 340.423 4.862 5 40 EJBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)cc1 68838075 RUBWJWPCHRARKK-HNNXBMFYSA-N 325.393 4.546 5 40 EJBB CC(=O)c1cccc(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c1 1689777 DFMMIYLMKLYFNT-UHFFFAOYSA-N 325.242 4.609 5 40 EJBB COc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 45206857 YAWHEBWADMPPSV-UHFFFAOYSA-N 332.406 4.505 5 40 EJBB O=C(O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(-c2ccccc2)cc1 6605692 COWFYVYLKNQTHY-DHZHZOJOSA-N 346.342 4.525 5 40 EJBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Cl)cccc12 9141714 PELWVDSJVSDQHQ-UHFFFAOYSA-N 344.729 4.793 5 40 EJBB Cc1cccc(Oc2c(F)cc(C(F)(F)F)cc2F)c1[N+](=O)[O-] 1504250500 WNOIRPHPSFXVQS-UHFFFAOYSA-N 333.212 4.993 5 40 EJBB Cc1nc(Oc2ccccc2[N+](=O)[O-])c2c3c(sc2n1)CCCC3 1098252 RYMVUQHCNCEXCW-UHFFFAOYSA-N 341.392 4.579 5 40 EJBB O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1nc2ccccc2s1 15168729 OYPDCXIQJNCENU-AWEZNQCLSA-N 343.383 4.685 5 40 EJBB O=[N+]([O-])c1ccc(-n2nc(-c3ccco3)cc2-c2ccccc2)cc1 37902 OLMYNLUPLAZPQF-UHFFFAOYSA-N 331.331 4.708 5 40 EJBB Cc1ccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5633880 DOGUIWZCJQIVLZ-UHFFFAOYSA-N 348.358 4.948 5 40 EJBB Cc1cccc(NC(=O)c2cccc3nc4ccccc4nc23)c1C 12277018 GCBNHVRADXQGPB-UHFFFAOYSA-N 327.387 4.652 5 40 EJBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CC/C=C\CC/C=C\CC[C@@H]12 33417724 TVPSUVVLKOFAJS-GDGKYFCWSA-N 340.423 4.862 5 40 EJBB Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1 255382 XTHCAVSROMSUQZ-UHFFFAOYSA-N 348.358 4.948 5 40 EJBB Cc1nc(Nc2ccccc2C)c([N+](=O)[O-])c(Nc2ccccc2C)n1 5390651 XZQIHBXAYAJVHL-UHFFFAOYSA-N 349.394 4.797 5 40 EJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(C(C)C)cc1 45888552 JXARUGRSHAUDHZ-UHFFFAOYSA-N 326.396 4.841 5 40 EJBB CC(C)(C)c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 143358 DUMBBJIQSIKIIL-KPKJPENVSA-N 325.364 4.511 5 40 EJBB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] 288663 HSCWRZSWUGFJNV-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)c(Br)c1 1406355 WWXQFGUTJHFRGU-UHFFFAOYSA-N 328.549 4.803 5 40 EJBB C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2648358 NGSDUCKIGINBOY-SECBINFHSA-N 339.178 4.644 5 40 EJBB CN(Cc1ccc(F)cc1)Cc1cc(=O)oc2ccc3ccccc3c12 57553162 GPWSGGWYYHQEEY-UHFFFAOYSA-N 347.389 4.717 5 40 EJBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3Cl)no2)c1 13921127 NVPDLJICXWRFJX-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB O=C(Nc1ccccc1F)Nc1cc2ccncc2c2ncccc12 408977672 XEACCUCKADBGKP-UHFFFAOYSA-N 332.338 4.566 5 40 EJBB C[C@@H]1Cc2ccccc2N1Cc1cc(=O)oc2ccc3ccccc3c12 3390326 IGPDPYZBYVXJGX-OAHLLOKOSA-N 341.410 4.897 5 40 EJBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)cc1 157688 ZGKOIRHTUAXYBD-UNXLUWIOSA-N 337.162 4.554 5 40 EJBB C[C@H](SC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6510761 NTPYQNNPQXBXAJ-JTQLQIEISA-N 342.848 4.641 5 40 EJBB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 59477504 MZUZREQVZAHDRB-ZRDIBKRKSA-N 334.331 4.507 5 40 EJBB O=[N+]([O-])c1cccc(-c2nnc3c4ccccc4c4ccccc4n23)c1 342953 LYGRIPCROHYTCV-UHFFFAOYSA-N 