smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 103171949 YOIBLKBXMDXFOJ-LIINSCGZSA-N 331.412 4.612 5 1 EJBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)nc2cccc3c2c1CC3 587210434 BOTDIFMLKXAXGO-UHFFFAOYSA-N 329.359 4.698 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCCC[C@@H]23)c(C(F)(F)F)c1 95578407 SYDHGHCOJOZBRZ-TZMCWYRMSA-N 342.317 4.687 5 1 EJBF Cc1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644248 RKOONDRJGOTBTG-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587644828 CRXLZEVRNFVEIZ-UHFFFAOYSA-N 348.280 4.634 5 1 EJBF Cc1cc(C)cc(CN2C=C[C](Cc3ccc([N+](=O)[O-])cc3)C=C2)c1 2356830910 GOGICJMYKDOZIG-UHFFFAOYSA-N 333.411 4.872 5 1 EJBF CCCCn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 95590238 BSYMJAIBBNNREB-UHFFFAOYSA-N 343.382 4.652 5 1 EJBF CC(C)NCCCNc1c2nc3ccccc3c-2n(C)c2ccccc12 169729280 DSIJYFNJHPZXNZ-UHFFFAOYSA-N 346.478 4.631 5 1 EJBF CCC(C)(C)c1ccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587565359 CZHQGXJTCAFAFO-UHFFFAOYSA-N 339.395 4.738 5 1 EJBF Cc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2cc1[N+](=O)[O-] 586897082 QPNQONSZAAJRNV-UHFFFAOYSA-N 345.358 4.819 5 1 EJBF CC(/C=C\C=C(/C)C(=O)O)=C\C=C/C=C(C)/C=C\C=C(/C)C(=O)O 5851895 PANKHBYNKQNAHN-NFQATYKISA-N 328.408 4.609 5 1 EJBF CC/N=c1/cc2oc3cc(N(CC)CC)ccc3nc-2c2ccccc12 101058710 FQJIDDNPLKWZEF-NMWGTECJSA-N 345.446 4.853 5 1 EJBF CC(=O)OC(OC(C)=O)c1ccc2ccc3cccc4ccc1c2c34 1642057 BNKITCXZLUHIAB-UHFFFAOYSA-N 332.355 4.709 5 1 EJBF O=C1C[C@H](c2cc3ccc4ccccc4c3nc2O)Nc2ccccc21 1857750487 VDIMFZRESCYKKU-LJQANCHMSA-N 340.382 4.833 5 1 EJBF O=[N+]([O-])c1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587053282 BIRCNBOMWIEEPM-FPLPWBNLSA-N 334.162 4.948 5 1 EJBF C[n+]1c2ccccc2c(Cl)c2[nH]c3cc(Br)ccc3c21 26956621 ISUQWABBZHOZOJ-UHFFFAOYSA-O 346.635 4.715 5 1 EJBF Oc1ccc(/N=c2/c3ccccc3[nH]c3c2[nH]c2ccccc23)cc1 38820611 YZLMWOUHGMPTDZ-UHFFFAOYSA-N 325.371 4.740 5 1 EJBF O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c3ccncc3c2c1 82157716 XYVLVVCDORMLTL-UHFFFAOYSA-N 334.762 4.802 5 1 EJBF O=[N+]([O-])c1cc2nc(CSCc3ccsc3)[nH]c2cc1Cl 587024560 BJGCGQKBHRVFPZ-UHFFFAOYSA-N 339.829 4.619 5 1 EJBF Cc1cc2c(c(C)c1Cl)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1)O2 96927853 UOMWASJEENJPLV-CQSZACIVSA-N 331.755 4.572 5 1 EJBF O=S(=O)(c1ccccc1)n1ccc2ccc3c4ccccc4[nH]c3c21 45299606 XNFANRSZNOIMCL-UHFFFAOYSA-N 346.411 4.513 5 1 EJBF Cc1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1[N+](=O)[O-] 587027316 BIIZLFTXBZUJBI-UHFFFAOYSA-N 336.376 4.570 5 1 EJBF Cc1cncc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586972679 KKCNNPFXUFNNMH-UHFFFAOYSA-N 342.424 4.590 5 1 EJBF O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587269821 HIOOSMRZJQOAFA-UHFFFAOYSA-N 336.178 4.563 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645825 DZNWHSRLVYRISX-UHFFFAOYSA-N 330.290 4.553 5 1 EJBF Cc1cccc(-c2ccccc2)c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586878988 NLCOWTCWEIQRJX-UHFFFAOYSA-N 330.347 4.509 5 1 EJBF Cc1c(F)cccc1-c1cc(-c2nc3cnccc3[nH]2)cc([N+](=O)[O-])c1 587136747 LSBNYVDUSWZTFP-UHFFFAOYSA-N 348.337 4.648 5 1 EJBF O=C(Nc1ccc2nc(O)c3ccccc3c2c1)Oc1ccccc1 1857552283 ZDXCRADVRFAQHG-UHFFFAOYSA-N 330.343 4.705 5 1 EJBF O=C(C[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1)c1cc2ccccc2o1 43122318 OYUIMTRANLPGCO-CQSZACIVSA-N 343.766 4.720 5 1 EJBF Cc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269372 BMYQHLOTLHNMCH-UHFFFAOYSA-N 330.347 4.509 5 1 EJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl 587048450 VWLMXZBTBTVXDP-RQOWECAXSA-N 335.697 4.573 5 1 EJBF C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 35274146 WCMVSMOIDILBOJ-PWRODBHTSA-N 346.560 4.791 5 1 EJBF Cc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1C 587048028 PFVNIHZGCGTZLI-VMPITWQZSA-N 327.771 4.912 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(Br)cc1 587644299 SZCOVWMSBJLMQS-UHFFFAOYSA-N 345.196 4.738 5 1 EJBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccccc1 653699475 WMXUACCXYUMDPO-UHFFFAOYSA-N 336.178 4.608 5 1 EJBF Cc1c(F)cccc1-c1cc(-c2nc3cccnc3[nH]2)cc([N+](=O)[O-])c1 587136279 FRPZVCJDNVTPRS-UHFFFAOYSA-N 348.337 4.648 5 1 EJBF Nc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc2ccccc12 587254616 RZWJXTIPHQTKFZ-UHFFFAOYSA-N 338.754 4.527 5 1 EJBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4cccc(Cl)c4)o3)oc2c1 1857603734 VUVMMZCUEGFETE-UHFFFAOYSA-N 341.710 4.711 5 1 EJBF Cc1cc2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2cc1[N+](=O)[O-] 587249180 ISQSBXKIDNKNID-UHFFFAOYSA-N 344.374 4.696 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccc(Cl)c1C 587644944 RMAHMDGEQMGRGW-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1C 587646332 OHRHUMYNLVTZSV-UHFFFAOYSA-N 344.317 4.862 5 1 EJBF Clc1cccc(Cn2c3cccc4cccc(c43)n3cnnc23)c1 1772573822 NCTFRMKUFAXCIE-UHFFFAOYSA-N 332.794 4.539 5 1 EJBF Cc1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc2O)c1 5834767 CZNHQZPCHAREFL-UHFFFAOYSA-N 349.386 4.803 5 1 EJBF COc1ccc2cc([C@@H](C)c3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2c1 587935092 PGDWBUYVBFQVDD-GFCCVEGCSA-N 347.374 4.785 5 1 EJBF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587645828 KYXLIJAEJIPFES-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF Cc1ccc(NC2(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CCCC2)cc1 587237823 YNOLHKIJZPYEOV-UHFFFAOYSA-N 336.395 4.661 5 1 EJBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C)cc(Cl)cc12 587626923 KJSGMNMFJFTBSO-UHFFFAOYSA-N 328.755 4.908 5 1 EJBF O=c1c2ccccc2oc2c1c(O)cc1oc(C3CCCCC3)nc12 1857752124 XFXOCYCQPAGPAJ-UHFFFAOYSA-N 335.359 4.841 5 1 EJBF CC(C)c1nc2c(s1)CCc1onc(-c3cccc([N+](=O)[O-])c3)c1-2 12726549 FNLYOBNRONIMHQ-UHFFFAOYSA-N 341.392 4.595 5 3 EJBF Cn1c(COCC2CC2)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 205328620 HLFHRVAXUQCGOB-UHFFFAOYSA-N 336.391 4.680 5 3 EJBF CC(C)N(Cc1ccc2oc3cccc4c(O)nnc(c2c1)c34)C(C)C 35906515 DYGYPAIPIYRYHY-UHFFFAOYSA-N 349.434 4.854 5 1 EJBF CN(C)CCCNc1nc2c3cc(O)ccc3ccc2c2ccccc12 13600442 KCIAMKUNJWUSCH-UHFFFAOYSA-N 345.446 4.610 5 1 EJBF CCCCc1nc(NCc2ccccc2[N+](=O)[O-])c2sccc2n1 13781390 OIJQFXMDPNRAMM-UHFFFAOYSA-N 342.424 4.554 5 1 EJBF Cc1ccc(-c2csc(-c3ccc(N)c([N+](=O)[O-])c3)n2)cc1C 587920103 FKEJWSGEXJVQTM-UHFFFAOYSA-N 325.393 4.584 5 1 EJBF O=[N+]([O-])c1ccc2c(OCc3ccccc3)c(C(F)(F)F)[nH]c2c1 587645240 MAZFMRHFRITDHZ-UHFFFAOYSA-N 336.269 4.674 5 1 EJBF O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1coc2ccccc12 587280649 PKAXRUSTCKUKDJ-UHFFFAOYSA-N 333.299 4.832 5 1 EJBF O=[N+]([O-])c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Cl 587043553 RNWNZFUZUOJSDQ-CQSZACIVSA-N 331.784 4.514 5 1 EJBF CCCN1[C@H](c2ccc([N+](=O)[O-])c(F)c2F)c2ccccc2C[C@H]1C 963241652 NDELRLMKTGTPTF-BLVKFPJESA-N 346.377 4.619 5 1 EJBF CCCCOc1ccc(C(=O)c2coc3ccccc23)cc1[N+](=O)[O-] 587280620 NGWRITHLFGLMCB-UHFFFAOYSA-N 339.347 4.751 5 1 EJBF Cc1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587644563 ZVRQHIHTXTZDEI-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF COc1cc2c3c(c4ccccc4c2cc1OC)C[C@@H]1CCCN1C3 72126095 ZKKXXRSNZYMQSD-AWEZNQCLSA-N 333.431 4.531 5 1 EJBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/c1ccccc1[N+](=O)[O-] 103171955 KANLTTKFSWNWLB-WSOWTTRFSA-N 331.412 4.612 5 1 EJBF 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O=[N+]([O-])c1ccccc1[C@@H]1C[C@@H]2Cc3ccc4ccccc4c3N1O2 40979912 PUIPNUVHAOXFMR-KXBFYZLASA-N 332.359 4.556 5 1 EJBF Cc1cccc(Nc2ncnc3c2sc2ccc([N+](=O)[O-])cc23)c1 3815186 VRACYLKRFFVNRG-UHFFFAOYSA-N 336.376 4.805 5 1 EJBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587067503 DHTUMHCDOTUCNG-SNVBAGLBSA-N 331.759 4.573 5 1 EJBF COC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(OC)cc12 1857574484 FYUISOZCWFEMKX-UHFFFAOYSA-N 344.370 4.751 5 1 EJBF Cc1c(-c2nc3cc(Br)cc(C)c3[nH]2)cccc1[N+](=O)[O-] 587260930 LRNPYBVMESLRQO-UHFFFAOYSA-N 346.184 4.517 5 1 EJBF O=C(O)c1ccc2nc(Nc3cccc(Cl)c3)c3ccncc3c2c1 66102512 LASSUIXPGNSPGU-UHFFFAOYSA-N 349.777 4.878 5 1 EJBF Cc1ccc(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)cc1[N+](=O)[O-] 82161995 ISZTYFKWDWMQIT-OAHLLOKOSA-N 348.406 4.576 5 1 EJBF CC[N@@+](C)(C(=O)O)/C(=C\c1ccccc1)c1ccnc2ccccc12 299817000 PAHMLZMAVZTRDG-HVQRGMKJSA-O 333.411 4.877 5 1 EJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)cc1 587272237 QMRKXGGQFGWNLY-UHFFFAOYSA-N 347.330 4.636 5 1 EJBF Cc1cc(C)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587048439 VUNUMRYXEDADIG-GQCTYLIASA-N 327.771 4.912 5 1 EJBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587070836 XKBQHRSMOKIRLZ-JTQLQIEISA-N 343.770 4.501 5 1 EJBF O=C(Nc1ccccc1)Nc1ccc2nc(O)c3ccccc3c2c1 1857563040 MFCMZZJJWSGIEA-UHFFFAOYSA-N 329.359 4.738 5 1 EJBF Oc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1 587053332 CQBWELULPAAVMC-UHFFFAOYSA-N 346.777 4.685 5 1 EJBF Cc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1C 587269360 BLDJYALMVOOFMJ-UHFFFAOYSA-N 344.374 4.817 5 1 EJBF Cc1ccc(C)c(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587958764 JNISFFWHARNOFD-UHFFFAOYSA-N 338.414 4.867 5 1 EJBF CC[N+](C)(C(=O)O)/C(=C\c1ccccc1)c1ccnc2ccccc12 84759501 PAHMLZMAVZTRDG-HKWRFOASSA-O 333.411 4.877 5 1 EJBF c1ccc2nc3cc4[nH]c(-c5cc6c(s5)CCC6)nc4cc3nc2c1 587037514 WDOGNINSTFDCGG-UHFFFAOYSA-N 342.427 4.877 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1F 587175702 ZCLZEAXMRDZIJP-UHFFFAOYSA-N 348.696 4.551 5 1 EJBF Nc1cccc(O)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587250425 OUODTBPOHRYLDT-UHFFFAOYSA-N 325.371 4.824 5 1 EJBF CCN(CC)CCNc1c2ccccc2nc2c1[nH]c1ccccc12 40584616 BWWJYRDFOAYKCH-UHFFFAOYSA-N 332.451 4.623 5 1 EJBF in-vitro CC(C)c1[nH]c2cc(F)ccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 587635124 DNFRFARICXNJSK-UHFFFAOYSA-N 341.342 4.591 5 1 EJBF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645692 BEBGVWPFSPKPOH-UHFFFAOYSA-N 336.269 4.771 5 1 EJBF CC(C)(CC(=O)O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587955771 NULMUAXGVSETNQ-UHFFFAOYSA-N 332.403 4.913 5 1 EJBF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645262 NBPYRMKQOCYVDI-UHFFFAOYSA-N 348.280 4.634 5 1 EJBF COc1cc(Br)cc2cc(-c3ccc([N+](=O)[O-])cc3)oc12 1772621292 WYBTUEBKJHGGHN-UHFFFAOYSA-N 348.152 4.779 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Br)cc1F 587646181 WHNYBTUIJDDRSK-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF Cc1cc2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587096402 AJXAFLKCERKMNX-JTQLQIEISA-N 349.312 4.950 5 1 EJBF Nc1ccccc1-c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587250249 KFBBAQOQCHYBSN-UHFFFAOYSA-N 348.337 4.526 5 1 EJBF Cc1cc(C)cc(O[C@H](C)C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279686 OEMIBPRLDLPMNY-CYBMUJFWSA-N 339.347 4.608 5 1 EJBF CC(C)=CCOc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 1772584376 IVGANZJYONJZLN-UHFFFAOYSA-N 341.367 4.584 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Cl 587032975 OKGZIWHXHLCEDA-UHFFFAOYSA-N 345.767 4.712 5 1 EJBF CN(C)CCCNc1nc2c3ccccc3ccc2c2ccccc12 27204895 JOZVWBAFOWVHCM-UHFFFAOYSA-N 329.447 4.905 5 1 EJBF Nc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1 587647393 GNPYWVINFPUWNH-UHFFFAOYSA-N 329.359 4.992 5 1 EJBF CC(=O)c1nc([N+](=O)[O-])c(Sc2ccc(Cl)cc2Cl)s1 1772633403 XRWGNEJMAZJNFI-UHFFFAOYSA-N 349.220 4.712 5 1 EJBF CC[N@+](C)(C(=O)O)/C(=C\c1ccccc1)c1ccnc2ccccc12 299817001 PAHMLZMAVZTRDG-WNPPMXKSSA-O 333.411 4.877 5 1 EJBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc([N+](=O)[O-])c(F)c1F 963241654 NDELRLMKTGTPTF-BUXKBTBVSA-N 346.377 4.619 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(OC(F)F)cc1 587646379 QTFCKVVRSARWGI-UHFFFAOYSA-N 332.306 4.577 5 1 EJBF O=C1c2ccccc2/C(=C/c2ccc([N+](=O)[O-])cc2)c2sccc21 35080137 CZALAKONFXDRCG-BOPFTXTBSA-N 333.368 4.790 5 1 EJBF O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922168 KIIIUAZGTSBPRC-UHFFFAOYSA-N 332.331 4.587 5 1 EJBF c1ccc2nc3cc4[nH]c(-c5ccoc5C5CC5)nc4cc3nc2c1 586901812 ONCMWGPKHFMIGI-UHFFFAOYSA-N 326.359 4.797 5 1 EJBF Cc1cnc(Cl)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587047528 KACKLYZRBAUCIT-HWKANZROSA-N 349.177 4.652 5 1 EJBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587067515 DXKLUNLBGQXRJX-LLVKDONJSA-N 345.786 4.881 5 1 EJBF CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C)cc(Cl)cc12 587626010 BTHLFTDJJUXGFI-UHFFFAOYSA-N 344.754 4.630 5 1 EJBF Cc1cc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1[N+](=O)[O-] 587085900 NCNMJYZTRJMRDZ-UHFFFAOYSA-N 338.754 4.648 5 1 EJBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3ccc(F)cc3)nc12 1857636844 MQZVXIFQOWYQFV-UHFFFAOYSA-N 347.301 4.599 5 1 EJBF COc1ccc(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1 587935434 KUFWDIYIFRYQMC-UHFFFAOYSA-N 345.358 4.814 5 1 EJBF O=C(c1ccc([N+](=O)[O-])c(Cl)c1)c1coc2ccc(Cl)cc12 587278176 HZNGWCYMKXZWAP-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCCC[C@H]23)cc1C(F)(F)F 95577325 MYRFEWWWKLHDFO-FZMZJTMJSA-N 342.317 4.687 5 1 EJBF C[C@@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587170322 OKRMZBMXCGAAHC-VIFPVBQESA-N 349.362 4.645 5 1 EJBF Cc1cc2nc3[nH]c4ccc(Br)cc4c3nc2cc1C 26265477 NAWHWUNRWBYDAI-UHFFFAOYSA-N 326.197 4.644 5 1 EJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 100202030 BADPXOSJBUEVTR-WOJBJXKFSA-N 348.510 4.661 5 1 EJBF Cc1ccc(C)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048073 PULLCXCKEZTPIH-VURMDHGXSA-N 327.771 4.912 5 1 EJBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Cl 587152357 MELHTPAUXSIQGO-IUCAKERBSA-N 349.724 4.674 5 1 EJBF Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCN1CCCCC1 1772573873 PNTMVOCDOXQCIL-UHFFFAOYSA-N 348.490 4.648 5 1 EJBF CC1(C)C=Cc2c(ccc3c2oc(=O)c2c4ccc(O)cc4oc32)O1 14660140 SPBFWPDNBGDCCJ-UHFFFAOYSA-N 334.327 4.582 5 1 EJBF biogenic C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 35274149 WCMVSMOIDILBOJ-HKBOAZHASA-N 346.560 4.791 5 1 EJBF Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F 587146497 NUZRFARCFBOUFL-SNAWJCMRSA-N 331.734 4.742 5 1 EJBF CCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3CC 26501431 LUMHPNJQTBHGHI-UHFFFAOYSA-N 348.402 4.553 5 1 EJBF O=[N+]([O-])c1ccc(Oc2ccccc2-c2ccccc2)c2nonc12 95597338 TYKLIWAWZXIOFQ-UHFFFAOYSA-N 333.303 4.590 5 1 EJBF Cc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c1 587645545 YNZKGFIZGARUTA-UHFFFAOYSA-N 348.280 4.797 5 1 EJBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(F)c(F)c3[nH]2)ccc1Cl 587047492 IVFUNLXQAQUTAM-QHHAFSJGSA-N 335.697 4.573 5 1 EJBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cccnc12 66100991 FYZWSLOCEICNJA-UHFFFAOYSA-N 349.777 4.878 5 1 EJBF O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 95574962 YIGNYKLWOLKRGB-UHFFFAOYSA-N 342.358 4.949 5 1 EJBF Cc1cccc2cc(CNc3ccc([N+](=O)[O-])cc3)c(Cl)nc12 66076837 VJUBLZSPSVPEQK-UHFFFAOYSA-N 327.771 4.717 5 1 EJBF COc1cccc(CNc2ccnc3oc4ccc([N+](=O)[O-])cc4c23)c1 1857760180 POGJXWKWBPLXOA-UHFFFAOYSA-N 349.346 4.510 5 1 EJBF O=C(Cc1ccc(C(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587279871 FMHNFGOQKRRSKE-UHFFFAOYSA-N 349.264 4.785 5 1 EJBF O=[N+]([O-])c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587052982 WTXSHVGHKUMHRC-UHFFFAOYSA-N 338.754 4.582 5 1 EJBF COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1C 