smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(OCc2nc3cc(F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587262880 GMPWEYTXYAEUDC-UHFFFAOYSA-N 396.172 3.960 5 1 GHBF CC(C)(Nc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1)c1ccccc1 28898623 KSDROGZDDBNPPC-UHFFFAOYSA-N 398.511 3.909 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1cccc([N+](=O)[O-])c1C2 587574945 HEOOVHQZLCLJLI-DENIHFKCSA-N 389.363 3.800 5 1 GHBF Cc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br 587270442 XZXOKUGFOAYEHK-UHFFFAOYSA-N 390.193 3.934 5 1 GHBF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147641 YRRUBVODTQRYKY-UHFFFAOYSA-N 385.468 3.992 5 1 GHBF O=[N+]([O-])c1ccccc1OCc1nc(=S)nc2oc(-c3ccccc3)nn12 103176879 JEVBKYIXNIYECY-UHFFFAOYSA-N 381.373 3.601 5 1 GHBF CCOc1ccccc1[C@@](N)(c1nc2cccc([N+](=O)[O-])c2[nH]1)C(F)(F)F 587093598 VNWWMWNNTAXFIP-MRXNPFEDSA-N 380.326 3.634 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)c(C)nc3[nH]2)c1 587261404 ARQSLRLATCUJSN-UHFFFAOYSA-N 391.225 3.867 5 1 GHBF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2-c2ccc([N+](=O)[O-])cc21 962930841 ZHECUEUVSWYCBI-DEOSSOPVSA-N 399.450 3.715 5 1 GHBF CN(C)CCCNc1c2c3cc(C(=O)O)ccc3nc-2n(C)c2ccccc12 103146990 KTPLCTHILWKYBC-UHFFFAOYSA-N 376.460 3.893 5 1 GHBF Cc1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1[N+](=O)[O-] 587125761 UDEWARGMROMOBY-AMIZOPFISA-N 380.330 3.951 5 1 GHBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)NCCc2cc(C)c(F)cc21 962296150 FAKOQGFGWDUHID-DGJFXRHUSA-N 384.407 3.660 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3)(c3ccccc3[N+](=O)[O-])c3cccc1c32 963018866 FAMHEJFOXQLMQC-VOIUYBSRSA-N 399.450 3.940 5 1 GHBF CC(C)(O)CCc1ccc(O)c2c(=O)c3cc4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 2356685690 AQCBXNBFMWPAAG-QKVFXAPYSA-N 380.396 3.701 5 1 GHBF Cc1ccc(C2=NO[C@@H](COCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 45298926 PVOSVIXKGWGNPK-QGZVFWFLSA-N 394.387 3.663 5 1 GHBF Cc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1[N+](=O)[O-] 962669677 QBHWAZVYGZISOI-SIKLNZKXSA-N 391.427 3.639 5 1 GHBF COc1ccc2c(CN3CCC(CO)CC3)cc3cc4c(cc3c2c1)OCO4 28706195 GFBRRLPJNPKOEJ-UHFFFAOYSA-N 379.456 3.935 5 1 GHBF COc1cc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc(OC)c1OC 253677401 IIWNKXJTEFNJSN-XAEMIUIASA-N 392.516 3.668 5 1 GHBF O=C1C[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)Oc2c1ccc1c2CCCC1 587511359 GHQUWGRDGMUSHL-SFHVURJKSA-N 381.384 3.951 5 1 GHBF O=C(O)c1ccccc1C(=O)c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1 1911570687 KKMXZGYMZLQYAF-UHFFFAOYSA-N 392.367 3.760 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3cn[nH]c3cc2[nH]1 587262833 IFQUYABAGQIWAF-SNVBAGLBSA-N 395.375 3.699 5 1 GHBF O=c1cc(Cn2ccnc2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1 299819205 AWIYENNAQNLAIM-UHFFFAOYSA-N 377.356 3.525 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747360 NCYFXNKHMJBFLC-VPTHRUTESA-N 381.201 3.826 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 587115962 HERQXONDHKKYTG-UHFFFAOYSA-N 388.103 3.709 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)CC2=O 587470567 LIWMNGSFJZWUEI-KRWDZBQOSA-N 385.372 3.731 5 1 GHBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892729 DSJYNCUZSLZGFO-DOTOQJQBSA-N 376.409 3.534 5 1 GHBF CCN(C)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82135974 HYKKOWAEJNNHMM-UHFFFAOYSA-N 395.419 3.657 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc([N+](=O)[O-])c1O 587559398 WWJGPFFWWFAHFA-UZLBHIALSA-N 397.314 3.848 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc([N+](=O)[O-])c1 587577474 SIUKRCRILHGPKU-FXAWDEMLSA-N 379.324 3.709 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12 587039921 GWSJQMCYEKRWJJ-UHFFFAOYSA-N 378.211 3.534 5 1 GHBF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)CC(=O)c1cccc([N+](=O)[O-])c1 963632084 FJVQELMKYWRBLJ-YEJXKQKISA-N 384.432 3.634 5 1 GHBF O=[N+]([O-])c1ccc(CSc2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)cc1 6084771 IJDMDIWIGWYBHV-UHFFFAOYSA-N 397.391 3.861 5 1 GHBF CC(C)=CCc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C[C@@H](C(C)(C)O)O2 14610222 STZQZHINUHDXTE-INIZCTEOSA-N 396.439 3.941 5 1 GHBF biogenic,in-vitro COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163889 FMXMCNKAFPMWBO-UHFFFAOYSA-N 385.449 3.850 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587118403 PTDJSHAQXBJBDD-UHFFFAOYSA-N 395.128 3.745 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)nn1CC(F)(F)F 587093066 STSPHKUKBITCKU-UHFFFAOYSA-N 379.220 3.916 5 1 GHBF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1cccc([N+](=O)[O-])c1 73157610 YAIRLEHVQRAOLB-OAHLLOKOSA-N 379.397 3.881 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cnc2[nH]1 587266286 ZVRLDGJJXSVJAH-SECBINFHSA-N 390.783 3.871 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265338 WQJPLBHWIRBVCI-FHLIZLRMSA-N 393.443 3.802 5 1 GHBF Cc1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2cc1[N+](=O)[O-] 587125764 UDEWARGMROMOBY-SDBXPKJASA-N 380.330 3.951 5 1 GHBF Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2sc(CN3CCC(F)CC3)cc12 169321258 JGSSXUYKSAJDAS-UHFFFAOYSA-N 387.440 3.783 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586998805 OXCFDSWRIPXHLO-UPHRSURJSA-N 389.165 3.528 5 1 GHBF O=[N+]([O-])c1cc(N[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)ccc1CO 1857775158 BTJYWLUQUFSVIG-SFHVURJKSA-N 380.448 3.645 5 1 GHBF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 587014295 OQBGVQJQGOWRCQ-UHFFFAOYSA-N 375.410 3.619 5 1 GHBF Cc1cc(Br)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 587267650 OKSGZSBXYZAFNZ-UHFFFAOYSA-N 378.230 3.910 5 1 GHBF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174448 DZWUVQWRTNRUPF-MRXNPFEDSA-N 395.419 3.915 5 1 GHBF CCC(CC)Nc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 15937488 GTJCPILQGCYFQM-GOSISDBHSA-N 398.463 3.542 5 3 GHBF O=[N+]([O-])c1ccc(OC2[C@@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1 40899045 HWONKCCXDYBMEO-IAGOWNOFSA-N 381.436 3.552 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1[N+](=O)[O-])O2 587377994 REYRDRBKBMUVPV-CQSZACIVSA-N 377.194 3.954 5 1 GHBF CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccsc4)cc3c(=O)c2c1 34842270 SOMXERKTVVUGIZ-UHFFFAOYSA-N 382.466 3.848 5 1 GHBF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 58608649 LLYVWRMMXRUSEG-QGZVFWFLSA-N 383.404 3.900 5 1 GHBF COc1cc(NC(=O)/C=C/c2c(Cl)cccc2[N+](=O)[O-])cc(OC)c1OC 169312380 LSIXTFOHAVNAHI-BQYQJAHWSA-N 392.795 3.926 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1O 587579046 XXQVXZHWKGUCSW-OXJNMPFZSA-N 379.324 3.709 5 1 GHBF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1[N+](=O)[O-] 27878641 VPPPSJMVMTVSEQ-IBGZPJMESA-N 397.431 3.858 5 1 GHBF O=[N+]([O-])c1ncn(CCCCNc2ccnc3cc(C(F)(F)F)ccc23)n1 73166659 YSHGUYZQIDZXIA-UHFFFAOYSA-N 380.330 3.646 5 1 GHBF O=C(NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccccc1 28957238 BLWCNECTRBDTAC-UHFFFAOYSA-N 388.383 3.779 5 1 GHBF CN(c1ccc([N+](=O)[O-])cc1OCc1ccc2ccccc2c1)S(C)(=O)=O 35324464 BJRZSLQVXYWGEY-UHFFFAOYSA-N 386.429 3.723 5 1 GHBF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 586948624 PSRAKSRJKDTZCJ-UHFFFAOYSA-N 394.840 3.942 5 1 GHBF Cc1cc(C)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587265515 FWJAVZAUECGXSD-PIGZYNQJSA-N 385.380 3.530 5 1 GHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(Br)c2[nH]1 587275240 AJTKVDKBWFWTAJ-ZETCQYMHSA-N 384.621 3.887 5 1 GHBF CCc1nnc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])c1CC 1772646432 ORVJJVVWQZKXFQ-UHFFFAOYSA-N 393.513 3.510 5 1 GHBF COc1cc(CNCc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 237127855 MRPBPXPCBNOBOB-UHFFFAOYSA-N 379.416 3.867 5 1 GHBF O=C(Cc1ccccc1)NCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587228548 NWPLKHBMOMJRTJ-UHFFFAOYSA-N 381.439 3.561 5 1 GHBF CC1(C)C=Cc2c(ccc3oc4cc5c(c(O)c4c(=O)c23)C[C@@H](C(C)(C)O)O5)O1 13382574 XSIMSXOSXLZQRA-KRWDZBQOSA-N 394.423 3.910 5 1 GHBF biogenic,in-vitro COc1cc(/C=C/c2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc(OC)c1OC 29041833 MOWYNSJVNYPGKM-AATRIKPKSA-N 390.348 3.708 5 1 GHBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)c2c[nH]nc2N1 64436588 FBPRNPVGXPOLEZ-SFHVURJKSA-N 375.388 3.788 5 1 GHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1 587871844 NXJQSELDIZYHSJ-UHFFFAOYSA-N 385.351 3.585 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)ncc2[nH]1 587263123 KARPWQFPRCDGPR-VIFPVBQESA-N 390.783 3.871 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(NC(C)=O)c([N+](=O)[O-])c1)CC2=O 587473501 WEXBYDBHOXWKFX-LJQANCHMSA-N 384.388 3.918 5 1 GHBF COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1F 587143631 BWAKNBHDXOBHFQ-UHFFFAOYSA-N 392.346 3.912 5 1 GHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccccc1 299849681 QDQZWRSHLGBPSP-CUDBPUKSSA-N 385.423 3.608 5 1 GHBF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82222854 CRCBCKQHFWXLQW-KRWDZBQOSA-N 388.493 3.994 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587088528 OGWGWNFGXFOVCS-MRVPVSSYSA-N 387.184 3.983 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587117241 HWWXDDATFTWXCG-UHFFFAOYSA-N 395.128 3.745 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3cn[nH]c3cc2[nH]1 587262832 IFQUYABAGQIWAF-JTQLQIEISA-N 395.375 3.699 5 1 GHBF COCCOc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587265334 OWDYZARIFYVTQS-UHFFFAOYSA-N 385.273 3.720 5 1 GHBF COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646413 RZMNYRJHAHVGMW-UHFFFAOYSA-N 390.298 3.700 5 1 GHBF COc1cc(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC 299828293 MKRDRSARYAZCMB-UHFFFAOYSA-N 382.372 3.642 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586895789 ZCTWQWHUVMKLEO-UHFFFAOYSA-N 380.242 3.818 5 1 GHBF O=[N+]([O-])c1ccc(OCc2nc(=S)nc3oc(-c4ccccc4)nn23)cc1 103176877 NPEBXWTUPJVSLU-UHFFFAOYSA-N 381.373 3.601 5 1 GHBF COc1cc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)cc([N+](=O)[O-])c1OC 26667420 FJQKMGHUJOXHIL-KRWDZBQOSA-N 381.432 3.831 5 1 GHBF Cc1cc2c(cc1Cl)SC(C(=O)c1cccc([N+](=O)[O-])c1)=NS2(=O)=O 1663293 YETVXYOZDWZNPL-UHFFFAOYSA-N 396.833 3.632 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2[N+](=O)[O-])N1 587745711 IFINMGOBKGEQNP-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1 587872311 UDXXWJFGBQUVCR-UHFFFAOYSA-N 385.351 3.715 5 1 GHBF CCCCS(=O)(=O)N[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)C 586933683 WBXGJEIYTYWRDF-CQSZACIVSA-N 388.877 3.541 5 1 GHBF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccnc12 26842432 ZILUKNSSTNPQRU-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF O=C(O)c1ccc(-c2cc3cc(Br)cc([N+](=O)[O-])c3nc2O)cc1 1857603209 PMEMCEAEAHJWFS-UHFFFAOYSA-N 389.161 3.976 5 1 GHBF COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=S)n4CCN(C)C)c2c1 33917317 XTMYSBDMZXDMRE-UHFFFAOYSA-N 397.460 3.879 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747167 MTAAAAZVYMPIPB-VPTHRUTESA-N 381.201 3.826 5 1 GHBF CCN(CCNC(=O)Cn1c(C)cc2cc([N+](=O)[O-])ccc21)c1cccc(C)c1 45302024 XNLCDXGPTLETFR-UHFFFAOYSA-N 394.475 3.809 5 1 GHBF CC(C)[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197306 DOXCYILEFJPQMS-CQSZACIVSA-N 393.400 3.943 5 1 GHBF CCN(CC)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(OC)cc3c(=N)c12 31852797 XMXJZSOGXBXAQL-UHFFFAOYSA-N 397.479 3.861 5 1 GHBF O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1 101606158 HWONKCCXDYBMEO-XEWABKELSA-N 381.436 3.552 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2[N+](=O)[O-])N1 587747806 QFRAAGBIEOLSTC-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF Cc1cc(C)n(C[C@]2(c3cccc([N+](=O)[O-])c3)NCCc3ccc(F)c(C)c32)n1 962303896 YIRQVHJPWGTFOB-JOCHJYFZSA-N 394.450 3.945 5 1 GHBF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c[nH]c2ccc(OC)c([N+](=O)[O-])c12 963632101 FRPAVUWBPCDBHJ-YBTHPKLGSA-N 397.431 3.726 5 1 GHBF Cc1cc(Cl)cc2c1N[C@@H](c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)NC2=O 1857633094 GLEYLTJRFCDWQC-QGZVFWFLSA-N 383.795 3.801 5 1 GHBF C[N+](C)(C)Cc1c(F)c(N)c2c(c1F)O/C(=C1\C=CC(=N)C(F)=C1)C=C2O 38153303 RZTCFPNTWLZHGY-UHFFFAOYSA-O 378.374 3.742 5 1 GHBF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147769 FLRBBOPOFDRRDP-UHFFFAOYSA-N 383.452 3.936 5 1 GHBF CCN(CC)CCCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23 100897039 HUHCJYXNJIVBJY-UHFFFAOYSA-N 392.503 3.900 5 1 GHBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929585 OOJZICCVLMYSBQ-PCCBWWKXSA-N 379.460 3.969 5 1 GHBF Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577938 UWYTXRBLHYTDBE-DYESRHJHSA-N 392.367 3.881 5 1 GHBF COc1ccccc1CC(=O)c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587929791 LEHIJIPRDNTOHS-UHFFFAOYSA-N 390.193 3.668 5 1 GHBF CCOc1ccccc1[C@@](N)(c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(F)(F)F 587091501 DUFQMWUGSFHIIM-MRXNPFEDSA-N 380.326 3.634 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc([N+](=O)[O-])cc1 587576017 MEWULQDSPCHVDL-RTBURBONSA-N 377.352 3.873 5 1 GHBF O=C1C[C@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)Oc2c1ccc1c2CCCC1 587511232 OBGZBELRFARPDO-OAQYLSRUSA-N 381.384 3.505 5 1 GHBF COc1ccc([C@H]2NCCc3ccc(F)c(C)c32)cc1Cn1ccc([N+](=O)[O-])n1 962378682 UGPHPLRTBAAGOA-OAQYLSRUSA-N 396.422 3.531 5 1 GHBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1cccc([N+](=O)[O-])c1 2356850725 VVYKTTDPCGNACI-UHFFFAOYSA-N 378.364 3.846 5 1 GHBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587190065 FXPCNXZTAJBYIQ-OAHLLOKOSA-N 383.408 3.822 5 1 GHBF CCCCNC[C@H](O)COc1cc(OC(C)C)c2c(=O)c3ccccc3oc2c1 1772651427 NBSRCDRAQYSIQQ-INIZCTEOSA-N 399.487 3.863 5 1 GHBF CC1=Nc2[nH]ncc2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724282 DYEIBCPQVRZFSX-HOTGVXAUSA-N 381.417 3.872 5 1 GHBF Cc1cc([N+](=O)[O-])cnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657025 QJQPWWYCKWXMAQ-UHFFFAOYSA-N 394.337 3.943 5 1 GHBF COc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Cl 587091767 ISAWJUNHGKPAEQ-UHFFFAOYSA-N 375.694 3.559 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587269289 KYUFKZNNZHVVLA-UHFFFAOYSA-N 398.335 3.555 5 1 GHBF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2N1 587125268 RFBCQESYXXGKGQ-SREIQFSDSA-N 384.293 3.781 5 1 GHBF O=[N+]([O-])c1cccc(CCc2nc3cccc(I)c3[nH]2)c1 587270889 VUZXNFRVXIAXHC-UHFFFAOYSA-N 393.184 3.861 5 1 GHBF C[P@](=O)(OCC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 5764900 IILSLWCTSOCEAW-SANMLTNESA-N 380.249 3.604 5 1 GHBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587223211 APYSBBWXGVENSJ-CQSZACIVSA-N 397.438 3.743 5 1 GHBF COc1ccc(-c2cc3c(=O)nc(N4CCOCC4)oc3c3ccccc23)cc1 1772604502 SKUHEEJKSRIPNU-UHFFFAOYSA-N 388.423 3.853 5 1 GHBF O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2o1 66122808 SPIWIFUAIGGWMR-UHFFFAOYSA-N 377.356 3.525 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587270952 UYOZSXPPFURGKJ-JTQLQIEISA-N 396.632 3.525 5 1 GHBF Oc1nnc2c3cc(CN4CCC5(CC4)OCCO5)ccc3oc3cccc1c32 38215496 MFUAIGJUMKKIAV-UHFFFAOYSA-N 391.427 3.574 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C[N+](=O)[O-])c1ccccc1 587577971 VESDYMBIPYJWPC-NQIIRXRSSA-N 377.352 3.526 5 1 GHBF O=[N+]([O-])c1ccc(CCc2cc3c(O)nc(O)nc3nc2-c2ccccc2)cc1 587553339 GORDLWJFPRSNGF-UHFFFAOYSA-N 388.383 3.796 5 1 GHBF COc1ccc(-c2onc(-c3ccc([N+](=O)[O-])cc3)c2C2=NCCCN2)cc1 1629433 LHIYUSZRTHAPHT-UHFFFAOYSA-N 378.388 3.665 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)ccnc2[nH]1 587265900 YGXGGEIGXAIUOE-SECBINFHSA-N 390.783 3.871 5 1 GHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 587263473 AADCQZAHVAULIA-AYVTZFPOSA-N 391.771 3.567 5 1 GHBF Cc1c(Br)cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1C 587259404 DTSXXYFKEUQRPD-JFUSQASVSA-N 394.269 3.603 5 1 GHBF