340.342 4.611 5 40 EJBB Cc1cccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1 2159526 MGCDRAFHPDEFNG-UHFFFAOYSA-N 343.382 4.611 5 40 EJBB biogenic CCc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 539402 QFDFYVAREWAPHR-UHFFFAOYSA-N 336.347 4.670 5 40 EJBB [O-][n+]1c(-c2cccc(F)c2)n(O)c2c3ccccc3c3ccccc3c21 6941900 SJGIXYMYVGLORA-UHFFFAOYSA-N 344.345 4.625 5 40 EJBB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 562693 SOEPYRUUDYIZPR-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 3206094 XBQZWFCWPRCJNB-INIZCTEOSA-N 348.324 4.675 5 40 EJBB O=[N+]([O-])c1c(N2CCC(c3ccccc3)CC2)ccc2ncccc12 84525561 QELCQEPGLWUDLE-UHFFFAOYSA-N 333.391 4.527 5 40 EJBB CCCCOc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624373 ZTAZJIQRHJAGQU-UHFFFAOYSA-N 342.398 4.771 5 40 EJBB biogenic O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2cc3ccccc3o2)nc1 13022606 KFBDATODSOTXCJ-HXUWFJFHSA-N 345.358 4.938 5 40 EJBB C[C@@H]1CCCCN1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59843400 ZGDBKOZTQVEFSM-LLVKDONJSA-N 348.786 4.523 5 40 EJBB Cc1c([C@H](O)c2ccc3c(c2)oc2ccccc23)cccc1[N+](=O)[O-] 226297074 FORJKIJCQHKBFD-HXUWFJFHSA-N 333.343 4.884 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C(F)(F)F 1753316 IQJYUBPCIKSZSC-UHFFFAOYSA-N 339.273 4.566 5 40 EJBB O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 6221045 FNMBCRZEKUTCPK-QPEQYQDCSA-N 338.146 4.527 5 40 EJBB Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 5618327 JYZIEGWQVITACY-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB Cc1ccc(-c2csc(NC(=O)CC3CCCC3)n2)cc1[N+](=O)[O-] 89652170 XFCITURORXNMBP-UHFFFAOYSA-N 345.424 4.546 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 16399923 BTYBMXAKXSOXGY-UHFFFAOYSA-N 326.139 4.546 5 40 EJBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 17299386 VCXMBIHSCGPENR-KFNAQCHYSA-N 339.819 4.866 5 40 EJBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(F)cc1 6243714 MWXLMLJPMKRHAM-UHFFFAOYSA-N 349.386 4.806 5 40 EJBB COc1cc2c(cc1CN(C)C)[nH]c1c3ccc(Cl)cc3ncc21 1582295 WZQGNFFKNNTZGM-UHFFFAOYSA-N 339.826 4.593 5 40 EJBB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 2622240 PZXAPZMPOJKIQI-SECBINFHSA-N 339.178 4.644 5 40 EJBB C[C@H]1CCC[C@H](C)N1c1c(Cl)cc([N+](=O)[O-])cc1Br 226316627 CUPSDOGDPQWKAO-IUCAKERBSA-N 347.640 4.778 5 40 EJBB Cc1cccc([N+](=O)[O-])c1NC(=O)Nc1ccc(Cl)c(Cl)c1 5218674 GMZZQLCTLPGUKY-UHFFFAOYSA-N 340.166 4.854 5 40 EJBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 19928726 CURVTBDYOCIACN-UHFFFAOYSA-N 347.783 4.591 5 40 EJBB O=[N+]([O-])c1ccc(Nc2cccc(COC3CCCCC3)c2)nc1 84374490 AQTMATRMDVHXGF-UHFFFAOYSA-N 327.384 4.583 5 40 EJBB CCSc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20493709 BTLBYDFLRUPYQT-UHFFFAOYSA-N 336.800 4.613 5 40 EJBB O=[N+]([O-])c1ccc2c(CSc3nc4ccccc4o3)c[nH]c2c1 59472548 DLAMEZMBMKQIBO-UHFFFAOYSA-N 325.349 4.510 5 40 EJBB O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624995 WKOOMSAOFSUIIH-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB C[n+]1c2ccccc2c(C(=O)Oc2ccc(Cl)cc2)c2ccccc21 5211959 BLDFGMRDAJOHNC-UHFFFAOYSA-N 348.809 4.690 5 40 EJBB