587047556 KVCOQIPUTNCMTG-GQCTYLIASA-N 343.770 4.612 5 1 EJBF O=C(c1cccc(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280155 LPTIJZQMNUZPGL-UHFFFAOYSA-N 335.237 4.591 5 1 EJBF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644431 CJSBVQQSBQBVAA-VIFPVBQESA-N 344.754 4.585 5 1 EJBF Cc1cc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1[N+](=O)[O-] 587084469 AWQVAUZIVPXVNG-UHFFFAOYSA-N 338.754 4.648 5 1 EJBF CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1 1625031 JYWIMQRSHZNGLZ-UHFFFAOYSA-O 347.438 4.679 5 1 EJBF O=C(C[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1)c1cc2ccccc2o1 43122315 OYUIMTRANLPGCO-AWEZNQCLSA-N 343.766 4.720 5 1 EJBF Cc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587047287 FCMNKPOREYMRPY-HYXAFXHYSA-N 331.734 4.742 5 1 EJBF Cc1ccc2cc3nc4ccc(Br)cc4c-3n(C)c2c1 137272647 DXNBYYKTWJMDQM-UHFFFAOYSA-N 325.209 4.902 5 1 EJBF Cc1c(-c2cc(Br)ccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587646406 RRNGZZARLRBSDI-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2Br)no1 206038448 BBQKRJDUTFYENU-UHFFFAOYSA-N 345.152 4.679 5 3 EJBF CN(C)CCc1c2ncsc2c2nccc3c4ccccc4[nH]c1c32 38542712 ZVRJUQHDRLLDGR-UHFFFAOYSA-N 346.459 4.583 5 1 EJBF biogenic CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587952357 PMXODWJMJJBVRG-GDLVEWKHSA-N 335.379 4.657 5 1 EJBF O=[N+]([O-])c1ccc2c(NCc3ccccc3)c3c(nc2c1)CCCC3 13808503 HNEVTMFUIZLDMG-UHFFFAOYSA-N 333.391 4.634 5 1 EJBF CC(C)Oc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587140240 VGKJTKUZWDUIEU-UHFFFAOYSA-N 349.749 4.718 5 1 EJBF CCCCCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1 1857569999 WVUOIZGYWDUUAU-UHFFFAOYSA-N 331.362 4.919 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Br)c(F)c1 587645527 BWPKHBMLIVBHTJ-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)ccc3[nH]2)ccc1Cl 51023593 GCVYMAIXHUBIHI-KXFIGUGUSA-N 334.162 4.948 5 1 EJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC1c3ccccc3CCc3ccccc31)C2 100035570 BADPXOSJBUEVTR-WKCHPHFGSA-N 348.510 4.661 5 1 EJBF in-vivo O=[N+]([O-])c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242232 KDPUDJCOLINTFT-UHFFFAOYSA-N 346.346 4.587 5 1 EJBF Cc1ccccc1OC(C)(C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279364 HCUQZTYIWLSALC-UHFFFAOYSA-N 339.347 4.690 5 1 EJBF O=[N+]([O-])c1ccc(C(O)(c2ccccc2)c2ccccc2)c(Cl)c1 27105420 LZYNXKKJNROFAG-UHFFFAOYSA-N 339.778 4.532 5 1 EJBF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587061892 KWHQHHLKTHUYHY-CQSZACIVSA-N 331.759 4.655 5 1 EJBF O=[N+]([O-])c1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587053281 BIRCNBOMWIEEPM-BQYQJAHWSA-N 334.162 4.948 5 1 EJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)cc1Cl 84703942 LNQVHENYILLAKU-UHFFFAOYSA-N 328.111 4.553 5 1 EJBF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 587626869 JBUBMRHKJKKSGE-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF COc1ccc(-c2cc3cc(C)c4ccccc4c3oc2=O)cc1OC 71296534 YVHINFQLDMOOEJ-UHFFFAOYSA-N 346.382 4.939 5 1 EJBF Cc1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587644296 SXVZVBWMJLXTML-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF O=[N+]([O-])c1cccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586899058 RWPXCJNSEFYTMT-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587647106 PYPHCTWCBYMNJQ-NSHDSACASA-N 347.415 4.785 5 1 EJBF C[C@H]1CCc2sc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2C1 587034135 PIJBNVIBYQCSJZ-QMMMGPOBSA-N 347.827 4.978 5 1 EJBF CCc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cc1 587646598 WVKOHGSHIQABEI-UHFFFAOYSA-N 344.317 4.753 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)cc1[N+](=O)[O-] 587644588 GHIGUKNQGDGWCR-UHFFFAOYSA-N 331.715 4.613 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1Cl 587174233 HPXZQEHVXIVNNF-UHFFFAOYSA-N 331.690 4.677 5 1 EJBF Nc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc2c1 587251532 INEUNGCUHKNOFS-UHFFFAOYSA-N 338.754 4.527 5 1 EJBF COc1ccccc1-c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587931622 LDPOWAPGGCQCMH-UHFFFAOYSA-N 345.358 4.814 5 1 EJBF CC(=O)c1nc([N+](=O)[O-])c(Sc2ccc(Cl)c(Cl)c2)s1 1772610799 XEOMMTDMEYJPOQ-UHFFFAOYSA-N 349.220 4.712 5 1 EJBF CCCN(CCC)CCn1c2ccccc2c2nc3ccccc3nc21 31847960 WCQOCQBSXFFMIW-UHFFFAOYSA-N 346.478 4.860 5 1 EJBF O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Cl)cc3Cl)c2c1 205942478 DVZDULWBSSHZLS-UHFFFAOYSA-N 335.150 4.588 5 1 EJBF O=C(O)c1cccc2c1[nH]c1c3cc(Br)ccc3oc21 27060 XFGPVJJBSADMOF-UHFFFAOYSA-N 330.137 4.528 5 1 EJBF Cc1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587643873 KAPQBRCUAMYJLZ-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF Cc1c2[nH]c3ccc(Br)cc3c2c(C)c2[nH]ccc(=O)c12 11592514 GAZAHJWSYHZFJY-UHFFFAOYSA-N 341.208 4.542 5 1 EJBF O=[N+]([O-])c1cc(/C=C\c2nc3cccc(Cl)c3[nH]2)ccc1Cl 587047833 ONXQTVYIBRDURQ-ALCCZGGFSA-N 334.162 4.948 5 1 EJBF CCN(CC)CCNc1c2ccccc2nc2c1oc1ccccc12 40584625 RDDIHJUUBDFFQR-UHFFFAOYSA-N 333.435 4.888 5 1 EJBF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1 587646703 HXQQPJWAAVZJLH-UHFFFAOYSA-N 337.379 4.562 5 1 EJBF Oc1cc(OCc2nc3ccccc3[nH]2)c2ccc3ccccc3c2n1 1772601946 NRDJYKMKLKXXQH-UHFFFAOYSA-N 341.370 4.549 5 1 EJBF CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2cc([N+](=O)[O-])ccc12 587646756 KERQQBIPPGETMG-UHFFFAOYSA-N 345.402 4.958 5 1 EJBF CC(C)=CCOc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1772648865 WJCYTGOVLDYPRW-UHFFFAOYSA-N 341.367 4.584 5 1 EJBF CC[N+](C)(CC)CCO[C@@](C)(c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 100371830 UTVSLCROIUPVOX-LGGPRVQUSA-N 328.520 4.617 5 1 EJBF in-man c1cnc2c(c1)c1nc(-c3ccoc3C3CC3)[nH]c1c1cccnc12 586902416 ZDOUCAUJHRVGRC-UHFFFAOYSA-N 326.359 4.797 5 1 EJBF CN(C)CCc1nnc2cccc3sc4ccc(Cl)cc4c1c23 27992595 TZRWXVCSPQEMTI-UHFFFAOYSA-N 341.867 4.755 5 1 EJBF Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2n1 586972566 IHFZTEKATSMIDI-UHFFFAOYSA-N 342.424 4.590 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(Br)c1 587644242 RHLNXVBXCBDGAE-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ncccc12 1857609121 LUCSGVYAUHAHIP-SFHVURJKSA-N 343.386 4.639 5 1 EJBF Oc1cccc([C@H](O)c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586891111 MWXOOHFVWPAJDF-NRFANRHFSA-N 340.382 4.657 5 1 EJBF CN(Cc1ccccc1)Cc1cc(=O)oc2ccc3ccccc3c12 56852067 VWWVEJSOAKUMOK-UHFFFAOYSA-N 329.399 4.578 5 3 EJBF CC(=O)Oc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1 1772625617 ZZGZIHMCQFSMCE-UHFFFAOYSA-N 330.339 4.539 5 1 EJBF CCCN1CCC(COc2nc3ccccc3c3ccccc23)CC1 95579111 ZCWQRYIDBDJTGM-UHFFFAOYSA-N 334.463 4.889 5 1 EJBF CCCCc1nc(NCc2cccc([N+](=O)[O-])c2)c2sccc2n1 13781391 WZLZFCYTDSCXHP-UHFFFAOYSA-N 342.424 4.554 5 1 EJBF OCc1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 66104859 XVWAOLUUDQRBOM-UHFFFAOYSA-N 335.794 4.672 5 1 EJBF Cc1ccc(C)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587048072 PULLCXCKEZTPIH-SOFGYWHQSA-N 327.771 4.912 5 1 EJBF CCCN1[C@H](c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2C[C@H]1C 963235049 FLWSENHKXWIUCP-YJYMSZOUSA-N 344.842 4.994 5 1 EJBF O=C(c1ccc(-c2ccccc2)cc1)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1 6864587 KARYCDQDNALMBI-NHCUHLMSSA-N 345.354 4.585 5 1 EJBF O=[N+]([O-])c1ccc2oc3ccccc3c3c2c1cn3CCN1CCCC1 34892390 RPAMDAMZSNNHKB-UHFFFAOYSA-N 349.390 4.545 5 1 EJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(Cl)c3[nH]2)c1F 587139076 FGBRNETVYAJSNN-UHFFFAOYSA-N 326.114 4.584 5 1 EJBF C[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1C(F)(F)F 587097050 GYEGVINUFGNQNY-VIFPVBQESA-N 335.285 4.642 5 1 EJBF Fc1ccccc1CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587150904 URNJEXDWPWRDTJ-UHFFFAOYSA-N 342.377 4.584 5 1 EJBF Cc1cc(C)cc(O[C@@H](C)C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279687 OEMIBPRLDLPMNY-ZDUSSCGKSA-N 339.347 4.608 5 1 EJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4ccccc4cc3[nH]2)c1 587261698 GHFKTCPEWYQGDZ-UHFFFAOYSA-N 347.374 4.554 5 1 EJBF COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1C 587047557 KVCOQIPUTNCMTG-XQRVVYSFSA-N 343.770 4.612 5 1 EJBF O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21 14954819 WENCWJUIDFEPSK-UHFFFAOYSA-N 328.396 4.932 5 1 EJBF O=[N+]([O-])c1ccc2c(-c3ccc(F)cc3)c(C3CCOCC3)[nH]c2c1 587646046 RQIXHIRHTNBSTM-UHFFFAOYSA-N 340.354 4.776 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882698 ADEDHYGMTDPPOU-IJZKUYQOSA-N 331.803 4.592 5 1 EJBF Cc1ccc(C(F)(F)F)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279781 ANKAULFECVQADG-UHFFFAOYSA-N 349.264 4.899 5 1 EJBF Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(Br)cc12 6069234 NOQJEBRVMYWJBG-UHFFFAOYSA-O 340.244 4.678 5 1 EJBF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644738 LZINVDVJZWMJFH-UHFFFAOYSA-N 344.754 4.573 5 1 EJBF O=C(O)CCCCCCc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 13726565 VXYVLVVOELUFPY-UHFFFAOYSA-N 341.407 4.763 5 1 EJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(O)c2[nH]1 586971949 CBKCHOBHZOGRFH-UHFFFAOYSA-N 343.408 4.592 5 1 EJBF COc1ccc2c(c1)oc(=O)c1c3cc4c(cc3oc21)OC(C)(C)C=C4 14824359 KIFXUUIGSBVTCM-UHFFFAOYSA-N 348.354 4.885 5 1 EJBF biogenic C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 35274143 WCMVSMOIDILBOJ-QHAWAJNXSA-N 346.560 4.791 5 1 EJBF O=C(c1cc(F)c(F)cc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280251 PQWVPQSAZFKGGU-UHFFFAOYSA-N 337.665 4.504 5 1 EJBF O=[N+]([O-])c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1F 587073716 NLTJAMYTFKCFOS-UHFFFAOYSA-N 345.761 4.538 5 1 EJBF Cc1ccc(Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F 587280535 ZBPOYTHGUDSTSO-UHFFFAOYSA-N 333.702 4.673 5 1 EJBF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2cccnc12 1857593975 VLVYYGZJOPTEHT-QGZVFWFLSA-N 343.386 4.639 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Cl 587161628 PCBNFPJRMDAFBC-GHMZBOCLSA-N 331.734 4.535 5 1 EJBF Cc1cc(C)c(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1 587647113 QFRDTXDUWODLDH-UHFFFAOYSA-N 337.379 4.562 5 1 EJBF CCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 73240821 MQDMHORITYCADB-UHFFFAOYSA-N 340.386 4.725 5 1 EJBF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645722 BXHVTHJOFUDMEW-UHFFFAOYSA-N 344.317 4.807 5 1 EJBF CC(C)=CCc1c(O)ccc2c1oc(=O)c1c3ccc(O)cc3oc21 14650485 FRXPSBUCIWPZMH-UHFFFAOYSA-N 336.343 4.612 5 1 EJBF endogenous,in-man Cc1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n1 587272175 OUYUKPWLOUOUIY-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF CCC(C)(C)c1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587565334 BJWBYEASRYLSKN-UHFFFAOYSA-N 339.395 4.738 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(F)cc1Br 587646013 QGJZVOHVHMGQIY-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF O=[N+]([O-])c1ccc2ncnc(Nc3cc(Cl)ccc3Cl)c2c1 653690496 HTYYEBDOJGXGMO-UHFFFAOYSA-N 335.150 4.588 5 1 EJBF COc1cccc(C)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587787479 UCMDZGBEQZTPFH-UHFFFAOYSA-N 340.386 4.643 5 1 EJBF Cc1cc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2cc1[N+](=O)[O-] 587074736 WRCIDKCKNGTLSD-UHFFFAOYSA-N 341.798 4.707 5 1 EJBF COc1cc(/C=C/c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC 13608025 HMBHLSFDCBXYET-BQYQJAHWSA-N 335.359 4.936 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(C(C)C)cc1 587646676 GREFHXJCQPIEGQ-UHFFFAOYSA-N 337.379 4.760 5 1 EJBF O=[N+]([O-])c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1F 962667314 NOGOJRFYUHEUBK-NRFANRHFSA-N 348.377 4.636 5 1 EJBF O=[N+]([O-])c1cccc2nc(CCCCCCCCCCCO)[nH]c12 586894600 NXIPTGGLTYPSGW-UHFFFAOYSA-N 333.432 4.517 5 1 EJBF Cc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-] 587260868 JVCPZVSFXLETKK-UHFFFAOYSA-N 339.248 4.604 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587646592 WSKCORSZPXAZAO-UHFFFAOYSA-N 348.280 4.634 5 1 EJBF O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1coc2ccccc12 587280565 JRXNEIXXQQKORT-UHFFFAOYSA-N 333.299 4.832 5 1 EJBF Cc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1F 587269899 ITOVKZZXEXICSZ-UHFFFAOYSA-N 348.337 4.648 5 1 EJBF O=[N+]([O-])c1cccc2c(Sc3cccc(Cl)c3)cc(O)nc12 299859530 FVIPQYLLFXONQP-UHFFFAOYSA-N 332.768 4.653 5 1 EJBF COc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1C 587265871 UIUYGSZUTSDEQN-UHFFFAOYSA-N 349.346 4.715 5 1 EJBF Oc1ccc(-c2nc3ccccc3c3ncnc4[nH]cc2c43)c(Cl)c1 45387339 NXGKHHZHGCQDFN-UHFFFAOYSA-N 346.777 4.685 5 1 EJBF Cc1ccc(SCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(C)c1 586964371 BMCJUXGRNGABET-UHFFFAOYSA-N 327.409 4.689 5 1 EJBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587114906 ZBJGNNDFRWWPBH-JTQLQIEISA-N 349.312 4.836 5 1 EJBF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587646342 OYQURJLYYXNCTA-UHFFFAOYSA-N 344.317 4.807 5 1 EJBF Cc1cc2nc3c4ccccc4n(C)cc-3c2cc1Br 102924414 YZTUEISZFGQVFC-UHFFFAOYSA-N 325.209 4.902 5 1 EJBF CC[N+](C)(CC)CCO[C@](C)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@@H]1C2 169292596 UTVSLCROIUPVOX-UGESXGAOSA-N 328.520 4.617 5 1 EJBF in-man CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587156312 TZLXBMWEMIANDO-CQSZACIVSA-N 349.749 4.794 5 1 EJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccc(O)c4[nH]3)c2)cc1 587272554 VGSUWOXFFYIUDP-UHFFFAOYSA-N 347.330 4.636 5 1 EJBF CC(=O)c1nc([N+](=O)[O-])c(Sc2c(Cl)cccc2Cl)s1 1772615954 HHQUWLFCWGRHNJ-UHFFFAOYSA-N 349.220 4.712 5 1 EJBF C[C@H](CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 169309466 BCOYXYPVMBTPPI-LLVKDONJSA-N 338.842 4.529 5 1 EJBF CCOc1ccc2[nH]c3cc(NCc4ccccc4)ccc3c(=N)c2c1 1772614320 RNWIPACXNZTSDJ-UHFFFAOYSA-N 343.430 4.811 5 1 EJBF O=c1c2ccccc2n(CCCCc2ccccc2)c2cccc(O)c12 64746292 MDDWVSSUJICERG-UHFFFAOYSA-N 343.426 4.883 5 1 EJBF Cc1ccnc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc12 586974522 UZJABTOOIHCJBD-UHFFFAOYSA-N 342.424 4.590 5 1 EJBF CN(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)nc1 587194714 LXZSOAQHOINXED-UHFFFAOYSA-N 338.414 4.997 5 1 EJBF CC(/C=C\C=C(/C)C(=O)O)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)O 5179004 PANKHBYNKQNAHN-RFPGUNLASA-N 328.408 4.609 5 1 EJBF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587952425 QOUWGNDLMMPVPX-PPHDSNJXSA-N 331.416 4.826 5 1 EJBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c12 587645493 WYXHGLIONLKCKX-UHFFFAOYSA-N 336.725 4.955 5 1 EJBF Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 586970806 JHXKGKQLLMSDKV-UHFFFAOYSA-N 341.436 4.564 5 1 EJBF c1cnc2c(c1)c1nc(-c3cc4c(s3)CCC4)[nH]c1c1cccnc12 587037042 QQPGYBUNNAJYSR-UHFFFAOYSA-N 342.427 4.877 5 1 EJBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587112991 IUKNPLDKCFTGKU-SNVBAGLBSA-N 349.312 4.836 5 1 EJBF CC(/C=C\C=C(/C)C(=O)O)=C/C=C\C=C(C)\C=C/C=C(\C)C(=O)O 17161544 PANKHBYNKQNAHN-FEUHCSDVSA-N 328.408 4.609 5 1 EJBF CN(C)c1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1 29135546 YVLBTCKTHVPODH-UHFFFAOYSA-N 340.450 4.528 5 1 EJBF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646579 VVYYTNXOPZATGH-UHFFFAOYSA-N 332.306 4.695 5 1 EJBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)NCCc2cc(Cl)ccc21 963389552 BJMUVWJQWJXQED-LJQANCHMSA-N 344.842 4.587 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)s1 587645991 IARNUOVGMJBGOT-UHFFFAOYSA-N 336.319 4.615 5 1 EJBF