Cc1csc([C@@](O)(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C(F)(F)F)n1 587094302 PBTMPAINEYADQN-AWEZNQCLSA-N 386.355 3.537 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)nc3[nH]2)c1 587262648 VNNZBPBYZLWNAZ-UHFFFAOYSA-N 377.198 3.559 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc(CCOCc3ccccc3)[nH]c12 587565660 HHHDNRFZZNLBBL-UHFFFAOYSA-N 376.210 3.993 5 1 GHBF Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc(N)c1C(=O)OC(C)(C)C 473124703 ODJUQNHZNBGLOQ-UHFFFAOYSA-N 377.422 3.755 5 1 GHBF COc1c(OC(F)F)ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] 587383825 WGSDFCXWZFIBNL-AWEZNQCLSA-N 394.330 3.802 5 1 GHBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3 85949721 HMWZRDCCBKOTQZ-ZHRRBRCNSA-N 395.455 3.736 5 1 GHBF CS(=O)(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586950568 JDECUFWILXKQAQ-UHFFFAOYSA-N 389.440 3.698 5 1 GHBF O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 102955748 MBWRHNYGDKZGQQ-HUUCEWRRSA-N 383.429 3.724 5 1 GHBF COc1cc(N2CCC3(CC2)NCCc2c3sc(C)c2C)ccc1[N+](=O)[O-] 963012948 RVXAMKHQARMISY-UHFFFAOYSA-N 387.505 3.923 5 1 GHBF Cc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 169321862 PCCOKZOUDCXZMW-GBEXAXCTSA-N 399.450 3.916 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747207 NBRIHECDJBBHIK-VPTHRUTESA-N 381.201 3.826 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587744324 DEJPLERGLGTIIN-HUTHGQBESA-N 394.244 3.876 5 1 GHBF O=[N+]([O-])c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1[N+](=O)[O-] 587076111 IYCWRQWZWIEJRG-OAHLLOKOSA-N 387.739 3.650 5 1 GHBF CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1C[N+](=O)[O-])OCO3 1857754081 MINHRQVIKPVBJR-HNNXBMFYSA-N 392.367 3.732 5 1 GHBF CN1CCN(c2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)CC1 587139865 QLTIVGRLRUPQFA-UHFFFAOYSA-N 389.818 3.682 5 1 GHBF O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc([N+](=O)[O-])o1 22669715 CTLGLUHKCGLGEN-MRXNPFEDSA-N 380.356 3.714 5 1 GHBF CN(C)CCCNC(=O)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1 84689577 VWAZFNXPSBBTQS-UHFFFAOYSA-N 379.485 3.578 5 1 GHBF N=c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2ccccc2[nH]1 587254330 RKMKCFSDAUKRFB-UHFFFAOYSA-N 384.193 3.861 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Br)[C@@H](C2)C3=O 587413014 LRXBGTAYYQQTLG-SJCJKPOMSA-N 390.189 3.855 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3cccc(C(=O)O)c3[nH]2)c(C)c1[N+](=O)[O-] 587266784 ANQQPRXBSVRJTI-UHFFFAOYSA-N 391.387 3.698 5 1 GHBF O=C1O/C(=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2ccccc21 586905894 GBJOBIPZENWLQW-QPEQYQDCSA-N 386.161 3.902 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587748496 VDJVEFGNIQGDQS-HUTHGQBESA-N 394.244 3.876 5 1 GHBF Cc1cc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2cc1[N+](=O)[O-] 587161354 MZJWGAFTQTWRDA-UHFFFAOYSA-N 386.774 3.879 5 1 GHBF COc1ccc(-c2ccc3c(ccc4oc(N5CCOCC5)nc(=O)c43)c2)cc1 1772583168 PYSQNWXNMBKCBM-UHFFFAOYSA-N 388.423 3.853 5 1 GHBF O=C(CCn1cnc([N+](=O)[O-])n1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1857645079 HWQAXYIDJKLSCZ-UHFFFAOYSA-N 387.783 3.661 5 1 GHBF CCCCCCOc1c(OC)cc(CC(=O)OCCC[N+](C)(C)C)cc1OC 26262763 QPSHHFAUHLYIMT-UHFFFAOYSA-N 396.548 3.845 5 1 GHBF NCC1CCC(CNc2nc(N[C@@H]3CCc4ccccc43)ncc2[N+](=O)[O-])CC1 28898652 SZXUFUNUMFMUEH-JTTJXQCZSA-N 396.495 3.661 5 1 GHBF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc([N+](=O)[O-])c1 40423219 LIWCZRSBYYQURF-UHFFFAOYSA-N 375.344 3.771 5 1 GHBF O=C(NCC1CC1)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135144 IJNINEDMEAKMPT-UHFFFAOYSA-N 381.436 3.546 5 1 GHBF Cc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1C 586924645 DRIJOKUHMFWGEP-UHFFFAOYSA-N 379.825 3.812 5 1 GHBF Cc1cc(-c2c(O)c3c(=O)oc4ccccc4c3oc2=O)nn1-c1ccccc1 1857617070 UVHQKEDMWQNNAA-UHFFFAOYSA-N 386.363 3.766 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cnc2[nH]1 587266289 ZVRLDGJJXSVJAH-VIFPVBQESA-N 390.783 3.871 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587746043 IQVDTHYCYJAKNU-VVVCHXIZSA-N 393.212 3.933 5 1 GHBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 26378594 PFYNLXMDGKPGAM-LLVKDONJSA-N 377.784 3.755 5 1 GHBF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148622 DFKSVDZRXDEBEH-CQSZACIVSA-N 385.468 3.990 5 1 GHBF COC(=O)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109025 GGOYTTTVNJNXQD-UHFFFAOYSA-N 379.294 3.867 5 1 GHBF Cc1cc(N(C)Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c([N+](=O)[O-])cc1F 587136176 CEPCXFIPTSFVQM-UHFFFAOYSA-N 394.309 3.877 5 1 GHBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962628201 HAGMSPXDJASDHA-LRTDBIEQSA-N 386.448 3.977 5 1 GHBF CCN(CC)CCCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23 100894149 BICFJCPXFDSFHE-UHFFFAOYSA-N 378.476 3.591 5 1 GHBF COc1ccc2c(=O)c3c(O)cc(OC)c(CC=C(C)C)c3n(C)c2c1OC 14679121 QGNNTCSQQNPLKN-UHFFFAOYSA-N 383.444 3.932 5 1 GHBF biogenic CS(=O)(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1 82157977 NIKHKHUOSBNYKD-UHFFFAOYSA-N 378.409 3.552 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749848 ZTCJDVPYECUCNZ-VVVCHXIZSA-N 394.244 3.876 5 1 GHBF CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587013089 HMQHEODZISFQBQ-UHFFFAOYSA-N 382.243 3.722 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Br)cc2[nH]1 587268705 BWWUDTYUSZQDIT-UHFFFAOYSA-N 376.166 3.625 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747150 PGKAOHSEWPDNGZ-KZULUSFZSA-N 393.256 3.837 5 1 GHBF CC1=Nc2[nH]ncc2[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724262 JYUQECFASOQQRF-ZWKOTPCHSA-N 375.388 3.811 5 1 GHBF O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645689 IBTIEMXMMVQVAR-UHFFFAOYSA-N 389.314 3.825 5 1 GHBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 26502476 RTCARKQZKUEVLN-UHFFFAOYSA-N 382.399 3.530 5 1 GHBF O=C1OCC(Nc2ccccc2[N+](=O)[O-])=C1c1ccc(Br)cc1 72117045 QBQGMYIQDCGNNU-UHFFFAOYSA-N 375.178 3.737 5 1 GHBF O=C(Nc1nnc(-c2nc3ccc4ccccc4c3oc2=O)o1)c1ccccc1 73223750 CRMRWPITKDWNEV-UHFFFAOYSA-N 384.351 3.644 5 1 GHBF CC[C@H]1C[N@@+]2([O-])CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 253754554 NLSMUKLVXQHTTD-HEDUFXSDSA-N 384.476 3.829 5 1 GHBF Cc1c(-c2nc3ccc(CCO)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979570 GBWLERRVOJAOTP-UHFFFAOYSA-N 376.210 3.744 5 1 GHBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cs1 587019454 NRCXOBLSHKEBBF-UHFFFAOYSA-N 395.404 3.557 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OC)cc2[nH]1 587263754 OGLYPEMUPPLNHM-NSHDSACASA-N 385.376 3.831 5 1 GHBF CSc1nc2c3ccccc3ccn2c(=N)c1S(=O)(=O)c1ccccc1 13528558 FOEVVIXJKXZIBM-UHFFFAOYSA-N 381.482 3.522 5 1 GHBF Cc1ccc(C)c(CNc2ncc([N+](=O)[O-])c(NCC3CCC(CN)CC3)n2)c1 28898583 BIEMHEZHLKVDAG-UHFFFAOYSA-N 398.511 3.791 5 1 GHBF C[C]1C=CC(C)=CN1CC(=O)c1ccc(I)c([N+](=O)[O-])c1 2356840119 GXRVTPSOGVMYOF-UHFFFAOYSA-N 397.192 3.710 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CC[C@@H]3CO 14945599 OELQUMLEFCYDQY-LLVKDONJSA-N 395.418 3.792 5 1 GHBF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483410 QJZAILCNWPPLOX-UHFFFAOYSA-N 395.843 3.967 5 1 GHBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2c3cccnc3c3ncccc3c2[nH]1 587225752 SQULRKIXLCEPMA-AWEZNQCLSA-N 397.438 3.743 5 1 GHBF O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cccc3c2n1CCNC3 14945559 WKZDPMWITGMPFK-UHFFFAOYSA-N 398.397 3.555 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1[N+](=O)[O-] 586979805 VXHPAPIPWGQJDL-UHFFFAOYSA-N 398.560 3.857 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(Br)c1)O2 587377339 MMUXYWLIFZHODO-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@](C)(Cc3ccc(Cl)cc3[N+](=O)[O-])c3cccc1c32 963024806 LZRTZWLYOUBYIY-ZUOKHONESA-N 385.851 3.759 5 1 GHBF O=[N+]([O-])c1cc2c(cc1[C@@H]1NCCc3c(Cl)cc(Cl)cc31)OCCO2 963112416 PLCWJQOWCLFHNF-QGZVFWFLSA-N 381.215 3.908 5 1 GHBF O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@H]2Cn2ccnc2)cc1 40899048 HWONKCCXDYBMEO-IRXDYDNUSA-N 381.436 3.552 5 1 GHBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CO3)cc(OC[C@H]3CO3)c12 45385079 BHVDSBABVCNPTK-HZPDHXFCSA-N 390.391 3.655 5 1 GHBF C/C=C1/C[N+]2(C)C[C@H]3c4c(n(C)c5c(OC)cccc45)[C@@H]2C[C@@H]1[C@H]3C(=O)OCC 238742052 CWROKMXSMUFXRG-NPIYEPDHSA-N 395.523 3.931 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586918485 NFOLJKOJIJTMTL-ZDUSSCGKSA-N 376.166 3.746 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1[N+](=O)[O-])CC2=O 587468860 DXTMYIAXVBZFCS-SFHVURJKSA-N 385.372 3.746 5 1 GHBF CCCc1c2nc(C(=O)O)cc(SCC)c2cc2c(=O)cc(C(=O)O)oc12 29239677 APKHIKMNGMUSQR-UHFFFAOYSA-N 387.413 3.802 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 586922174 REMQNWQLBKQQEA-UHFFFAOYSA-N 394.412 3.507 5 1 GHBF CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(-c2ccc([N+](=O)[O-])cc2)c1 1857768872 BUXNIXGFFAASDO-GOSISDBHSA-N 397.456 3.618 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587749822 ZMOBZTBFOGDTNY-XLFHBGCDSA-N 393.212 3.933 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747168 MTAAAAZVYMPIPB-ZKANADHPSA-N 381.201 3.826 5 1 GHBF C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772627645 ZLFWFIZYALOODH-CYBMUJFWSA-N 375.328 3.633 5 1 GHBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 27554940 HMFQDQWWBMGIAU-LLVKDONJSA-N 377.784 3.755 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587749452 YDXLXRBHASQLEP-HUTHGQBESA-N 395.228 4.000 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)ncc2[nH]1 587263122 KARPWQFPRCDGPR-SECBINFHSA-N 390.783 3.871 5 1 GHBF CCCOc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br 587268203 OHFZQSUGBUYZPY-UHFFFAOYSA-N 392.213 3.667 5 1 GHBF Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980428 YPDDWKQEAOMSOS-UHFFFAOYSA-N 398.267 3.576 5 1 GHBF COc1cccc2c3c(cnc12)CCN[C@]31CCCOc2ccc([N+](=O)[O-])cc21 963058099 QFWMSIDCQQMOTC-QFIPXVFZSA-N 391.427 3.714 5 1 GHBF NCC1CCC(CNc2nc(N[C@H]3CCc4ccccc43)ncc2[N+](=O)[O-])CC1 28898646 SZXUFUNUMFMUEH-JMLCCBQJSA-N 396.495 3.661 5 1 GHBF CN1C(=O)C[C@H]2CN[C@@](c3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015832 ARFODBAOSNLCDP-FYSMJZIKSA-N 399.450 3.940 5 1 GHBF CC(=O)O[C@@H]1C[N+]2(COC(=O)[C@@H](c3ccccc3)C3CCCC3)CCC1CC2 27526589 GCUSKIYKUNJONT-QOGHZYJPSA-N 386.512 3.633 5 1 GHBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C[C@H](C(C)(C)O)O2 14610214 PMCGDAQXOZHJMW-QGZVFWFLSA-N 396.439 3.941 5 1 GHBF biogenic CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587114093 VIXNDHFNHXBKGA-QGZVFWFLSA-N 392.337 3.890 5 1 GHBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(O)c2)cc1OC 587928051 XGFAMAZURZAXAJ-UHFFFAOYSA-N 392.371 3.923 5 1 GHBF Cc1c(F)ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 586927772 WFOQGJGDQVQUDX-UHFFFAOYSA-N 383.788 3.643 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC[N+](=O)[O-])c1ccccc1 587575345 JKAMHWIATIYECB-SIKLNZKXSA-N 391.379 3.916 5 1 GHBF O=[N+]([O-])c1cncc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914621 ZOHQWZOHCYPFHE-UHFFFAOYSA-N 376.328 3.634 5 1 GHBF O=C1NC(=O)c2c1c1c(ccc3cc[nH]c31)c1c2c2ccccc2n1CCCO 13535046 AYJNSWHEIFEJGX-UHFFFAOYSA-N 383.407 3.695 5 1 GHBF COc1c(OC)c(OC)c2c(ccc3cc4c(cc32)OCO4)c1CCN(C)C 5957975 KROIVFRORWNBDK-UHFFFAOYSA-N 383.444 3.852 5 1 GHBF biogenic COc1cccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)co2)c1 72185272 YNZDQAKTWJSEMT-UHFFFAOYSA-N 394.431 3.581 5 1 GHBF COc1cc2c3c(c1)O[C@@H](C(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1)[C@@H](C2)C3=O 587434426 VDUYUBDPKASQGV-CSODHUTKSA-N 381.428 3.898 5 1 GHBF Cc1cc([N+](=O)[O-])nn1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986595 DFUUJMBIUFYLIY-UHFFFAOYSA-N 386.367 3.613 5 1 GHBF O=[N+]([O-])c1cncc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998119 GWXBYDMUIBZHGO-UPHRSURJSA-N 389.165 3.528 5 1 GHBF CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1 34842180 FUNHEVBLXUQXLG-UHFFFAOYSA-N 376.437 3.787 5 1 GHBF COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 64513078 QGEACCOGAFPHIJ-UHFFFAOYSA-N 386.385 3.858 5 1 GHBF Cc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174442 WGCJLGWOJAJYEG-HNNXBMFYSA-N 381.392 3.606 5 1 GHBF O=[N+]([O-])c1ccccc1CN[C@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] 66080340 IENNWGIJBJTCRV-ROUUACIJSA-N 384.436 3.694 5 1 GHBF CC[C@H]1CC[C@H](OC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719589 UGSGQZFMWQBJPK-BVPBIZIASA-N 387.436 3.948 5 1 GHBF CC1=Nc2[nH]ncc2[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724260 JYUQECFASOQQRF-QZTJIDSGSA-N 375.388 3.811 5 1 GHBF COc1ccc2c3nc4ccc(OC)cc4n(CCCN(C)C)c-3cc(=O)c2c1 299858708 GRLFOYDDCPBIPV-UHFFFAOYSA-N 391.471 3.623 5 1 GHBF CC[C@@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 82135749 UQUDQNUKCXRKKH-OAHLLOKOSA-N 397.479 3.816 5 1 GHBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845687 OOJZICCVLMYSBQ-NJDAHSKKSA-N 379.460 3.969 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC[N+](=O)[O-])c1ccccc1 587575343 JKAMHWIATIYECB-DENIHFKCSA-N 391.379 3.916 5 1 GHBF O=[N+]([O-])c1cc(Br)ccc1C[C@@H](O)c1ccc(-n2cccn2)cc1 1857644469 QTGYRGYXQAEFML-QGZVFWFLSA-N 388.221 3.819 5 1 GHBF COc1cc(Br)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC 1857753752 OVDPBYOFMQKUJL-UHFFFAOYSA-N 378.182 3.918 5 1 GHBF COc1cc(Oc2ccc(C(=O)NCc3ccncc3)cc2)ccc1[N+](=O)[O-] 72173184 NUZSDRZTHGSDTA-UHFFFAOYSA-N 379.372 3.721 5 1 GHBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cc([N+](=O)[O-])c4[nH]1)(C3)C2 587969315 LQZOJNFMKWKMGZ-JIIRDLKHSA-N 390.237 3.880 5 1 GHBF Cc1ccc(-n2ccnc2SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1 586967157 XWJLXKWENRBELT-UHFFFAOYSA-N 380.433 3.961 5 1 GHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 587268224 XRFQYKZNWYVKCG-LURJTMIESA-N 386.156 3.626 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C[N+](=O)[O-])(c2ccccc2)N1 587745990 KZIXHRXBFBGWMZ-GTNSWQLSSA-N 379.229 3.643 5 1 GHBF Cc1ccc(CN2CCCC[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 200053955 WYXXCPKMMFYZIM-LJQANCHMSA-N 396.447 3.606 5 3 GHBF CN(Cc1ccccc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2o1 1857596871 GRTVQZVGNDRESZ-UHFFFAOYSA-N 379.294 3.751 5 1 GHBF COCC[N@@+]1(C)CCC[C@H](C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 253681449 AUIUWDZZXQWWOQ-NYHFZMIOSA-N 392.541 3.994 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[N+](=O)[O-])(c2ccccc2)N1 587743675 FENOOLQOQSFROB-DIFFPNOSSA-N 379.229 3.643 5 1 GHBF COc1ccc(C=O)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587788093 VITDEGBIRGIVHT-UHFFFAOYSA-N 376.166 3.722 5 1 GHBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccc(OC(F)F)c1 587646659 ZSNJKHYYPFSNFD-UHFFFAOYSA-N 390.298 3.695 5 1 GHBF COc1ccc(-c2ccc([C@@H]3NCCc4nc5ccccn5c43)o2)cc1[N+](=O)[O-] 962988299 XYJZAVYWPBYMIB-FQEVSTJZSA-N 390.399 3.746 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@@H](O)CN1C3 68267593 PYOOBNNMRMMLBP-ZIAGYGMSSA-N 379.456 3.510 5 1 GHBF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@@H]1c1ccc([N+](=O)[O-])s1 84549503 ALGPNPPAHVDLJF-WSTOHFRZSA-N 380.422 3.858 5 1 GHBF COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(Cl)n1 587083608 BUELEGHAPYABTP-UHFFFAOYSA-N 383.589 3.958 5 1 GHBF N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587156650 ORSBWHVBLBLTGP-MGPLVRAMSA-N 391.200 3.714 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Cl)ccnc3[nH]2)CC1 587269692 MJXAVNJEPIYWBQ-UHFFFAOYSA-N 385.811 3.539 5 1 GHBF Cc1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 587656300 JCYTYNQCXNAJBQ-UHFFFAOYSA-N 394.337 3.943 5 1 GHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Cl)c2[nH]1 587264029 IZXADCWRNVOOPE-CLAHSXSESA-N 391.771 3.567 5 1 GHBF Cc1c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980404 XLISQAVAZFTQIY-UHFFFAOYSA-N 378.142 3.512 5 1 GHBF Cc1cc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1[N+](=O)[O-] 