CCc1cc([N+](=O)[O-])cc2nc(-c3cccc(Br)c3)oc12 73642568 VNRKEOCPVWODNB-UHFFFAOYSA-N 347.168 4.728 5 40 EJBB O=C1OC(c2ccco2)=N/C1=C/c1c2ccccc2cc2ccccc12 205645075 IRQYXRMRLMEZDF-CPNJWEJPSA-N 339.350 4.931 5 40 EJBB CSc1ccc(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C 1640278 WLXGHMQQNCHSCD-UHFFFAOYSA-N 332.381 4.544 5 40 EJBB CCN(CC)CCCCCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 5640756 UTEFSMQKPLJNRO-UHFFFAOYSA-N 348.274 4.826 5 40 EJBB CN(C(=S)Nc1cc2ccncc2c2ncccc12)c1ccccc1 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C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2648357 NGSDUCKIGINBOY-VIFPVBQESA-N 339.178 4.644 5 40 EJBB CC(C)c1nc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2o1 32826241 VRYVLAABWARINS-UHFFFAOYSA-N 340.339 4.503 5 40 EJBB O=[N+]([O-])c1ccccc1OCc1nc2ccccc2c2ccccc12 7779939 BAXCPEQJJRKLQM-UHFFFAOYSA-N 330.343 4.875 5 40 EJBB Cc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])c1 26108629 ZTMVECKKOGWYJM-UHFFFAOYSA-N 344.754 4.791 5 40 EJBB C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4702266 QWFBYWVZTWTDGR-IWERZKIRSA-N 345.399 4.520 5 40 EJBB Fc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1 408977533 WNABSFXENWYTCN-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB Cc1nc2c(sc(=S)n2-c2ccccc2)c2nc3ccccc3n12 13216704 XENORUDXDLKIQI-UHFFFAOYSA-N 348.456 4.926 5 40 EJBB O=[N+]([O-])c1ccc(Oc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 1596278 LUAZMTADRNBITK-UHFFFAOYSA-N 336.303 4.962 5 40 EJBB O=[N+]([O-])c1c(Nc2ccccc2)n(-c2ccccc2)c2ccc(O)cc12 5486645 QPHFLDSYJWHBBB-UHFFFAOYSA-N 345.358 4.988 5 40 EJBB Cc1cc(=O)oc2c(C)c(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 7979277 ZRQZWPWIFXXOPP-UHFFFAOYSA-N 345.738 4.764 5 40 EJBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1[N+](=O)[O-] 4853208 MGIFWMLOXBQQLL-UHFFFAOYSA-N 332.315 4.747 5 40 EJBB CC(C)c1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n12 5208900 RZIUTXRMZKIWNP-UHFFFAOYSA-N 345.427 4.734 5 40 EJBB CCc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6169012 ZPGZRRMUMCINAT-UHFFFAOYSA-N 336.347 4.670 5 40 EJBB O=[N+]([O-])/C=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32116870 MTANSYMJJRRVGX-FPLPWBNLSA-N 336.756 4.647 5 40 EJBB CC(C)OC(=O)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 70462657 PVENTJJLEWYZKY-UHFFFAOYSA-N 340.807 4.558 5 40 EJBB O=C(Nc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6885381 CLSXXAHRDZSLDD-UHFFFAOYSA-N 342.738 4.761 5 40 EJBB COc1ccc(CSc2nc3ccccc3s2)cc1[N+](=O)[O-] 33174 AGMOYBSXRXYPHG-UHFFFAOYSA-N 332.406 4.505 5 40 EJBB C[N+]1(C)CCC[C@H](CN2c3ccccc3Sc3ccccc32)C1 5053135 BXIYOSFMJSFGGH-MRXNPFEDSA-N 325.501 4.776 5 40 EJBB CC(=O)c1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1 40105218 DPCMMTVGUGJTGP-UHFFFAOYSA-N 340.382 4.843 5 40 EJBB C[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 6787640 JJQURHSZRVTFTM-LBPRGKRZSA-N 325.393 4.891 5 40 EJBB O=C(Nc1cccc(Cl)c1)c1cccc2nc3ccccc3nc12 9910306 QBJNDERHTPMOEU-UHFFFAOYSA-N 333.778 4.689 5 40 EJBB CCCC[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 20264145 AEZLHBYVACCVRX-UHFFFAOYSA-N 