O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)s1)c1ccncc12 59222440 XOKDMAFZEUXYFE-UHFFFAOYSA-N 340.791 4.863 5 1 EJBF Clc1ccc2oc3nc4ccccc4c-3c(N3CCOCC3)c2c1 95576081 GMDDZNHRQAXDDS-UHFFFAOYSA-N 338.794 4.576 5 1 EJBF Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643591 GQHHHNBKODBYHO-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF CCc1oc2ccccc2c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586903593 LMTMJXALXUFOFX-UHFFFAOYSA-N 325.299 4.586 5 1 EJBF O=C(NC1CCCCC1)Oc1cc(-c2ccccc2)ccc1[N+](=O)[O-] 96167335 IMHBUDYZHFHQPK-UHFFFAOYSA-N 340.379 4.683 5 1 EJBF O=[N+]([O-])c1cccc2c(Sc3ccccc3Cl)cc(O)nc12 299859559 FXFHTHQKCBUVMY-UHFFFAOYSA-N 332.768 4.653 5 1 EJBF Cc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1[N+](=O)[O-] 587024160 XFNOOYUNJCQOGF-UHFFFAOYSA-N 336.376 4.570 5 1 EJBF O=c1c2ccccc2c2nc3ccccc3nc2n1C1CCCCC1 1618945 VALUUHAHPKNNBY-UHFFFAOYSA-N 329.403 4.603 5 1 EJBF Cc1oc(-c2ccccc2)nc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280289 RIMBBZDXSPSORG-UHFFFAOYSA-N 348.314 4.535 5 1 EJBF C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 35274590 WCMVSMOIDILBOJ-HBMCJLEFSA-N 346.560 4.791 5 1 EJBF Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587145849 SLQVEASUGSVDLK-UHFFFAOYSA-N 332.313 4.605 5 1 EJBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587067920 UYNNMCBBQZSOBH-SECBINFHSA-N 349.749 4.712 5 1 EJBF CN(C)c1ncccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587195573 JHCKDEHPFGODLA-UHFFFAOYSA-N 338.414 4.997 5 1 EJBF Cc1nccc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c12 587271484 CPMYQUHNRUUTQP-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF COc1cc(C)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587925319 LZXJOBBNABMPIL-UHFFFAOYSA-N 340.386 4.643 5 1 EJBF Fc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587145380 LVVIRVIZOOFLIH-UHFFFAOYSA-N 332.313 4.605 5 1 EJBF Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 199791888 WPYBWDIKHFVRIU-UHFFFAOYSA-N 329.359 4.533 5 1 EJBF O=[N+]([O-])c1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3 13808501 SIWYMMBMGFYGRC-UHFFFAOYSA-N 333.391 4.634 5 1 EJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(F)c(F)cc3[nH]2)ccc1Cl 587048271 RSMSFQFAIFZCBO-DUXPYHPUSA-N 335.697 4.573 5 1 EJBF COc1cccc2c1OCc1c-2nc2cnc3ccccc3c2c1C 1857766830 QYWJLZUHDOYEQC-UHFFFAOYSA-N 328.371 4.659 5 1 EJBF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3nc(C)c([N+](=O)[O-])c3C)c2c1 587642019 IQWSUROLUQLZJP-SNVBAGLBSA-N 326.400 4.701 5 1 EJBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2cc([N+](=O)[O-])ccc12 587644379 ABDOEEWNEABSDV-UHFFFAOYSA-N 331.715 4.613 5 1 EJBF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645216 ZRSZEKSRIFLUOC-UHFFFAOYSA-N 344.754 4.573 5 1 EJBF CCN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1 13742150 QQLQEBGSTABMQS-UHFFFAOYSA-N 341.458 4.683 5 1 EJBF O=C(O)c1nc2cc(Cl)ccc2c2[nH]c3c(Cl)cccc3c12 473110913 XRQCWSSAUMCSQV-UHFFFAOYSA-N 331.158 4.874 5 1 EJBF O=[N+]([O-])c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1 653719875 CEESOKOWPZSBEF-UHFFFAOYSA-N 339.354 4.776 5 1 EJBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Cl 587152355 MELHTPAUXSIQGO-BDAKNGLRSA-N 349.724 4.674 5 1 EJBF O=[N+]([O-])c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587950135 PSXQIXXIOAXWOE-UHFFFAOYSA-N 345.358 4.854 5 1 EJBF CCN(CC)CCCn1c2ccccc2c(=O)c2c(C)cc(C)cc21 103273211 YFMJEFQOPWSRGL-UHFFFAOYSA-N 336.479 4.503 5 1 EJBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3sccc3c2)cc1 54300126 UKNALJOPPHZOMD-UHFFFAOYSA-N 329.406 4.618 5 1 EJBF CCCN(CCC)c1nc(O)c2c(ccc3c4ccccc4oc32)n1 653695771 BYUCTSALDVVCRD-UHFFFAOYSA-N 335.407 4.861 5 1 EJBF Cc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586980167 ORDMXYOSSZNIRZ-UHFFFAOYSA-N 346.184 4.517 5 1 EJBF CCN(CC)CCCn1c2ccccc2c(=O)c2cc(Cl)ccc21 29037549 QFQWGTIAFDGEAQ-UHFFFAOYSA-N 342.870 4.540 5 1 EJBF Cc1cnc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 587272466 UAMDZSACATTYPE-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF Cc1c(-c2cc(Br)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 587643948 LCZGNFDPOWLCMD-UHFFFAOYSA-N 347.168 4.520 5 1 EJBF Cc1ccc(-c2nc3c(cc(O)c4c(=O)c5ccccc5oc43)o2)cc1 1857753087 CRMDLFAJEALSMH-UHFFFAOYSA-N 343.338 4.768 5 1 EJBF COc1nc2cc3cccnc3c(Cl)c2nc1-c1cccs1 653765609 RDTJWDZJROKPIS-UHFFFAOYSA-N 327.796 4.569 5 1 EJBF CC(=O)Nc1ccc2c(=Nc3ccccc3)c3ccccc3n(C)c2c1 26847064 AXDDKLMWNYKOLF-UHFFFAOYSA-N 341.414 4.522 5 1 EJBF O=[N+]([O-])c1cccc(/C=C2\CCc3c2nc2cccc4c2c3CC4)c1 587211195 NCOUGNDGDCCBSU-RVDMUPIBSA-N 328.371 4.728 5 1 EJBF Cc1noc(-c2ccccc2)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278918 AYNALNZNJBTPRS-UHFFFAOYSA-N 348.314 4.535 5 1 EJBF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587952426 QOUWGNDLMMPVPX-ZUCKAHLUSA-N 331.416 4.826 5 1 EJBF CNc1c(F)cccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587135498 DMCFMBQKVNTBRL-UHFFFAOYSA-N 343.365 4.507 5 1 EJBF O=[N+]([O-])c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958467 DVAYHDIDZLGPIH-UHFFFAOYSA-N 329.359 4.729 5 1 EJBF COc1cc(/C=C\c2ccc3ccccc3c2)cc([N+](=O)[O-])c1OC 13608022 HMBHLSFDCBXYET-FPLPWBNLSA-N 335.359 4.936 5 1 EJBF COc1ccc(-c2cc(OC)c3c(c2)c2ccccc2c[n+]3C)cc1 1857537507 ZACDTNDALXBUHX-UHFFFAOYSA-N 330.407 4.502 5 1 EJBF CCCCc1c(O)c2cc3ccccc3nc2n(-c2ccccc2)c1=O 100815742 NXCYEYYYFKWQEQ-UHFFFAOYSA-N 344.414 4.587 5 1 EJBF Cc1oc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1[N+](=O)[O-] 587269643 XQAMDNURIBBVOA-UHFFFAOYSA-N 335.319 4.832 5 1 EJBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)s1 587645961 GZJQKKOOYAYISD-UHFFFAOYSA-N 336.319 4.561 5 1 EJBF O=[N+]([O-])C[C@H](c1cccnc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857589779 QMYMQVWCVKOWEU-GOSISDBHSA-N 343.386 4.639 5 1 EJBF Cc1cc(F)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047817 OEPCZDVTKLJMGI-HWKANZROSA-N 331.734 4.742 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(F)ccc1Br 587646242 YBIXZQDZOHRCBL-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF O=[N+]([O-])c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955489 KOJLBLAWKUHQFW-GOSISDBHSA-N 343.386 4.846 5 1 EJBF COc1cc2c3c(c4ccccc4c2cc1OC)CN1CCC[C@H]1C3 28817927 MDMIGAZBGNORSH-AWEZNQCLSA-N 333.431 4.531 5 1 EJBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Cl 587161635 PCBNFPJRMDAFBC-QWRGUYRKSA-N 331.734 4.535 5 1 EJBF O=C(c1ccc(-c2ccccc2)cc1)[C@H]1O[C@@H]1c1cccc([N+](=O)[O-])c1 103179610 UVFFRNRAVYHWEC-NHCUHLMSSA-N 345.354 4.585 5 1 EJBF CC(C)COc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280029 YRLIJGKFCYRLBE-UHFFFAOYSA-N 339.347 4.607 5 1 EJBF O=[N+]([O-])c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052949 VIZTZCICNXGCNG-UHFFFAOYSA-N 338.754 4.582 5 1 EJBF C[C@H](OC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 40394504 BKBMCVCFEORPSU-JTQLQIEISA-N 336.800 4.723 5 1 EJBF O=[N+]([O-])c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882699 ADEDHYGMTDPPOU-NOTQWWDFSA-N 331.803 4.592 5 1 EJBF O=[N+]([O-])c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145966 XREOGZWUOJZSNQ-UHFFFAOYSA-N 347.349 4.868 5 1 EJBF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccncc2)[nH]c2ccccc12 1857605290 JRWSBBQDOVLQCA-GOSISDBHSA-N 343.386 4.639 5 1 EJBF Cc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1 587146600 SCPWRFPLSBXCGJ-UHFFFAOYSA-N 328.350 4.774 5 1 EJBF Cc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(Cl)c1 587644604 HGTQDZOQBKNSBA-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF Cc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Cl 587139401 JRKHNZCQOCOIQQ-UHFFFAOYSA-N 340.141 4.892 5 1 EJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Cl 587950560 CTXHQQVSMDOYIN-UHFFFAOYSA-N 343.770 4.723 5 1 EJBF CC[C@@H](C)c1ccc2[nH]c(C(=O)O)c(-c3ccccc3[N+](=O)[O-])c2c1 587642890 PNKWLNCTQGTGDT-LLVKDONJSA-N 338.363 4.955 5 1 EJBF Oc1ccc(Br)c2nc3cc(Cl)c(Cl)cc3nc12 653895022 MTNNXIACYROQNP-UHFFFAOYSA-N 343.995 4.558 5 1 EJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 6068314 BADPXOSJBUEVTR-WCRBZPEASA-N 348.510 4.661 5 1 EJBF in-vitro Cc1cc2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587170564 DEBHAHOYYAMFBD-NSHDSACASA-N 345.399 4.814 5 1 EJBF O=C(c1cccc(Cl)c1[N+](=O)[O-])c1coc2ccc(Cl)cc12 587277834 FQPLTDKDZODZOA-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF O=[N+]([O-])c1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1 1772590844 WKDIVCXCWMVLPY-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF CC(C)O[P@@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 28264546 NOJFFNGZHHRORS-QHCPKHFHSA-N 337.268 4.586 5 1 EJBF CN(C)c1ccc(Nc2cc(=O)oc3c2ccc2ccccc23)cc1 84602066 LDXCODOFYGXCMJ-UHFFFAOYSA-N 330.387 4.756 5 1 EJBF Cc1ccc(NC2(c3nc4cccc([N+](=O)[O-])c4[nH]3)CCCC2)cc1 587237197 MNPAHHRFHKDORO-UHFFFAOYSA-N 336.395 4.661 5 1 EJBF Cc1c(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587133352 UMMKYTCCVYSXIR-UHFFFAOYSA-N 346.340 4.913 5 1 EJBF CCCCOc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587278965 CGEKJHVLWWAJRF-UHFFFAOYSA-N 339.347 4.751 5 1 EJBF Cc1c(Cc2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587644230 QWYMZWADPROWLX-UHFFFAOYSA-N 345.196 4.738 5 1 EJBF COC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12 73221852 GYHFZKPOSNXUSC-UHFFFAOYSA-N 348.789 4.890 5 1 EJBF COc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1NC(C)C 587647128 RBUCGDAKRCNIRH-UHFFFAOYSA-N 325.368 4.572 5 1 EJBF CNc1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1 29135602 ZJCBDXLMLHDSNR-UHFFFAOYSA-O 326.423 4.504 5 1 EJBF O=c1oc2ccc(Cl)cc2c2nc3c(cc12)CCc1ccccc1-3 103272125 JSPKZVGBZFXQBE-UHFFFAOYSA-N 333.774 4.760 5 1 EJBF O=NCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587190832 SIXBWBYOWDBWHI-UHFFFAOYSA-N 339.358 4.593 5 1 EJBF COc1ccc(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c([N+](=O)[O-])c1 587631646 RYOIELOZGXIDLS-UHFFFAOYSA-N 334.734 4.853 5 1 EJBF C[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587098689 SEIOOMDCCOIBMG-SECBINFHSA-N 335.285 4.642 5 1 EJBF Cc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(Cl)c1 587645078 UNXBFGOAPNDOQY-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF Cc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1Cl 587644751 MNXBNAIAORJXTI-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF c1ccc2nc3c(nc2c1)Nc1cc2nc4ccccc4nc2cc1N3 299860967 KDLJEQBQFJMRPT-UHFFFAOYSA-N 336.358 4.527 5 1 EJBF O=[N+]([O-])c1ccccc1C[C@@H]1CCc2c1nc1cccc3c1c2CC3 587211021 JXKJBVKGXBAGRD-HNNXBMFYSA-N 330.387 4.514 5 1 EJBF Cc1c(CSc2ccccc2[N+](=O)[O-])nc2cccc3c2c1CC3 587216852 ORPOHZPDJPOOCV-UHFFFAOYSA-N 336.416 4.842 5 1 EJBF CCc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587047734 LQEAYGNNNBJNBM-VMPITWQZSA-N 327.771 4.857 5 1 EJBF Cc1cc2c(=O)c3c(O)c(Cl)cc(Cl)c3oc2c(O)c1Cl 2356468762 PPIWDMYQZGYKBN-UHFFFAOYSA-N 345.565 4.626 5 1 EJBF Cc1cc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2cc1[N+](=O)[O-] 587034284 RMBIMNARORXWEN-VIFPVBQESA-N 327.409 4.633 5 1 EJBF Cc1oc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268538 CPXSDONOLDPLGU-UHFFFAOYSA-N 345.664 4.712 5 1 EJBF COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646630 YKBAETNDQIVYHR-UHFFFAOYSA-N 336.269 4.771 5 1 EJBF O=[N+]([O-])c1cc(Cl)ccc1Nc1nc(-c2ccncc2)cs1 299837418 QTVUQRKHJUTITH-UHFFFAOYSA-N 332.772 4.510 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)s1 587645628 ABIYSQLFLWIHNX-UHFFFAOYSA-N 336.319 4.615 5 1 EJBF O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2cccnc12 1857593974 VLVYYGZJOPTEHT-KRWDZBQOSA-N 343.386 4.639 5 1 EJBF O=C(c1ccc(-c2ccccc2)cc1)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 103179605 BQLCBXPVIFBXHJ-NHCUHLMSSA-N 345.354 4.585 5 1 EJBF O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1coc2ccccc12 587281022 PRAGOLXVBLCKHU-UHFFFAOYSA-N 335.237 4.591 5 1 EJBF Cc1c(-c2ccc(Br)cc2O)[nH]c2cccc([N+](=O)[O-])c12 587644232 QZKACXSLDSONNF-UHFFFAOYSA-N 347.168 4.520 5 1 EJBF Cc1nc(Nc2ccc3cc4ccccc4cc3c2)c2nc[nH]c2n1 95552251 BIPMGIPWDJKMJX-UHFFFAOYSA-N 325.375 4.711 5 1 EJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587160166 JVPHYINDXIVCSI-UHFFFAOYSA-N 326.114 4.584 5 1 EJBF CC(/C=C\C=C(/C)C(=O)O)=C\C=C\C=C(C)\C=C/C=C(\C)C(=O)O 17161548 PANKHBYNKQNAHN-VVSYCAMKSA-N 328.408 4.609 5 1 EJBF O=C1NC(=O)c2c1c1cc3ccccc3cc1c1[nH]c3ccccc3c21 13554104 RONAHYSBEQPGHS-UHFFFAOYSA-N 336.350 4.511 5 1 EJBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(-c3nc4ccccc4[nH]3)c12 587645327 QCQCMRBZUTVHCA-UHFFFAOYSA-N 346.268 4.638 5 1 EJBF O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3ccc(Cl)cc3)C=C2)cc1 2356865129 JVLGCQUBWBNZBF-UHFFFAOYSA-N 339.802 4.908 5 1 EJBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 963235045 FLWSENHKXWIUCP-BFUOFWGJSA-N 344.842 4.994 5 1 EJBF CCCC(=O)OCc1ccc2nc3ccc(OC)cc3c(Cl)c2c1 58548165 OPJGGCBHGUPDNK-UHFFFAOYSA-N 343.810 4.893 5 1 EJBF COC(=O)C[C@H](C)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587784243 GKHJRBHTYJPINM-CYBMUJFWSA-N 332.403 4.611 5 1 EJBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c[nH]c2cccc([N+](=O)[O-])c12 963233854 DKHHKHCRYQKRLY-LHSJRXKWSA-N 349.434 4.822 5 1 EJBF COc1ccc(-c2nc3ccccn3c2-c2cccc([N+](=O)[O-])c2)cc1 95575965 KWIQVCAOOBBIFF-UHFFFAOYSA-N 345.358 4.585 5 1 EJBF Cc1cncc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587273015 YLUUIQRZPHWCSF-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF C[N+](C)(C)C[C@@H]1CSC(C2CCCCC2)(C2CCCCC2)O1 29404666 CHSDYWULPTYCTA-GOSISDBHSA-N 326.570 4.682 5 1 EJBF O=[N+]([O-])c1cc(Cl)ccc1Nc1nc(-c2cccnc2)cs1 299835728 LJMACCJWFRCSLN-UHFFFAOYSA-N 332.772 4.510 5 1 EJBF COc1cc2cc(OC)c3oc4ccccc4c4ccc(c1=O)c2c34 474607076 IYHQWXOAXRZYHI-UHFFFAOYSA-N 330.339 4.708 5 1 EJBF O=[N+]([O-])c1cc(/C=C/c2nc3cccc(Cl)c3[nH]2)ccc1Cl 587047834 ONXQTVYIBRDURQ-FNORWQNLSA-N 334.162 4.948 5 1 EJBF Cc1cc(C)c2c(=O)c3ccccc3n(CCCN3CCCCC3)c2c1 103275057 YDFJCCNHBUYUQS-UHFFFAOYSA-N 348.490 4.648 5 1 EJBF CNc1c(F)cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587135427 ACNGOSHIFMBHFZ-UHFFFAOYSA-N 343.365 4.507 5 1 EJBF O=[N+]([O-])c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)n(O)c2c1 28957191 UIWDHMBYSYDKGR-UHFFFAOYSA-N 347.330 4.641 5 1 EJBF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1c([N+](=O)[O-])ccc(O)c1F 587629190 FQJRTJCOQDZNMY-UHFFFAOYSA-N 338.697 4.689 5 1 EJBF O=Cc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3 64625113 ANAVQYSJOUMZRI-UHFFFAOYSA-N 338.370 4.468 5 1 EJBF in-vitro O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587160421 RGFIZTCJKFTFPV-UHFFFAOYSA-N 326.114 4.584 5 1 EJBF Cn1nnc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1C(F)F 587128871 SHCLAUBNPBFSPZ-UHFFFAOYSA-N 349.344 4.602 5 1 EJBF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2cc([N+](=O)[O-])ccc12 587646884 MLBRHURVGCKKAT-UHFFFAOYSA-N 331.372 4.691 5 1 EJBF CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587568002 JHRXWMOUFCLVFU-UHFFFAOYSA-N 345.786 4.504 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(OC(F)(F)F)cc1 587646619 XZOXESSLKVLPEG-UHFFFAOYSA-N 336.269 4.950 5 1 EJBF Cc1ccc(-c2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)o1 586903419 PWEMLUWHSZZNGK-UHFFFAOYSA-N 337.310 4.846 5 1 EJBF