587037449 IXFVLGHVPWEEOB-SNVBAGLBSA-N 398.448 3.527 5 1 GHBF COc1cc2c(cc1O)oc(=O)c1c2cc2c3cc(OC)c(O)cc3ccn21 138037851 BPIDDOKKGXZLAP-UHFFFAOYSA-N 377.352 3.781 5 1 GHBF CCN1Cc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)[C@@H](O)C1 72317690 VDFINHSTQIXJDD-SFHVURJKSA-N 397.471 3.896 5 1 GHBF CCCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73196310 LSUITYHXXLCUTJ-QGZVFWFLSA-N 375.406 3.684 5 1 GHBF COc1cc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] 587263113 MGGFCHYVXMYVJO-UHFFFAOYSA-N 383.282 3.957 5 1 GHBF COC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587512205 VQIIRAPFFTXZMZ-GOSISDBHSA-N 381.384 3.967 5 1 GHBF CCn1c(=O)c2c3cc(OC(C)=O)ccc3oc2c2ccc(OC(C)=O)cc21 1636374 VGNDNKIDFQSNDT-UHFFFAOYSA-N 379.368 3.771 5 1 GHBF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2-c2ccc([N+](=O)[O-])cc21 962930844 ZHECUEUVSWYCBI-XMMPIXPASA-N 399.450 3.715 5 1 GHBF CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149027 BNCHRJZPSKKDED-UHFFFAOYSA-N 397.479 3.913 5 1 GHBF Cc1nc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2cc1Br 587148616 CSFMXPUOINOLSS-UHFFFAOYSA-N 381.161 3.655 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1ccc([N+](=O)[O-])cc1C2 587576507 OWLZUKYCPYNCTL-KNQAVFIVSA-N 389.363 3.800 5 1 GHBF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1[N+](=O)[O-] 3939517 QUMZSMIHYLGXCZ-UHFFFAOYSA-N 394.412 3.673 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1[N+](=O)[O-] 587232352 QVPJWALNPFMKQO-UHFFFAOYSA-N 393.359 3.929 5 1 GHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587272803 ALYDQQYIRMEPGY-ZDUSSCGKSA-N 375.388 3.702 5 1 GHBF COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261103 TYPJALJMJXRLSK-UHFFFAOYSA-N 394.181 3.623 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Cl 587006467 OEARNMHZNDCONQ-UHFFFAOYSA-N 393.588 3.597 5 1 GHBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(C=C(Nc3ccccc3[N+](=O)[O-])CCC2)N1 962908213 UIURLOSAZKOHFP-UWJYYQICSA-N 397.406 3.708 5 1 GHBF CCn1c2ccc(O)cc2c2cc3c(C(=O)NCCN(C)C)nccc3c(C)c21 26493545 OJTNGINNYSVXLW-UHFFFAOYSA-N 390.487 3.668 5 1 GHBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1c1ccc(O)cc1 45255633 RYUSKHAVBCFJDB-OAHLLOKOSA-N 397.416 3.629 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2[N+](=O)[O-])N1 587746348 JPPCDDYPUANDCN-XXFAHNHDSA-N 380.217 3.689 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](N)[C@@H]1CCCN1C3 73296355 ZGCLYFORSLOCKB-WMZHIEFXSA-N 378.472 3.997 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2[N+](=O)[O-])N1 587752340 RHFFNWRQDANDQU-XXFAHNHDSA-N 380.217 3.689 5 1 GHBF Cc1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2cc1[N+](=O)[O-] 587125762 UDEWARGMROMOBY-ISVAXAHUSA-N 380.330 3.951 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1Br)O2 587376011 GOZZEXIQGYIFBC-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)c(F)cc2[nH]1 587271048 YFEHZBQQAISRSR-LBPRGKRZSA-N 379.189 3.615 5 1 GHBF COC1=C[C@H]2c3c(c(CC[N+](C)(C)[O-])cc(OC)c3OC)C=C[C@H]2C=C1OC 40865000 SYSITYAUYXVPFI-WMLDXEAASA-N 387.476 3.621 5 1 GHBF CCCCc1cc(=O)oc2cc(OCc3nc4cncc([N+](=O)[O-])c4[nH]3)ccc12 586919320 ZVWUPBIKMMAZKV-UHFFFAOYSA-N 394.387 3.894 5 1 GHBF O=c1nc2n(-c3ccc(Cl)cc3)c3c(C(F)(F)F)cccc3cc-2c(=O)[nH]1 96286452 QOOGGDZVCDQTKW-UHFFFAOYSA-N 391.736 3.851 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1[N+](=O)[O-] 587142616 HZUYPVSPVGCLTC-UHFFFAOYSA-N 381.117 3.948 5 1 GHBF Cc1nc(NCc2ccc(F)cc2Cl)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821420 PZWDEYYQVYVGCK-UHFFFAOYSA-N 376.779 3.592 5 1 GHBF Cc1ccc(-c2nnc(SCc3nc4cccc([N+](=O)[O-])c4[nH]3)n2C)cc1 586966032 ZKSIPWGYXBBCAR-UHFFFAOYSA-N 380.433 3.867 5 1 GHBF N[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587157035 RAQNCFJINOITLJ-ABKXIKBNSA-N 391.200 3.714 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)cc([N+](=O)[O-])c1)CC2=O 587472693 KQKXRADBZAMURO-SFHVURJKSA-N 385.372 3.746 5 1 GHBF COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 221035648 SODMQXSDBXGNRZ-UHFFFAOYSA-N 388.361 3.854 5 1 GHBF Cc1onc(-c2nc3c(C)ccc(C)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080262 SONNQNFOCGCJPB-UHFFFAOYSA-N 386.799 3.950 5 1 GHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1cccc([N+](=O)[O-])c1 587871717 NVXYFAYQYNRIQF-UHFFFAOYSA-N 384.367 3.748 5 1 GHBF Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1C 587267027 SLUSODJJZOHRKS-APPDUMDISA-N 385.380 3.530 5 1 GHBF COc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)n1nc(C)cc1C 98084161 XTKUCWBHHXNLFS-UHFFFAOYSA-N 386.411 3.974 5 1 GHBF O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@H]2Cn2ccnc2)c(F)c1 40861166 WCZGKUJBGXNQGS-HOTGVXAUSA-N 399.426 3.691 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)c(F)cc2[nH]1 587118171 OHKZQMQFWFTGTH-UHFFFAOYSA-N 377.685 3.836 5 1 GHBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 586972031 DISSWVKARCZQDF-UHFFFAOYSA-N 395.448 3.862 5 1 GHBF CC[N+](CC)=c1ccc2nc3c(cc(NCCC(=O)O)c4ccccc43)oc-2c1 29058601 NUBVHDBAPUULHL-UHFFFAOYSA-O 390.463 3.784 5 1 GHBF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1 587646841 LKMBTXRUDDOEMB-UHFFFAOYSA-N 394.387 3.554 5 1 GHBF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cnccc12 5138633 LFLVIEIBRNBKFE-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@]1(C)CO1)O2 45484631 IGUXYWPFYUITQD-HYBUGGRVSA-N 387.435 3.946 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(Br)c2[nH]1 587269070 JXDZPHNKZZBIQL-UHFFFAOYSA-N 376.166 3.625 5 1 GHBF N[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1F 587148889 BJCMFYWPZJZASW-NSHDSACASA-N 383.152 3.560 5 1 GHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513941 VQXAMPQJYWLRJT-QFIPXVFZSA-N 395.411 3.897 5 1 GHBF CSc1nc2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c(Cl)cc2n1C 1857645485 DOFGMWBFMBYCDG-UHFFFAOYSA-N 377.813 3.504 5 1 GHBF CCN(CC)CCn1nc2c3ccccc3sc3c(CNC=O)ccc1c32 1891681 QKMNSESLTVGRBE-UHFFFAOYSA-N 380.517 3.992 5 1 GHBF COc1cc2c(cc1OC)C(/C=C(\O)c1ccc(OC)c([N+](=O)[O-])c1)=NCC2 101970127 LJKRHJDCTIHWNZ-BOPFTXTBSA-N 384.388 3.565 5 1 GHBF CC(=O)C[C@H](O)C[C@H](O)C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@H](C)O 2356698251 OIWOVMZWYLGFJQ-ONTLXTELSA-N 386.532 3.988 5 1 GHBF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-] 26577387 UQDUODRSYJTCBO-MRPLLJTBSA-N 393.421 3.660 5 1 GHBF CN1CCCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1 95586369 KGNCUTSDWNMVFL-UHFFFAOYSA-N 388.855 3.642 5 1 GHBF Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl 95589405 CAKDOAZUWFITOS-UHFFFAOYSA-N 388.855 3.561 5 1 GHBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)n1 587273580 LYSMGWMSNJMDLB-UHFFFAOYSA-N 377.404 3.879 5 1 GHBF CC[N+](C)(CC)CCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O 43017244 CTEYYHJFQJOQND-UHFFFAOYSA-O 388.491 3.662 5 1 GHBF N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1F 587144504 NGYBSMAAYQEOMK-LLVKDONJSA-N 397.179 3.754 5 1 GHBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)OCc1ccccc1 587646850 LVUJHCZXPVBNSR-UHFFFAOYSA-N 397.387 3.930 5 1 GHBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(OC)c1 587929552 WPOVZSUYYOKVKX-UHFFFAOYSA-N 386.364 3.572 5 1 GHBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4[nH]c13)C[C@@H](C(C)(C)O)O2 13380769 OWZCKIOXGYFDRM-INIZCTEOSA-N 395.455 3.676 5 1 GHBF biogenic O=C(O)COc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513311 RLQGSJNFWSHSGF-IBGZPJMESA-N 397.383 3.644 5 1 GHBF COc1cccc(N2C[C@@H](C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC2=O)c1 587280332 UGAKFQZWMMOJHD-LBPRGKRZSA-N 380.356 3.585 5 1 GHBF CC1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135576 XKJSDLBDSGACQQ-UHFFFAOYSA-N 395.463 3.746 5 1 GHBF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1cccc([N+](=O)[O-])c1 27865006 DEZIVKQLWGGXAY-LJQANCHMSA-N 397.431 3.858 5 1 GHBF COC(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586979997 LZWFXPSZFYTSRE-UHFFFAOYSA-N 390.193 3.996 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747414 QEDBGYXUZFPUOI-KZULUSFZSA-N 393.256 3.837 5 1 GHBF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccc1[N+](=O)[O-] 587630721 BLHFEHWENBFMDQ-UHFFFAOYSA-N 376.727 3.886 5 1 GHBF Cc1ccnc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587057471 XFRAVKXNQBRDMM-CQSZACIVSA-N 387.827 3.955 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(OC)c2[nH]1 587261608 CQMATOGWVXVDQN-LLVKDONJSA-N 385.376 3.831 5 1 GHBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586972009 CYIIKUSMOIMQCH-KRWDZBQOSA-N 384.461 3.890 5 1 GHBF N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cccc2ccccc12 587259101 XHTGQTIWGYJISG-AWEZNQCLSA-N 377.360 3.775 5 1 GHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)c(O)c2[nH]1 587158776 IOJWKZLQIRBJMG-UHFFFAOYSA-N 382.145 3.657 5 1 GHBF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587111318 AFEZRJPBYAPBNB-KRWDZBQOSA-N 392.337 3.890 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COc1ccc([N+](=O)[O-])cc1 587575361 JOZHIEFVEYXVPB-OALUTQOASA-N 393.351 3.710 5 1 GHBF Cn1c(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cs/c1=N/c1ccc(F)cc1 101162593 YONYXXDMLIGJSI-DYTRJAOYSA-N 386.408 3.548 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] 40895003 NBGJCNOYXFJZLK-LJQANCHMSA-N 382.376 3.814 5 1 GHBF CCN(CC)CCn1c2ccccc2c(=O)c2cc3ncn(C(C)C)c3nc21 474607842 KGYXNHFBVMYJMT-UHFFFAOYSA-N 377.492 3.822 5 1 GHBF CCN1C(=O)C[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1Cl 587062632 YZXRSVHBLMNCGC-DIFFPNOSSA-N 385.811 3.597 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc([N+](=O)[O-])c1O 587559394 WWJGPFFWWFAHFA-JXFKEZNVSA-N 397.314 3.848 5 1 GHBF CN1C(=O)C[C@H]2CN[C@H](c3cccc(C(F)(F)F)c3[N+](=O)[O-])c3cccc1c32 963030960 SIWMKTYYOKCMPN-BTDLBPIBSA-N 391.349 3.756 5 1 GHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587160177 KGWXGHGSFXXBFU-UHFFFAOYSA-N 381.117 3.948 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)O2 587391660 WOYJTCFRZBAKMV-QQUYBBDPSA-N 381.432 3.730 5 1 GHBF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1C 587647470 YSQOPOJVVBJSCJ-UHFFFAOYSA-N 393.399 3.845 5 1 GHBF Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCN(C)CC1 1772631650 BVCRMAXADCPENS-UHFFFAOYSA-N 377.532 3.799 5 1 GHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 587267405 YMOXJAJROGOKEH-ZETCQYMHSA-N 396.285 3.966 5 1 GHBF COc1cc(O)c2c(=O)c3cc4c5c(c(O)cc(O)c5c3oc2c1)OC4(C)C 49089589 NNYSRZZINKAKJR-UHFFFAOYSA-N 380.352 3.852 5 1 GHBF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1 587510387 AHZNVWODHCULDW-IBGZPJMESA-N 381.384 3.967 5 1 GHBF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1C 587647158 SMGLTRDOVFLHFK-UHFFFAOYSA-N 393.399 3.845 5 1 GHBF Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 7105347 CPRLNELNCUZYFV-UHFFFAOYSA-N 383.433 3.523 5 1 GHBF COc1cc(OCc2nc3cc(Br)c(C)nc3[nH]2)ccc1[N+](=O)[O-] 587262539 BVELYHDKENDEIL-UHFFFAOYSA-N 393.197 3.525 5 1 GHBF CC(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269094 FXPZSNRFIXSBKH-UHFFFAOYSA-N 392.415 3.694 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261585 CLXLYZBVTXLYPW-OIISXLGYSA-N 393.443 3.802 5 1 GHBF CCOc1cc(C=O)c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-] 587937378 QNMSKSUUZCKMFG-UHFFFAOYSA-N 383.198 3.758 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc([N+](=O)[O-])c1O)O2 587374994 AXIWAUJZLRDTID-AWEZNQCLSA-N 393.193 3.660 5 1 GHBF Cn1ccc2ccc3c(c4c(c5c6ccccc6n(CCCO)c35)C(=O)NC4=O)c21 13535051 WJUDNUYEJHIKQQ-UHFFFAOYSA-N 397.434 3.705 5 1 GHBF Cn1nccc1CS(=O)(=O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 586922921 DQTJIHJWOFITKY-UHFFFAOYSA-N 390.468 3.718 5 1 GHBF O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc([N+](=O)[O-])cc1 1377889 PYTIZZYLOBXTSM-QZTJIDSGSA-N 385.489 3.972 5 1 GHBF O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c(Cl)c1 621476385 MBLVWAIDHYXVKU-UHFFFAOYSA-N 396.742 3.900 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587269053 IYGLJAYVDSASMR-UHFFFAOYSA-N 381.266 3.761 5 1 GHBF O=[N+]([O-])c1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1F 587118938 SZTXNASMKIIYIH-UHFFFAOYSA-N 396.260 3.529 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCCCCCn1cnc2cc(Cl)ccc2c1=O 473122485 SGSHAXLEXCHLPX-UHFFFAOYSA-N 389.843 3.724 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc([N+](=O)[O-])c1)O2 587375963 GBXPHITWSZOXIC-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587747847 QKVZDPDPMDKKEW-BCTVWOGZSA-N 380.217 3.702 5 1 GHBF CCC(CC)Nc1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 15937489 GTJCPILQGCYFQM-SFHVURJKSA-N 398.463 3.542 5 3 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1COCCN1C3 72112401 UKGIPGPYRFDWRS-CQSZACIVSA-N 379.456 3.776 5 1 GHBF O=[N+]([O-])c1cncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587018305 VMLXRSMBXUTEOD-UHFFFAOYSA-N 389.400 3.703 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(C)(C)C)nc2[nH]1 587116840 DKHJZCVJJIAZRS-UHFFFAOYSA-N 382.346 3.736 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2[N+](=O)[O-])N1 587752338 RHFFNWRQDANDQU-FVMDXXJSSA-N 380.217 3.689 5 1 GHBF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587240767 WITJUHXTPSMWRV-UHFFFAOYSA-N 390.197 3.700 5 1 GHBF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2N1 587125248 RFBCQESYXXGKGQ-QTTZVWFDSA-N 384.293 3.781 5 1 GHBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587040119 KFVZPBGCPQNARG-INIZCTEOSA-N 398.444 3.758 5 1 GHBF Cc1c(Br)cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1C 587266885 CBKLPDZHVUIFOX-SNVBAGLBSA-N 378.230 3.965 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)cc(F)c3[nH]2)CC1 587269118 GRLCXHUNVRCQNZ-UHFFFAOYSA-N 386.358 3.769 5 1 GHBF COc1cc2c(cc1OC)[C@](C)(CC(=O)c1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C2 962643405 WYINPOIFIMBANE-PEBXRYMYSA-N 398.459 3.977 5 1 GHBF CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 28526770 CZWXCISCWSFVSM-INIZCTEOSA-N 386.795 3.515 5 1 GHBF O=[N+]([O-])c1cncc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586922084 QMUDPQXBCJHFJH-UHFFFAOYSA-N 394.412 3.507 5 1 GHBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@@]1(C)NCCc2cc(C)c(F)cc21 962296153 FAKOQGFGWDUHID-RKPWUKJMSA-N 384.407 3.660 5 1 GHBF O=[N+]([O-])c1cc(-c2nnc(SCCCN3CCCCC3)o2)cc([N+](=O)[O-])c1 1772616775 KRHWKNJJMMHVDJ-UHFFFAOYSA-N 393.425 3.521 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587749891 ZYVNEMBKJCELCF-BCTVWOGZSA-N 396.216 3.524 5 1 GHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586915151 BFHLPJRWKQGHJL-HXPMCKFVSA-N 396.359 3.596 5 1 GHBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(OC(F)F)cc1 587646564 VBGGASPBAAWJHI-UHFFFAOYSA-N 390.298 3.695 5 1 GHBF CS(=O)(=O)c1cc(-c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586928135 XTEBMBYKSCSMFN-UHFFFAOYSA-N 386.216 3.848 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2[N+](=O)[O-])N1 587749816 ZMFVZVDGDUAOMQ-ABKXIKBNSA-N 380.217 3.689 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c([N+](=O)[O-])cc1OC)CC2=O 587472773 MUCVVNFTIWJYRU-SFHVURJKSA-N 387.388 3.977 5 1 GHBF CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 587013789 CHBJUORXMPWOPR-MRVPVSSYSA-N 377.382 3.909 5 1 GHBF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cs1 587020265 KUCOFSJEJJTXHZ-UHFFFAOYSA-N 375.410 3.865 5 1 GHBF CC[C@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)N1C(=O)c2ccccc2C1=O 587279366 HDQVILJMWXLENM-MRXNPFEDSA-N 378.340 3.599 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)CC2=O 587472558 JVJGUCLFVUCTGA-MRXNPFEDSA-N 388.332 3.573 5 1 GHBF O=[N+]([O-])c1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] 66080342 IENNWGIJBJTCRV-QZTJIDSGSA-N 384.436 3.694 5 1 GHBF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccc([N+](=O)[O-])cc1 