346.926 4.618 5 40 EJBB CC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 225208398 IWTUKIDLSAATDW-UHFFFAOYSA-N 325.151 4.848 5 40 EJBB O=[N+]([O-])c1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1 1504250479 RUQPUDGYQINOKY-UHFFFAOYSA-N 337.175 4.823 5 40 EJBB O=C(c1ccccc1)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1 2036608 YLWJYIVUFNWQDI-IBGZPJMESA-N 332.359 4.631 5 40 EJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 3302602 ANGJDSMQSWARLS-UHFFFAOYSA-N 333.343 4.619 5 40 EJBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])s1 5947534 HOIOOXCYXYYDFN-UHFFFAOYSA-N 340.360 4.701 5 40 EJBB CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 23200100 JWJFSITXIGOHOL-UHFFFAOYSA-N 347.374 4.615 5 40 EJBB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1cccc([N+](=O)[O-])c1 24270404 AJQFEBNKQCMOEK-LLVKDONJSA-N 343.383 4.977 5 40 EJBB O=S(=O)(O)c1ccc2c(Cl)c3ccccc3c(Cl)c2c1 2288277 RHOGWFVXOMXFFW-UHFFFAOYSA-N 327.188 4.547 5 40 EJBB Cc1cccc(NC(=O)c2ccccc2-c2ccccc2[N+](=O)[O-])c1 8473522 UGNFEHBUDBGZIV-UHFFFAOYSA-N 332.359 4.823 5 40 EJBB C[C@@H]1CC(C)(C)C[C@@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)[C@@H]1C 20569298 WZCPBHQNGPQOEP-YRGRVCCFSA-N 344.411 4.574 5 40 EJBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnc2)cc1 5265172 YSDXBEALJYWWDX-GFCCVEGCSA-N 342.786 4.607 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10324546 HJVXYZDOAHEQKL-UHFFFAOYSA-N 340.423 4.772 5 40 EJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(Cl)ccc2o1 19179802 CPYPGVRAGKOLGG-UHFFFAOYSA-N 330.727 4.555 5 40 EJBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1c1cccs1 85636203 RTVFMWXVHZHIDL-CQSZACIVSA-N 345.424 4.642 5 40 EJBB Cc1ccc(COc2ccc(Br)cc2/C=C/[N+](=O)[O-])cc1 107893655 LWAUNBPFRCSVHR-CMDGGOBGSA-N 348.196 4.584 5 40 EJBB O=[N+]([O-])c1cccnc1SCc1nc2ccccc2c2ccccc12 65693094 HAODCSORRYBISK-UHFFFAOYSA-N 347.399 4.984 5 40 EJBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1O[C@H](C)CC 408543974 REDOCGCZSYCFPS-VPUINMBXSA-N 346.383 4.638 5 40 EJBB O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2ccccc2)cc1 1741224 GGAIMIRWBNJNRW-UHFFFAOYSA-N 334.331 4.873 5 40 EJBB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 6948658 CAKOBJCBUJVAGX-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1nc2ccccc2s1 15452186 QJMQRVAGEQTNTA-MRXNPFEDSA-N 339.420 4.542 5 40 EJBB Cc1ccsc1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)s1 84257553 HSQPCLGTZVONKA-UHFFFAOYSA-N 344.461 4.983 5 40 EJBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccc(Cl)c3)no2)c1 89262460 YMHDTJPACAJIAC-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB O=C(OC(c1ccccc1)c1ccccc1)c1csc([N+](=O)[O-])c1 95364986 VNNMYFSQFFXCGD-UHFFFAOYSA-N 339.372 4.603 5 40 EJBB CC(C)(C)OC(=O)Nc1cc(Nc2ccccc2)ccc1[N+](=O)[O-] 2087131344 GPIWSHGUWOVECR-UHFFFAOYSA-N 329.356 4.685 5 40 EJBB CC[C@@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 538356 UONXWKOCJOPFNF-GFCCVEGCSA-N 347.378 4.526 5 40 EJBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 1671053 GZAWDPCKFODLKE-UHFFFAOYSA-N 346.553 4.774 5 40 EJBB CCOC(=O)c1c2c3ccccc3[nH]c2n2c1sc1ccccc12 