COc1ncccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857562497 UDOGQPQXVFFOHU-UHFFFAOYSA-N 330.343 4.568 5 1 EJBF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc([N+](=O)[O-])c2[nH]1 587061910 LJZGJPOHYNCWGZ-CYBMUJFWSA-N 331.759 4.655 5 1 EJBF C[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587098690 SEIOOMDCCOIBMG-VIFPVBQESA-N 335.285 4.642 5 1 EJBF CCc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1CC 586880269 PAXODVMLGRZFIC-UHFFFAOYSA-N 329.787 4.916 5 1 EJBF O=[N+]([O-])c1ccc2[nH]c3c[nH]c4c5ccc(Cl)cc5nc-4c3c2c1 100660638 KBKHECCSMWDZKZ-UHFFFAOYSA-N 336.738 4.864 5 1 EJBF CCCC(Br)(CCC)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586970497 FVEYOARSUMTOJL-UHFFFAOYSA-N 340.221 4.662 5 1 EJBF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2cnccc12 1857563957 LSZZLIQJUDCSLL-GOSISDBHSA-N 343.386 4.639 5 1 EJBF CCc1cc(OCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1Cl 587052964 VUGZVACNUOSTDX-UHFFFAOYSA-N 345.786 4.574 5 1 EJBF CCCCN(CC)CCn1c2ccccc2c2nc3ccccc3nc21 31847953 RUXKPZLFBKZBAW-UHFFFAOYSA-N 346.478 4.860 5 1 EJBF O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1coc2ccc(Cl)cc12 587278790 UJXHEOSRXYTAGK-UHFFFAOYSA-N 337.665 4.504 5 1 EJBF O=C(CCSc1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280223 OQZKJQPIYXVXSD-UHFFFAOYSA-N 345.351 4.845 5 1 EJBF CC[C@@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587062997 ZAESMVAMEJVSMW-OAHLLOKOSA-N 345.786 4.963 5 1 EJBF COc1ccc(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1 587936779 ZJQWAYJWWWXPNA-UHFFFAOYSA-N 345.358 4.814 5 1 EJBF O=[N+]([O-])c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242447 LSLRUAZSUGGDJB-UHFFFAOYSA-N 346.346 4.587 5 1 EJBF Cc1ccc2c([C@H](C[N+](=O)[O-])c3cccs3)c(C3CC3)[nH]c2c1 1857540981 GKTUBFMNCQQQNI-CQSZACIVSA-N 326.421 4.824 5 1 EJBF CC[N+](C)(CC)CCO[C@](C)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 100371828 UTVSLCROIUPVOX-SEIRJHJZSA-N 328.520 4.617 5 1 EJBF in-man CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1[N+](=O)[O-] 13491688 MRIVKIPSMKCJEX-UHFFFAOYSA-N 340.807 4.600 5 1 EJBF O=[N+]([O-])c1ccc(Nc2cccc(-c3ccccc3)c2)c2nonc12 95594479 SYBDBQYSNFQGAP-UHFFFAOYSA-N 332.319 4.542 5 1 EJBF Cc1ccc(C)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 587110095 SARKWHOETWUWDU-UHFFFAOYSA-N 349.312 4.698 5 1 EJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl 587048448 VWLMXZBTBTVXDP-DUXPYHPUSA-N 335.697 4.573 5 1 EJBF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 587627396 UTRCUOTTZCCQQW-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF CCCC1(CCC)CCCc2c1cc([N+](=O)[O-])c(N(C)C)c2[N+](=O)[O-] 38695707 RVQKUAUPDSMTMG-UHFFFAOYSA-N 349.431 4.743 5 1 EJBF CCCCNc1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 96934435 CCMZXAMUHDTUNB-UHFFFAOYSA-N 341.414 4.804 5 1 EJBF O=C(c1c(F)ccc(F)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280281 QXHOKOHAVNPTDJ-UHFFFAOYSA-N 337.665 4.504 5 1 EJBF Cc1cc2[nH]c(CCCCCCCCCCCO)nc2cc1[N+](=O)[O-] 586894393 CIXAGKOGYZSQRZ-UHFFFAOYSA-N 347.459 4.825 5 1 EJBF Cc1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587269927 JIBPSUYLFWJHMJ-UHFFFAOYSA-N 330.347 4.509 5 1 EJBF Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1C(F)(F)F 587280309 RXYYHYVLPNXGGW-UHFFFAOYSA-N 349.264 4.899 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1C(C)C 587646842 LKOYOFBEKNKDEH-UHFFFAOYSA-N 337.379 4.760 5 1 EJBF CN(C)CCC[N@@+]1([O-])c2ccccc2Sc2ccc(Cl)cc21 888075727 SUQUPCVMBMERJG-HXUWFJFHSA-N 334.872 4.893 5 1 EJBF Cc1cnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c1 587272368 RFLFVXXXHAADFL-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF Cc1c(-c2nc3cccc(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980005 MHPHVDJLGPISGV-UHFFFAOYSA-N 346.184 4.517 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587644846 DMNNFKUJJHLDJE-UHFFFAOYSA-N 348.280 4.634 5 1 EJBF O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccncc12 1857594378 JMOKLFOWMHQPGJ-SFHVURJKSA-N 343.386 4.639 5 1 EJBF Clc1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cn1 587085829 JVFOUXKGVSCHBK-UHFFFAOYSA-N 330.778 4.980 5 1 EJBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1Cl 587161632 PCBNFPJRMDAFBC-MNOVXSKESA-N 331.734 4.535 5 1 EJBF CCC[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C 587956186 ZCZMVYQEAOXYJT-SNVBAGLBSA-N 340.221 4.773 5 1 EJBF O=[N+]([O-])c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1F 962667316 NOGOJRFYUHEUBK-OAQYLSRUSA-N 348.377 4.636 5 1 EJBF O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2cccnc2)[nH]c2ccccc12 1857584035 DHKGECVFJNULQT-SFHVURJKSA-N 343.386 4.639 5 1 EJBF O=C(O)c1cccc2c1nc(-c1ccc(Cl)cc1)c1ccncc12 73222532 PIYRCLWKQVPONG-UHFFFAOYSA-N 334.762 4.802 5 1 EJBF CC[N+](C)(CC)CCO[C@](C)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@@H]1C2 103285912 UTVSLCROIUPVOX-KRXUUXHPSA-N 328.520 4.617 5 1 EJBF in-man Cc1cc(F)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 587265575 QASSJJJVUARGLG-UHFFFAOYSA-N 337.310 4.846 5 1 EJBF O=[N+]([O-])c1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Cl 587058981 KLLCOLGCQCSIOK-UHFFFAOYSA-N 336.178 4.563 5 1 EJBF O=[N+]([O-])c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 49088252 ULICEVCZEVEQOA-UHFFFAOYSA-N 333.269 4.671 5 1 EJBF Cc1cccc(-c2ccccc2)c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586879948 VHXFIMATABQSBP-UHFFFAOYSA-N 330.347 4.509 5 1 EJBF O=C(c1cc(Cl)cc(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587280020 GWAWLPHIXRMDKD-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF COc1nc2ccccc2c(Sc2ccc(C)cc2)c1[N+](=O)[O-] 95771603 HQDSTYDQCMDAMV-UHFFFAOYSA-N 326.377 4.611 5 1 EJBF O=[N+]([O-])c1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1F 587960471 CPZIWXNBYUTLDV-UHFFFAOYSA-N 347.349 4.868 5 1 EJBF COc1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2OC)cc1 96283606 UWRXWXCFKUNBPS-UHFFFAOYSA-N 332.355 4.630 5 1 EJBF CCCN1[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)c2ccccc2C[C@H]1C 963233876 DKHHKHCRYQKRLY-SZNDQCEHSA-N 349.434 4.822 5 1 EJBF CC(=O)Nc1cccc(N=c2c3ccccc3n(C)c3ccccc23)c1 377472661 UJNSTWRFAPLCKT-UHFFFAOYSA-N 341.414 4.522 5 1 EJBF CCC(C)(CC)c1cc(O)c(Cc2ccc([N+](=O)[O-])cc2)cc1O 45339920 AKQCBEDMAYVXMG-UHFFFAOYSA-N 329.396 4.675 5 1 EJBF Cc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCC3)c2c1 103277754 RPOLTJLMEDUCOE-UHFFFAOYSA-N 348.490 4.648 5 1 EJBF O=C(NC1CCCCC1)Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 13583489 RIWPCSLZXHZIGD-UHFFFAOYSA-N 340.379 4.683 5 1 EJBF CC(C)c1[nH]c2cccc(F)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 587635745 MMARIIRVQQGQTE-UHFFFAOYSA-N 341.342 4.591 5 1 EJBF Cc1ccc(F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1Cl 587280197 NLSYUIZKMXAHFP-UHFFFAOYSA-N 333.702 4.673 5 1 EJBF CN(C)CCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432839 VUMXZAQHDVKTEH-UHFFFAOYSA-N 346.459 4.583 5 1 EJBF biogenic O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCCC[C@H]23)c(C(F)(F)F)c1 95578404 SYDHGHCOJOZBRZ-JSGCOSHPSA-N 342.317 4.687 5 1 EJBF Cc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)cc1C 587920683 KOPTXVPZEJFUFB-UHFFFAOYSA-N 325.393 4.584 5 1 EJBF O=[N+]([O-])c1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 72141017 PWIHSXHFHAQESQ-UHFFFAOYSA-N 336.395 4.654 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1cccc(C(F)(F)F)c1 587645792 DAXCTCHMFWKCGD-UHFFFAOYSA-N 334.297 4.994 5 1 EJBF CC[C@H](C)c1ccc2[nH]c(C(=O)O)c(-c3ccccc3[N+](=O)[O-])c2c1 587642891 PNKWLNCTQGTGDT-NSHDSACASA-N 338.363 4.955 5 1 EJBF CC(=O)OCCc1c2ccccc2c(CCCN(C)C)c2ccccc12 968714 DMFAQYZDZCPCRD-UHFFFAOYSA-N 349.474 4.593 5 3 EJBF O=[N+]([O-])c1ccc(-c2cccnc2)c(OCCCc2ccccc2)c1 299857984 FYPJWRPXWJDUJX-UHFFFAOYSA-N 334.375 4.668 5 1 EJBF CNc1cccc(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 587233854 VYDONEGOVMRJBK-UHFFFAOYSA-N 344.374 4.847 5 1 EJBF Cc1[nH]c2cccc(F)c2c1-c1ccc(Br)cc1[N+](=O)[O-] 587632087 FDBFCDFXCPJLAM-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF CC1(C)C=Cc2cc3c(cc2O1)oc1c2ccc(O)cc2oc(=O)c31 14711585 JOMJKDWBAPDZIF-UHFFFAOYSA-N 334.327 4.582 5 1 EJBF biogenic,in-vitro C[C@@H]1CCCCN1CCn1c2ccccc2c2nc3ccccc3nc21 31847964 WBHRJZOSTUMCQZ-MRXNPFEDSA-N 344.462 4.612 5 1 EJBF O=C(c1ccc(Cl)c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587280496 YNJOGOPRZAZCPZ-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF Cc1ccc([C@@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82162231 FCBYCILQEIARFZ-CQSZACIVSA-N 334.379 4.533 5 1 EJBF CCc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587047739 LQEAYGNNNBJNBM-YVMONPNESA-N 327.771 4.857 5 1 EJBF O=[N+]([O-])c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587055106 RVHLDSGFHHXHGJ-DAXSKMNVSA-N 334.162 4.948 5 1 EJBF Cn1cc2c3cc(Br)ccc3nc-2c2cc(F)ccc21 299868020 ZFSXCKZSWXNOGZ-UHFFFAOYSA-N 329.172 4.733 5 1 EJBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccc(Cl)cc3Cl)nc2c1 45299652 VQONEBSQBNCLEZ-QHHAFSJGSA-N 334.162 4.948 5 1 EJBF O=[N+]([O-])c1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959197 LVCUOEPOEVETAE-UHFFFAOYSA-N 329.359 4.729 5 1 EJBF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc([N+](=O)[O-])cc1 587627492 YJEVNDRAUVTRKX-UHFFFAOYSA-N 328.755 4.577 5 1 EJBF Cc1c(-c2ccc(OCC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645752 CPCFUVCFHXVICK-UHFFFAOYSA-N 332.306 4.695 5 1 EJBF C[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1C(F)(F)F 587097047 GYEGVINUFGNQNY-SECBINFHSA-N 335.285 4.642 5 1 EJBF CCO[C@@H](c1ccccc1[N+](=O)[O-])[C@@H](SC(C)(C)C)n1ccnc1 45385035 VBUYNXWPPKWDER-JKSUJKDBSA-N 349.456 4.599 5 1 EJBF COc1cccc2c1O[C@H](c1cccc3ccccc13)C([N+](=O)[O-])=C2 5955937 PRGUAJTYXMEDET-HXUWFJFHSA-N 333.343 4.600 5 1 EJBF Cc1cc(C)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587048440 VUNUMRYXEDADIG-XQRVVYSFSA-N 327.771 4.912 5 1 EJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(O)cccc4[nH]3)cc2)cc1 587272982 YDVZILGXKCOAGK-UHFFFAOYSA-N 347.330 4.636 5 1 EJBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(OCc3ccccc3)c12 587645422 UJMCXCPCMIQAAG-UHFFFAOYSA-N 336.269 4.674 5 1 EJBF CN(C)c1nc2cc(-c3ccc(Cl)cc3)nnc2c2ccccc12 28759277 PRBNVAJRLQBOJC-UHFFFAOYSA-N 334.810 4.564 5 1 EJBF CCOC(=O)c1c(-c2c3ccccc3nc3ccccc23)noc1C 40863690 VDKDDHOIMWRYGM-UHFFFAOYSA-N 332.359 4.528 5 1 EJBF CC[C@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587062996 ZAESMVAMEJVSMW-HNNXBMFYSA-N 345.786 4.963 5 1 EJBF O=[N+]([O-])c1ccc2c(Cc3ccccc3)c(C(F)(F)Cl)[nH]c2c1 587644941 GFKIBMIBHYQNCA-UHFFFAOYSA-N 336.725 4.955 5 1 EJBF O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)cc3cccnc23)c1 13805266 SRVUGPYWYLBZNI-UHFFFAOYSA-N 327.343 4.872 5 1 EJBF in-vivo C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587068478 BJIWZIKDGCEYBC-JTQLQIEISA-N 343.770 4.501 5 1 EJBF Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cccc1C(F)(F)F 587280439 WYIHSBPAGQHUII-UHFFFAOYSA-N 349.264 4.899 5 1 EJBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(F)(F)F)cc1 587646652 ZKRYUFTWCFOTLE-UHFFFAOYSA-N 336.269 4.771 5 1 EJBF CC(=O)n1c2ccccc2sc2ccc(Cl)cc2n1C(C)=O 137737012 YQVALXQWMBNSMA-UHFFFAOYSA-N 332.812 4.756 5 1 EJBF Cc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1C 587110342 ZVDNSZZINFPBRH-UHFFFAOYSA-N 349.312 4.698 5 1 EJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC)(c2cccc([N+](=O)[O-])c2)N1 962955562 MRUCTNHLNHXFNV-VFNWGFHPSA-N 349.434 4.654 5 1 EJBF O=[N+]([O-])c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2c1 587645979 PLHLVBVTRSLOJS-UHFFFAOYSA-N 333.322 4.944 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1F 586899060 RXLAGYMTINFTGB-UHFFFAOYSA-N 349.321 4.650 5 1 EJBF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587646367 QCWIJSIRENTONV-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc2ccccc2c1 587646666 GKJSKZWMBKZEML-UHFFFAOYSA-N 345.358 4.790 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1F 586897352 BSFZBHWRSRHLHT-UHFFFAOYSA-N 349.321 4.650 5 1 EJBF CCc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587108950 DJQNCJNGCMVUBA-UHFFFAOYSA-N 349.312 4.643 5 1 EJBF Oc1cccc([C@@H](O)c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586891121 MWXOOHFVWPAJDF-OAQYLSRUSA-N 340.382 4.657 5 1 EJBF O=C(c1ccccc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587279855 DTEQDTBQJGANRM-UHFFFAOYSA-N 335.237 4.591 5 1 EJBF Cn1cc2c3cc(Br)ccc3nc-2c2ccc(F)cc21 299854995 AUNFICWDRHQLNV-UHFFFAOYSA-N 329.172 4.733 5 1 EJBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3cccc(F)c3)nc12 1857638467 JLQZSOGNBVOCAP-UHFFFAOYSA-N 347.301 4.599 5 1 EJBF CCOc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Cl)c3[nH]c21 473099731 GZABGNNMQYCDLS-UHFFFAOYSA-N 340.766 4.620 5 1 EJBF Cc1cc2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587095520 IPHPXDSUINVXDH-UHFFFAOYSA-N 349.312 4.698 5 1 EJBF O=[N+]([O-])c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955490 KOJLBLAWKUHQFW-SFHVURJKSA-N 343.386 4.846 5 1 EJBF CC[C@H](Oc1ccccc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587061891 KWHQHHLKTHUYHY-AWEZNQCLSA-N 331.759 4.655 5 1 EJBF CN(C)CCCNc1nc2c3ccc(O)cc3ccc2c2ccccc12 13600438 ZIQNWMJYJOTNIQ-UHFFFAOYSA-N 345.446 4.610 5 1 EJBF COc1ccc(N(c2nc(Cl)ccc2[N+](=O)[O-])C2CCCC2)cc1 95596447 OJDMRDKGDWTZEL-UHFFFAOYSA-N 347.802 4.733 5 1 EJBF O=C(c1cc(F)c(Cl)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587279977 FQBXBWMOUGLWPM-UHFFFAOYSA-N 337.665 4.504 5 1 EJBF O=Cc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2 36377683 CSHLPLIUZBOAGV-UHFFFAOYSA-N 338.370 4.468 5 1 EJBF in-vitro Cc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587047286 FCMNKPOREYMRPY-HWKANZROSA-N 331.734 4.742 5 1 EJBF CC[C@@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587063005 ZCJOHACGZWLJGY-CQSZACIVSA-N 349.749 4.794 5 1 EJBF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1 587645603 ZLWYOSACYRXLLV-UHFFFAOYSA-N 348.280 4.634 5 1 EJBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4cc5ccccc5cc4[nH]c23)O1 26480996 MSGKXWSKKCVRCB-UHFFFAOYSA-N 343.382 4.724 5 1 EJBF O=[N+]([O-])c1ccc(C[C]2C=CN(Cc3cccc(Cl)c3)C=C2)cc1 2356829888 GSVAALXDOGHIFX-UHFFFAOYSA-N 339.802 4.908 5 1 EJBF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1cccc([N+](=O)[O-])c1 2356864933 KFSCBOAUVVZHGI-UHFFFAOYSA-N 343.362 4.626 5 1 EJBF C[C@H]1CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(F)cc1[N+](=O)[O-] 13490460 FLVQAJVWSKGCPZ-JTQLQIEISA-N 342.370 4.991 5 1 EJBF CCC(=O)c1ccc2[nH]c3c(C)c4c(=O)cc(C)[nH]c4c(C)c3c2c1 1647516 DQVPSIFKNRRLQU-UHFFFAOYSA-N 332.403 4.681 5 1 EJBF Cc1cc2[nH]c([C@H](C)SCc3ccccc3)nc2cc1[N+](=O)[O-] 586963300 ZMPCWQUMRYSTBW-LBPRGKRZSA-N 327.409 4.774 5 1 EJBF Cc1ccc2c([C@@H](C[N+](=O)[O-])c3cccs3)c(C3CC3)[nH]c2c1 1857540980 GKTUBFMNCQQQNI-AWEZNQCLSA-N 326.421 4.824 5 1 EJBF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C[N+](=O)[O-])CC[C@@H]12 49067233 COCOYCGUKUKBPV-AJBNAHFZSA-N 343.467 4.704 5 1 EJBF C[C@H]1Cc2c(c3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)oc23)O1 95573218 XCMRUKTWUXDQOM-NSHDSACASA-N 346.342 4.880 5 1 EJBF O=[N+]([O-])c1cccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153262 PDCXTOJLOAOYGX-UHFFFAOYSA-N 333.322 4.944 5 1 EJBF Cc1c(Cc2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587643123 