73157621 YDIXDTUCJGTEJV-OAHLLOKOSA-N 379.397 3.881 5 1 GHBF Cc1nn(C[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1[N+](=O)[O-] 587875054 MHFCCFGIUDQHJP-VIFPVBQESA-N 385.355 3.493 5 1 GHBF COc1cc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] 587263177 NRXITUBECGMQAH-UHFFFAOYSA-N 378.728 3.620 5 1 GHBF O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccc([N+](=O)[O-])cc1 1377892 PYTIZZYLOBXTSM-ROUUACIJSA-N 385.489 3.972 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nn1CC(F)(F)F 587093251 YXNCCBGUULTYRE-UHFFFAOYSA-N 395.219 3.796 5 1 GHBF O=c1c2c(ncn2Cc2cccc([N+](=O)[O-])c2)c2cccnc2n1-c1ccccc1 26723566 CUWKIFXVBKNXJS-UHFFFAOYSA-N 397.394 3.692 5 1 GHBF N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F 587145362 XOFIIJMZXPSIMY-LLVKDONJSA-N 379.189 3.615 5 1 GHBF CSc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586924566 CBBHEPNDKVBRAN-UHFFFAOYSA-N 397.865 3.917 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](C2)C3=O 587431845 HLZSCWPHJQTUTG-HRAATJIYSA-N 380.400 3.692 5 1 GHBF NC(=O)c1cc(N2CCC(c3nc4cccc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263152 NKRZASWUSLHSLM-UHFFFAOYSA-N 399.838 3.607 5 1 GHBF Cc1cc(C)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587265513 FWJAVZAUECGXSD-GTNSWQLSSA-N 385.380 3.530 5 1 GHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 587646712 ILNWXGKJMSLSKO-UHFFFAOYSA-N 378.388 3.985 5 1 GHBF COCCNc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587261703 GVJBGYMGVTUUCY-UHFFFAOYSA-N 382.207 3.898 5 1 GHBF Cc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1[N+](=O)[O-] 587120093 QPJRHQVYLGAMNL-UHFFFAOYSA-N 392.297 3.698 5 1 GHBF Cc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3c(C)c12 1772574007 WMBDHCPZFGOXOU-UHFFFAOYSA-N 375.388 3.748 5 1 GHBF CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149924 ADXPOPXPCRWGSS-CQSZACIVSA-N 383.452 3.888 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2[N+](=O)[O-])N1 587745718 IFINMGOBKGEQNP-ZKANADHPSA-N 381.201 3.826 5 1 GHBF CCN(CC)CCn1cc2c([N+](=O)[O-])ccc3c2c1-c1ccccc1S3(=O)=O 71340767 LFPAGYWTWMVNDO-UHFFFAOYSA-N 399.472 3.705 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1F 587002433 FJSDOQGQFJRJQR-UHFFFAOYSA-N 376.145 3.916 5 1 GHBF Cc1oc(-c2ccsc2)nc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587027601 WIAUWIGFHLOPSK-UHFFFAOYSA-N 385.361 3.995 5 1 GHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(O)c2[nH]1 587054415 KKCFEVMMBGEUGR-OAHLLOKOSA-N 388.811 3.957 5 1 GHBF Cc1cc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2cc1[N+](=O)[O-] 587145480 ZDNGQGKVPCKRIN-LBPRGKRZSA-N 393.216 3.924 5 1 GHBF C[C@@]1(c2cccc(O)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579405 ZMMOYPQXYAMDCX-UWJYYQICSA-N 393.351 3.883 5 1 GHBF O=C(Nc1nc2cc(F)ccc2n1[C@H]1CC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 653747930 DQEONMVYEBMSJA-DOMZBBRYSA-N 398.394 3.669 5 1 GHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(O)c2[nH]1 587054414 KKCFEVMMBGEUGR-HNNXBMFYSA-N 388.811 3.957 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Br)ccnc3[nH]2)c1 587270380 WUGOYAWIKANUAD-UHFFFAOYSA-N 388.225 3.896 5 1 GHBF CCN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135472 HTHVGMMCBCBZFG-UHFFFAOYSA-N 397.479 3.913 5 1 GHBF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150203 NGRXOYJOQNFTEP-GASCZTMLSA-N 397.479 3.626 5 1 GHBF Cc1cnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587743652 BAWQVSFVEZWOMB-DYZYQPBXSA-N 394.244 3.998 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[N+](=O)[O-])(c2ccccc2)N1 587745992 KZIXHRXBFBGWMZ-PIGZYNQJSA-N 379.229 3.643 5 1 GHBF O=[N+]([O-])c1cncc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116397 VPFDUBMOJVUIJK-UHFFFAOYSA-N 388.103 3.709 5 1 GHBF Nc1ccc(C(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 1772611937 DLCZYUXGIIAEEO-UHFFFAOYSA-N 382.467 3.933 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 29343460 OSLSFTCRPLXEBM-WTNDLDAUSA-N 380.784 3.669 5 1 GHBF O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3nsc4ccccc34)CC2)cc1 299825015 UPDVYCSAZWBUBM-UHFFFAOYSA-N 399.501 3.724 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1Br)O2 587378540 VARCAWRKIWZYLG-CQSZACIVSA-N 377.194 3.954 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1[N+](=O)[O-] 587579121 YWBUTJVCPVJLBD-FXAWDEMLSA-N 379.324 3.709 5 1 GHBF Cc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163601 YHJUSFQWKAXZFR-HNNXBMFYSA-N 381.392 3.606 5 1 GHBF C[C@@]1(c2cc([N+](=O)[O-])ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572958 ANOOJMIULLEDIX-RXVVDRJESA-N 392.367 3.760 5 1 GHBF CSc1nnc(-c2ccc(COC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2)o1 1857630459 DMRIPGRCEWQQKS-UHFFFAOYSA-N 387.377 3.510 5 1 GHBF COC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccc(OC(F)(F)F)cc12 1911573945 ACFMRNSWQGKWDJ-UHFFFAOYSA-N 390.317 3.699 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cccc([N+](=O)[O-])c1Cl 100055316 ZXZFIQASKYXFFG-IZCBMXNHSA-N 380.784 3.669 5 1 GHBF O=C(O)[C@@H]1CC[C@H](C[C@]2(c3ccccc3[N+](=O)[O-])NCCc3ccc(O)cc32)C1 963340044 FJSGYHWHMOGJGX-GZWGPKMKSA-N 396.443 3.581 5 1 GHBF C[C@](O)(Cc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1772653295 FCKJQUOYRCQEIW-KRWDZBQOSA-N 385.313 3.858 5 1 GHBF COc1c(OC)c(OC)c2c(ccc3cc4c(cc32)OCO4)c1CC[N+](C)(C)[O-] 14765617 LIMXAFQZWWYQRC-UHFFFAOYSA-N 399.443 3.864 5 1 GHBF CCOC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccc(Br)cc12 1911576649 VUUCFMFYZHKWLI-UHFFFAOYSA-N 399.244 3.953 5 1 GHBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OC(F)F 587383220 RQNBKPMNVLBBOH-AWEZNQCLSA-N 394.330 3.802 5 1 GHBF O=C([C@@H]1Cc2ccccc2[C@H](c2c(F)ccc([N+](=O)[O-])c2F)N1)C(F)(F)F 962765205 MJQCLHLXXANOHE-XHDPSFHLSA-N 386.276 3.608 5 1 GHBF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccc(O)c([N+](=O)[O-])c1 73161051 FGYXWZJTVBZDNP-OAHLLOKOSA-N 395.396 3.587 5 1 GHBF COc1c(O)cc2oc3c4ccc(O)cc4oc(=O)c3c2c1CCC(C)(C)O 14819195 TUTUMQZQMWKQLL-UHFFFAOYSA-N 384.384 3.816 5 1 GHBF biogenic COc1ccc(-c2ccccc2CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1F 45284619 QZEMSYKFTKKGLY-HNNXBMFYSA-N 399.378 3.584 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)O2 587389922 NWIAHUCUVAOQKY-GOSISDBHSA-N 378.388 3.592 5 1 GHBF N[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1F 587148877 BDEDSYIFCIJGNG-LBPRGKRZSA-N 383.152 3.560 5 1 GHBF CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC(C)C 82222815 XMNMUANZVBIULW-AWEZNQCLSA-N 394.522 3.777 5 1 GHBF O=S(=O)(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 299832348 GAGNTCPUGSYRSJ-UHFFFAOYSA-N 376.397 3.573 5 1 GHBF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1[N+](=O)[O-])OCO3)CC2=O 587471831 WCQBQZNCFPMUPP-FQEVSTJZSA-N 385.372 3.862 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)c([N+](=O)[O-])c1)CC2=O 587468760 DCYKMOSPHZXLID-QGZVFWFLSA-N 387.388 3.977 5 1 GHBF COc1cc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc(OC)c1OC 103244226 GWRRSDYREVCXHH-UHFFFAOYSA-N 387.348 3.544 5 1 GHBF CCOC(=O)c1nc(O)c2cc3cc(OCc4ccccc4)ccc3nc2n1 26641602 DGCYIHNIAVFSBW-UHFFFAOYSA-N 375.384 3.639 5 1 GHBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])c[nH]1 587865788 IXKYVBKPEWTKAU-UHFFFAOYSA-N 394.309 3.892 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1Br)[C@@H](C2)C3=O 587414046 RFLSPTWNNVGACD-YVEFUNNKSA-N 390.189 3.855 5 1 GHBF CCCCn1c(=O)c2ccccc2c2cc(OC(=O)N3CCOCC3)ccc21 1772657586 VCUYIMOTHGFZMI-UHFFFAOYSA-N 380.444 3.786 5 1 GHBF CC(C)c1ccc2nc3ccc(C(=O)OCCN4CCCCC4)cn3c(=O)c2c1 29398211 CLBMEXNYIHCUAF-UHFFFAOYSA-N 393.487 3.614 5 1 GHBF CCc1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 587079280 IQIKOEUTJBTBCQ-UHFFFAOYSA-N 386.799 3.895 5 1 GHBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962896156 JBZUTCIOCGUZTP-YOEHRIQHSA-N 376.409 3.534 5 1 GHBF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1cc2cc([N+](=O)[O-])ccc2o1 53312589 POHISOOOOXJVGV-QGZVFWFLSA-N 376.372 3.557 5 1 GHBF Nc1c(Cl)cc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1Cl 36387375 DUTTUNWLYJFCOC-UHFFFAOYSA-N 376.203 3.685 5 3 GHBF CCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3 71280526 SDHMPFJIYHARSG-UHFFFAOYSA-N 389.455 3.773 5 1 GHBF Cc1nc(N(C)Cc2ccccc2)nc(-n2c(C)nc3ccccc32)c1[N+](=O)[O-] 40766735 HTBAEHOHFKULAH-UHFFFAOYSA-N 388.431 3.977 5 1 GHBF COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587433132 OMWZJSZMHNAQPA-VBKZILBWSA-N 398.371 3.791 5 1 GHBF CC(C)(C)N(CCCc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 66251843 IJLZQHZBXXKLOC-UHFFFAOYSA-N 388.420 3.605 5 1 GHBF CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NC(C)C 82222814 LGUZMZZCJKMKMM-AWEZNQCLSA-N 394.522 3.777 5 1 GHBF CC(C)(O)CCc1ccc(O)c2c(=O)c3cc4c(cc3oc12)O[C@@H]1OC=C[C@H]41 238782212 AQCBXNBFMWPAAG-GTJPDFRWSA-N 380.396 3.701 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3nn(C)cc3[N+](=O)[O-])c1)O2 587390018 OVRNXSCRAREQPP-GOSISDBHSA-N 394.387 3.718 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccnc(Cl)c3[nH]2)CC1 587269734 NFUQSEHTEUCGMK-UHFFFAOYSA-N 385.811 3.539 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Br)O2 587378040 RJGAKNUYQFFBIU-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF CC[N+](CC)=c1ccc2nc3c(cc(NCCCO)c4ccccc43)oc-2c1 29058721 IUXDCUJECJMAFD-UHFFFAOYSA-O 376.480 3.692 5 1 GHBF NCCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95582634 WTVGWKKMFMLBSP-UHFFFAOYSA-N 384.219 3.882 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)nn1CC(F)(F)F 587091281 CYYORFVULLRGOG-UHFFFAOYSA-N 381.101 3.599 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C)CN1C3 72112125 LCNKZEVXJZEBPH-AWEZNQCLSA-N 378.472 3.648 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1[C@@H](O)CCN1C3 95554337 SEZONGIKROPSNH-SFTDATJTSA-N 379.456 3.510 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c([N+](=O)[O-])c1 587578696 WVWUHAKNVNHWRS-PXNSSMCTSA-N 379.324 3.709 5 1 GHBF Cc1cnc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745162 GNIKVTGBIRBYIH-DYZYQPBXSA-N 394.244 3.998 5 1 GHBF C[N+](C)([O-])CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 28818007 SHWNWQHZSOVWHX-UHFFFAOYSA-N 390.464 3.895 5 1 GHBF O=C(CCS(=O)(=O)c1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280272 QQMTVDAWPLJHGW-UHFFFAOYSA-N 377.349 3.527 5 1 GHBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587223203 APYSBBWXGVENSJ-AWEZNQCLSA-N 397.438 3.743 5 1 GHBF C[C@@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2c([N+](=O)[O-])cnc2S1 1772631898 IAOBTTWVMZCKKP-AWEZNQCLSA-N 389.355 3.771 5 1 GHBF CC1(C)C=Cc2c(ccc3oc4cc5c(c(O)c4c(=O)c23)C[C@H](C(C)(C)O)O5)O1 13382573 XSIMSXOSXLZQRA-QGZVFWFLSA-N 394.423 3.910 5 1 GHBF biogenic CCCc1c(O)ccc2c1O[C@@H](c1c([N+](=O)[O-])c(C(C)(C)C)nn1C)CC2=O 587473507 WJQGRBBZIJYOBW-OAHLLOKOSA-N 387.436 3.990 5 1 GHBF CN(C)CCOc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269508 PJKXRYDAWPEESF-UHFFFAOYSA-N 395.463 3.679 5 1 GHBF O=[N+]([O-])c1ccc([C@H]2NC(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4CCC[C@H]23)cc1 6536130 VUXCFQZRWRCNSK-KBAYOESNSA-N 398.444 3.716 5 1 GHBF Cc1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=O)NCCCN(C)C)cc3c12 84689580 HGPGFWXWUGWICH-UHFFFAOYSA-N 393.512 3.886 5 1 GHBF O=C(Nc1nc2cc(F)ccc2n1[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 257999717 XNUPNXHFLPKLRH-KOMQPUFPSA-N 398.394 3.812 5 1 GHBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845638 NIQXWMCAMSFQFU-QHAWAJNXSA-N 379.460 3.969 5 1 GHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccccc1 169321859 QDQZWRSHLGBPSP-ZZLPTCMGSA-N 385.423 3.608 5 1 GHBF Cc1c(Br)cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1C 587259411 DTSXXYFKEUQRPD-ZHAHWJHGSA-N 394.269 3.603 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cccc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1O 1857621988 UYJGVYWDPXVTHY-ZEGBCVJQSA-N 383.448 3.655 5 1 GHBF CCN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134983 VVIWIFMTUARRBH-UHFFFAOYSA-N 397.479 3.818 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264746 SLNFTBRBUPLAFZ-IWSPIJDZSA-N 389.761 3.896 5 1 GHBF O=C(OCC(F)(F)F)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1857549882 JUOQZAPYUDMLSW-UHFFFAOYSA-N 382.254 3.594 5 1 GHBF COc1cc2sc(-c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c3N)nc2cc1F 114397918 LRRJNLYSEOWSMN-UHFFFAOYSA-N 385.380 3.992 5 1 GHBF COc1cc2c(=O)n(CCCN(C)C)c3c4cccnc4ccc3c2cc1OC 71294476 RZYGDAUCUARQGM-UHFFFAOYSA-N 391.471 3.672 5 1 GHBF Cn1c2ccccc2c(=NCCCN2CCOCC2)c2oc3ccccc3c21 377811532 OIMCVQNYKNTPOB-UHFFFAOYSA-N 375.472 3.701 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587749821 ZMOBZTBFOGDTNY-VVVCHXIZSA-N 393.212 3.933 5 1 GHBF COc1ccc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])cc1 299822541 AVOAXQZCXJONPH-UHFFFAOYSA-N 398.346 3.758 5 1 GHBF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574208 DSZJMJYRYRNIHL-GHTZIAJQSA-N 391.335 3.816 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cncc(Cl)c3[nH]2)CC1 587269656 LEWQNQARFNSSFH-UHFFFAOYSA-N 385.811 3.539 5 1 GHBF CCN(CC)CCn1nc2c3ccccc3sc3c(NC(=O)CN)ccc1c32 29330518 TVFVUHQTAIJDCL-UHFFFAOYSA-N 395.532 3.643 5 1 GHBF COc1cccc(F)c1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 45319002 NKAULLJIIRVHQS-HNNXBMFYSA-N 399.378 3.584 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587261392 AMHKANWRTRLKOS-UHFFFAOYSA-N 381.367 3.726 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cncc(Br)c3[nH]2)c1 587270360 WJDLWRQUCGUHPZ-UHFFFAOYSA-N 388.225 3.896 5 1 GHBF Cc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980460 ZXBYKXZITYUQMV-CQSZACIVSA-N 390.197 3.933 5 1 GHBF CCOc1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c([N+](=O)[O-])c1 962731751 UFPGYPTZVSEICH-DOTOQJQBSA-N 394.349 3.729 5 1 GHBF Cc1ccc(C)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587266748 NZRNUYUHLSHZKT-GTNSWQLSSA-N 385.380 3.530 5 1 GHBF COC(=N)c1nc2ccc3ncnc(Nc4ccc(O)c([N+](=O)[O-])c4)c3c2s1 96270440 HFJRGZBUEXFBMO-UHFFFAOYSA-N 396.388 3.569 5 1 GHBF CC[C@]12CCC[N@+]3([O-])CC[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 299809089 YPPCMYNDPGBUJI-ZUTPNKNVSA-N 388.895 3.842 5 1 GHBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586962330 QENSOECJAASEHF-VIFPVBQESA-N 389.444 3.590 5 1 GHBF NCCCCNCCCNCCCNCc1c2ccccc2cc2ccccc12 13522163 NTSIGXZPDYHYFY-UHFFFAOYSA-N 392.591 3.781 5 1 GHBF O=Cc1cc(Br)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 586983098 VROJHBVUWIJRPR-UHFFFAOYSA-N 391.137 3.621 5 1 GHBF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccc([N+](=O)[O-])c1 587631122 HCXGSAVQLXRGOF-UHFFFAOYSA-N 376.727 3.886 5 1 GHBF N[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587156651 ORSBWHVBLBLTGP-QFYYESIMSA-N 391.200 3.714 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587743482 AUCBPIYLHGILAD-XLFHBGCDSA-N 395.228 4.000 5 1 GHBF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587417598 CULBOYSRSVRGCG-BUXKBTBVSA-N 389.791 3.928 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(F)c(Br)c2[nH]1 587268144 LTAKLVKJATUHJI-UHFFFAOYSA-N 382.193 3.741 5 1 GHBF O=[N+]([O-])c1cn(C[C@H](O)c2ccc(-c3ccccc3)cc2)c(Br)n1 66077260 HFBYWRUVWMCGDZ-HNNXBMFYSA-N 388.221 3.954 5 1 GHBF COc1cc2cc(CCN)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40848104 AMPWOXWVPFAEIR-UHFFFAOYSA-N 376.412 3.788 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@]1(CO)CCCN1C3 95602500 KSSDYLDWAFPPIT-XMMPIXPASA-N 393.483 3.902 5 1 GHBF Cc1c(Br)cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1C 587259410 DTSXXYFKEUQRPD-UWJYBYFXSA-N 394.269 3.603 5 1 GHBF CC(C)c1ccc(COc2cc([N+](=O)[O-])ccc2N(C)S(C)(=O)=O)cc1 35324004 YJPSZEHNXANGKV-UHFFFAOYSA-N 378.450 3.693 5 1 GHBF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174133 