48229594 WUHPJFLSPYVOLO-UHFFFAOYSA-N 334.400 4.965 5 40 EJBB C[C@H]1[C@H](C)CC(C)(C)C[C@H]1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 245226436 WZCPBHQNGPQOEP-MBNYWOFBSA-N 344.411 4.574 5 40 EJBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087109 NMJJGJOZHAUHDR-UHFFFAOYSA-N 343.383 4.699 5 40 EJBB CC1=CC[C@@H]2CO[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)[C@H]1C2 4950480 ULQYYPQXTLRTOA-FKBYEOEOSA-N 326.504 4.559 5 40 EJBB O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2cccc(Cl)c2)c1 26423045 ICVKXTUHTWEWGX-UHFFFAOYSA-N 331.784 4.763 5 40 EJBB O=[N+]([O-])c1ccccc1CN1CCC[C@H]1c1nc2ccccc2s1 15452187 QJMQRVAGEQTNTA-INIZCTEOSA-N 339.420 4.542 5 40 EJBB CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1C 218125884 ZWELBIBKCFCYGP-KRWDZBQOSA-N 346.814 4.746 5 40 EJBB CC(C)N(C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1)C(C)C 408974552 BJTXSMVDSXTABS-UHFFFAOYSA-N 346.434 4.523 5 40 EJBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 59475069 CFRPIHJGUXJYSG-UHFFFAOYSA-N 336.134 4.619 5 40 EJBB Fc1ccccc1NC(=S)Nc1cc2ncccc2c2cccnc12 408974260 DPMMBWPHYSXDOI-UHFFFAOYSA-N 348.406 4.731 5 40 EJBB CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6439977 HMEYGYDRFJKRBO-UHFFFAOYSA-N 336.800 4.613 5 40 EJBB O=C(CC1CCCC1)OCc1cc(=O)oc2ccc3ccccc3c12 3500289 HXEOYCKIHHPWDR-UHFFFAOYSA-N 336.387 4.570 5 40 EJBB O=C(O)c1cc(-c2ccccc2[N+](=O)[O-])nc2ccc3ccccc3c12 3068108 IBCORTIFDMYQGF-UHFFFAOYSA-N 344.326 4.661 5 40 EJBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1cccc(Cl)c1 6660708 MQZUJHKRNBZFCI-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB Cc1c(NC(=O)c2ccccc2SC(C)C)cccc1[N+](=O)[O-] 8558532 RCWNEOHYXWAHSF-UHFFFAOYSA-N 330.409 4.656 5 40 EJBB CCCCOP(=O)(Nc1ccc([N+](=O)[O-])cc1)OCCCC 5328680 JLYWBUUMFOZMTM-UHFFFAOYSA-N 330.321 4.748 5 40 EJBB Cc1ccc(OCc2nc3ccccc3c3ccccc23)c([N+](=O)[O-])n1 7785758 URXMMQCPLLHNSJ-UHFFFAOYSA-N 345.358 4.579 5 40 EJBB COc1ccccc1[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8132114 KPTRIQVGZMHOBE-SNVBAGLBSA-N 340.301 4.795 5 40 EJBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[N+](=O)[O-] 834090 IPABVJNCYQICCJ-UHFFFAOYSA-N 344.676 4.519 5 40 EJBB C[C@@H]1CCc2c(sc3ncnc(Oc4ccccc4[N+](=O)[O-])c23)C1 3397822 FWKPWDYGXYCVEK-SNVBAGLBSA-N 341.392 4.517 5 40 EJBB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 4754093 ZGQNFGKLXOPYJG-KRXBUXKQSA-N 337.162 4.554 5 40 EJBB CC(C)c1ccc(O[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 76555406 XPQHLHQMJASBNO-LBPRGKRZSA-N 325.368 4.735 5 40 EJBB Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1[N+](=O)[O-] 261738 SKZXOIRAQULZNZ-UHFFFAOYSA-N 346.386 4.750 5 40 EJBB O=C(c1cccs1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 276836 IRESNWNYUKJGMT-UHFFFAOYSA-N 338.388 4.503 5 40 EJBB COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C(C)C)cc1 17072009 MHPNKINVZUPOOY-UHFFFAOYSA-N 345.424 4.536 5 40 EJBB COc1ccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 226297121 BHQZUXFKVYECJS-HXUWFJFHSA-N 349.342 4.585 5 40 EJBB CCCc1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n12 