BFVCWUCVBCNKPG-UHFFFAOYSA-N 345.196 4.738 5 1 EJBF C[C@@H]1CCc2sc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2C1 587034134 PIJBNVIBYQCSJZ-MRVPVSSYSA-N 347.827 4.978 5 1 EJBF CC(=O)c1ccc2[nH]c3nccc(Nc4cccc([N+](=O)[O-])c4)c3c2c1 103297338 VCHPXQWCAXPYAS-UHFFFAOYSA-N 346.346 4.571 5 1 EJBF O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1coc2ccc(Cl)cc12 587279069 VDXFVSRSJRDFER-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF Cc1ccc([C@H](OCC(C)(C)C[N+](C)(C)C)c2ccccc2)cc1 4131556 KVCBXTIXYHRCSQ-OAQYLSRUSA-N 326.504 4.833 5 3 EJBF NCCCCCCNc1nc2ccccc2c2[nH]c3ccccc3c12 45385783 YEOWHNOFSNSXHU-UHFFFAOYSA-N 332.451 4.800 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587646340 OWNWSNWJXFFMHA-UHFFFAOYSA-N 330.290 4.553 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(C(C)C)cc1 587646848 LTGLQUSICSVLGB-UHFFFAOYSA-N 337.379 4.760 5 1 EJBF COC(=O)c1cccc2c1[nH]c1c3cc(Br)ccc3oc21 26188732 MVHZQGZXMLGEEV-UHFFFAOYSA-N 344.164 4.616 5 1 EJBF Cc1oc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1[N+](=O)[O-] 587268941 OBSMLLZSXLEPRL-UHFFFAOYSA-N 343.286 4.651 5 1 EJBF C[C@H](CCC(=O)O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587963462 XBTMLSVKVZOMTQ-CYBMUJFWSA-N 332.403 4.913 5 1 EJBF CC(=C(c1ccc(N)cc1)c1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1 1772657339 KIDWIFLPYOPUNA-UHFFFAOYSA-N 345.402 4.738 5 1 EJBF CSc1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)cs2)c1 473091485 YTYRHPBBGGTTGJ-UHFFFAOYSA-N 343.433 4.606 5 1 EJBF CC[C@H](Oc1ccccc1Cl)c1nc2cccc([N+](=O)[O-])c2[nH]1 587061911 LJZGJPOHYNCWGZ-ZDUSSCGKSA-N 331.759 4.655 5 1 EJBF COc1c2c(cc3c(=O)c4cc(Cl)ccc4oc13)OC(C)(C)CC2 96928335 CUWWRBVMFNSMBY-UHFFFAOYSA-N 344.794 4.712 5 1 EJBF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645950 GBAZWSPNLUGVHS-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2cc1[N+](=O)[O-] 587110252 XPWGFNNXJPPDDV-UHFFFAOYSA-N 339.248 4.604 5 1 EJBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587114907 ZBJGNNDFRWWPBH-SNVBAGLBSA-N 349.312 4.836 5 1 EJBF O=[N+]([O-])c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898022 FBJSUFRWNODJDV-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF CN(C)c1nc2ccccc2c2c(=O)c3ccc(Cl)cc3sc12 473170127 QKTAQAYJYXWPIB-UHFFFAOYSA-N 340.835 4.682 5 1 EJBF O=C(c1ccc(F)c(Cl)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280057 HUAORVSRDCFVKK-UHFFFAOYSA-N 337.665 4.504 5 1 EJBF O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1Cl 96935019 BYOMTBMYZQBSDA-UHFFFAOYSA-N 333.778 4.689 5 1 EJBF CC1(C)OC(=O)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586909754 MDQMOFSYBNPTTB-INIZCTEOSA-N 330.387 4.678 5 1 EJBF CC(=O)Nc1ccc2c(c1)c(=Nc1ccccc1)c1ccccc1n2C 26839296 QEPQTDTURFRBAX-UHFFFAOYSA-N 341.414 4.522 5 1 EJBF O=[N+]([O-])c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898650 RFVOWBPITZLRCS-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF Cc1ccc(C)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12 587269908 JAAIFKNGSUCGDA-UHFFFAOYSA-N 344.374 4.817 5 1 EJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1F 587139906 SFTAUYOFTHLQSM-UHFFFAOYSA-N 345.761 4.809 5 1 EJBF CC[N+](C)(CC)CCO[C@@](C)(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@@H]1C2 169292595 UTVSLCROIUPVOX-CZAYHTPWSA-N 328.520 4.617 5 1 EJBF in-man O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccncc2)[nH]c2ccccc12 1857605291 JRWSBBQDOVLQCA-SFHVURJKSA-N 343.386 4.639 5 1 EJBF Cc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c1 587644939 GFDVOPJPMDEDIV-UHFFFAOYSA-N 348.280 4.797 5 1 EJBF Cc1cnc(NCCCN(C)C)c2c3ccc4ccccc4c3n(C)c12 29329085 WEVONHPIAOKUMO-UHFFFAOYSA-N 346.478 4.552 5 1 EJBF O=C(c1c(Cl)cccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279847 DIHSYWBFVVNBIR-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645681 HTSYFAFZMPRLNT-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF C[C@H]1CCCCN1CCn1c2ccccc2c2nc3ccccc3nc21 31847965 WBHRJZOSTUMCQZ-INIZCTEOSA-N 344.462 4.612 5 1 EJBF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587952424 QOUWGNDLMMPVPX-NDGTYSDOSA-N 331.416 4.826 5 1 EJBF O=C(c1ccccc1Cl)c1cc2c(ccc3ccccc32)oc1=O 40950664 MDEVRBYVESNZPL-UHFFFAOYSA-N 334.758 4.831 5 1 EJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2 100055601 BADPXOSJBUEVTR-AERCQKQUSA-N 348.510 4.661 5 1 EJBF in-vitro Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCN(C)C 28760688 IVJADLJDIFWDNZ-UHFFFAOYSA-N 331.463 4.911 5 1 EJBF COc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587930964 IWCYNAKJAUSPKU-UHFFFAOYSA-N 345.358 4.814 5 1 EJBF O=[N+]([O-])c1cccc2[nH]c(C3CCOCC3)c(-c3ccc(F)cc3)c12 587645574 DBZZJWPPIICILL-UHFFFAOYSA-N 340.354 4.776 5 1 EJBF Clc1ccccc1Cn1c2cccc3cccc(c32)n2cnnc12 1772606645 WWHAICOWYUMWIX-UHFFFAOYSA-N 332.794 4.539 5 1 EJBF O=[N+]([O-])c1cccc2c(-c3cccc(C(F)(F)F)c3)cc(O)nc12 299862211 JJAAUYXNBJOFJX-UHFFFAOYSA-N 334.253 4.534 5 1 EJBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)NCCc2cc(Cl)ccc21 963389544 BJMUVWJQWJXQED-IBGZPJMESA-N 344.842 4.587 5 1 EJBF Cc1cc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1[N+](=O)[O-] 587085632 XUPNULMLASIXAR-UHFFFAOYSA-N 338.754 4.648 5 1 EJBF Cc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c([N+](=O)[O-])c1 962659324 FVDKVMLZDCABRA-JOCHJYFZSA-N 344.414 4.805 5 1 EJBF O=[N+]([O-])c1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1 29466396 CBPWJHMOXKYEGK-UHFFFAOYSA-N 345.354 4.521 5 1 EJBF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587644874 PIDATXHSMPYLPP-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Br)c(F)c1 587645917 OPFQKLYHCFXSKP-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c2cccnc12 612234 IWHVQDMXIYIHCP-UHFFFAOYSA-N 333.372 4.842 5 3 EJBF Cc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F 587146496 NUZRFARCFBOUFL-PLNGDYQASA-N 331.734 4.742 5 1 EJBF Cc1c(F)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587132340 BPBWTGSINOVJKK-UHFFFAOYSA-N 346.340 4.913 5 1 EJBF O=C(O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12 66104619 AMEIMZMBRNKSJG-UHFFFAOYSA-N 349.777 4.878 5 1 EJBF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587951819 SOMQOGKOKAOINW-LBPRGKRZSA-N 333.347 4.764 5 1 EJBF O=[N+]([O-])C[C@@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857592262 HLQCOCSLELEEPZ-SFHVURJKSA-N 343.386 4.639 5 1 EJBF O=[N+]([O-])c1cccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586897282 YQECRERQOGLFJC-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF O=[N+]([O-])c1ccc(N2N=C(c3ccco3)C[C@H]2c2ccccc2)cc1 6996131 ZYVHICVEXRPVAG-SFHVURJKSA-N 333.347 4.544 5 3 EJBF CC(=O)OCCOc1cc2c([nH]c3ccccc32)c(C)c2cccc1-2 1658405 IQJWIENRSWUZEU-UHFFFAOYSA-N 333.387 4.676 5 1 EJBF CCC(=O)OCn1ccc2c(C)c3nc4ccccc4c3c(C)c2c1 377841335 GSHHQYUFZNRUED-UHFFFAOYSA-N 332.403 4.870 5 1 EJBF O=C(c1c(F)ccc(Cl)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280413 WIBCYQUAJYQRKP-UHFFFAOYSA-N 337.665 4.504 5 1 EJBF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587644958 SBZPKUQJIWIJIK-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 14954811 QVCSOZKNTATQLJ-UHFFFAOYSA-N 328.396 4.932 5 1 EJBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(F)c(Cl)c12 587631814 VRAIJWNDBHPWNK-UHFFFAOYSA-N 332.718 4.738 5 1 EJBF Cc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cccc1[N+](=O)[O-] 587261243 ZZCIQACAULEANG-UHFFFAOYSA-N 339.248 4.604 5 1 EJBF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587644418 BZWLGHMCJAZDEI-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645115 WGTSISDDUOHWSN-SECBINFHSA-N 344.754 4.585 5 1 EJBF O=[N+]([O-])c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961657 MWCZFIMVTCNIRE-UHFFFAOYSA-N 329.359 4.729 5 1 EJBF CCCC(=O)Nc1ccc2cc3ccc(NC(=O)CCC)cc3nc2c1 28712637 SCZOEVWSNGKUQM-UHFFFAOYSA-N 349.434 4.865 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCCC[C@H]23)cc1C(F)(F)F 95577326 MYRFEWWWKLHDFO-SMDDNHRTSA-N 342.317 4.687 5 1 EJBF CC(=O)Oc1cc(C(C)(C)C)cc2c1OC1(CCCCC1)[N+](C)(C)C2 40818395 WHQIYPMTTGLJSD-UHFFFAOYSA-N 346.491 4.539 5 1 EJBF CCN(CC)CCNc1c2nc3ccccc3c-2n(C)c2ccccc12 169729265 BFCJKJFSRJZDSX-UHFFFAOYSA-N 346.478 4.585 5 1 EJBF Cc1nccc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12 587271873 KFYHUEXDDSGCET-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF Cc1onc(-c2ccccc2)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280008 YESFXDQWVOZQOX-UHFFFAOYSA-N 348.314 4.535 5 1 EJBF CSc1cccc(N=c2[nH]c(-c3ccc([N+](=O)[O-])cc3)cs2)c1 473083677 CVRSZYTUDQNXLF-UHFFFAOYSA-N 343.433 4.606 5 1 EJBF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646383 QZHYZETZZQZYLP-UHFFFAOYSA-N 336.269 4.950 5 1 EJBF Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1C(F)(F)F 587279814 BKQNFHMWRGOYDY-UHFFFAOYSA-N 349.264 4.899 5 1 EJBF O=c1c2ccccc2[nH]c2c(Cl)cc(Cl)c(N3CCCCC3)c12 5543301 SHUBNOIKJDJGQO-UHFFFAOYSA-N 347.245 4.978 5 1 EJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2[nH]1 586971943 BXXDZSMKSQGRMR-UHFFFAOYSA-N 327.409 4.886 5 1 EJBF CCc1nc2c3ccccc3oc2c2c1c(=O)oc1cc(OC)ccc12 28467468 LHPFHDAJRJOZJK-UHFFFAOYSA-N 345.354 4.812 5 1 EJBF O=[N+]([O-])c1cccc(OCCN(c2ccccc2)c2ccccc2)c1 103290683 HKLSRKKPXIUNMT-UHFFFAOYSA-N 334.375 4.812 5 1 EJBF COc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1NC(C)C 587646693 HHOANKQJAHHYBA-UHFFFAOYSA-N 325.368 4.572 5 1 EJBF Cn1cc2c3cc(Br)ccc3nc-2c2cccc(F)c21 299860939 JZZIJJPUGZKIHI-UHFFFAOYSA-N 329.172 4.733 5 1 EJBF Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1nc(O)c1ccccc12 1857584097 BFVWBWDPDYAPDD-CYBMUJFWSA-N 344.414 4.794 5 1 EJBF CC[N+](CC)(CC)COC(=O)[C@@H](c1ccccc1)C1CCCCC1 27527271 SHAOYGKHRNLJLT-FQEVSTJZSA-N 332.508 4.728 5 1 EJBF O=C(c1cc(Cl)sc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280233 PDXFHFXXOGPFCI-UHFFFAOYSA-N 342.159 4.940 5 1 EJBF Cc1[nH]c2cc(F)ccc2c1-c1ccc(Br)cc1[N+](=O)[O-] 587633005 VSKYJXRMCQKBNA-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(OC(F)F)cc1 587645936 FOUXGYDXWGEDAZ-UHFFFAOYSA-N 332.306 4.577 5 1 EJBF O=[N+]([O-])c1ccc(C2=C(c3ccccc3)c3ccc(O)cc3C2)cc1 29478259 UANBYBJHBZFABX-UHFFFAOYSA-N 329.355 4.816 5 1 EJBF Cc1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587565541 LQFQLKSKYYOXBR-UHFFFAOYSA-N 340.386 4.547 5 1 EJBF Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c1OC(C)(C)C=C2 3129005 ZDPGRSSNBGHIRN-UHFFFAOYSA-N 325.364 4.666 5 1 EJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)o1 587264504 HCLKUZHAHZZJMB-UHFFFAOYSA-N 341.273 4.676 5 1 EJBF O=C(CCCCCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2o1 653753155 MBCPYEGBZWHGIC-UHFFFAOYSA-N 338.363 4.722 5 1 EJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)o1 587265149 OUJPFHZCXQMSPT-UHFFFAOYSA-N 341.273 4.676 5 1 EJBF COc1c(-c2cc3c4c(cccc4n2)CC3)cc(Cl)cc1[N+](=O)[O-] 587209491 QJEFNHXFHBIUKF-UHFFFAOYSA-N 340.766 4.571 5 1 EJBF CC(C)O[P@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 28264549 NOJFFNGZHHRORS-HSZRJFAPSA-N 337.268 4.586 5 1 EJBF Cc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1C 587047769 MPLGEKIRIKYQNK-XQRVVYSFSA-N 327.771 4.912 5 1 EJBF CC(C)=CCC/C(C)=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587969250 XETYELNFPOOJBZ-YRNVUSSQSA-N 330.344 4.529 5 1 EJBF CC[N+](C)(CC)CCO[C@](C)(c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 100371834 UTVSLCROIUPVOX-BLKABHOGSA-N 328.520 4.617 5 1 EJBF in-man O=[N+]([O-])c1ccc(N2N=C(c3ccco3)C[C@@H]2c2ccccc2)cc1 6996132 ZYVHICVEXRPVAG-GOSISDBHSA-N 333.347 4.544 5 3 EJBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1Cl 587149041 LOXTYEYSYXCSHT-DUXPYHPUSA-N 335.697 4.573 5 1 EJBF Clc1ccc(Cn2c3cccc4cccc(c43)n3cnnc23)cc1 1772581234 RMASBNKOBBSCQH-UHFFFAOYSA-N 332.794 4.539 5 1 EJBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587067699 LRWGCRIGGHHEAH-SNVBAGLBSA-N 331.759 4.573 5 1 EJBF Nc1ncc(Cl)nc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587086389 IJCJDFAMYHPPAB-UHFFFAOYSA-N 345.793 4.562 5 1 EJBF CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2cccc([N+](=O)[O-])c12 587646704 HZWBRDDATUWLBU-UHFFFAOYSA-N 345.402 4.958 5 1 EJBF O=C(c1cc2c(s1)CCCC2)c1coc2cc([N+](=O)[O-])ccc12 587280641 OSGTWLUPATUDTG-UHFFFAOYSA-N 327.361 4.512 5 1 EJBF CC(C)=CCCC(C)=CCC=C(C)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1 2356820261 COVDAEBDAVGGFK-GOSISDBHSA-N 332.444 4.855 5 1 EJBF CC(=O)Nc1ccc(N=c2c3ccccc3n(C)c3ccccc23)cc1 377472660 QHGKRLDQSQSYLJ-UHFFFAOYSA-N 341.414 4.522 5 1 EJBF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1C 587646174 KXDVMDPVCHITOC-UHFFFAOYSA-N 344.317 4.862 5 1 EJBF O=[N+]([O-])c1ccc(COc2cc(O)nc3c2ccc2ccccc23)cc1 1772589843 GBAHGRKYTBBSAR-UHFFFAOYSA-N 346.342 4.581 5 1 EJBF O=c1c2ccc(Nc3ccc(F)cc3F)cc2ccc2ncccc12 40901586 VSQHEDJSDFTDQR-UHFFFAOYSA-N 334.325 4.770 5 1 EJBF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1cccc([N+](=O)[O-])c1 73222981 XRZKANPSQFDLFE-UHFFFAOYSA-N 348.358 4.568 5 1 EJBF CC(C)=CCC/C(C)=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587969248 XETYELNFPOOJBZ-XFFZJAGNSA-N 330.344 4.529 5 1 EJBF CCO[C@H](c1ccccc1[N+](=O)[O-])[C@H](SC(C)(C)C)n1ccnc1 45385032 VBUYNXWPPKWDER-CVEARBPZSA-N 349.456 4.599 5 1 EJBF Cc1cc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1[N+](=O)[O-] 587087948 PTSHRZPOYISCEN-UHFFFAOYSA-N 326.743 4.581 5 1 EJBF O=C1C[C@@H](c2cc3ccc4ccccc4c3nc2O)Nc2ccccc21 1857750486 VDIMFZRESCYKKU-IBGZPJMESA-N 340.382 4.833 5 1 EJBF CCCCc1nc(NCc2ccc([N+](=O)[O-])cc2)c2sccc2n1 13781392 LMROPTKYXDWJAV-UHFFFAOYSA-N 342.424 4.554 5 1 EJBF Cc1cc(Cl)cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139605 LVOYCXJSNUXTLN-UHFFFAOYSA-N 340.141 4.892 5 1 EJBF O=[N+]([O-])c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894638 PRCUBNRGDDUXOH-UHFFFAOYSA-N 333.432 4.517 5 1 EJBF OCCCNc1c2c3ccccc3nc-2oc2ccc(Cl)cc12 95575977 DBKJIUTYNMWPOL-UHFFFAOYSA-N 326.783 4.534 5 1 EJBF Cc1cc(C)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587109436 JQTCIFOQOLFNRS-UHFFFAOYSA-N 349.312 4.698 5 1 EJBF Cc1cncc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272639 XCAKYJCSYCWWQJ-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF Brc1c2nc3ccccc3nc2n2ccc3ccccc3c12 1633732 HBLBVUNRKGGUAF-UHFFFAOYSA-N 348.203 4.951 5 1 EJBF CN[C@@H](c1cccnc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587227291 XZTCGMXICQAHCB-IBGZPJMESA-N 338.414 4.573 5 1 EJBF O=[N+]([O-])c1cccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)c1 29466399 QKSBADUJGCJFHF-UHFFFAOYSA-N 345.354 4.521 5 1 EJBF CC(=O)Nc1ccc(Cc2c3ccccc3nc3ccccc23)cc1 169347088 NYKKWWDIEYZWHR-UHFFFAOYSA-N 326.399 4.937 5 1 EJBF COc1ccc(CCCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279571 LWNCNRGTSNHNNQ-UHFFFAOYSA-N 339.347 4.555 5 1 EJBF O=[N+]([O-])c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587074102 PWTQTLZFQLSALX-UHFFFAOYSA-N 327.771 4.595 5 1 EJBF Cn1c2c(C(=O)O)cccc2c2oc3ccc(Br)cc3c21 26178491 YCDUFMAMSPCTLS-UHFFFAOYSA-N 344.164 4.538 5 1 EJBF Cc1cc(OCC(=O)c2coc3ccc(Cl)cc23)ccc1[N+](=O)[O-] 587276176 MMFSGERFMLMTOW-UHFFFAOYSA-N 345.738 4.565 5 1 EJBF Cc1cc2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc2cc1[N+](=O)[O-] 586898160 MRKZGCBXIXYMCE-UHFFFAOYSA-N 345.358 4.819 5 1 EJBF O=c1c2ccc(OCc3ccccc3)cc2[nH]c2cc(F)cc(F)c12 1911582947 PDYZBTRYJDSUFW-UHFFFAOYSA-N 337.325 4.539 5 1 EJBF CC1(C)OC(=O)C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586909755 