COLUMBXEGXLTGW-UHFFFAOYSA-N 383.408 3.772 5 1 GHBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C(=O)OC)cc([N+](=O)[O-])c2)N1 962941370 DROULMLFIPWQFG-KUHUBIRLSA-N 379.416 3.876 5 1 GHBF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134940 YHDGUIPPOJKZCT-KSSFIOAISA-N 397.479 3.816 5 1 GHBF Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c2c1nnc1cc(Cl)c(F)cc12 95563052 VSNVWIZDXRKDSQ-UHFFFAOYSA-N 385.742 3.677 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1[N+](=O)[O-] 587579123 YWBUTJVCPVJLBD-XLIONFOSSA-N 379.324 3.709 5 1 GHBF Cc1cc(N(C)Cc2nc3ccnc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587137183 RWONKZUNESGLOP-UHFFFAOYSA-N 394.204 3.713 5 1 GHBF COc1cccc2sc3cc(NCCCN4CCOCC4)ccc3c(=O)c12 102797029 FRTWSGLWRQWCRC-UHFFFAOYSA-N 384.501 3.558 5 3 GHBF O=C(O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587511050 MWJHZEHHPCFDBS-LJQANCHMSA-N 397.383 3.644 5 1 GHBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3 29483766 GVWLJQGOAKYOBK-KSFYIVLOSA-N 395.455 3.736 5 1 GHBF biogenic O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1cccc([N+](=O)[O-])c1C2 587574947 HEOOVHQZLCLJLI-SIKLNZKXSA-N 389.363 3.800 5 1 GHBF CN(C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 61958620 RJPBGPZUEVNJSH-UHFFFAOYSA-N 381.432 3.791 5 3 GHBF Cc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1[N+](=O)[O-] 587120330 YPBIYYINBFODSZ-UHFFFAOYSA-N 379.342 3.922 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3nn(C)cc3[N+](=O)[O-])c1)O2 587390019 OVRNXSCRAREQPP-SFHVURJKSA-N 394.387 3.718 5 1 GHBF CCCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135523 MLQXIGVPYOZCJX-UHFFFAOYSA-N 383.452 3.890 5 1 GHBF CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2cccc(F)c12 587634878 ALLDRPNVMPXFRQ-UHFFFAOYSA-N 386.335 3.642 5 1 GHBF CC[C@H]1CC[C@H](OC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719590 UGSGQZFMWQBJPK-HNONPPJISA-N 387.436 3.948 5 1 GHBF CC[C@@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135741 GGLFDHAFMURPDR-CQSZACIVSA-N 383.452 3.570 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1[N+](=O)[O-] 587579122 YWBUTJVCPVJLBD-PXNSSMCTSA-N 379.324 3.709 5 1 GHBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587275157 XCDZEPXLUDYDKG-UHFFFAOYSA-N 390.119 3.653 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587017054 HQFUGUUXYDRZBZ-UHFFFAOYSA-N 389.400 3.703 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1[N+](=O)[O-])[C@@H](C2)C3=O 587413287 MLSHDXIJZVOYNF-DYZYQPBXSA-N 390.189 3.855 5 1 GHBF Cc1cnc(Cl)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 587266032 IQCVWLQGVIQJIS-QMMMGPOBSA-N 376.760 3.909 5 1 GHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587268257 ZDAQPLXKCBWCNF-CYBMUJFWSA-N 375.388 3.816 5 1 GHBF CCOc1ccccc1[C@](N)(c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(F)(F)F 587091500 DUFQMWUGSFHIIM-INIZCTEOSA-N 380.326 3.634 5 1 GHBF CCOC(=O)[C@H]1C(CCc2ccccc2)=NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 169693306 XENKLCBIKZAIEL-RBUKOAKNSA-N 395.415 3.612 5 1 GHBF O=Cc1ccc(OCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587566437 MPFXDWKSDGBVHN-UHFFFAOYSA-N 390.193 3.668 5 1 GHBF Nc1ccc(-c2nc3cc(C4=N[C@H]5CCCC[C@H]5N4)ccc3o2)cc1[N+](=O)[O-] 45226465 SKHFFKHGHYIJJF-GASCZTMLSA-N 377.404 3.646 5 1 GHBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845636 NIQXWMCAMSFQFU-NJDAHSKKSA-N 379.460 3.969 5 1 GHBF C[C@@H](Sc1ncccn1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586962640 UAASHUPUYIIITD-SSDOTTSWSA-N 380.227 3.877 5 1 GHBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Br 586978016 WULZZOBMIOSKHA-HWKANZROSA-N 375.182 3.808 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587749896 ZYVNEMBKJCELCF-ZKANADHPSA-N 396.216 3.524 5 1 GHBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccnc(Br)c1 587941340 SRTRSUWVLHGCBT-SNVBAGLBSA-N 384.230 3.770 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)c(F)c2[nH]1 587270855 SAMLLHXPBDZJDN-NSHDSACASA-N 379.189 3.615 5 1 GHBF Cc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)c1n[nH]c(=S)o1 98082246 XNZQXMZAIYRDNI-UHFFFAOYSA-N 376.397 3.679 5 1 GHBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587388392 ATVAWBNVJKBKKV-FQEVSTJZSA-N 393.399 3.991 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)ccnc2[nH]1 587265903 YGXGGEIGXAIUOE-VIFPVBQESA-N 390.783 3.871 5 1 GHBF CS(=O)(=O)Nc1ccc(-c2csc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 587923952 UTWWRCXDWVPNIN-UHFFFAOYSA-N 389.458 3.681 5 1 GHBF Cc1ccc(C(=O)Nc2cccc3cccc(S(=O)(=O)O)c23)cc1[N+](=O)[O-] 299839514 YLYCZFBFOSCDOG-UHFFFAOYSA-N 386.385 3.555 5 1 GHBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 169723620 BBKNEXLBDUPYET-NVXWUHKLSA-N 388.420 3.558 5 1 GHBF COc1ccc(Nc2cc(NC(=O)/C=C/c3ccccc3)ncn2)c([N+](=O)[O-])c1 1857770241 RRLDRAUANMACAH-JXMROGBWSA-N 391.387 3.789 5 1 GHBF C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccc(Cl)cc1)N1CCCCC1 73158422 TXMQKSRNNXQQRH-OAQYLSRUSA-N 379.952 3.823 5 1 GHBF Nc1cc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc([N+](=O)[O-])c1 653854615 VAXLJWORCLCZJS-UHFFFAOYSA-N 389.418 3.896 5 1 GHBF CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587013464 OTYSVNCPMJWFQT-UHFFFAOYSA-N 382.243 3.722 5 1 GHBF COc1c(CCC(C)(C)O)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12 222859580 JWYWPLOBJMBPAH-UHFFFAOYSA-N 384.384 3.816 5 1 GHBF O=C(O)c1cc(F)cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587108931 CUMVVXXWMQAOKN-UHFFFAOYSA-N 383.257 3.918 5 1 GHBF COCCOc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587264727 IRZKMOBLIHKYHP-UHFFFAOYSA-N 383.191 3.865 5 1 GHBF CC(C)Cc1c(C(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C 14944856 VVTIEIUQNXGQMH-ZCXUNETKSA-N 397.522 3.606 5 1 GHBF NC(=O)c1cc(N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262929 IUXDCVOLSFSGCW-UHFFFAOYSA-N 399.838 3.607 5 1 GHBF Cc1ccc(CNc2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)n1C 95575197 BJUXKUHRNBAMEL-UHFFFAOYSA-N 398.366 3.843 5 1 GHBF CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3n(C)c2c2cccnc12 96921554 QMVIVABTXCRGFV-UHFFFAOYSA-N 380.879 3.825 5 1 GHBF COCCNc1ccc(-c2nc3cccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587261811 JPQVKQSKABWBON-UHFFFAOYSA-N 391.225 3.959 5 1 GHBF C[C@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574366 FUXQWPXMQJBONG-WIYYLYMNSA-N 392.367 3.760 5 1 GHBF O=C(NC1CC1)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1 587644428 CIJCBDMZWGIFMP-UHFFFAOYSA-N 383.791 3.853 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc4nc5ccccc5nc34)c3cccc1c32 963031925 RWDJXEUADODDBQ-QKFKETGDSA-N 380.451 3.926 5 1 GHBF CN(C)CCOC(=O)CCCn1c2ccccc2c2nc3ccccc3nc21 1772583497 QNUFXQBZQXYCTB-UHFFFAOYSA-N 376.460 3.623 5 1 GHBF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@H](C)O)cc1[N+](=O)[O-] 71329978 DUYAJVCCDKKAPG-AAWHYMEISA-N 389.404 3.551 5 1 GHBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CO3)cc(OC[C@@H]3CO3)c12 45385074 BHVDSBABVCNPTK-CVEARBPZSA-N 390.391 3.655 5 1 GHBF COc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587388381 ANDYJRTVLVIHPM-HXUWFJFHSA-N 393.399 3.991 5 1 GHBF CCN1Cc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)[C@H](O)C1 72317689 VDFINHSTQIXJDD-GOSISDBHSA-N 397.471 3.896 5 1 GHBF COc1cc(OCc2nc3cc(Br)cc(F)c3[nH]2)ccc1[N+](=O)[O-] 587262912 HZNRETBUINBUFB-UHFFFAOYSA-N 396.172 3.960 5 1 GHBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(N)cc1)c1ccccc12 27870110 VYGRULTYRPYQST-UHFFFAOYSA-N 384.483 3.929 5 1 GHBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1nc2ccccc2s1 1911582538 PUQFTAOBWIPVAE-UHFFFAOYSA-N 390.380 3.981 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc([N+](=O)[O-])cc1 587576013 MEWULQDSPCHVDL-OALUTQOASA-N 377.352 3.873 5 1 GHBF C[C@@]1(c2ccncc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575093 IINNMYPXOLTTFD-XLIONFOSSA-N 378.340 3.572 5 1 GHBF COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2cccc([N+](=O)[O-])c12 587647956 VKSXVNIDLAKHCL-UHFFFAOYSA-N 377.356 3.591 5 1 GHBF COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(OC)c1O 587784499 ICJPKIAKZLWYMW-UHFFFAOYSA-N 394.181 3.623 5 1 GHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587266912 CLVFBAJUQLGYME-SSDOTTSWSA-N 390.272 3.634 5 1 GHBF COc1ncccc1NC(=O)c1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1 1857572204 SLYJFZIBGYOUNV-UHFFFAOYSA-N 396.428 3.984 5 1 GHBF COc1cc(S(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccccc12 1857620991 NHUIFDIHYWSPOK-UHFFFAOYSA-N 378.453 3.966 5 1 GHBF Cc1ccc(CNC(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)cc1 2965687 BIBCMHZBCTYPND-UHFFFAOYSA-N 377.831 3.740 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1[C@H](O)CCN1C3 95552485 SEZONGIKROPSNH-LEWJYISDSA-N 379.456 3.510 5 1 GHBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc([N+](=O)[O-])cc1 2356864152 LGDNLXVIIWCXIF-UHFFFAOYSA-N 378.364 3.846 5 1 GHBF Cc1nc([N+](=O)[O-])cn1CCCNC(=O)c1sc2ccccc2c1Cl 299837953 PSWCJDDYLCVRKC-UHFFFAOYSA-N 378.841 3.788 5 1 GHBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)OCc1ccccc1 587647475 YXCIERCWXKUPAC-UHFFFAOYSA-N 397.387 3.930 5 1 GHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cnc2[nH]1 587053374 DKRNGXQDCHMERO-AWEZNQCLSA-N 391.790 3.786 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2[N+](=O)[O-])N1 587747810 QFRAAGBIEOLSTC-ZKANADHPSA-N 381.201 3.826 5 1 GHBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 101077934 ULSVQRMDLUIMAZ-FGZHOGPDSA-O 376.524 3.725 5 1 GHBF Nc1ccc2c(c1)oc1c(NC3CCCC3)c(F)cc3c(=O)c(C(=O)O)cn2c13 1772650172 UIAYUUBKDCUHJU-UHFFFAOYSA-N 395.390 3.973 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264745 SLNFTBRBUPLAFZ-HRDYMLBCSA-N 389.761 3.896 5 1 GHBF O=C1CCC(=O)N1c1ccc(N2CC=C(c3ccccc3)CC2)c([N+](=O)[O-])c1 4684448 UIHAHNOVEOMJLW-UHFFFAOYSA-N 377.400 3.542 5 1 GHBF O=C(O)[C@@H]1CC[C@H](C[C@@]2(c3ccccc3[N+](=O)[O-])NCCc3ccc(O)cc32)C1 963340045 FJSGYHWHMOGJGX-PGKMIFDNSA-N 396.443 3.581 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1Br)O2 587376013 GOZZEXIQGYIFBC-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccc([N+](=O)[O-])o3)c(Cl)c2)S1 96282288 YYPRSMPINYXMGS-JYRVWZFOSA-N 394.792 3.787 5 1 GHBF Cc1ccc(NC(=S)Nn2c(-c3ccc([N+](=O)[O-])cc3)cnc2S)cc1 98082214 XWVYSLPZNFISSJ-UHFFFAOYSA-N 385.474 3.996 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OC(C)C)cc2[nH]1 587117979 MPUOCQISFVAYBV-UHFFFAOYSA-N 383.330 3.830 5 1 GHBF CC(C)(O)CCc1ccc(O)c2c(=O)c3cc4c(cc3oc12)O[C@H]1OC=C[C@H]41 2356685691 AQCBXNBFMWPAAG-XUSGNXJCSA-N 380.396 3.701 5 1 GHBF C[C@]1(c2cccc(C(F)(F)F)c2[N+](=O)[O-])N[C@H](C(=O)O)Cc2cc(F)ccc21 962901821 SHIRVGBBZKGTDG-YOEHRIQHSA-N 398.312 3.615 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587419877 UQOPZXFBPSJRSP-GUYCJALGSA-N 390.189 3.855 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[N+](=O)[O-])c1ccccc1 587577973 VESDYMBIPYJWPC-RXVVDRJESA-N 377.352 3.526 5 1 GHBF C[C@]1(c2cccc([N+](=O)[O-])c2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962760473 FEQSLLFMYWUFAF-GUYCJALGSA-N 382.313 3.643 5 1 GHBF CC[C@H]1C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 253782632 PGKZPKIXLHMKOH-PIDNANAHSA-N 383.512 3.961 5 1 GHBF C[C@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2ccccc2c1 13828833 NBYDTKHBOBSXNW-BFUOFWGJSA-N 396.424 3.656 5 1 GHBF O=[N+]([O-])c1ccc(-c2c3c(nc4nc(N5CCOCC5)sc24)CCCC3)cc1 1857608199 NUIORSKNIYWJSR-UHFFFAOYSA-N 396.472 3.982 5 1 GHBF O=[N+]([O-])c1ccc(C2=Cc3n[nH]c(O)c3[C@H](c3ccc4c(c3)OCO4)C2)cc1 103182729 CLWYRSNXEKTLRI-HNNXBMFYSA-N 377.356 3.828 5 1 GHBF Cc1cc(N(C)Cc2nc3cc(Br)cnc3[nH]2)c([N+](=O)[O-])cc1F 587137338 VLFIDZYENGLRBB-UHFFFAOYSA-N 394.204 3.713 5 1 GHBF O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586882364 PANZDGABSJJXCY-WAYWQWQTSA-N 388.177 3.998 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587262027 LFBZBKZAAIFSSI-UHFFFAOYSA-N 376.756 3.963 5 1 GHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c[nH]c2ccc(OC)c([N+](=O)[O-])c12 963632098 FRPAVUWBPCDBHJ-BIBXISHDSA-N 397.431 3.726 5 1 GHBF O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)c(O)c([N+](=O)[O-])c1 29561275 XRQAMQGBTZBNHX-UHFFFAOYSA-N 396.146 3.968 5 1 GHBF CCCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149282 TZVZPCSUCVPJOM-UHFFFAOYSA-N 383.452 3.890 5 1 GHBF O=C(NC1CC1)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644422 CBWYRHBNHZIXQM-UHFFFAOYSA-N 383.791 3.858 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)S(=O)(=O)c1ccccc1 28712329 YRTABAIHXKKSSF-HXUWFJFHSA-N 395.436 3.863 5 1 GHBF CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136087 LDCGYGYYKLQRKG-HUUCEWRRSA-N 397.479 3.626 5 1 GHBF C[C@]1(c2ccncc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575090 IINNMYPXOLTTFD-FXAWDEMLSA-N 378.340 3.572 5 1 GHBF CCCCCCNC[C@@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 96933359 PIAWKPIHZRUTLC-OAHLLOKOSA-N 385.460 3.561 5 1 GHBF C[C@@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772579301 KZFRULYIWSGDHV-AWEZNQCLSA-N 389.355 3.771 5 1 GHBF COc1ccc(OC)c(/C=C/C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)O2)c1 103197377 KTQSVVZKFGLRLY-HSSRVXSRSA-N 397.387 3.516 5 1 GHBF CCN(CC)CCn1[nH]c2c3cc4c(cc3nc3c([N+](=O)[O-])ccc1c32)OCO4 27551555 NBEIYFCCYWAXJY-UHFFFAOYSA-N 395.419 3.650 5 1 GHBF O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 31622412 KUZIGUJCUPMCRL-UHFFFAOYSA-N 387.743 3.829 5 1 GHBF O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)Oc2c1ccc1c2CCCC1 587511357 GHQUWGRDGMUSHL-GOSISDBHSA-N 381.384 3.951 5 1 GHBF CS(=O)(=O)c1ccc(-c2cc(/C=C/C[N+](=O)[O-])nn2C2CCCCC2)cc1 26275159 AUHBDNGUNBYDPI-AATRIKPKSA-N 389.477 3.749 5 1 GHBF CC[C@@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149594 BGCUGGXDRRFEML-CYBMUJFWSA-N 383.452 3.935 5 1 GHBF COc1ccc2c(c1)nc1c3ccc(OC)cc3c(=O)cc-1n2CCCN(C)C 299866925 WZHISBYSXGRJJX-UHFFFAOYSA-N 391.471 3.623 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1O 587578245 VOGYMDBIXIJDCB-YLJYHZDGSA-N 379.324 3.709 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3cccc(Br)c3[nH]2)nn1CC(F)(F)F 587091290 DBWYFAUDHQFGES-UHFFFAOYSA-N 390.119 3.659 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 587578682 WRXYCKXUYXJWQJ-YLJYHZDGSA-N 379.324 3.709 5 1 GHBF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434771 ZMVAIBMBLWBFCY-HLBDPABLSA-N 394.427 3.630 5 1 GHBF CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc23)CC1 13523679 JAYOKUDGYAUIEC-UHFFFAOYSA-N 379.420 3.533 5 1 GHBF CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(-c2ccc([N+](=O)[O-])cc2)c1 1857768873 BUXNIXGFFAASDO-SFHVURJKSA-N 397.456 3.618 5 1 GHBF C[N+]1(C)[C@H]2CC[C@@H]1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 34802127 ULSVQRMDLUIMAZ-FRIKZZABSA-O 376.524 3.725 5 1 GHBF O=C1COc2cc3nc(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)[nH]c3cc2N1 587264134 CBIBUYSDVFRVBZ-UHFFFAOYSA-N 376.328 3.729 5 1 GHBF FC(F)c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cnc2ncnn12 587128886 SDCWQBVSUUNBCC-UHFFFAOYSA-N 388.341 3.702 5 1 GHBF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 13726818 UJPHXNFMWVCEBX-MRPLLJTBSA-N 393.421 3.660 5 1 GHBF CCCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73196309 LSUITYHXXLCUTJ-KRWDZBQOSA-N 375.406 3.684 5 1 GHBF COC1=C[C@@H]2C=Cc3c(CC[N+](C)(C)[O-])cc(OC)c(OC)c3[C@H]2C=C1OC 40864994 SYSITYAUYXVPFI-YOEHRIQHSA-N 387.476 3.621 5 1 GHBF O=C(O)c1cc(Cl)cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476378 JZKYNJHOEKPBNH-UHFFFAOYSA-N 396.742 3.900 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587747851 QKVZDPDPMDKKEW-ZKANADHPSA-N 380.217 3.702 5 1 GHBF Cc1cc(N(C)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F 587137155 QLFPYQGBCNNVLT-UHFFFAOYSA-N 398.373 3.880 5 1 GHBF