5209258 YUWMYFIBUMUQSH-UHFFFAOYSA-N 345.427 4.563 5 40 EJBB O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2nc3ccccc3o2)cs1 79110790 JXIHIASIDMRKEC-AWEZNQCLSA-N 343.408 4.525 5 40 EJBB O=[N+]([O-])c1ccc(Oc2cncc(-c3ccccc3)c2)c2ncccc12 564763010 DQLWTAGXPOUVPZ-UHFFFAOYSA-N 343.342 4.997 5 40 EJBB O=[N+]([O-])c1ccc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250452 NZNGGKSWKDKVSB-UHFFFAOYSA-N 337.175 4.823 5 40 EJBB CC(=O)c1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 271695 QMPNBBAHNXDOBD-UHFFFAOYSA-N 339.376 4.665 5 40 EJBB aggregator CC1(C)CCc2cc3c(cc2O1)oc(=O)c1c2ccc(O)cc2oc31 13408699 JWCDJOWFOVBBCP-UHFFFAOYSA-N 336.343 4.502 5 40 EJBB biogenic,in-vitro O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc([N+](=O)[O-])cc1 16401653 UXGQLHVVTVFPAF-UHFFFAOYSA-N 341.150 4.650 5 40 EJBB Nc1ccccc1C(=O)OCc1c2ccccc2cc2ccccc12 225682563 UXAFWJVKFLAIKU-UHFFFAOYSA-N 327.383 4.932 5 40 EJBB CCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 9141765 SDNXFAIBUYOWDO-UHFFFAOYSA-N 348.786 4.598 5 40 EJBB Cc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc(C)c1O 16409205 DRZBVKFNGRWAOD-ZZXKWVIFSA-N 326.377 4.697 5 40 EJBB O=[N+]([O-])c1c(F)cccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250396 JXBAGUVRZOOYEB-UHFFFAOYSA-N 337.175 4.823 5 40 EJBB O=C(Nc1ccccc1Cl)c1ccc2nc3ccccc3nc2c1 96582900 GPLYWCYJHKJGAJ-UHFFFAOYSA-N 333.778 4.689 5 40 EJBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 30755800 ZVIYQZBKUUZKHM-MRXNPFEDSA-N 346.814 4.765 5 40 EJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1Cl)N2 7093223 RPIVXPJQLGULKC-JEBQAFNWSA-N 344.798 4.883 5 40 EJBB Cc1cc2nc3c4ccccc4n(Cc4cccnc4)c3nc2cc1C 8990999 FUHMQIRVRYGGKU-UHFFFAOYSA-N 338.414 4.798 5 40 EJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 72228614 HYUJROSOCICQOU-UHFFFAOYSA-N 339.178 4.771 5 40 EJBB O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1 96997820 RCOMVVFPBFZEEQ-WJDWOHSUSA-N 348.383 4.816 5 40 EJBB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1 3289650 PWLCPDPIIHFLJN-UHFFFAOYSA-N 347.370 4.548 5 40 EJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl 5669106 FHBMGEFOEQLLPI-UHFFFAOYSA-N 332.768 4.715 5 40 EJBB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 3154567 VMHBKCAGLILMES-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3473919 YBJQUFAAJZWERE-UHFFFAOYSA-N 332.787 4.625 5 40 EJBB COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 226293444 NAHHXWLOWULDTJ-UHFFFAOYSA-N 333.343 4.501 5 40 EJBB O=C(Nc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 5674596 XWWHPRKTDSMWAH-UHFFFAOYSA-N 326.139 4.546 5 40 EJBB O=C(c1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1675858 BJZZAZZTFGDVAW-UHFFFAOYSA-N 335.384 4.977 5 40 EJBB C[C@H](Sc1ncc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 7179209 XNNJJLZYPUTPQW-ZDUSSCGKSA-N 339.420 4.849 5 40 EJBB Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 122049 MHNFXDUHITWHAT-FQEVSTJZSA-N 347.370 4.850 5 40 EJBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1 5946517 SSESEXQTPHTHGL-UHFFFAOYSA-N 331.396 4.667 5 40 EJBB Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 