MDQMOFSYBNPTTB-MRXNPFEDSA-N 330.387 4.678 5 1 EJBF Cc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c([N+](=O)[O-])c1 962659332 FVDKVMLZDCABRA-QFIPXVFZSA-N 344.414 4.805 5 1 EJBF COc1cc([N+](=O)[O-])c2nccc(Oc3ccc(Cl)cc3)c2c1 32286667 SLKVVMNTGIWFQG-UHFFFAOYSA-N 330.727 4.597 5 1 EJBF O=[N+]([O-])c1ccc(Cn2ccc3c4cc(Cl)ccc4nc-3c2)cc1 377816225 CSSRFHSVYCDCAC-UHFFFAOYSA-N 337.766 4.751 5 1 EJBF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587172210 ZTRKEEYABSLJNX-JTQLQIEISA-N 331.372 4.506 5 1 EJBF CSc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587138893 AOLBRWWWGSDYGR-UHFFFAOYSA-N 337.763 4.653 5 1 EJBF CN(C)CCCCCCn1c2ccccc2c2nc3ccccc3nc21 1772650410 GMNCDZKYPLHWOE-UHFFFAOYSA-N 346.478 4.860 5 1 EJBF O=[n+]1c2c(n(O)c3ccc4ccccc4c31)-c1cccc3cccc-2c13 136807765 WDWGIURORIIRJO-UHFFFAOYSA-N 337.358 4.747 5 1 EJBF Cc1cc(Br)c2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1 587261217 ZCXYNHRJKFLVLA-UHFFFAOYSA-N 346.184 4.517 5 1 EJBF O=C(O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ccncc12 66111488 YPILJHDFYFBQCV-UHFFFAOYSA-N 349.777 4.878 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1Br 587643708 ITRXAFVPOXVFNU-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF Ic1c2ccccc2nc2c1oc1ccccc12 34512506 KGPJRTFDDVNEFB-UHFFFAOYSA-N 345.139 4.739 5 1 EJBF O=[N+]([O-])c1cccc(-c2c(-c3ccc(F)cc3)nc3ccccn23)c1 95575969 OBWXBTIIPATYEI-UHFFFAOYSA-N 333.322 4.716 5 1 EJBF O=C(Nc1ccc2nc3ccccc3nc2c1)c1cccc(Cl)c1 96935020 VHNPHPVDCWKLHH-UHFFFAOYSA-N 333.778 4.689 5 1 EJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1 587264251 DXAQBQXYLHOOBJ-UHFFFAOYSA-N 341.273 4.676 5 1 EJBF Cc1cc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2cc1[N+](=O)[O-] 587131554 NMRYBHXWHOQCQW-UHFFFAOYSA-N 343.333 4.661 5 1 EJBF O=[N+]([O-])c1cccc2c(Sc3ccc(Cl)cc3)cc(O)nc12 299867626 QKHJMEVBEKEUOD-UHFFFAOYSA-N 332.768 4.653 5 1 EJBF C=Cc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 586881026 JWKIFGGYYBNOJO-UHFFFAOYSA-N 344.168 4.544 5 1 EJBF COc1ccc2c(ccc3c4ccccc4c(NCCN(C)C)nc23)c1 13600432 GWJZVWDRQSHAFE-UHFFFAOYSA-N 345.446 4.523 5 1 EJBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2)c1C 82158045 PWYQJOKDOYINBX-UHFFFAOYSA-N 348.402 4.931 5 1 EJBF CC(C)=CCn1c2cc(=O)c3cc(C)ccc3c-2nc2ccccc21 73278200 XLBCUFQQXOWFER-UHFFFAOYSA-N 328.415 4.929 5 1 EJBF Cc1cc(Oc2cc(O)nc3c([N+](=O)[O-])cccc23)ccc1Cl 299869532 UXJQTLUYLWUZHK-UHFFFAOYSA-N 330.727 4.603 5 1 EJBF Cc1cc2[nH]c([C@@H](C)SCc3ccccc3)nc2cc1[N+](=O)[O-] 586963299 ZMPCWQUMRYSTBW-GFCCVEGCSA-N 327.409 4.774 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc2ccccc2c1 587646746 JSPFLSIXVNSOMF-UHFFFAOYSA-N 345.358 4.790 5 1 EJBF O=[N+]([O-])c1ccccc1-c1ccc(/C=C/c2nc3ccccc3[nH]2)o1 28861743 LVNLDYDOTSCTJX-ZRDIBKRKSA-N 331.331 4.902 5 1 EJBF COc1ccc2c(Oc3cccc([N+](=O)[O-])c3)c3ccoc3nc2c1 29043879 XMSBHGJGXRHQEH-UHFFFAOYSA-N 336.303 4.690 5 1 EJBF CCO[C@@H](c1ccccc1[N+](=O)[O-])[C@H](SC(C)(C)C)n1ccnc1 45385026 VBUYNXWPPKWDER-HOTGVXAUSA-N 349.456 4.599 5 1 EJBF CCO[C@H](c1ccccc1[N+](=O)[O-])[C@@H](SC(C)(C)C)n1ccnc1 45385040 VBUYNXWPPKWDER-HZPDHXFCSA-N 349.456 4.599 5 1 EJBF O=C1NC(=O)c2c1c1ccc3ccccc3c1c1[nH]c3ccccc3c21 13554103 OTSOUZLQIZEBBB-UHFFFAOYSA-N 336.350 4.511 5 1 EJBF COc1ccc2ccc3c4ccccc4c(NCCN(C)C)nc3c2c1 27196544 RRBNIXPDSLXORD-UHFFFAOYSA-N 345.446 4.523 5 1 EJBF O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12 59222766 ZDVURXSHLHGWLN-UHFFFAOYSA-N 334.762 4.802 5 1 EJBF Cc1ccc(-c2cc(NC[C@H](C)c3ccccc3)ncn2)cc1[N+](=O)[O-] 82161997 ISZTYFKWDWMQIT-HNNXBMFYSA-N 348.406 4.576 5 1 EJBF Cc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1C 587270932 XJWKCMIRXKWUMZ-UHFFFAOYSA-N 344.374 4.817 5 1 EJBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(F)(F)F)cc1 587646608 XGENRIMXQCGQQH-UHFFFAOYSA-N 336.269 4.771 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)cc1 98082255 WDUOGYRHQBFPGK-HNNXBMFYSA-N 337.162 4.767 5 1 EJBF O=[N+]([O-])c1cccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587145331 KWWKNWGYUQHIGZ-UHFFFAOYSA-N 347.349 4.868 5 1 EJBF O=[N+]([O-])CCCCCCN1c2ccccc2Sc2cccnc21 653715474 RRFDXYYFXGMXLX-UHFFFAOYSA-N 329.425 4.521 5 1 EJBF Cc1cnc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c1 586973133 ODJBMWIXUJYOPL-UHFFFAOYSA-N 342.424 4.590 5 1 EJBF O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)c1 103940154 CNYVZLNLCUKKAK-IBGZPJMESA-N 335.363 4.830 5 1 EJBF C(=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1)\c1ccsc1 587026335 UAVNZULFKGWNTN-AATRIKPKSA-N 328.400 4.891 5 1 EJBF CCc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270832 UVVZACMVFTZXDD-UHFFFAOYSA-N 344.374 4.763 5 1 EJBF Nc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1 587647698 MUTDCMCOZVPHJQ-UHFFFAOYSA-N 329.359 4.992 5 1 EJBF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644699 KUZOJCVBBCSYIL-UHFFFAOYSA-N 344.754 4.573 5 1 EJBF O=[N+]([O-])c1csc2c(Cl)nc(/C=C/c3ccc(F)cc3)nc12 1857588914 FKYGTNYRZLNELJ-ZZXKWVIFSA-N 335.747 4.562 5 1 EJBF O=[N+]([O-])c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896914 LXYUMLVNYSPBCR-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF O=[S@@](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)CC1CC1 586959225 MIZLRXXIQSBETG-XMMPIXPASA-N 334.444 4.528 5 1 EJBF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587644455 DPOXSQYCJNTKSW-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1coc2ccc(Cl)cc12 587278468 NWQMVBGOBGNXHD-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587952360 PMXODWJMJJBVRG-UVWXRNBGSA-N 335.379 4.657 5 1 EJBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ncccc12 66104620 KQWMCCSNKLDXOD-UHFFFAOYSA-N 349.777 4.878 5 1 EJBF C[N+]1(CCc2ccccc2)CCC(C(=O)c2ccc(Cl)cc2)CC1 473110937 YBQCYKVJCJFFEK-UHFFFAOYSA-N 342.890 4.622 5 1 EJBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2cccnc2)cc1 587648475 FHPQHNPVMXFQQR-UHFFFAOYSA-N 345.358 4.814 5 1 EJBF Cc1c(-c2cc(Br)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587644088 MMRCOPTXMVTLMO-UHFFFAOYSA-N 347.168 4.520 5 1 EJBF CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)CCCC2 653816399 MOYHOURRXKVWQQ-SNAWJCMRSA-N 336.435 4.619 5 1 EJBF COc1cccc2c(Oc3ccc(CO)cc3)c3ccccc3nc12 26963026 BOWOPZVCNYNWIX-UHFFFAOYSA-N 331.371 4.681 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(F)cc1Br 587646067 SLDLIWAXPUVAHI-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 73221530 AVYYURWQBJQNLD-UHFFFAOYSA-N 330.778 4.980 5 1 EJBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C12CC3CC(CC(C3)C1)C2 587279881 RVXQPYVEUQJTDM-UHFFFAOYSA-N 325.364 4.740 5 1 EJBF C[C@@H]1Cc2c(c3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)oc23)O1 95573217 XCMRUKTWUXDQOM-LLVKDONJSA-N 346.342 4.880 5 1 EJBF CC(C)=CCOc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 1857628063 SRUOMMMWYIPAMH-UHFFFAOYSA-N 341.367 4.584 5 1 EJBF O=C(O)c1ccc2c(c1)nc(-c1cccc(Cl)c1)c1ccncc12 59222588 MPVHUOFFHBLBCZ-UHFFFAOYSA-N 334.762 4.802 5 1 EJBF O=C(CCc1ccc(Cl)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280372 VBDRGANNLPESNC-UHFFFAOYSA-N 329.739 4.810 5 1 EJBF Cc1ccnc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c12 587271835 JNGXMOJCWWLDKU-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF Cc1cc(OCCc2c(C)[nH]c3cccc([N+](=O)[O-])c23)ccc1Cl 587645143 XHXHDKAKFOJDKT-UHFFFAOYSA-N 344.798 4.968 5 1 EJBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587068479 BJIWZIKDGCEYBC-SNVBAGLBSA-N 343.770 4.501 5 1 EJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(c2cccc([N+](=O)[O-])c2)N1 962955568 MRUCTNHLNHXFNV-YCRPNKLZSA-N 349.434 4.654 5 1 EJBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc([N+](=O)[O-])ccc1Cl 963235046 FLWSENHKXWIUCP-DJJJIMSYSA-N 344.842 4.994 5 1 EJBF O=c1c2cc(OCc3ccccc3)ccc2[nH]c2cc(F)c(F)cc12 84652767 ZMDOBVPZTVFAHZ-UHFFFAOYSA-N 337.325 4.539 5 1 EJBF O=[N+]([O-])c1cccc2c(-c3ccc(C(F)(F)F)cc3)cc(O)nc12 299868466 RKTHUGFLEPFHBN-UHFFFAOYSA-N 334.253 4.534 5 1 EJBF CCCC(Br)(CCC)c1nc2cccc([N+](=O)[O-])c2[nH]1 586971737 XGOSFKJNALUWIM-UHFFFAOYSA-N 340.221 4.662 5 1 EJBF O=C(c1cc2cc(F)ccc2s1)c1coc2cc([N+](=O)[O-])ccc12 587280178 MOPLTKJITMMGEU-UHFFFAOYSA-N 341.319 4.926 5 1 EJBF Cc1c(-c2nc3ccc(Br)c(C)c3[nH]2)cccc1[N+](=O)[O-] 587260977 NSOJAZYWZQOGNU-UHFFFAOYSA-N 346.184 4.517 5 1 EJBF Cc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Br 587260860 JIHDQFQSFIMXCR-UHFFFAOYSA-N 346.184 4.517 5 1 EJBF O=[N+]([O-])c1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1 587920270 GUCYBBYNQICAHL-UHFFFAOYSA-N 330.796 4.963 5 1 EJBF Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645780 CYLMCRDXQYXWDR-UHFFFAOYSA-N 336.269 4.950 5 1 EJBF O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Oc2ccccc21 95575161 HORYLVQODYGBBZ-UHFFFAOYSA-N 332.315 4.679 5 1 EJBF C[C@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587170321 OKRMZBMXCGAAHC-SECBINFHSA-N 349.362 4.645 5 1 EJBF Cc1cc2c(c(C)c1Cl)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1)O2 96927854 UOMWASJEENJPLV-AWEZNQCLSA-N 331.755 4.572 5 1 EJBF CCN(CC)CCOc1c2ccccc2nc2c1[nH]c1ccccc12 64539005 DZTSYVXFNSQLSJ-UHFFFAOYSA-N 333.435 4.590 5 1 EJBF [O-][N+](CCc1c[nH]c2ccccc12)(Cc1ccco1)Cc1ccco1 71340835 VWGXEHQUMYFLHD-UHFFFAOYSA-N 336.391 4.611 5 1 EJBF COc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2OC)cc1 96283607 RCISARBEZYGOIW-UHFFFAOYSA-N 332.355 4.630 5 1 EJBF Cc1nccc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc12 586972332 HNRNAZPDZMRNBY-UHFFFAOYSA-N 342.424 4.590 5 1 EJBF C[n+]1c2ccc(Cl)cc2cc2[nH]c3ccc(Br)cc3c21 6744941 GZOAUGMGVVYKJM-UHFFFAOYSA-O 346.635 4.715 5 1 EJBF Cc1ccc(O[C@@H](C)C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)c1 587279563 LOJJARBGBJFBAV-ZDUSSCGKSA-N 339.347 4.608 5 1 EJBF C(=C\c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccsc1 587025773 NVLQULSSLVNHAR-WAYWQWQTSA-N 328.400 4.891 5 1 EJBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c[nH]c2cccc([N+](=O)[O-])c12 963233868 DKHHKHCRYQKRLY-QKKBWIMNSA-N 349.434 4.822 5 1 EJBF CCCN(CCC)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 103190781 YVLHJIPWKWBCBR-UHFFFAOYSA-N 349.431 4.743 5 1 EJBF Cc1ccc([C@@H](OCC(C)(C)C[N+](C)(C)C)c2ccccc2)cc1 4131559 KVCBXTIXYHRCSQ-NRFANRHFSA-N 326.504 4.833 5 3 EJBF Cn1c2c3cc(Br)ccc3nc-2cc2cc(F)ccc21 38347785 JGKZBSUDOLKBKZ-UHFFFAOYSA-N 329.172 4.733 5 1 EJBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c[nH]c2cccc([N+](=O)[O-])c12 963233873 DKHHKHCRYQKRLY-SPLOXXLWSA-N 349.434 4.822 5 1 EJBF Fc1ccc(S)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587142440 AEBVGYNHULJXBS-UHFFFAOYSA-N 346.390 4.754 5 1 EJBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cc1 587645060 JLIUBLGFFHHLJQ-UHFFFAOYSA-N 348.280 4.797 5 1 EJBF O=[N+]([O-])c1cccc(/C=C2/CCc3c2nc2cccc4c2c3CC4)c1 587211193 NCOUGNDGDCCBSU-PTNGSMBKSA-N 328.371 4.728 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1cccc(C(F)(F)F)c1 587646166 KSWJVVBISNQNOC-UHFFFAOYSA-N 334.297 4.994 5 1 EJBF C[n+]1c2cc(Cl)ccc2cc2[nH]c3ccc(Br)cc3c21 28476026 RZQUEWSVVYPRCH-UHFFFAOYSA-O 346.635 4.715 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882697 ADEDHYGMTDPPOU-BHGXRVDKSA-N 331.803 4.592 5 1 EJBF Cc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1[N+](=O)[O-] 587023600 MXZPCWNIDNDRNF-UHFFFAOYSA-N 342.405 4.632 5 1 EJBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccccc4Cl)o3)oc2c1 1857543315 JFDFXMKZMCWTLW-UHFFFAOYSA-N 341.710 4.711 5 1 EJBF O=[N+]([O-])c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587055110 RVHLDSGFHHXHGJ-QPJJXVBHSA-N 334.162 4.948 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587111330 AIBKZDCZTGFFCY-UHFFFAOYSA-N 341.676 4.810 5 1 EJBF CCC(C)(C)c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 586880104 CIXUJQDKROLISA-UHFFFAOYSA-N 327.359 4.965 5 1 EJBF C[C@H](CCc1nc2c3ccccc3c3ccccc3c2[nH]1)CC(=O)O 587963242 REBDJBVSYLORCH-CYBMUJFWSA-N 332.403 4.913 5 1 EJBF Cc1ccc(NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl 13811893 UVCVHWXKFNFLOI-UHFFFAOYSA-N 335.816 4.674 5 1 EJBF Cc1cc2[nH]c([C@H](C)CSc3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587170559 DEBHAHOYYAMFBD-LLVKDONJSA-N 345.399 4.814 5 1 EJBF C[C@@H](OC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 40394505 BKBMCVCFEORPSU-SNVBAGLBSA-N 336.800 4.723 5 1 EJBF CN(C)c1cc2c3scnc3c3nccc4c3c2n1-c1ccccc1-4 14715149 ZUQOELSPTHXFAS-UHFFFAOYSA-N 342.427 4.835 5 1 EJBF biogenic C[C@@H]1CC(C)(C)Nc2ccc3c(c21)COc1c-3cc(F)cc1[N+](=O)[O-] 13490459 FLVQAJVWSKGCPZ-SNVBAGLBSA-N 342.370 4.991 5 1 EJBF C[n+]1c2ccccc2cc2[nH]c3cc(Cl)c(Br)cc3c21 13555479 WOPHQCABXGKYJP-UHFFFAOYSA-O 346.635 4.715 5 1 EJBF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587645087 UZLLLCCZVRNDDP-UHFFFAOYSA-N 344.754 4.573 5 1 EJBF CC/C(=C\c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(C)cc1 587968426 SOZIHMPTUQZDRH-XYOKQWHBSA-N 325.343 4.869 5 1 EJBF Cc1cc(F)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047818 OEPCZDVTKLJMGI-HYXAFXHYSA-N 331.734 4.742 5 1 EJBF CC(=O)n1c2ccccc2sc2cccc(Cl)c2n1C(C)=O 66258598 WXINTIBNCAQMMV-UHFFFAOYSA-N 332.812 4.756 5 1 EJBF O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587269501 DTERQNTWSPLROM-UHFFFAOYSA-N 336.178 4.563 5 1 EJBF CC(C)=CCC[C@@H](C)c1c2nc3ccccc3[nH]c-2c(C)c(=O)c1O 103016223 QXZIUQFTMTZJQN-CYBMUJFWSA-N 336.435 4.892 5 1 EJBF COc1ccc(CNc2ccnc3oc4ccc([N+](=O)[O-])cc4c23)cc1 1857641759 ARGHVEBVLOSWSZ-UHFFFAOYSA-N 349.346 4.510 5 1 EJBF Fc1ccc(C[n+]2c3ccccc3cc3[nH]c4ccccc4c32)cc1 13555483 WWKKAZGFEOLQGZ-UHFFFAOYSA-O 327.382 4.949 5 1 EJBF O=[N+]([O-])c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882700 ADEDHYGMTDPPOU-YBIKONCISA-N 331.803 4.592 5 1 EJBF C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccsc1 587025769 NVLQULSSLVNHAR-AATRIKPKSA-N 328.400 4.891 5 1 EJBF Cc1ccc(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)c1 586962928 CIRKPERHTYXWOY-UHFFFAOYSA-N 331.372 4.519 5 1 EJBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 13612041 ZBWXPJPIZQAKGA-UHFFFAOYSA-N 331.331 4.930 5 1 EJBF in-vivo COc1cc2c3c(c4ccccc4c2cc1OC)CN1CCC[C@@H]1C3 28817928 MDMIGAZBGNORSH-CQSZACIVSA-N 333.431 4.531 5 1 EJBF O=[N+]([O-])c1ccc(-c2nc3cc4cccnc4cc3[nH]2)c2ccccc12 73224645 PTQNRTGOLOBXAE-UHFFFAOYSA-N 340.342 4.840 5 1 EJBF O=[S@](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)CC1CC1 586959217 MIZLRXXIQSBETG-DEOSSOPVSA-N 334.444 4.528 5 1 EJBF O=[N+]([O-])c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1 1649264742 LIUFZADAAROVBK-UHFFFAOYSA-N 343.342 4.997 5 1 EJBF O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)cn1 5594132 QTKORYOEJIXOSL-UHFFFAOYSA-N 333.372 4.842 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCCC[C@H]23)c(C(F)(F)F)c1 95578405 SYDHGHCOJOZBRZ-GXTWGEPZSA-N 342.317 4.687 5 1 EJBF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587952359 PMXODWJMJJBVRG-USBNGQNGSA-N 335.379 4.657 5 1 EJBF COC(=O)c1cc(Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] 1857589223 ICSCAUGSEASKKL-UHFFFAOYSA-N 348.358 4.792 5 1 EJBF O=[N+]([O-])c1ccc(Cc2nc(-c3cc(F)ccc3F)cs2)cc1 587921962 DSJORUXJKUXKGP-UHFFFAOYSA-N 332.331 4.587 5 1 EJBF Cc1c(-c2cc(Br)ccc2F)[nH]c2cccc([N+](=O)[O-])c12 587646357 PROYPPYRQKHQIW-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF CC(C)=CCc1c(O)ccc2c1oc1c3ccc(O)cc3oc(=O)c21 49073510 