COc1cc2c(cc1OC)[C@@](C)(CC(=O)c1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C2 962643410 WYINPOIFIMBANE-RCDICMHDSA-N 398.459 3.977 5 1 GHBF CC(=O)C[C@H](O)C[C@H](O)C=CC=CC=CC=CC=CC=CC=C[C@@H](C)[C@@H](C)O 2356698250 OIWOVMZWYLGFJQ-BUZMGHMJSA-N 386.532 3.988 5 1 GHBF O=[N+]([O-])c1cccc(CN[C@H]2CCCC[C@@H]2NCc2cccc([N+](=O)[O-])c2)c1 66080345 GCIKAONTUQAVCN-PMACEKPBSA-N 384.436 3.694 5 1 GHBF Cc1nn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)c1[N+](=O)[O-] 587623156 MMGFFVVMEXUUEC-UHFFFAOYSA-N 389.213 3.826 5 1 GHBF Cc1nc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2cc1Br 587159196 MHYAVKSIFBTSGO-UHFFFAOYSA-N 381.161 3.655 5 1 GHBF N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587157037 RAQNCFJINOITLJ-JDNHERCYSA-N 391.200 3.714 5 1 GHBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586969100 NFMDDJIXHWWGQM-UHFFFAOYSA-N 378.845 3.694 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 13473028 YZVGPAQVKBSMLI-IBGZPJMESA-N 382.376 3.814 5 1 GHBF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 64637935 IRZAZQUNFAYEJN-QGZVFWFLSA-N 383.404 3.900 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)c(O)c4c2c1)CN1CCC[C@@H]1[C@H]3O 14824841 UFVLDMKDEPPHDO-DYESRHJHSA-N 395.455 3.736 5 1 GHBF biogenic O=[N+]([O-])c1cc(/C=C/c2nc3nc(Br)c[nH]c-3n2)ccc1Cl 587048634 XVWCIRHORZOPKP-DUXPYHPUSA-N 380.589 3.799 5 1 GHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cnc2[nH]1 587053375 DKRNGXQDCHMERO-CQSZACIVSA-N 391.790 3.786 5 1 GHBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 103277834 IARSBNOEPRXNFP-QGZVFWFLSA-N 395.304 3.702 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1 29340783 LEKPJUMQUPRAEL-IBGZPJMESA-N 382.376 3.814 5 1 GHBF CC[C@@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82149752 XDZFMZBIJHWWFS-CQSZACIVSA-N 385.468 3.672 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747356 NCYFXNKHMJBFLC-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2cc(N)ccc21 469740563 MCYOWADSTOXWPL-UHFFFAOYSA-N 392.484 3.518 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587270479 ZNUCDACTMGKDKC-UHFFFAOYSA-N 380.404 3.900 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1[N+](=O)[O-])CC2=O 587468853 DXTMYIAXVBZFCS-GOSISDBHSA-N 385.372 3.746 5 1 GHBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Cl 587049655 JYPHMDAXGSSRJL-QHHAFSJGSA-N 379.781 3.542 5 1 GHBF O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1O 95579194 BMGQFBABFVSNBK-UHFFFAOYSA-N 378.384 3.809 5 1 GHBF Cc1ccc(C)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587266746 NZRNUYUHLSHZKT-APPDUMDISA-N 385.380 3.530 5 1 GHBF C[C@@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O 1772580551 OOEYCYRNAHHRGX-VKGTZQKMSA-N 399.428 3.543 5 1 GHBF COCCNc1ccc(-c2nc3cc(OC)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587262525 VYUWMJKPSKPUBP-UHFFFAOYSA-N 376.800 3.858 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])c1 206700722 YAXALZOVHHMWHT-UHFFFAOYSA-N 377.154 3.733 5 1 GHBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4[nH]c13)C[C@H](C(C)(C)O)O2 13380770 OWZCKIOXGYFDRM-MRXNPFEDSA-N 395.455 3.676 5 1 GHBF biogenic CCOc1n[nH]c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1Cl 587065713 XWIXGNVIGAZMRX-UHFFFAOYSA-N 386.593 3.676 5 1 GHBF Cc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(nc3c(c1N)CCCC3)O2 1857752293 DWZFMMTZDGIUCK-INIZCTEOSA-N 377.404 3.768 5 1 GHBF Cc1cnc(-c2ccccc2)n1C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857765333 LXZRELCDKFRBEY-OAHLLOKOSA-N 380.404 3.522 5 1 GHBF O=C1Nc2ccccc2[C@]12ON=C(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 103236529 UKYNUQSFHGZBGP-DENIHFKCSA-N 385.379 3.961 5 1 GHBF CCOc1ccccc1[C@](N)(c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(F)(F)F 587091551 FWEBLSACVZIINM-INIZCTEOSA-N 398.316 3.774 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587748191 SPDSKSMYZGCYLL-VVVCHXIZSA-N 394.244 3.876 5 1 GHBF COc1ccc2c(c1OC)[C@@](C)(COc1ccccc1[N+](=O)[O-])N(C)[C@@H](C)C2 962638796 XNWTUWBSXBJCEQ-LHSJRXKWSA-N 386.448 3.783 5 1 GHBF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136085 LDCGYGYYKLQRKG-GJZGRUSLSA-N 397.479 3.626 5 1 GHBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1S(=O)(=O)c1ccccc1 653697143 XPLUFMBCUSCBDQ-UHFFFAOYSA-N 386.216 3.797 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)OC)c1[N+](=O)[O-])CC2=O 587472924 ONCBVSIYVLHHIX-QGZVFWFLSA-N 385.372 3.746 5 1 GHBF Cc1ccc2c(=O)c3c(oc2c1)N1C[C@@H]2CCC[N@@+]4([O-])CCC[C@@H]([C@H]24)[C@H]1CC3 1857614868 LFXVPQCJXMEBKO-XNSGTWIFSA-N 380.488 3.739 5 1 GHBF O=c1c2c3c(sc2nc2sc(-c4ccc([N+](=O)[O-])cc4)nn12)CCCC3 28814844 MFCZSRRTGVXQAX-UHFFFAOYSA-N 384.442 3.820 5 1 GHBF O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nnc(-c2ccncc2)s1 96284266 JPHGPQCCVGFNHJ-UHFFFAOYSA-N 376.785 3.806 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587059758 VEFJLJFCCKEXJB-ZDUSSCGKSA-N 382.601 3.969 5 1 GHBF CC(C)(C)Oc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(N)cc1F 587136583 SEJHBEVBHOBAHM-UHFFFAOYSA-N 389.343 3.945 5 1 GHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(Cl)c2[nH]1 587277592 YYDOGACEQZPUNS-SSDOTTSWSA-N 384.621 3.887 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 13473029 YZVGPAQVKBSMLI-LJQANCHMSA-N 382.376 3.814 5 1 GHBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 169723628 BBKNEXLBDUPYET-WBVHZDCISA-N 388.420 3.558 5 1 GHBF O=c1nc(N2CCC3(CC2)CC3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857576434 MHHVTCDCADBEER-UHFFFAOYSA-N 385.367 3.964 5 1 GHBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929583 NIQXWMCAMSFQFU-PCCBWWKXSA-N 379.460 3.969 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C[N+](=O)[O-] 587575086 IHVUUYFEUGPBTJ-KNQAVFIVSA-N 391.379 3.612 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 587264548 NMTBIMPJBKZOGM-UHFFFAOYSA-N 377.700 3.532 5 1 GHBF CCCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1O 587434695 YPEAGQJDEFPZMK-ZUOKHONESA-N 385.372 3.587 5 1 GHBF CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2CCCC(=O)O 169327732 PALNXIQCTXKFCS-UHFFFAOYSA-N 380.444 3.502 5 1 GHBF COc1cc(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)c2)cc(OC)c1OC 299830863 YITDFDUQYQMJDJ-UHFFFAOYSA-N 382.372 3.642 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587266242 ZGYQUBPMEZUFOR-DVVUODLYSA-N 387.383 3.835 5 1 GHBF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586909307 YBNPUUQEFGFKJM-QMMMGPOBSA-N 390.193 3.814 5 1 GHBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586961067 FKFPAHKCVJFHIC-VIFPVBQESA-N 389.444 3.590 5 1 GHBF Cc1cc2c(cc1F)[C@H](c1cccc(OCn3ccc([N+](=O)[O-])n3)c1)NCC2 962380432 WUFKIYOJVYTGMD-FQEVSTJZSA-N 382.395 3.510 5 1 GHBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@]1(C)CO1)O2 40423817 IGUXYWPFYUITQD-YKSBVNFPSA-N 387.435 3.946 5 1 GHBF O=C(O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587511047 MWJHZEHHPCFDBS-IBGZPJMESA-N 397.383 3.644 5 1 GHBF Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cccc1[N+](=O)[O-] 587273659 NFTSYVLRKOERBH-UHFFFAOYSA-N 391.177 3.530 5 1 GHBF CC(=O)O[C@H]1C[N+]2(COC(=O)[C@H](c3ccccc3)C3CCCC3)CCC1CC2 27526587 GCUSKIYKUNJONT-JSXGBRPTSA-N 386.512 3.633 5 1 GHBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CO3)cc(OC[C@H]3CO3)c12 45374416 RNIFFKWXTVVICH-IAGOWNOFSA-N 390.391 3.655 5 1 GHBF O=C(Nc1ccc([N+](=O)[O-])cc1)C(Br)(C(F)(F)F)C(F)(F)F 68574001 ZPCJKWPUGMUFEA-UHFFFAOYSA-N 395.053 3.792 5 1 GHBF biogenic COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(Cl)n1 587087449 QVAWMAWKXWHNOF-UHFFFAOYSA-N 383.589 3.958 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587268414 WRQOVFFWORYVDT-UHFFFAOYSA-N 391.435 3.671 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)O2 587388944 HXNSVGUINNFRSF-JOCHJYFZSA-N 389.411 3.977 5 1 GHBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCc2ccc([N+](=O)[O-])cc2CC1 963632065 FHFZRWYKXXPZPC-RCDICMHDSA-N 382.460 3.921 5 1 GHBF Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576517 OXTIMIJSIRVROK-FXAWDEMLSA-N 378.340 3.586 5 1 GHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 587263474 AADCQZAHVAULIA-GLEZIHRCSA-N 391.771 3.567 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)CC2=O 587470568 LIWMNGSFJZWUEI-QGZVFWFLSA-N 385.372 3.731 5 1 GHBF Cc1cc2c(cc1O)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N[C@H](C(=O)O)C2 963556601 XOXVBMHAVPZWDX-JXFKEZNVSA-N 394.383 3.557 5 1 GHBF O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)cc2c1Nc1ccccc1O2 103299701 DYDVSTOMINSAHA-UHFFFAOYSA-N 387.373 3.516 5 1 GHBF Cc1ccccc1CN1CCCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 200051885 JUPBOJQIJMKSKX-IBGZPJMESA-N 396.447 3.606 5 3 GHBF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1 587013873 CGTBSWLUBYTJAI-UHFFFAOYSA-N 393.400 3.758 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747202 NBDIQRLUVZLYIB-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF C[C@]1(c2cccc(O)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579403 ZMMOYPQXYAMDCX-LAUBAEHRSA-N 393.351 3.883 5 1 GHBF CCOC(=O)[C@H]1C(CCc2ccccc2)=NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 169693308 XENKLCBIKZAIEL-OALUTQOASA-N 395.415 3.612 5 1 GHBF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 73311882 BPXAHEXCYJCHKW-SFHVURJKSA-N 387.436 3.736 5 1 GHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)nn2)c1 587268980 FVCXERPXHLLVMM-UHFFFAOYSA-N 390.281 3.617 5 1 GHBF Nc1c(Br)cccc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O 587934856 JMYVAZCCCKLGBI-UHFFFAOYSA-N 390.193 3.808 5 1 GHBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O 587472721 LOANMBPVUUQLHJ-HXUWFJFHSA-N 387.388 3.848 5 1 GHBF Cc1onc(-c2nc3c(Cl)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080166 SAYJIORGGYWWAN-UHFFFAOYSA-N 393.190 3.986 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)nc3[nH]2)c1 587269879 SNEPYDBWUXUEHT-UHFFFAOYSA-N 388.225 3.896 5 1 GHBF Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962906837 RFXUETLOMFWONM-FXAWDEMLSA-N 395.390 3.521 5 1 GHBF COc1cc2c(NCCN(C)C)nc3c4ccncc4ccc3c2cc1OC 71294609 NYCRQFIGFJGQTF-UHFFFAOYSA-N 376.460 3.927 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2[N+](=O)[O-])N1 587746346 JPPCDDYPUANDCN-FVMDXXJSSA-N 380.217 3.689 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747204 NBDIQRLUVZLYIB-ZKANADHPSA-N 381.201 3.826 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(F)cnc(Br)c3[nH]2)c1 587262855 ZCQVEVYAOMAXRF-UHFFFAOYSA-N 395.188 3.698 5 1 GHBF COc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1 587148839 LOXUQYQVKORBNO-UHFFFAOYSA-N 380.173 3.972 5 1 GHBF Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)NC2=O 1857633093 GLEYLTJRFCDWQC-KRWDZBQOSA-N 383.795 3.801 5 1 GHBF COCC[N@+]1(C)CCC[C@@H](C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 253681443 AUIUWDZZXQWWOQ-IVZQSRNASA-N 392.541 3.994 5 1 GHBF O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661465 OXZGLUIAKUNHKM-UHFFFAOYSA-N 389.342 3.799 5 1 GHBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587269562 FWMIVPWKYYABPM-UHFFFAOYSA-N 391.181 3.927 5 1 GHBF C[C@]1(c2cccc([N+](=O)[O-])c2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962760472 FEQSLLFMYWUFAF-DYVFJYSZSA-N 382.313 3.643 5 1 GHBF COCCNc1nn2c(=O)c3c4c(sc3nc2c2ccccc12)CCCCC4 5127205 JODJDHGEAXZXIF-UHFFFAOYSA-N 394.500 3.785 5 1 GHBF CNS(=O)(=O)c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n(C)c1 586947521 QQDYAJAOXGDMAT-UHFFFAOYSA-N 390.468 3.783 5 1 GHBF COC(=O)Cc1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587783271 LNMOPSGAVMBTOE-UHFFFAOYSA-N 390.193 3.616 5 1 GHBF CCN(CC)CCn1[nH]c2c3cc(N(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32 27102430 VIBJTZTXFAQGEY-UHFFFAOYSA-N 394.479 3.987 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587184701 UODMBLOBENTKBB-SNAWJCMRSA-N 392.156 3.641 5 1 GHBF COc1ccc(/C=C(/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)O)cc1[N+](=O)[O-] 71329979 DUYAJVCCDKKAPG-AZZDOICSSA-N 389.404 3.551 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587747117 MAWPFXMFBNDWAD-HUTHGQBESA-N 393.212 3.933 5 1 GHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc([N+](=O)[O-])cc1C 587868725 QHPFIAUBGSPKRU-UHFFFAOYSA-N 379.298 3.573 5 1 GHBF CN(Cc1c2ccccc2cc2ccccc12)c1cnc2nc(N)nc(N)c2n1 29224983 FCYIVKJVZGBLFN-UHFFFAOYSA-N 381.443 3.527 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnc3ccccc3c2[nH]1 587117091 GXRZQSLCNIGKFI-UHFFFAOYSA-N 376.298 3.591 5 1 GHBF COc1cc(NS(C)(=O)=O)ccc1Nc1cc2ncncc2c2ccccc12 66098241 QFMOETMHHVUALR-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF CC(C)=CCc1cc(=O)cc2n(CC=C(C)CO)c3cccc(C(=O)O)c3nc1-2 2356715806 SBNSIPRBVZPJSK-UHFFFAOYSA-N 392.455 3.647 5 1 GHBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2ccc(F)c(Cl)c12 587631142 HQYCZWMANIAJAT-UHFFFAOYSA-N 376.727 3.891 5 1 GHBF Cc1cc(N(C)Cc2nc3cncc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587137008 OLQBBASHHXUJBN-UHFFFAOYSA-N 394.204 3.713 5 1 GHBF COc1ccc2[nH]c3c(C)c4ccnc(C(=O)NCCCN(C)C)c4cc3c2c1 26495380 DCZVAKPSSCECQH-UHFFFAOYSA-N 390.487 3.868 5 1 GHBF O=[N+]([O-])c1ccc([C@H]2NC(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4CCC[C@H]23)cc1 195514894 VUXCFQZRWRCNSK-NXHRZFHOSA-N 398.444 3.716 5 1 GHBF CC(=O)c1ccc(-c2ccccc2CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 45283614 MJPIIEZQKHVAPP-SFHVURJKSA-N 393.399 3.639 5 1 GHBF Cc1c(Br)cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1C 587259408 DTSXXYFKEUQRPD-KPXOXKRLSA-N 394.269 3.603 5 1 GHBF COc1cc(CC[N+](C)(C)C)c2ccc3cc4c(c5c(=O)oc1c2c35)OCO4 14765611 CLRAWTBIUBZTKD-UHFFFAOYSA-N 380.420 3.523 5 1 GHBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587270338 MHYSSZKLIRZBCJ-UHFFFAOYSA-N 391.181 3.927 5 1 GHBF Cc1nccc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587054816 MAZHKBGCRVFUFW-OAHLLOKOSA-N 387.827 3.955 5 1 GHBF CCc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1CC(=O)O 1857632839 LIGDRGAABGYETQ-UHFFFAOYSA-N 393.830 3.912 5 1 GHBF COC(=O)c1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2C 2473943 PYYNKZRQHIFQDJ-NRFANRHFSA-N 380.400 3.911 5 1 GHBF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587198637 OEDJQYZPQGVRKX-UHFFFAOYSA-N 387.399 3.997 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@H](c3cccc4nc5ccccc5nc34)c3cccc1c32 963031919 RWDJXEUADODDBQ-FATZIPQQSA-N 380.451 3.926 5 1 GHBF COc1cc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)cc([N+](=O)[O-])c1OC 26667425 FJQKMGHUJOXHIL-QGZVFWFLSA-N 381.432 3.831 5 1 GHBF CNC(=O)c1cc2c3cc4c(cc3ncc2c2cc(OC)c(OC)cc12)OCO4 40953572 XNIXCXXIHAGFPF-UHFFFAOYSA-N 390.395 3.647 5 1 GHBF COc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1C 586924528 BEDVQDHMFXKFHL-UHFFFAOYSA-N 395.824 3.512 5 1 GHBF Nc1c(Cl)cc(C2=C3c4ccc([N+](=O)[O-])cc4[N+](=O)N3CCN2)cc1Cl 169689641 GODCXQQUGBYUOH-UHFFFAOYSA-N 393.210 3.554 5 1 GHBF CCOC(=O)[C@@H]1C(CCc2ccccc2)=NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 169693307 XENKLCBIKZAIEL-MOPGFXCFSA-N 395.415 3.612 5 1 GHBF COP(=O)(OC)[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 103277832 IARSBNOEPRXNFP-KRWDZBQOSA-N 395.304 3.702 5 1 GHBF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccncc12 26837931 FZBHSGGJUMGFSU-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF Cc1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2cc1[N+](=O)[O-] 587145469 ZDNGQGKVPCKRIN-GFCCVEGCSA-N 393.216 3.924 5 1 GHBF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])NCC2 962935450 ZPDDUQLABHPIDY-KRWDZBQOSA-N 393.365 3.551 5 1 GHBF O=C(Nc1cccc(-c2ccc(F)cc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73198991 XZBFVMWNVVPMAF-INIZCTEOSA-N 398.350 3.607 5 1 GHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587272801 ALYDQQYIRMEPGY-CYBMUJFWSA-N 375.388 3.702 5 1 GHBF CC(=O)O[C@@H]1C[N+]2(COC(=O)[C@H](c3ccccc3)C3CCCC3)CCC1CC2 