276693 GMAJLCYZBNBUKY-UHFFFAOYSA-N 336.347 4.724 5 40 EJBB CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 7845004 WBJFIFGQUKBJAS-UHFFFAOYSA-N 326.377 4.784 5 40 EJBB CC[C@H](CO)Nc1nc2cc(Cl)ccc2c2ccc(Cl)cc12 31719283 WDRQHOZFUXMXCQ-GFCCVEGCSA-N 335.234 4.878 5 40 EJBB CC(C)n1ncc2c(-c3cccnc3)c3oc4cc(O)ccc4c3nc21 96115992 BSJBMVHSGOBZTI-UHFFFAOYSA-N 344.374 4.679 5 40 EJBB biogenic Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 223394186 YRXKWTCHECPLFY-CYBMUJFWSA-N 346.814 4.664 5 40 EJBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCC1 104373133 USINSOKUHCQNED-UHFFFAOYSA-N 347.443 4.624 5 40 EJBB CC[C@@H](C)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 5655477 QPWFFCUJRRBXGK-SNVBAGLBSA-N 348.786 4.720 5 40 EJBB Cc1nc2ccccc2c2c(NC(=O)c3ccoc3)c3ccccc3n12 24478958 URMIDSTWFXJLHR-UHFFFAOYSA-N 341.370 4.794 5 40 EJBB O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)o1 190437 PEYAYDLYYOQRKF-KBOKABMXSA-N 349.346 4.802 5 40 EJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ccccc1 6598230 FLXYCYPBSZJANY-UHFFFAOYSA-N 333.343 4.619 5 40 EJBB O=[N+]([O-])c1ccc2c(c1)[C@H](N1CC3CCC(CC3)C1)c1ccccc1-2 4913749 KXUKAPLIZZFGCH-ZGDBYOLNSA-N 334.419 4.787 5 40 EJBB COc1ccc2c(c1)[nH]c1c(/C=C/c3ccc([N+](=O)[O-])cc3)nccc12 5550343 RACKRQSOLIUNNO-RUDMXATFSA-N 345.358 4.803 5 40 EJBB CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)c(C)c1 218125602 RDRTXBLROMVXIO-QGZVFWFLSA-N 346.814 4.746 5 40 EJBB Cc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 122045 MHNFXDUHITWHAT-HXUWFJFHSA-N 347.370 4.850 5 40 EJBB Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1F 6541428 WAFMSMHHLYMIHZ-UHFFFAOYSA-N 339.779 4.505 5 40 EJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 244452 VMFJTZIKQHAANY-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB Cc1cccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 4620021 NFXSREKGKIQFQM-UHFFFAOYSA-N 341.245 4.574 5 40 EJBB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccccc1[N+](=O)[O-] 16449816 OIJDXVWVDNTVTO-UHFFFAOYSA-N 341.150 4.650 5 40 EJBB Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1094763 FBGZFORUXOIKMY-OAHLLOKOSA-N 348.324 4.904 5 40 EJBB Cc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1C 59474337 CNPWICIIMQSRAT-UHFFFAOYSA-N 342.394 4.988 5 40 EJBB Cc1ccc(C)c(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)c1 89262452 KKMFSCBOCTWXQH-UHFFFAOYSA-N 329.743 4.582 5 40 EJBB COc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408604868 FOUQOXDFWOJHSN-UHFFFAOYSA-N 327.167 4.522 5 40 EJBB O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2cccs2)c(F)c1 32923377 HEXPPSVZGQSSRJ-QGZVFWFLSA-N 328.368 4.997 5 40 EJBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccccc1 8040510 DWXVBCGYNPZPBT-UHFFFAOYSA-N 329.359 4.660 5 40 EJBB CCc1c(C)nc2ccccc2c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 96006630 IGGUZSDHJHGVJN-UHFFFAOYSA-N 349.390 4.575 5 40 EJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1 2512633 IILMPMFNHDHABY-UHFFFAOYSA-N 344.798 4.699 5 40 EJBB O=C(OCc1nc2ccccc2c2ccccc12)c1cccnc1Cl 7718927 ZBSSVRIWRBTOSA-UHFFFAOYSA-N 