MQKLGUOASGICKG-UHFFFAOYSA-N 336.343 4.612 5 1 EJBF endogenous,in-man Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Br)cc1 587644508 YHEVVCMUJHXYAX-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF CC1(C)CCc2cc3c(cc2O1)oc(=O)c1c2cccc(O)c2oc31 33832031 IHQGOXPJZNAHOY-UHFFFAOYSA-N 336.343 4.502 5 1 EJBF biogenic,in-vitro COc1cccc2c1O[C@@H](c1cccc3ccccc13)C([N+](=O)[O-])=C2 1642544 PRGUAJTYXMEDET-FQEVSTJZSA-N 333.343 4.600 5 1 EJBF Cc1cc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2cc1[N+](=O)[O-] 587174282 GBWJOYHOOXCJHS-UHFFFAOYSA-N 344.733 4.720 5 1 EJBF O=[N+]([O-])c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1F 587959895 XOCUCCLDSRGWGF-UHFFFAOYSA-N 347.349 4.868 5 1 EJBF O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21 13554102 HVVKFYHINSILFO-UHFFFAOYSA-N 336.350 4.511 5 1 EJBF O=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12 95576139 KBCNYFSQJKWKKP-UHFFFAOYSA-N 342.358 4.949 5 1 EJBF CC(=O)Oc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1 1772628448 JSIAMMHYSAIFLI-UHFFFAOYSA-N 330.339 4.539 5 1 EJBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc([N+](=O)[O-])c(F)c1F 963241655 NDELRLMKTGTPTF-CWTRNNRKSA-N 346.377 4.619 5 1 EJBF Cn1c2nc3ccccc3c-2c(NCCCCCCN)c2ccccc21 103079720 YXJACQXUXSSSJD-UHFFFAOYSA-N 346.478 4.762 5 1 EJBF Cc1ccc(O[C@H](C)C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)c1 587279562 LOJJARBGBJFBAV-CYBMUJFWSA-N 339.347 4.608 5 1 EJBF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1 73221786 LOIQYDYENJETMJ-UHFFFAOYSA-N 348.358 4.568 5 1 EJBF Cc1oc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1[N+](=O)[O-] 587269146 QXISDFOKUSXQAP-UHFFFAOYSA-N 349.346 4.619 5 1 EJBF O=[N+]([O-])c1ccc2c(CF)c(-c3ccccc3Br)[nH]c2c1 587646235 LTXBFXBTBVBTJY-UHFFFAOYSA-N 349.159 4.975 5 1 EJBF Cc1ccc(C)c(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587959241 OBODYKGUAWALCP-UHFFFAOYSA-N 338.414 4.867 5 1 EJBF O=[N+]([O-])C[C@@H](c1cccnc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857589780 QMYMQVWCVKOWEU-SFHVURJKSA-N 343.386 4.639 5 1 EJBF CC(=O)c1nc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1 1772634812 YRPZLLZKMDJJIT-UHFFFAOYSA-N 349.220 4.712 5 1 EJBF O=[N+]([O-])c1cccc(-c2ccc(/C=C/c3nc4ccccc4[nH]3)o2)c1 28861741 DKAVYNTVMXEJSN-PKNBQFBNSA-N 331.331 4.902 5 1 EJBF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587952358 PMXODWJMJJBVRG-MMPTUQATSA-N 335.379 4.657 5 1 EJBF CCCn1c(=O)c(-c2ccccc2)nc2cc3cccnc3c(Cl)c21 653771316 FVZIAFSNAKADJZ-UHFFFAOYSA-N 349.821 4.675 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Cl 587088029 SGWZLOVRFFISDF-UHFFFAOYSA-N 347.161 4.926 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1Br 587644560 ZUGVZLVJHMQMAI-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF CC(C)=CCOc1cccc(NC(=O)Nc2ccccc2[N+](=O)[O-])c1 1772584963 KEBZQYFXFMFYBD-UHFFFAOYSA-N 341.367 4.584 5 1 EJBF Nc1cc(F)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1N 587137209 TWTRCVSBVHZGCU-UHFFFAOYSA-N 342.377 4.840 5 1 EJBF CC(=O)n1c2ccccc2sc2cc(Cl)ccc2n1C(C)=O 137736904 BQCYNBXNJHMKMI-UHFFFAOYSA-N 332.812 4.756 5 1 EJBF Cc1ccc2ccccc2c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586883784 NWRPNKRQSCPVRE-UHFFFAOYSA-N 348.318 4.508 5 1 EJBF Cc1c(-c2ccc(Br)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587646149 VNIBMXCHVRLBGM-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF CCN(CC)Cc1ccc2c(c1)oc1cc3oc(=O)cc(C)c3cc12 26748631 MXFKKVDCRWZPJE-UHFFFAOYSA-N 335.403 4.843 5 1 EJBF CCCCCn1c2cc(OC)ccc2c2cc[n+]3nc(C)c(C)cc3c21 26579085 OMNWCEVJQQQIDW-UHFFFAOYSA-N 348.470 4.744 5 1 EJBF Fc1ccc(S)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587142600 HNPOLEWGUYNFKN-UHFFFAOYSA-N 346.390 4.754 5 1 EJBF O=C(c1cc([N+](=O)[O-])ccc1Cl)c1coc2ccc(Cl)cc12 587279261 ZMQQRHFCKIGTJG-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(=O)O 33913497 PANKHBYNKQNAHN-MWAMITIYSA-N 328.408 4.609 5 1 EJBF CC[N+](CC)(CC)Cc1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 39060267 NNSLFXIAZFEMKH-UHFFFAOYSA-N 342.459 4.841 5 1 EJBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587070838 XKBQHRSMOKIRLZ-SNVBAGLBSA-N 343.770 4.501 5 1 EJBF Cc1cc(C)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587270780 UIUNEQQWHGUKBU-UHFFFAOYSA-N 344.374 4.817 5 1 EJBF CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587156311 TZLXBMWEMIANDO-AWEZNQCLSA-N 349.749 4.794 5 1 EJBF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644397 APCFZLKZSSLSMR-UHFFFAOYSA-N 344.754 4.573 5 1 EJBF COc1ccc2c(c(C)nc3c4cc5c(cc4ccc23)OCO5)c1OC 14592517 FYDZPRHXTQYOIW-UHFFFAOYSA-N 347.370 4.596 5 1 EJBF endogenous,in-man CC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265576 QAVIAYCJIGEDPJ-UHFFFAOYSA-N 347.330 4.601 5 1 EJBF O=C(c1ccc(-c2ccccc2)o1)c1coc2cc([N+](=O)[O-])ccc12 587280292 RJNGQTQVBMPOMC-UHFFFAOYSA-N 333.299 4.832 5 1 EJBF Cc1ccc([C@H](C)Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82162245 FCBYCILQEIARFZ-AWEZNQCLSA-N 334.379 4.533 5 1 EJBF O=[N+]([O-])c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073840 MDJHADNGYRWIIX-UHFFFAOYSA-N 327.771 4.595 5 1 EJBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCCC1)O3 6494601 FEICAOQEAFNNPO-UHFFFAOYSA-N 347.414 4.506 5 1 EJBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cc1 587645010 HJMHVZUIGSWKHV-UHFFFAOYSA-N 348.280 4.797 5 1 EJBF O=[N+]([O-])c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950215 QLUYOUQUTMKICZ-UHFFFAOYSA-N 345.358 4.854 5 1 EJBF O=C(Cc1cccc2ccccc12)c1coc2cc([N+](=O)[O-])ccc12 587279744 QHTVXWABDLVNAN-UHFFFAOYSA-N 331.327 4.920 5 1 EJBF O=[N+]([O-])CCCCCCN1c2ccc(F)cc2Sc2cccnc21 653717116 PCSDEWNPQINATA-UHFFFAOYSA-N 347.415 4.661 5 1 EJBF Cn1cc2c3cc(Br)ccc3nc-2c2ccc(F)c(F)c21 299854725 ALKBHCINPFRFOE-UHFFFAOYSA-N 347.162 4.872 5 1 EJBF Cc1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1[N+](=O)[O-] 587074118 QIPMKRQSWBSZRF-UHFFFAOYSA-N 341.798 4.903 5 1 EJBF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccncc12 1857594377 JMOKLFOWMHQPGJ-GOSISDBHSA-N 343.386 4.639 5 1 EJBF O=[N+]([O-])c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Cl 587964770 HNQPJCGUJIFOJA-UHFFFAOYSA-N 343.814 4.964 5 1 EJBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1Cl 587149043 LOXTYEYSYXCSHT-RQOWECAXSA-N 335.697 4.573 5 1 EJBF O=[N+]([O-])c1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 13560440 VRLHOPLBQZRORF-UHFFFAOYSA-N 345.358 4.854 5 1 EJBF in-vivo O=[N+]([O-])c1cccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586897753 IUDWDWFNLYRYME-UHFFFAOYSA-N 331.331 4.511 5 1 EJBF O=C(c1ccc(C(F)(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280222 OPVXUNSLWVFMBH-UHFFFAOYSA-N 335.237 4.591 5 1 EJBF COc1c2c(cc3c(=O)c4cc(Cl)ccc4oc13)OC(C)(C)C=C2 96922291 LOAQVOFKRGICOM-UHFFFAOYSA-N 342.778 4.792 5 1 EJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(O)cc4[nH]3)c2)cc1 587271487 CTEHVIMKSDGYGW-UHFFFAOYSA-N 347.330 4.636 5 1 EJBF C=Cc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 586881478 MMGIZSMEDJQUFF-UHFFFAOYSA-N 344.168 4.544 5 1 EJBF Cc1c(F)ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587048887 ZYVYRRZKIBPZFK-CLTKARDFSA-N 331.734 4.742 5 1 EJBF CNc1cccc(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 587232974 GXZRTWWKDRJCAJ-UHFFFAOYSA-N 344.374 4.847 5 1 EJBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cnccc12 66104622 NTYUIJAFCGHSCF-UHFFFAOYSA-N 349.777 4.878 5 1 EJBF Cc1cc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1[N+](=O)[O-] 587097690 MXIPKSOWSGXWHI-UHFFFAOYSA-N 339.248 4.604 5 1 EJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1F 587139313 HEFJTAXRKNFWBX-UHFFFAOYSA-N 344.104 4.723 5 1 EJBF Cc1c(Cl)cc(-c2cc3c4c(cccc4n2)CC3)c(O)c1[N+](=O)[O-] 587209798 XUXNRJIUCCIJNZ-UHFFFAOYSA-N 340.766 4.576 5 1 EJBF Cc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1C 587047768 MPLGEKIRIKYQNK-GQCTYLIASA-N 327.771 4.912 5 1 EJBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2cccnc2)cc1 587649059 OUMAZTZWMCXGGF-UHFFFAOYSA-N 345.358 4.814 5 1 EJBF Fc1ccccc1CCc1nc2c3cccnc3c3ncccc3c2[nH]1 587151377 XPXZOUMWEHQONX-UHFFFAOYSA-N 342.377 4.584 5 1 EJBF Cc1oc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268495 AKWDLUJEFZEEDA-UHFFFAOYSA-N 345.664 4.712 5 1 EJBF CC[C@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587063004 ZCJOHACGZWLJGY-AWEZNQCLSA-N 349.749 4.794 5 1 EJBF Cc1c(F)ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587269844 HODUXVCJPYVULM-UHFFFAOYSA-N 348.337 4.648 5 1 EJBF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2cccnc2)[nH]c2ccccc12 1857584034 DHKGECVFJNULQT-GOSISDBHSA-N 343.386 4.639 5 1 EJBF Nc1nc(=S)n(-c2ccc(Cl)cc2)c2nc3ccccc3cc12 6584027 XCOXFKCLKLOBSD-UHFFFAOYSA-N 338.823 4.539 5 1 EJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21 13554108 JJQPROAZGIYDBL-UHFFFAOYSA-N 342.379 4.573 5 1 EJBF CC(C)=CCn1cc(C[N+](C)(C)C)c2ccc(Br)cc21 84670085 XJPUQIPOBHWRQV-UHFFFAOYSA-N 336.297 4.576 5 1 EJBF O=C1N=Nc2c3ccccc3c(O)c3c(N4CCCCC4)ccc1c23 101690479 KCMDZSIUPJHYKH-UHFFFAOYSA-N 331.375 4.926 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1Cl 587161637 PCBNFPJRMDAFBC-WDEREUQCSA-N 331.734 4.535 5 1 EJBF O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1coc2ccccc12 587280663 QFCSWMPPFKBJEE-UHFFFAOYSA-N 333.299 4.832 5 1 EJBF COc1c2ccoc2c(CC=C(C)C)c2[nH]c3c(O)cccc3c(=O)c12 238742406 PGZKGILXENJAPS-UHFFFAOYSA-N 349.386 4.650 5 1 EJBF O=[N+]([O-])c1cc2oc(COc3ccc(Cl)cc3)nc2cc1Cl 28815063 CCONYDGVYKEIKS-UHFFFAOYSA-N 339.134 4.622 5 1 EJBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 103171952 UPLODOBPEDEZQC-VXKXYOPPSA-N 331.412 4.612 5 1 EJBF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587951144 JNPGMAADDUJVSV-LBPRGKRZSA-N 333.347 4.764 5 1 EJBF CCCCCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 95574220 FYBASORFGYWOOR-UHFFFAOYSA-N 339.395 4.562 5 1 EJBF COc1cccc(C)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587786070 GZKQCTLMLSWGKX-UHFFFAOYSA-N 340.386 4.643 5 1 EJBF COc1cc2c(=O)cc(-c3ccc(F)cc3)[nH]c2c2c(OC)cccc12 1857592126 MHJTWQKANDHIIB-UHFFFAOYSA-N 349.361 4.505 5 1 EJBF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645107 VQLGHUAUWMYGCC-UHFFFAOYSA-N 344.754 4.573 5 1 EJBF O=c1oc2ccc(F)cc2c2nc3cccnc3c(-c3ccccc3)c12 1857591014 VZHVUZZNMYBTJK-UHFFFAOYSA-N 342.329 4.696 5 1 EJBF O=[N+]([O-])c1cc(Cl)ccc1Nc1nc(-c2ccccn2)cs1 299831516 DWIPAVWLRDGPNJ-UHFFFAOYSA-N 332.772 4.510 5 1 EJBF O=[N+]([O-])c1ccc2c(-c3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c2c1 587645434 UWRSBPNPJVWUKR-UHFFFAOYSA-N 346.268 4.638 5 1 EJBF CC(C)(C)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2n1 587139611 LYCCDQTZZGXBMW-UHFFFAOYSA-N 348.765 4.623 5 1 EJBF O=[N+]([O-])c1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Cl 586902979 DQYLBGCAOBORPI-UHFFFAOYSA-N 341.754 4.656 5 1 EJBF CNC(=O)Nc1ccc(Cc2c3ccccc3nc3ccccc23)cc1 169347090 LEJQVSXVXBDTPL-UHFFFAOYSA-N 341.414 4.730 5 1 EJBF CN(C)CCC[N@+]1([O-])c2ccccc2Sc2ccc(Cl)cc21 888075725 SUQUPCVMBMERJG-FQEVSTJZSA-N 334.872 4.893 5 1 EJBF Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644322 URCYLUVXCPZQNQ-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646622 YFEVELUDNGVXOD-UHFFFAOYSA-N 348.280 4.965 5 1 EJBF C[C@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586963604 PHFOPZJWPZHVMO-JTQLQIEISA-N 331.372 4.605 5 1 EJBF Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1 587146411 KXEQGSJFURKPOL-UHFFFAOYSA-N 328.350 4.774 5 1 EJBF O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2cnccc12 1857563958 LSZZLIQJUDCSLL-SFHVURJKSA-N 343.386 4.639 5 1 EJBF O=c1c2nc3ccccc3nc2cc(-c2ccccc2)n1-c1ccccc1 1772586869 AKDIWALMSBBMRJ-UHFFFAOYSA-N 349.393 4.601 5 1 EJBF Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1 587053609 GKYRDVMWUDGARR-UHFFFAOYSA-N 346.777 4.685 5 1 EJBF CC(C)=CCCC(C)=CCC=C(C)[C@@H](O)Cc1c[nH]c([N+](=O)[O-])c1 2356820262 COVDAEBDAVGGFK-SFHVURJKSA-N 332.444 4.855 5 1 EJBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2sccc2c1Cl 78395749 QMEVKVIBRMZAEO-UHFFFAOYSA-N 338.797 4.777 5 1 EJBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccc(Cl)cc4)o3)oc2c1 1857582432 JCWIRHYGZVIIMJ-UHFFFAOYSA-N 341.710 4.711 5 1 EJBF O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3CCCC(O)=C32)c1 103940150 CNYVZLNLCUKKAK-LJQANCHMSA-N 335.363 4.830 5 1 EJBF Fc1nc(Cl)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587178282 YYLTTWPHEPDKMX-UHFFFAOYSA-N 349.756 4.514 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(C(F)(F)F)cc1 587645688 AXEOFNQZZBEUJJ-UHFFFAOYSA-N 348.280 4.634 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(C(F)(F)F)cc1 587646398 RIBVXRURYBTOEZ-UHFFFAOYSA-N 334.297 4.994 5 1 EJBF CCC[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C 587956178 YTJYRPIHUIEZKQ-VIFPVBQESA-N 340.221 4.773 5 1 EJBF CCN(CC)CCCn1c2ccccc2c(=O)c2cc(C)cc(C)c21 1772588564 DJTKQWPRLIGMKH-UHFFFAOYSA-N 336.479 4.503 5 1 EJBF c1ccc2nc3c(nc2c1)c1ccccc1n3CCN1CCCCCC1 31847915 ZNGGTMVCGMXBBV-UHFFFAOYSA-N 344.462 4.614 5 1 EJBF CC[C@H](C)c1ccc2[nH]c(C)c(-n3nc(C)c([N+](=O)[O-])c3C)c2c1 587641984 IQWSUROLUQLZJP-JTQLQIEISA-N 326.400 4.701 5 1 EJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 100202037 BADPXOSJBUEVTR-PMACEKPBSA-N 348.510 4.661 5 1 EJBF CC[N+](C)(CC)CCO[C@@](C)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@@H]1C2 169292597 UTVSLCROIUPVOX-WKDRNLAYSA-N 328.520 4.617 5 1 EJBF in-man N[C@@H](c1ccsc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587027172 PZPWDNMAXFLCIR-KRWDZBQOSA-N 329.428 4.979 5 1 EJBF Cc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1Cl 587645128 WVPFCUCOSNVPMS-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF CC(C)=CCC/C(C)=C/C/C=C(\C)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1 66104211 COVDAEBDAVGGFK-CIBVNXTLSA-N 332.444 4.855 5 1 EJBF Cc1c(F)c(C)c(F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F 587279830 CLNRDPVUEOXEQE-UHFFFAOYSA-N 349.264 4.606 5 1 EJBF COc1ccc(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c([N+](=O)[O-])c1 587631449 MPTVCFFLORNATF-UHFFFAOYSA-N 334.734 4.853 5 1 EJBF CCC[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C 587956177 YTJYRPIHUIEZKQ-SECBINFHSA-N 340.221 4.773 5 1 EJBF Cc1cccc(-n2ncc3c2-c2cc([N+](=O)[O-])ccc2C(C)(C)C3)c1C 84617307 VRPDIEAANGTUPJ-UHFFFAOYSA-N 347.418 4.898 5 1 EJBF O=[N+]([O-])C[C@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857592261 HLQCOCSLELEEPZ-GOSISDBHSA-N 343.386 4.639 5 1 EJBF O=C(O)c1nc2ccccc2c2[nH]c3ccc(C(F)(F)F)cc3c12 473108552 NGNLQRJYJYGKEG-UHFFFAOYSA-N 330.265 4.586 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Cl 587043552 RNWNZFUZUOJSDQ-AWEZNQCLSA-N 331.784 4.514 5 1 EJBF CCc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cc1 587646279 MVQPXALLUXUTSK-UHFFFAOYSA-N 344.317 4.753 5 1 EJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(O)cc2[nH]1 586974000 SSKYORWUVUMZFE-UHFFFAOYSA-N 343.408 4.592 5 1 EJBF O=[N+]([O-])c1ccc2[nH]c3c[nH]c4c5cc(Cl)ccc5nc-4c3c2c1 100660634 WNNZSBUOBUWRMV-UHFFFAOYSA-N 336.738 4.864 5 1 EJBF COc1ccc(COc2cc(O)nc3c2ccc2ccccc23)cc1 1772606121 RJIMCAMDVIJSJB-UHFFFAOYSA-N 331.371 4.681 5 1 EJBF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ncccc12 1857609120 LUCSGVYAUHAHIP-GOSISDBHSA-N 343.386 4.639 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Cl 587152358 