27526585 GCUSKIYKUNJONT-HPQVKGSHSA-N 386.512 3.633 5 1 GHBF O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[C@H]2NCc2cccc([N+](=O)[O-])c2)c1 66080347 GCIKAONTUQAVCN-WOJBJXKFSA-N 384.436 3.694 5 1 GHBF COc1cc2c(c3[nH]c4ccc5ccccc5c4c(=O)c13)C(=O)[C@H](O)C(C)(C)O2 35878481 KRPPMGZDURCRKZ-QFIPXVFZSA-N 389.407 3.558 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587262718 HNEJPUYWMQSFEH-SNVBAGLBSA-N 399.359 3.521 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587267951 JVZDGQZVJKSINP-UHFFFAOYSA-N 387.403 3.936 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586977563 XZEAFXLBSCWRHL-UHFFFAOYSA-N 383.589 3.861 5 1 GHBF C[C@H]1COC2(CCC(C(=O)Nc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)O1 169350164 DGNJSGQQSQYSQH-SGWRBKMISA-N 388.342 3.874 5 1 GHBF C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574733 GZFYEXJKNHBTMM-GHTZIAJQSA-N 393.351 3.883 5 1 GHBF NC1CCN(Cc2c(-c3ccc(Cl)nc3)[nH]c3cc([N+](=O)[O-])ccc23)CC1 587645613 ZRAVGAQCGTWZIR-UHFFFAOYSA-N 385.855 3.715 5 1 GHBF Cc1csc([C@](O)(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C(F)(F)F)n1 587094303 PBTMPAINEYADQN-CQSZACIVSA-N 386.355 3.537 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261580 CLXLYZBVTXLYPW-DJIMGWMZSA-N 393.443 3.802 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587749894 ZYVNEMBKJCELCF-VPTHRUTESA-N 396.216 3.524 5 1 GHBF O=C1C(c2c(O)[nH]c3cc(Br)c([N+](=O)[O-])cc23)=Nc2ccccc21 13559474 FIQAVSYFYGVUJT-UHFFFAOYSA-N 386.161 3.861 5 1 GHBF CCc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587263208 OTAMFIOFTRAFPJ-UHFFFAOYSA-N 393.447 3.516 5 1 GHBF Cc1cc(C)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587265511 FWJAVZAUECGXSD-DIFFPNOSSA-N 385.380 3.530 5 1 GHBF CC(C)=CCc1cc(=O)cc2n(C/C=C(\C)CO)c3cccc(C(=O)O)c3nc1-2 1772655303 SBNSIPRBVZPJSK-OQLLNIDSSA-N 392.455 3.647 5 1 GHBF O=C(Nc1nc2cc(F)ccc2n1[C@H]1CC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 653747931 DQEONMVYEBMSJA-WFASDCNBSA-N 398.394 3.669 5 1 GHBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962628204 HAGMSPXDJASDHA-YEJXKQKISA-N 386.448 3.977 5 1 GHBF O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)cc2c1Nc1ccccc1O2 103299716 SKRSERYYBAQNQS-UHFFFAOYSA-N 375.406 3.619 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1Cl 28008754 RQYSGUYUCLVEKR-NWCRWOLESA-N 380.784 3.669 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 587578698 WVWUHAKNVNHWRS-YLJYHZDGSA-N 379.324 3.709 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc([N+](=O)[O-])c1)O2 587375959 GBXPHITWSZOXIC-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF CS(=O)(=O)c1ccc(-c2cc(/C=C/CC[N+](=O)[O-])nn2-c2ccccc2)cc1 26287702 PYTPSXLKDYVEBZ-FNORWQNLSA-N 397.456 3.623 5 1 GHBF O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(NCc2ccc(F)cc2)CC1 43061346 WHSMCLWZOCLJKB-JXMROGBWSA-N 383.423 3.528 5 1 GHBF CCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82134321 DBKMAKNKVLSFQY-UHFFFAOYSA-N 385.468 3.674 5 1 GHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587268258 ZDAQPLXKCBWCNF-ZDUSSCGKSA-N 375.388 3.816 5 1 GHBF CS(=O)(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586950342 FRSUUTDLJIESMB-UHFFFAOYSA-N 389.440 3.698 5 1 GHBF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](C)C[C@H](OC(C)C)N1C 103216542 UKGJYRXXEHLFME-BBRMVZONSA-N 382.892 3.725 5 1 GHBF Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc(N)c1C(=O)OCC(C)C 473121139 FOQQPWBTGUNASM-UHFFFAOYSA-N 377.422 3.612 5 1 GHBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587274169 NSZMAAZLARPSEN-UHFFFAOYSA-N 375.694 3.576 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@]3(c4ccccc4-c4ccc([N+](=O)[O-])cc43)c3cccc1c32 963017268 CHWQKIVTQGRVBT-JBEBIEQOSA-N 397.434 3.920 5 1 GHBF Cc1cc2c(cc1F)[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)NCC2 962090211 HOZYVVVNMZWPHF-QGZVFWFLSA-N 385.424 3.547 5 1 GHBF O=[N+]([O-])C(Br)=Cc1cccc(C=C(Br)[N+](=O)[O-])c1 2356840091 AZJDGZSBEGMSHC-UHFFFAOYSA-N 377.976 3.627 5 1 GHBF O=[N+]([O-])c1ccc(CNc2nc(NCc3ccc(F)cc3)nc3[nH]cnc23)cc1 87722034 XFBWANZWECCYCF-UHFFFAOYSA-N 393.382 3.624 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)c(F)c3)cc1)C2 45317040 YOUDFZQEBQBCAQ-HNNXBMFYSA-N 387.342 3.714 5 1 GHBF Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1C 587267029 SLUSODJJZOHRKS-GTNSWQLSSA-N 385.380 3.530 5 1 GHBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586962326 QENSOECJAASEHF-SECBINFHSA-N 389.444 3.590 5 1 GHBF CC[C@@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135603 MWKURWNUQRTNIV-CQSZACIVSA-N 385.468 3.672 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749114 XBZILKNVYWDHAF-VVVCHXIZSA-N 394.244 3.876 5 1 GHBF O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586882363 PANZDGABSJJXCY-AATRIKPKSA-N 388.177 3.998 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1cccc([N+](=O)[O-])c1C2 587574946 HEOOVHQZLCLJLI-KNQAVFIVSA-N 389.363 3.800 5 1 GHBF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586906674 FSHHAJZAIXAYOH-QMMMGPOBSA-N 390.193 3.814 5 1 GHBF CN1C(=O)C[C@H]2CN[C@@]3(c4ccccc4-c4ccc([N+](=O)[O-])cc43)c3cccc1c32 963017254 CHWQKIVTQGRVBT-BSEYFRJRSA-N 397.434 3.920 5 1 GHBF Cc1oc2cc(OC[C@H](O)C[N+](C)(C)C(C)C)ccc2c(=O)c1-c1ccccc1 27102328 GVZQBPGDJWIFOU-LJQANCHMSA-N 396.507 3.993 5 1 GHBF O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4CCC[C@@H]32)cc1 195514892 VUXCFQZRWRCNSK-NJAFHUGGSA-N 398.444 3.716 5 1 GHBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586974075 UNHVIFCOMOUJPH-MRXNPFEDSA-N 388.424 3.721 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587747803 QEGMADUDTBKOTK-VVVCHXIZSA-N 394.244 3.876 5 1 GHBF C[C@@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574364 FUXQWPXMQJBONG-NQIIRXRSSA-N 392.367 3.760 5 1 GHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c(O)nc(=NCc3cccc(F)c3)oc12 1857546375 RNJBDKUWVYQNHO-UHFFFAOYSA-N 383.257 3.700 5 1 GHBF Cc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 653843489 GUFZPBNKJFWKMK-UHFFFAOYSA-N 388.855 3.561 5 1 GHBF Nc1ccc(C(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587251561 IVEZSQKPYABTFC-UHFFFAOYSA-N 389.209 3.631 5 1 GHBF COc1cc2c3c(c1)O[C@@](C)(Cc1c([N+](=O)[O-])ccc(F)c1F)[C@@H](C2)C3=O 587425589 FMTHWGRIRSNAAM-BUXKBTBVSA-N 375.327 3.630 5 1 GHBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2csc(-c3ccc([N+](=O)[O-])cc3)n2)N1 962920813 MEZRCIRSANAARP-YOEHRIQHSA-N 399.403 3.546 5 1 GHBF O=[N+]([O-])c1cc(Br)ccc1C[C@H](O)c1ccc(-n2cccn2)cc1 1857644468 QTGYRGYXQAEFML-KRWDZBQOSA-N 388.221 3.819 5 1 GHBF O=[N+]([O-])c1ccccc1NCn1nc(-c2ccc3c(c2)OCCO3)oc1=S 96935201 VNFUFOFPRTTYCQ-UHFFFAOYSA-N 386.389 3.622 5 1 GHBF O=c1nc2n(-c3ccc(Cl)cc3)c3cc(C(F)(F)F)ccc3cc-2c(=O)[nH]1 96286453 NYIFOXKMKUWWOA-UHFFFAOYSA-N 391.736 3.851 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c([N+](=O)[O-])c1 587264648 OXOBMVZNWCYWAU-UHFFFAOYSA-N 395.144 3.872 5 1 GHBF COc1ccc(C=O)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587786297 FUJXRNBBSSTSFV-UHFFFAOYSA-N 376.166 3.722 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749850 ZTCJDVPYECUCNZ-XLFHBGCDSA-N 394.244 3.876 5 1 GHBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Cl 587049650 JYPHMDAXGSSRJL-KXFIGUGUSA-N 379.781 3.542 5 1 GHBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CO3)cc(OC[C@@H]3CO3)c12 45374412 RNIFFKWXTVVICH-SJORKVTESA-N 390.391 3.655 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1O 587575695 KIQUNXQHBXIDIW-YLJYHZDGSA-N 379.324 3.709 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1Br)O2 587378539 VARCAWRKIWZYLG-AWEZNQCLSA-N 377.194 3.954 5 1 GHBF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2N1 587125244 RFBCQESYXXGKGQ-PWCHPLFNSA-N 384.293 3.781 5 1 GHBF COc1ccc(CC[N@@+]2(C)COc3cc4oc(=O)cc(C)c4cc3C2)cc1OC 256503026 JRZNIBFSAMOQTM-XMMPIXPASA-N 396.463 3.658 5 1 GHBF O=[N+]([O-])c1cn(C[C@H](O)c2ccc(Cl)cc2Cl)c(Br)n1 66076678 AFCBAEYVYZLCQC-VIFPVBQESA-N 381.013 3.594 5 1 GHBF COc1ccc2c(CN3CCC[C@@H](CN)C3)cc3cc4c(cc3c2c1)OCO4 43079924 AFSKFEIFCBGZOV-HNNXBMFYSA-N 378.472 3.901 5 1 GHBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3cccc(Cl)c3)cc12 653782704 BNIZIDOQRRXXPZ-UHFFFAOYSA-N 394.814 3.910 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cnc3[nH]2)c1 587270012 UYGADOOYTWTWTP-UHFFFAOYSA-N 388.225 3.896 5 1 GHBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973271 JTFSWHGDRQFOMR-KDOFPFPSSA-N 396.777 3.697 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 587263531 BPPBBNLLSBSCDU-UHFFFAOYSA-N 395.144 3.872 5 1 GHBF O=[N+]([O-])c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1F 587007862 TZXVXJVUCFRSGZ-UHFFFAOYSA-N 376.145 3.687 5 1 GHBF O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1CCNC3 14945560 JRQGLWAUSPBBHJ-UHFFFAOYSA-N 398.397 3.555 5 1 GHBF Cc1nnc(Sc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O)s1 96932737 CSGWAEGXOKOFRA-UHFFFAOYSA-N 388.430 3.864 5 1 GHBF O=C(NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587111579 LLECGJGLOWNSIK-UHFFFAOYSA-N 382.273 3.559 5 1 GHBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1cccc(Br)c1 72175591 FTDOPOVRDGPMBX-MLRMMBSGSA-N 394.225 3.507 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261523 CCNLHJAGFDDIRF-SZEHBUNVSA-N 389.761 3.896 5 1 GHBF Nc1ccc(-c2nc3cc(C4=N[C@H]5CCCC[C@@H]5N4)ccc3o2)cc1[N+](=O)[O-] 206821615 SKHFFKHGHYIJJF-GJZGRUSLSA-N 377.404 3.646 5 1 GHBF CCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134312 QBMOTDWYNDUHBR-UHFFFAOYSA-N 383.452 3.936 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1O 587579045 XXQVXZHWKGUCSW-JXFKEZNVSA-N 379.324 3.709 5 1 GHBF COc1cccc(N2C[C@H](C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC2=O)c1 587280331 UGAKFQZWMMOJHD-GFCCVEGCSA-N 380.356 3.585 5 1 GHBF Cc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073558 JTJKDORSSWUBMO-UHFFFAOYSA-N 386.774 3.879 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@H](O)CC3 42989638 JVKKDZFPMOKGLY-GFCCVEGCSA-N 395.418 3.551 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1O 587578242 VOGYMDBIXIJDCB-FXAWDEMLSA-N 379.324 3.709 5 1 GHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586915148 BFHLPJRWKQGHJL-BUXKBTBVSA-N 396.359 3.596 5 1 GHBF c1ccc2cc3c(NCCc4c[nH]cn4)nnc(NCCc4c[nH]cn4)c3cc2c1 29134251 VRUWAQGLQKNVQM-UHFFFAOYSA-N 398.474 3.538 5 1 GHBF CN1CCN(c2cnc3cccc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 71316619 WWJRLPXUJXVCEF-UHFFFAOYSA-N 377.448 3.507 5 1 GHBF Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccccc23)cc1[N+](=O)[O-] 299838287 UKKKYQXWHMRBNK-UHFFFAOYSA-N 386.385 3.555 5 1 GHBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586974071 UNHVIFCOMOUJPH-INIZCTEOSA-N 388.424 3.721 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc([N+](=O)[O-])c1O 587559396 WWJGPFFWWFAHFA-OXJNMPFZSA-N 397.314 3.848 5 1 GHBF O=c1c2cc(Cl)ccc2oc2cc(OCCCCO[N+](=O)[O-])cc(O)c12 1857745501 LLULIILWBXUOCK-UHFFFAOYSA-N 379.752 3.673 5 1 GHBF COc1cc(C[C@@H](O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OC 653717484 QITXVDXFKIOKRU-LJQANCHMSA-N 380.400 3.950 5 1 GHBF O=C(O)COc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513313 RLQGSJNFWSHSGF-LJQANCHMSA-N 397.383 3.644 5 1 GHBF C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575993 LWLUEJWOMPGZLX-RXVVDRJESA-N 392.367 3.760 5 1 GHBF COc1cc2c3c(c4ccc(OCCO)cc4c2cc1OC)CN1CCC[C@@H]1C3 103187323 KFMHDPQGPQMNJL-OAHLLOKOSA-N 393.483 3.902 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587263681 NOYQGYAWYAMTEN-SNVBAGLBSA-N 399.359 3.551 5 1 GHBF O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 587643722 IXBJXQSUYYHAIQ-UHFFFAOYSA-N 391.177 3.838 5 1 GHBF O=C1O/C(=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2ccccc21 586905840 DYFXZLALNRFORR-KPKJPENVSA-N 386.161 3.902 5 1 GHBF CCCCSC1=N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1 101616235 TZRKGAKLOSZQPB-MRXNPFEDSA-N 377.466 3.966 5 1 GHBF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 73296713 YGADTQBEFPETOB-GOSISDBHSA-N 387.436 3.736 5 1 GHBF CCn1c(=S)sc2c(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ncnc21 45319524 QEWRGYQCZMRGKX-UHFFFAOYSA-N 376.423 3.794 5 1 GHBF Cc1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1C 587080096 QYBOFFRZJOIDKQ-UHFFFAOYSA-N 386.799 3.950 5 1 GHBF Cc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1F 587269835 PQIZJLTVBGBSAL-UHFFFAOYSA-N 382.395 3.938 5 1 GHBF C[C@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574363 FUXQWPXMQJBONG-GHTZIAJQSA-N 392.367 3.760 5 1 GHBF CC(=O)Oc1cc2c3cc(OC(C)=O)c(=O)c4cccc(c5cccc(c1=O)c52)c43 13650836 IFTQYKVVRKVJRU-UHFFFAOYSA-N 398.370 3.746 5 1 GHBF CNC(=S)C1=CC(C(F)(F)F)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 26398604 YCENYDJESABRIW-UHFFFAOYSA-N 386.273 3.781 5 1 GHBF CCN(CC)CCn1c2ccccc2c(=NNC2=NCCS2)c2ccccc21 31430065 OFJBLFHGVVUQEU-UHFFFAOYSA-N 393.560 3.644 5 1 GHBF Cc1onc(-c2nc3c(F)c(F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587081034 ZQMVJYACBQZCJQ-UHFFFAOYSA-N 394.725 3.611 5 1 GHBF O=[N+]([O-])c1cncc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976866 QNVOQIDJSYZCOW-UHFFFAOYSA-N 383.589 3.861 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Br)[C@@H](C2)C3=O 587413015 LRXBGTAYYQQTLG-YVEFUNNKSA-N 390.189 3.855 5 1 GHBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962892732 DSJYNCUZSLZGFO-RDJZCZTQSA-N 376.409 3.534 5 1 GHBF O=[N+]([O-])c1cccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)c1 96935202 OLPVTBVHWVSCLX-UHFFFAOYSA-N 386.389 3.622 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747203 NBDIQRLUVZLYIB-VPTHRUTESA-N 381.201 3.826 5 1 GHBF O=[N+]([O-])c1cc(S(=O)(=O)C(Cl)(Cl)Br)ccc1Cl 213683348 PWMAVTQPVCHFKB-UHFFFAOYSA-N 383.434 3.506 5 1 GHBF COCC[N@+]1(C)CCC[C@H](C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 253681455 AUIUWDZZXQWWOQ-OYHNWAKOSA-N 392.541 3.994 5 1 GHBF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(c1ccc([N+](=O)[O-])cc1)CC2=O 587473460 VJYRHNDDJXQPEP-NRFANRHFSA-N 399.399 3.677 5 1 GHBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587245768 ZQMZQOLIMQUEBD-UHFFFAOYSA-N 377.360 3.611 5 1 GHBF COC(=O)c1cc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2cc1OC 587139863 QLEJROKRQHYBEF-UHFFFAOYSA-N 379.731 3.726 5 1 GHBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587203844 MSHIGOXVDJLGNP-SFHVURJKSA-N 388.471 3.948 5 1 GHBF CN1C(=O)C[C@H]2CN[C@@](C)(Cc3ccc(Cl)cc3[N+](=O)[O-])c3cccc1c32 963024801 LZRTZWLYOUBYIY-RBZFPXEDSA-N 385.851 3.759 5 1 GHBF Cc1ccn2cc(-c3ccc(I)c([N+](=O)[O-])c3)nc2c1 13233571 OPKLFNOMHSAKQQ-UHFFFAOYSA-N 379.157 3.823 5 1 GHBF biogenic CCN(CC)CCn1[nH]c2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c32 27101532 DFGSONFZYQYVRT-UHFFFAOYSA-N 381.436 3.929 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586917111 LGBPKCWNOOOGRX-LBPRGKRZSA-N 376.166 3.746 5 1 GHBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c[nH]c2ccc(OC)c([N+](=O)[O-])c12 963632100 FRPAVUWBPCDBHJ-PRWKNARSSA-N 397.431 3.726 5 1 GHBF CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149514 PDJQOQPYNZDDLN-UHFFFAOYSA-N 397.479 3.770 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CC(=O)CN1C3 95556408 RUJUHVSHJWULLG-CYBMUJFWSA-N 377.440 3.718 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccnc(Br)c3[nH]2)c1 587262428 SHTRBKBDSKUXNJ-UHFFFAOYSA-N 377.198 3.559 5 1 GHBF C/C=C1/C[N@@+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 1857607922 CNYOIGMTKAXVDP-CFRMLSLYSA-N 382.460 3.749 5 1 GHBF COc1cc(C(=O)OCC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc(OC)c1OC 689708 IIWNKXJTEFNJSN-WSJPMQGYSA-N 392.516 3.668 5 1 GHBF O=C(OCCO)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccccc12 1911583566 PDMMMKNIHKHUBA-UHFFFAOYSA-N 398.418 3.522 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2[N+](=O)[O-])N1 587749817 ZMFVZVDGDUAOMQ-FVMDXXJSSA-N 