348.789 4.793 5 40 EJBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 72229024 MHBVWSIMNPTITD-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB Cc1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1 408976516 RHLAFKXJPPUJSN-UHFFFAOYSA-N 328.375 4.735 5 40 EJBB O=C(Nc1cccc2cccnc12)c1cc2cc([N+](=O)[O-])ccc2s1 10912755 GGZOMTMTGIEVLS-UHFFFAOYSA-N 349.371 4.610 5 40 EJBB COc1ccc(C(=O)c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 226297140 NUVHGKHQONNECQ-UHFFFAOYSA-N 347.326 4.734 5 40 EJBB Cc1c(C(=O)OCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 3309368 OKGSPJLOSOIWJD-UHFFFAOYSA-N 340.162 4.567 5 40 EJBB Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6948215 WUZZYNNXXOCHTK-UHFFFAOYSA-N 340.310 4.555 5 40 EJBB Cc1[nH]c2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2c1C 64942403 LBJWLRPHKMGSRN-UHFFFAOYSA-N 346.390 4.853 5 40 EJBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)cc1Sc1cccc(Cl)c1 602993609 RDFWYSQFFIRGHB-UHFFFAOYSA-N 345.811 4.894 5 40 EJBB Cc1nn(-c2ccc(Cl)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 239302 RRPWMCMVDAKDQQ-UHFFFAOYSA-N 327.771 4.718 5 40 EJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl 3152654 HEGCNYSCSILLRS-RMKNXTFCSA-N 337.162 4.554 5 40 EJBB O=[N+]([O-])c1ccc(COc2ccc(/C=C\c3ccccn3)cc2)cc1 8581438 ZYHBAUXVNJJKCC-WTKPLQERSA-N 332.359 4.739 5 40 EJBB CC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 225208744 NELOMBYLILLIRZ-UHFFFAOYSA-N 325.151 4.848 5 40 EJBB Cc1cccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1 584906179 GMJPTLFWPNMELZ-UHFFFAOYSA-N 332.359 4.823 5 40 EJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl 4575874 MRPPFCNQCZDQKY-UHFFFAOYSA-N 345.569 4.807 5 40 EJBB CCCCCCOc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 3164618 KPUCLDLYAAUNPF-UHFFFAOYSA-N 343.379 4.773 5 40 EJBB O=[N+]([O-])c1ccc2sc(/C=C/c3cnn(-c4ccccc4)c3)nc2c1 7907036 TVBIYLBPQKHDFP-RMKNXTFCSA-N 348.387 4.561 5 40 EJBB O=c1c2ccccc2nc2cc(-c3ccccc3)c(-c3ccccc3)nn12 92733 ADNSORMWXRNAFH-UHFFFAOYSA-N 349.393 4.577 5 40 EJBB O=[N+]([O-])c1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1 142780 WHTDKPLQPDSJTM-UHFFFAOYSA-N 343.342 4.997 5 40 EJBB CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 4278952 SYAUOPDOXOTFET-UHFFFAOYSA-N 348.786 4.679 5 40 EJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc2ccccc12 4677286 HVTWBJZSKOUUGF-UHFFFAOYSA-N 340.766 4.962 5 40 EJBB C[C@]12CC3CC(C(=O)Nc4ccc([N+](=O)[O-])cc4)(C1)C[C@](C)(C3)C2 100676388 RBXSMVLMZRTZCW-HSOIFAIESA-N 328.412 4.530 5 40 EJBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 144764 RCABTWOEVNTODW-LJQANCHMSA-N 342.358 4.584 5 40 EJBB Cc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(C)c1 89262428 UKFUUYJPNNMBPV-UHFFFAOYSA-N 329.743 4.582 5 40 EJBB Cn1c(-c2ccccc2)c([C@H](C[N+](=O)[O-])c2ccco2)c2ccccc21 141242 QKJOUFGOFKSWSP-QGZVFWFLSA-N 346.386 4.847 5 40 EJBB COc1ccc(C(c2ccc(OC)cc2)c2cccc([N+](=O)[O-])c2)cc1 5159017 YKVXYTOCOITRFT-UHFFFAOYSA-N 349.386 4.792 5 40 EJBB O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1 6660945 BMTVBIYYMJZYSE-UHFFFAOYSA-N 349.773 4.852 5 40 EJBB