MELHTPAUXSIQGO-RKDXNWHRSA-N 349.724 4.674 5 1 EJBF Cc1c(-c2ccc(Br)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587645974 PELRCJOECKVLMN-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646562 VACSRZUKUPQNSI-UHFFFAOYSA-N 348.280 4.965 5 1 EJBF CC(=O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 95572598 JZFGTMFJLSUORF-UHFFFAOYSA-N 349.220 4.712 5 1 EJBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 963235048 FLWSENHKXWIUCP-ORAYPTAESA-N 344.842 4.994 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(F)ccc1Br 587645731 JATGCXFCVBWFKV-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF O=[N+]([O-])c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587152624 BGCQRMILBKLCEH-UHFFFAOYSA-N 333.322 4.944 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(Br)cc1 587643286 CRHMEFJJJAZPBY-UHFFFAOYSA-N 345.196 4.738 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 98082256 WDUOGYRHQBFPGK-OAHLLOKOSA-N 337.162 4.767 5 1 EJBF Cc1c(F)ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587264498 GYNOIJCVJNOLGZ-UHFFFAOYSA-N 337.310 4.846 5 1 EJBF Nc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1[N+](=O)[O-] 587921485 YQQFQGSLAUJTHZ-UHFFFAOYSA-N 331.784 4.621 5 1 EJBF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1ccc([N+](=O)[O-])cc1 2356833892 IEXTUSSGSDFGOO-UHFFFAOYSA-N 343.362 4.626 5 1 EJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Cl)cc3[nH]2)c1F 587139844 PTIDSTXKBULMDT-UHFFFAOYSA-N 326.114 4.584 5 1 EJBF C(=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1)\c1ccsc1 587026338 UAVNZULFKGWNTN-WAYWQWQTSA-N 328.400 4.891 5 1 EJBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587112990 IUKNPLDKCFTGKU-JTQLQIEISA-N 349.312 4.836 5 1 EJBF CC[N+](C)(CC)CCO[C@@](C)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 100371822 UTVSLCROIUPVOX-MPJJRAAHSA-N 328.520 4.617 5 1 EJBF in-man O=[N+]([O-])c1ccc(C2=Nc3cc(C(F)(F)F)ccc3SC2)cc1 40829168 OUKULVHRQDUFNL-UHFFFAOYSA-N 338.310 4.840 5 1 EJBF O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1 40877818 DBWPZPDNRGTIBL-UHFFFAOYSA-N 333.269 4.671 5 1 EJBF Cc1[nH]c2ccc(Oc3ccccc3[N+](=O)[O-])cc2c1C1=CCNCC1 96910229 ZAXKYKVRNBLJCX-UHFFFAOYSA-N 349.390 4.554 5 1 EJBF C[C@@H](CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 169309465 BCOYXYPVMBTPPI-NSHDSACASA-N 338.842 4.529 5 1 EJBF Cc1oc(C(C)(C)C)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279336 GJFIUSYEAPOVCS-UHFFFAOYSA-N 327.336 4.771 5 1 EJBF O=C(c1cc2c(ccc3ccccc32)oc1=O)c1coc2ccccc12 587281029 QCUSEQASVMMGAV-UHFFFAOYSA-N 340.334 4.923 5 1 EJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Br)cc1F 587645764 JODKDZCUCBKICU-UHFFFAOYSA-N 349.159 4.953 5 1 EJBF CCC(CC)Nc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 103192480 VRBHIILAAAKKQA-UHFFFAOYSA-N 335.404 4.717 5 1 EJBF Cc1cc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc2cc1[N+](=O)[O-] 586898717 LYHFRJHXBSKTLB-UHFFFAOYSA-N 345.358 4.819 5 1 EJBF COc1nc2ccccc2c2c(=O)c3ccc(Cl)cc3sc12 473165425 BZRQXXPTMCMVCM-UHFFFAOYSA-N 327.792 4.625 5 1 EJBF CCCCC1CCC(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 586883415 CDKYIUKSLHZOQW-UHFFFAOYSA-N 346.387 4.843 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(OC(F)(F)F)cc1 587645969 HHUWYIHQQKVYLD-UHFFFAOYSA-N 336.269 4.950 5 1 EJBF CNc1ccccc1C(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)no1 3196770 NMFPPHUCMSUCJL-UHFFFAOYSA-N 337.379 4.617 5 3 EJBF O=[N+]([O-])c1ccc(-c2ccncc2)c(OCCCc2ccccc2)c1 299859575 IGXKTKWIRHTBJG-UHFFFAOYSA-N 334.375 4.668 5 1 EJBF Cc1c(Cl)ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587140246 VPEPYLOGIUPIFV-UHFFFAOYSA-N 340.141 4.892 5 1 EJBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F 586896855 RNLCGSGABNJADW-UHFFFAOYSA-N 349.321 4.650 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Br)cc1 587643734 IYTQJCCNWIRHQX-UHFFFAOYSA-N 331.169 4.814 5 1 EJBF CCCCCc1cc2nc3ccc(N(C)C)cc3sc-2cc1=O 1857766136 XJOAZRZGJUXDQQ-UHFFFAOYSA-N 326.465 4.560 5 1 EJBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cc1C 587646587 WGXHTEJJNCTNGE-UHFFFAOYSA-N 344.317 4.808 5 1 EJBF COc1cncc(N)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587254608 RMVALUCPUYUOQA-UHFFFAOYSA-N 340.386 4.522 5 1 EJBF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587646936 NIUXZWFALHFOSJ-NSHDSACASA-N 347.415 4.785 5 1 EJBF Cc1c(F)ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587048888 ZYVYRRZKIBPZFK-XVNBXDOJSA-N 331.734 4.742 5 1 EJBF CCc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587264274 FEALKHBCTBMQLF-UHFFFAOYSA-N 333.347 4.961 5 1 EJBF Cc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1C 587048029 PFVNIHZGCGTZLI-YVMONPNESA-N 327.771 4.912 5 1 EJBF O=C(O)c1cc2ccc3c4ccc(C(F)(F)F)cc4[nH]c3c2cc1O 40949392 RYNOZWOYJNQMAT-UHFFFAOYSA-N 345.276 4.897 5 1 EJBF Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cl)c2)cs1 587921440 XKDVSMBXZGRKJQ-UHFFFAOYSA-N 331.784 4.621 5 1 EJBF COc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)c(OC)c1 1772575160 OUZLYKMURRNCDN-UHFFFAOYSA-N 332.355 4.630 5 1 EJBF O=[N+]([O-])c1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1F 587970164 ZCSUJIDUDSMDGH-CMDGGOBGSA-N 333.322 4.934 5 1 EJBF C[C@H](CSc1ccc(F)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587171332 MNYFQXPTKSBBPZ-SNVBAGLBSA-N 331.372 4.506 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCCC[C@@H]23)cc1C(F)(F)F 95577328 MYRFEWWWKLHDFO-BXUZGUMPSA-N 342.317 4.687 5 1 EJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)ccc3[nH]2)ccc1Cl 44881958 GCVYMAIXHUBIHI-QHHAFSJGSA-N 334.162 4.948 5 1 EJBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc([N+](=O)[O-])c(F)c1F 963241657 NDELRLMKTGTPTF-HXPMCKFVSA-N 346.377 4.619 5 1 EJBF O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 84732575 WGHMVXHHWOUWMB-GHXNOFRVSA-N 338.146 4.527 5 1 EJBF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644430 CJSBVQQSBQBVAA-SECBINFHSA-N 344.754 4.585 5 1 EJBF CC(C)=Cc1nc(Nc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1 45320442 DVNNRGZDBFVHHT-UHFFFAOYSA-N 338.342 4.844 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccc(Cl)c1C 587644596 GXJGJQWVMHXFLV-UHFFFAOYSA-N 343.770 4.599 5 1 EJBF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1c([N+](=O)[O-])ccc(O)c1F 587629438 QGYGTDSBAHCFHR-UHFFFAOYSA-N 338.697 4.689 5 1 EJBF CCCCc1cc(Br)c(O)c2nc3ccccc3nc12 653862699 DAYATPWCRGALED-UHFFFAOYSA-N 331.213 4.594 5 1 EJBF O=C(O)c1cc2c(ccc3cc4c(ccc5oc(C(=O)O)cc54)cc32)o1 95574605 MBDNHHKZEBJSRM-UHFFFAOYSA-N 346.294 4.882 5 1 EJBF CCc1cccc(C(C)C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45358074 BTSCDDQPKOZPMO-UHFFFAOYSA-N 343.383 4.630 5 1 EJBF O=C(O)c1ccc2c(c1)nc(Cc1cccc(Cl)c1)c1ccncc12 73240667 RTRRWIJIXBUDIU-UHFFFAOYSA-N 348.789 4.725 5 1 EJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(F)c(F)cc3[nH]2)ccc1Cl 587048272 RSMSFQFAIFZCBO-RQOWECAXSA-N 335.697 4.573 5 1 EJBF CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 1772638762 BMJFJWVJKBLJQN-UHFFFAOYSA-N 347.370 4.985 5 1 EJBF COc1ccc2cc([C@@H](C)c3nc4cccc([N+](=O)[O-])c4[nH]3)ccc2c1 587934809 OMOMKQPZIZSGEN-GFCCVEGCSA-N 347.374 4.785 5 1 EJBF O=[N+]([O-])c1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955785 OTHGIXWTCITDJZ-KRWDZBQOSA-N 343.386 4.846 5 1 EJBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cc1C 587645749 CLARJWNMJKVNAJ-UHFFFAOYSA-N 344.317 4.808 5 1 EJBF O=[N+]([O-])c1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961473 KWWHYOWLTGNSEX-UHFFFAOYSA-N 329.359 4.729 5 1 EJBF O=c1oc2ccc(O)cc2c2c1[nH]c1cccc(-c3ccc(O)cc3)c12 82152929 JRCLXUSRVOEJOB-UHFFFAOYSA-N 343.338 4.506 5 1 EJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c12 587646250 YIXRNFMKTPRTEU-UHFFFAOYSA-N 333.322 4.944 5 1 EJBF N=C(Nc1ccc2ccc3cccnc3c2n1)c1cccc(Cl)c1 28222145 VHGILFXNPZUMMG-UHFFFAOYSA-N 332.794 4.874 5 1 EJBF Cc1cc2[nH]c([C@H](C)c3ccccc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587096403 AJXAFLKCERKMNX-SNVBAGLBSA-N 349.312 4.950 5 1 EJBF O=c1c2c(-c3ccccc3)c3ccccc3nc2cnn1-c1ccccc1 1630690 MUYAPUOWJXVSQP-UHFFFAOYSA-N 349.393 4.601 5 1 EJBF O=[N+]([O-])c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1F 587073320 BNCNUGQULSOBEU-UHFFFAOYSA-N 345.761 4.734 5 1 EJBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(Cl)c(F)cc12 587631640 RPJUILFSGQBFHO-UHFFFAOYSA-N 332.718 4.738 5 1 EJBF CC(C)(C)OC(=O)Nc1c(C2CCC2)[nH]c2cccc([N+](=O)[O-])c12 587647374 XMDWRPOOVQHRNY-UHFFFAOYSA-N 331.372 4.691 5 1 EJBF O=[N+]([O-])c1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955786 OTHGIXWTCITDJZ-QGZVFWFLSA-N 343.386 4.846 5 1 EJBF CC/C(=C/c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(C)cc1 587968418 SOZIHMPTUQZDRH-WQLSENKSSA-N 325.343 4.869 5 1 EJBF CN(C)C(=O)c1cc(-c2ccc3ccc4cccc5ccc2c3c45)no1 84616118 FXOJTLQWLLFGHJ-UHFFFAOYSA-N 340.382 4.941 5 1 EJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Cl 587152356 MELHTPAUXSIQGO-DTWKUNHWSA-N 349.724 4.674 5 1 EJBF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587952423 QOUWGNDLMMPVPX-BNLOLNQZSA-N 331.416 4.826 5 1 EJBF Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 73220923 AJEOGSBQKWOWOV-UHFFFAOYSA-N 342.178 4.668 5 1 EJBF O=c1oc2ccccc2c2c1[nH]c1cccc(-c3ccc(O)cc3)c12 73199120 FODJLTYSBLBSAN-UHFFFAOYSA-N 327.339 4.800 5 1 EJBF O=[N+]([O-])c1ccc2c(c1NC1CCCCC1)NC1(CCCCC1)[N+]2=O 138623274 HKGYXHAYQPFFHJ-UHFFFAOYSA-N 345.423 4.836 5 1 EJBF CSc1ccc(-c2csc(-c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 587924673 IGOKEWMRDPRRJK-UHFFFAOYSA-N 343.433 4.689 5 1 EJBF CCOC(=O)c1ccc(C(Cl)=Cc2ccccc2)c([N+](=O)[O-])c1 2356862681 FMZUSKHWOVGXGM-UHFFFAOYSA-N 331.755 4.508 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCCC[C@@H]23)c(C(F)(F)F)c1 95578406 SYDHGHCOJOZBRZ-OCCSQVGLSA-N 342.317 4.687 5 1 EJBF O=C(c1ccc(Cl)cc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280357 UOZVKNVFISMROX-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF O=C(c1c(-c2cccs2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645230 LKNSPDUCFOGGRJ-UHFFFAOYSA-N 340.282 4.550 5 1 EJBF Cc1ccnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12 587271492 DCPBCYYRWZCGTP-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF O=C(CCCCCc1ccccc1)c1nc2cc([N+](=O)[O-])ccc2o1 653687987 HEEWOWGTMMNKCU-UHFFFAOYSA-N 338.363 4.722 5 1 EJBF Cc1cc(F)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587270977 YZWDNGAXKLGRKP-UHFFFAOYSA-N 348.337 4.648 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1C(C)C 587646496 CMGXFZWZBMKFLL-UHFFFAOYSA-N 337.379 4.760 5 1 EJBF O=[N+]([O-])c1ccccc1C[C@H]1CCc2c1nc1cccc3c1c2CC3 587211025 JXKJBVKGXBAGRD-OAHLLOKOSA-N 330.387 4.514 5 1 EJBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)s1 587646222 LRIQMBZWBCFXPP-UHFFFAOYSA-N 336.319 4.561 5 1 EJBF O=C(Cc1cccc(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280011 GHQOXSJGBWOJDS-UHFFFAOYSA-N 349.264 4.785 5 1 EJBF O=C(c1c(-c2cccs2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645243 MEHZKMGGSYTBMA-UHFFFAOYSA-N 340.282 4.550 5 1 EJBF O=C(c1cccc(Cl)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279776 AHXKOGNESLXTKU-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF Cc1cnc(NCCCN(C)C)c2c3c4ccccc4ccc3n(C)c12 29321463 SOKPEOGFYIVXNB-UHFFFAOYSA-N 346.478 4.552 5 1 EJBF Fc1nc(Cl)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587177873 DHMIHERUQZAVOV-UHFFFAOYSA-N 349.756 4.514 5 1 EJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(C(F)(F)F)cc1 587646072 ITBFRBJXEXTNRD-UHFFFAOYSA-N 334.297 4.994 5 1 EJBF CC[N+](CC)(CC)COC(=O)[C@H](c1ccccc1)C1CCCCC1 27527270 SHAOYGKHRNLJLT-HXUWFJFHSA-N 332.508 4.728 5 1 EJBF O=NCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587189994 IGLSEUVQIIAZAS-UHFFFAOYSA-N 339.358 4.593 5 1 EJBF Cc1cc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2cc1[N+](=O)[O-] 587034280 RMBIMNARORXWEN-SECBINFHSA-N 327.409 4.633 5 1 EJBF Cc1ccccc1C(C)(C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587956159 YJPOMROOMCPAIH-UHFFFAOYSA-N 329.787 4.759 5 1 EJBF O=C(c1cc(Cl)cc(Cl)c1)n1ccc2cc([N+](=O)[O-])ccc21 40566194 LAVJMZQVTZBCKW-UHFFFAOYSA-N 335.146 4.545 5 1 EJBF COc1cc(C)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587925859 RCPOKAGMLAEAAN-UHFFFAOYSA-N 340.386 4.643 5 1 EJBF O=C(Nc1ccc2ccc3cccnc3c2n1)c1ccc(Cl)cc1 28224451 ZMNPBIYOWLZXCG-UHFFFAOYSA-N 333.778 4.689 5 1 EJBF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645116 WGTSISDDUOHWSN-VIFPVBQESA-N 344.754 4.585 5 1 EJBF CCN(CC)CCCCCn1c2ccccc2c(=O)c2ccccc21 34206161 YCWGZWYJTIJTHX-UHFFFAOYSA-N 336.479 4.667 5 1 EJBF in-vivo CCC[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C 587956185 ZCZMVYQEAOXYJT-JTQLQIEISA-N 340.221 4.773 5 1 EJBF Cc1cc(OCCc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)ccc1Cl 587644605 HICJLWBOOLEQSC-UHFFFAOYSA-N 344.798 4.968 5 1 EJBF Cc1ccc(OCCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 82157944 VCVIFVBGBHTVOV-UHFFFAOYSA-N 341.194 4.617 5 1 EJBF C[C@@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586963605 PHFOPZJWPZHVMO-SNVBAGLBSA-N 331.372 4.605 5 1 EJBF Cc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2n1 587271400 BNLSKENPJAZTPS-UHFFFAOYSA-N 346.346 4.634 5 1 EJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC)(c2cccc([N+](=O)[O-])c2)N1 962955551 MRUCTNHLNHXFNV-BTYIYWSLSA-N 349.434 4.654 5 1 EJBF Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3ccccc3c12 1639362 CBFWCEQXBUPVOK-UHFFFAOYSA-N 332.451 4.541 5 1 EJBF Cc1ccc(-n2ncc3c2-c2cc([N+](=O)[O-])ccc2C(C)(C)C3)cc1 84587327 HKDGUGXEXCUUOT-UHFFFAOYSA-N 333.391 4.590 5 1 EJBF O=C(Cc1ccc2ccccc2c1)c1coc2cc([N+](=O)[O-])ccc12 587279318 GBRLUKDENHEKAE-UHFFFAOYSA-N 331.327 4.920 5 1 EJBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3ccccc3F)nc12 1857752568 JXCVSVNRDZTSCG-UHFFFAOYSA-N 347.301 4.599 5 1 EJBF Cc1cnc(Cl)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc12 587047529 KACKLYZRBAUCIT-HYXAFXHYSA-N 349.177 4.652 5 1 EJBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCCC[C@@H]23)cc1C(F)(F)F 95577327 MYRFEWWWKLHDFO-RISCZKNCSA-N 342.317 4.687 5 1 EJBF N[C@H](Cc1cscn1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587029592 QVQBKVXXNQZVHZ-QGZVFWFLSA-N 344.443 4.568 5 1 EJBF C[n+]1c2ccc(Br)cc2c(Cl)c2[nH]c3ccccc3c21 26940215 SBEDVXPXNURSAF-UHFFFAOYSA-O 346.635 4.715 5 1 EJBF Cc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1F 587264475 GAAZCCXWPYJLOY-UHFFFAOYSA-N 337.310 4.846 5 1 EJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(c2cccc([N+](=O)[O-])c2)N1 962955557 MRUCTNHLNHXFNV-QVKFZJNVSA-N 349.434 4.654 5 1 EJBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(F)c(F)c3[nH]2)ccc1Cl 587047491 IVFUNLXQAQUTAM-KXFIGUGUSA-N 335.697 4.573 5 1 EJBF CCOc1nc2cc3cccnc3c(Cl)c2nc1-c1ccccc1 653754320 NYTUVDVRCVHKOK-UHFFFAOYSA-N 335.794 4.897 5 1 EJBF CSC1=Nc2ccccc2-c2c(c3cc([N+](=O)[O-])ccc3n2C)C1 13532136 QYZSWYXCDBQHQO-UHFFFAOYSA-N 337.404 4.703 5 1 EJBF CN[C@H](c1cccnc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587227294 XZTCGMXICQAHCB-LJQANCHMSA-N 338.414 4.573 5 1 EJBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2cccc([N+](=O)[O-])c12 587645091 VCKHWLNBZOYBAO-UHFFFAOYSA-N 331.715 4.613 5 1 EJBF O=C(c1cc(Cl)ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280228 OVCDSLSESGNCGQ-UHFFFAOYSA-N 336.130 4.879 5 1 EJBF