380.217 3.689 5 1 GHBF Cc1c([N+](=O)[O-])cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587875606 SLRFVFGYIILMAJ-UHFFFAOYSA-N 384.279 3.608 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)c(O)c4c2c1)CN1CCC[C@@H]1[C@@H]3O 14824839 UFVLDMKDEPPHDO-UTKZUKDTSA-N 395.455 3.736 5 1 GHBF biogenic COc1cc(C)nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc12 45168948 VUQYXWKBEMZLDK-UHFFFAOYSA-N 382.332 3.621 5 1 GHBF O=C(Nc1ccc(-c2ccc(F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82160896 LCRNPQTYSMXYBX-INIZCTEOSA-N 398.350 3.607 5 1 GHBF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccc1[N+](=O)[O-] 587631452 MQSCOCQBDXDUCP-UHFFFAOYSA-N 376.727 3.886 5 1 GHBF CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)c2ccsc2CCN1Cc1cccnc1 962997729 SXWUPUTZPAQYTQ-NRFANRHFSA-N 393.468 3.942 5 1 GHBF COc1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 1772640671 SBMRTHXADKAXPQ-UHFFFAOYSA-N 388.361 3.854 5 1 GHBF O=c1ccc2nccc3c4cc(Oc5cn(Cc6ccccc6)nn5)ccc4n1c23 1857650616 FWGGTWGWZQYBRC-UHFFFAOYSA-N 393.406 3.871 5 1 GHBF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3[N+](=O)[O-])ccc12 96905456 BRYAEZJOXHQZAU-LJQANCHMSA-N 381.413 3.523 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587744154 CKPAOJOZEBOLFO-VXJOIVPMSA-N 396.216 3.524 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1Br)[C@@H](C2)C3=O 587414045 RFLSPTWNNVGACD-SJCJKPOMSA-N 390.189 3.855 5 1 GHBF Cc1c(Br)cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1C 587267694 DEHKKXRWYBKCLM-UHFFFAOYSA-N 376.214 3.858 5 1 GHBF COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)ccc1n3CCN(C)C 43018337 AJFHVJDEJAABHB-UHFFFAOYSA-N 382.485 3.948 5 1 GHBF COc1ccc2c(C)c(CCc3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)oc2c1C 586918849 RCQWFUZRQGHDRV-UHFFFAOYSA-N 393.399 3.988 5 1 GHBF Cc1ccnc(NC(=O)c2cnc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)c1 299858403 RGAISWBJCAGOMJ-UHFFFAOYSA-N 389.415 3.508 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc3c1OCOC3)CC2=O 587469861 HKRXQCZQKHZYNT-GOSISDBHSA-N 385.372 3.826 5 1 GHBF Cc1cc(N(C)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c([N+](=O)[O-])cc1F 587137134 PJLUOTUSIQBHAX-UHFFFAOYSA-N 377.307 3.602 5 1 GHBF CCOc1ccccc1[C@](N)(c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(F)(F)F 587093646 WYAVYPSWQDPFTJ-KRWDZBQOSA-N 394.353 3.943 5 1 GHBF CN(CCCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccccc1 13738605 NMLQTPTVAXQFPQ-UHFFFAOYSA-N 395.459 3.883 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C)CCN1C3 72112781 OUJVDVPAHVAOMW-HNNXBMFYSA-N 392.499 3.691 5 1 GHBF CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cs1 587014822 ZQLXOGAZQLNQBN-UHFFFAOYSA-N 375.410 3.619 5 1 GHBF COC(=O)c1cc(Cl)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 587159607 UQALYHZAAFJNTH-UHFFFAOYSA-N 379.731 3.629 5 1 GHBF CCN1c2ccc([N+](=O)[O-])cc2N(C)C(=O)c2cc(Br)cnc21 5842743 IRVVTFSQPQKIJV-UHFFFAOYSA-N 377.198 3.500 5 1 GHBF O=[N+]([O-])c1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1 96301061 LBIVPEPLOOCBEL-UHFFFAOYSA-N 384.461 3.650 5 1 GHBF in-vitro COc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1C 587268881 CIVYIBWYNHTRQN-UHFFFAOYSA-N 394.431 3.808 5 1 GHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587274602 QMSUVTWLQDKUNP-ZCFIWIBFSA-N 386.156 3.512 5 1 GHBF Cc1cc2c(cc1F)[C@@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)NCC2 962094489 SWLQOESHXCFBAS-KRWDZBQOSA-N 390.802 3.769 5 1 GHBF COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc(F)c(Cl)c12 587631140 HQKILIGLSYEWJK-UHFFFAOYSA-N 376.727 3.891 5 1 GHBF COc1cc(OCc2nc3cccc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587263586 VORMHYFJKWWJMR-UHFFFAOYSA-N 378.182 3.821 5 1 GHBF COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587644495 XOGMKQIGGOFVOS-UHFFFAOYSA-N 376.166 3.687 5 1 GHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587274600 QMSUVTWLQDKUNP-LURJTMIESA-N 386.156 3.512 5 1 GHBF COc1cc2cnc3c4ccc(NCCN(C)C)nc4ccc3c2cc1OC 49803360 BGSBYRKRRLJMCV-UHFFFAOYSA-N 376.460 3.927 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccc([N+](=O)[O-])cc1C2 587576510 OWLZUKYCPYNCTL-SIKLNZKXSA-N 389.363 3.800 5 1 GHBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CO3)cc(OC[C@H]3CO3)c12 45374424 RNIFFKWXTVVICH-DLBZAZTESA-N 390.391 3.655 5 1 GHBF Cc1ccc(-n2c(=O)c3ccccc3n3c4nc5ccccc5c-4nnc23)cc1 101618371 GKTHXHDFOQSSQR-UHFFFAOYSA-N 377.407 3.995 5 1 GHBF COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646399 RJSFFHQDRQGCPH-UHFFFAOYSA-N 390.298 3.700 5 1 GHBF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 64633721 ZKROJGKGHHBMJN-KRWDZBQOSA-N 383.404 3.900 5 1 GHBF COc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccc([N+](=O)[O-])cc3)oc2c1 36088213 DTEZOESXMOWJRN-UHFFFAOYSA-N 377.356 3.622 5 1 GHBF in-vivo CCOc1ccccc1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 45288064 ZZCFNJRXAPVHLV-KRWDZBQOSA-N 395.415 3.835 5 1 GHBF CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134678 ZHZSGWIUSKITDX-UHFFFAOYSA-N 397.479 3.770 5 1 GHBF CCNCCCO[C@@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 473158383 WHPLMMBIOGNDRX-QGZVFWFLSA-N 375.472 3.960 5 1 GHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)nn2)c1 587268916 DMPIIFFKPVZQAA-UHFFFAOYSA-N 376.710 3.650 5 1 GHBF CCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134534 RIFIVMBMNOKLMZ-UHFFFAOYSA-N 383.452 3.572 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COc1ccc([N+](=O)[O-])cc1 587575363 JOZHIEFVEYXVPB-RTBURBONSA-N 393.351 3.710 5 1 GHBF CS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587050359 PLGXMJDWXOUISP-CLTKARDFSA-N 377.809 3.698 5 1 GHBF O=C(Nc1ccccc1)c1nn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 72177225 ZGZVMXAPGNVGRL-UHFFFAOYSA-N 386.367 3.885 5 1 GHBF Cc1nn(C[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1[N+](=O)[O-] 587875045 MHFCCFGIUDQHJP-SECBINFHSA-N 385.355 3.493 5 1 GHBF COC(=O)c1cc(Br)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 587268576 FMEZLZWZRNBONM-UHFFFAOYSA-N 380.154 3.589 5 1 GHBF COc1ccc2c(c[n+](C)c3c4cc5c(cc4cc(OC)c23)OCO5)c1OC 33830146 MFHSASJJLSOHPD-UHFFFAOYSA-N 378.404 3.725 5 1 GHBF biogenic,in-vitro CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134945 HTSXCTAQJPMOCW-AWEZNQCLSA-N 385.468 3.990 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587266247 ZGYQUBPMEZUFOR-FBIMIBRVSA-N 387.383 3.835 5 1 GHBF COc1cc(OCc2nc3ccc(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587262938 JFNCCMPTLVRASE-UHFFFAOYSA-N 378.182 3.821 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587266249 ZGYQUBPMEZUFOR-IEBDPFPHSA-N 387.383 3.835 5 1 GHBF CC(C)Oc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br 587268440 YAPBKLUDDFPFGK-UHFFFAOYSA-N 392.213 3.665 5 1 GHBF O=[N+]([O-])c1ccccc1CN=c1ccc(NCc2ccccc2[N+](=O)[O-])c[nH]1 1857585923 JJRAUDKQQCQHSW-UHFFFAOYSA-N 379.376 3.544 5 1 GHBF COc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)C[C@H]1CC[C@@H](O)CN1C3 13411457 SKOPGSSLKSDTHF-ZIAGYGMSSA-N 377.440 3.612 5 1 GHBF biogenic CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(OC)c2[nH]1 587261612 CQMATOGWVXVDQN-NSHDSACASA-N 385.376 3.831 5 1 GHBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])c[nH]1 587863330 YJALKZOMONVDLE-UHFFFAOYSA-N 380.282 3.502 5 1 GHBF Cc1onc(-c2nc3cc(Cl)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080741 YDOSNOKDJFTLRV-UHFFFAOYSA-N 393.190 3.986 5 1 GHBF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc([N+](=O)[O-])cc1 40379289 WIRVSNGHKWWXGH-UHFFFAOYSA-N 375.344 3.771 5 1 GHBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccc(OC(F)F)c1 587646188 LGGMQCKSIFCSIY-UHFFFAOYSA-N 390.298 3.695 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 587166272 QCFDDSONODQMRB-UHFFFAOYSA-N 394.391 3.972 5 1 GHBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@@]1(C)NCCc2cc(C)c(F)cc21 962296152 FAKOQGFGWDUHID-LRJKXPEMSA-N 384.407 3.660 5 1 GHBF CCN(CC)CCNc1ccc(CNC)c2sc3ccc(OC)cc3c(=O)c12 100808727 MOBWUHOATSNERB-UHFFFAOYSA-N 399.560 3.896 5 1 GHBF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1C1OCCO1 587646932 NFWPUKJXIPUGMJ-SNVBAGLBSA-N 377.397 3.707 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccc(OC)c1[N+](=O)[O-])CC2=O 587473097 PVTGOOXHNZTDAN-QGZVFWFLSA-N 387.388 3.977 5 1 GHBF Cc1ccccc1-c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)co1 72185555 YDBQGBVVZBCSMG-UHFFFAOYSA-N 378.432 3.880 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)cc(Br)c2[nH]1 587267862 HGCPOUAIGXZKNT-UHFFFAOYSA-N 382.193 3.741 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C[N+](=O)[O-])(c2ccccc2)N1 587745986 KZIXHRXBFBGWMZ-APPDUMDISA-N 379.229 3.643 5 1 GHBF Cc1cnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745158 GNIKVTGBIRBYIH-BMLIUANNSA-N 394.244 3.998 5 1 GHBF C[C@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(Sc2ccccc2)c1)C(F)(F)F 13760188 XZPAWUUMYRJOMW-HNNXBMFYSA-N 386.351 3.998 5 1 GHBF Cc1cc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587196957 DKYQEQVAABDNQR-CYBMUJFWSA-N 390.440 3.696 5 1 GHBF COc1cccc2cc3c(nc12)[C@](CC(C)=O)(c1cccc([N+](=O)[O-])c1)NCC3 963059870 VPCACDVCFPVDRO-QFIPXVFZSA-N 391.427 3.520 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1cccc(F)c1 473126177 ZIIZGWNGNNHUQM-UHFFFAOYSA-N 399.378 3.675 5 1 GHBF O=C(NCC1CC1)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216893 ODGABKOSZPYBEV-UHFFFAOYSA-N 395.463 3.936 5 1 GHBF COc1ccc(CC[N@+]2(C)COc3cc4oc(=O)cc(C)c4cc3C2)cc1OC 256503023 JRZNIBFSAMOQTM-DEOSSOPVSA-N 396.463 3.658 5 1 GHBF Cc1c(Br)cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1C 587273701 FTCHKQMLNSMFEM-UHFFFAOYSA-N 378.230 3.680 5 1 GHBF CCCCCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139016305 HQYSJLHLQNKQKH-HHHXNRCGSA-N 388.441 3.951 5 1 GHBF COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508031 FJHFMYYXXWVVDS-IBGZPJMESA-N 381.384 3.967 5 1 GHBF COc1cc(OCc2nc3c(C)c(Br)cnc3[nH]2)ccc1[N+](=O)[O-] 587262521 BLURGLSZZFPRJY-UHFFFAOYSA-N 393.197 3.525 5 1 GHBF CCN(CC)CCn1[nH]c2c3cccc(OC)c3nc3c([N+](=O)[O-])ccc1c32 27108757 OTUDCOUAEOPTOY-UHFFFAOYSA-N 381.436 3.929 5 1 GHBF O=C1O/C(=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2ccccc21 586905893 GBJOBIPZENWLQW-NTUHNPAUSA-N 386.161 3.902 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587744334 DEJPLERGLGTIIN-XLFHBGCDSA-N 394.244 3.876 5 1 GHBF CCN(CC)C[C@H](C)OC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1 29392558 HJXIOSVXQZSMKV-INIZCTEOSA-N 395.503 3.858 5 1 GHBF Cc1[nH]nc2c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(nc3c(c1N)CCCC3)O2 299820198 FJQIIQSBWBYLRA-MRXNPFEDSA-N 377.404 3.768 5 1 GHBF N[C@@H](N=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109887 PXOFFWHSPZTEQQ-HNNXBMFYSA-N 379.298 3.804 5 1 GHBF COc1ccc2[nH]c3c(ccn4c(=O)c5cc(OC)c(OC)cc5nc34)c2c1 15211692 WECMFOLILVBSDK-UHFFFAOYSA-N 375.384 3.508 5 1 GHBF biogenic Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587274334 JDKQYBIYZGHXSU-UHFFFAOYSA-N 390.119 3.653 5 1 GHBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587111961 GYZLMCLCFLJYKZ-JTQLQIEISA-N 395.297 3.641 5 1 GHBF Cc1ccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1N 587251040 XBQYPYQEUQCNHX-UHFFFAOYSA-N 375.226 3.909 5 1 GHBF CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-] 13132571 OLWNCVCXQCBLHB-XSLAGTTESA-N 391.374 3.667 5 1 GHBF CCN(CC)C[C@@H](C)OC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1 29392555 HJXIOSVXQZSMKV-MRXNPFEDSA-N 395.503 3.858 5 1 GHBF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174443 WGCJLGWOJAJYEG-OAHLLOKOSA-N 381.392 3.606 5 1 GHBF COc1cc2c3c(c1)O[C@H](C(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1)[C@@H](C2)C3=O 587434428 VDUYUBDPKASQGV-FVJLSDCUSA-N 381.428 3.898 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c([N+](=O)[O-])cc1OC)CC2=O 587472772 MUCVVNFTIWJYRU-GOSISDBHSA-N 387.388 3.977 5 1 GHBF CC(=O)Nc1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587242833 UNEWGNFOZNVOAF-UHFFFAOYSA-N 389.209 3.783 5 1 GHBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)c1ccc2c(c1)CCO2 1857554801 ARABXECKEIOYJC-UHFFFAOYSA-N 392.436 3.829 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1O 587575692 KIQUNXQHBXIDIW-FXAWDEMLSA-N 379.324 3.709 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)c(O)c4c2c1)CN1CCC[C@H]1[C@H]3O 14824837 UFVLDMKDEPPHDO-LAUBAEHRSA-N 395.455 3.736 5 1 GHBF biogenic COC(=O)c1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587508034 FJHFMYYXXWVVDS-LJQANCHMSA-N 381.384 3.967 5 1 GHBF CC(C)Nc1cccc(Nc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])c1 1772575610 HTISCZFVKHVEDO-UHFFFAOYSA-N 392.481 3.845 5 1 GHBF Cc1nc(OCc2ccccc2OC(F)(F)F)c2nc([N+](=O)[O-])cn2c1C 1857583669 YXZQKKUMXHZDHA-UHFFFAOYSA-N 382.298 3.732 5 1 GHBF CN(C)C(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587110255 XSCLXIKZXKZFTB-UHFFFAOYSA-N 392.337 3.783 5 1 GHBF Cc1c(-c2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(=O)n(-c2ccccc2)n1C 1632333 WCRZHXZHTYGTPT-UHFFFAOYSA-N 376.372 3.715 5 1 GHBF CC(C)=CCc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C[C@H](C(C)(C)O)O2 14610224 STZQZHINUHDXTE-MRXNPFEDSA-N 396.439 3.941 5 1 GHBF biogenic CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82147850 DJMQWMVTVQUBED-UHFFFAOYSA-N 399.495 3.872 5 1 GHBF COc1ccc(CCC(=O)OC/C=C\c2ccc(F)c([N+](=O)[O-])c2)cc1O 43019050 RHMUPIYRWFZUDC-IHWYPQMZSA-N 375.352 3.637 5 1 GHBF O=C(c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135247 JIPQPOXBLQEHCG-UHFFFAOYSA-N 381.436 3.642 5 1 GHBF Oc1nc(=NCc2ccc(CN3CCCCC3)cc2)[nH]c2nc3ccccc3cc12 1857749501 RKUIZGVBFFPFSG-UHFFFAOYSA-N 399.498 3.904 5 1 GHBF CCCCS(=O)(=O)N[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)C 586933682 WBXGJEIYTYWRDF-AWEZNQCLSA-N 388.877 3.541 5 1 GHBF COc1cc(C)c(N)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587249244 FSDCSPAEFITOBN-UHFFFAOYSA-N 377.198 3.800 5 1 GHBF COCCNc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587261674 FSNHODJZDPPDPA-UHFFFAOYSA-N 391.771 3.758 5 1 GHBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1O)CN1CCC[C@H]1[C@H]3O 28955201 OOHJIHBAUQYQJY-GAJHUEQPSA-N 395.455 3.736 5 1 GHBF Cc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1C 587262537 BSTBHOIAQSBHEG-UHFFFAOYSA-N 393.447 3.571 5 1 GHBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587040120 KFVZPBGCPQNARG-MRXNPFEDSA-N 398.444 3.758 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587269286 ADIXWWUWPUIDDU-INIZCTEOSA-N 384.399 3.810 5 1 GHBF CC[C@H]1CC[C@@H](OC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719524 UGSGQZFMWQBJPK-XDKFSHSGSA-N 387.436 3.948 5 1 GHBF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587114092 VIXNDHFNHXBKGA-KRWDZBQOSA-N 392.337 3.890 5 1 GHBF COc1c(OC(F)F)ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] 587383826 WGSDFCXWZFIBNL-CQSZACIVSA-N 394.330 3.802 5 1 GHBF O=C(NC1CC1)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645080 UPJIXBKZUVFTFB-UHFFFAOYSA-N 383.791 3.858 5 1 GHBF CNS(=O)(=O)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 586955393 HLDLRQPPXQGRQV-UHFFFAOYSA-N 394.500 3.513 5 1 GHBF O=C1CC2(CCN(c3ncccc3[N+](=O)[O-])CC2)Oc2c1ccc1c2CCCC1 587512889 PKJKIPXKBAMQEZ-UHFFFAOYSA-N 393.443 3.873 5 1 GHBF CCN(CC)C[C@@H](O)CNc1nccc2c(C)c3[nH]c4ccncc4c3cc12 5139352 ZAMYMBBINBOWQT-HNNXBMFYSA-N 377.492 3.687 5 1 GHBF Cc1c(C(F)(F)F)cc2nc(C(=O)NCc3ccccn3)sc2c1[N+](=O)[O-] 653804972 GQZRMWFJVIQYON-UHFFFAOYSA-N 396.350 3.857 5 1 GHBF O=C(/C=C/c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587244127 LHUJCAFPYADEHN-CMDGGOBGSA-N 387.193 3.886 5 1 GHBF O=[N+]([O-])c1cc(-c2cncs2)ccc1C[C@H](O)c1ccc(-n2cncn2)cc1 1857647948 CDQHMKCRWHADNU-SFHVURJKSA-N 393.428 3.575 5 1 GHBF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc([N+](=O)[O-])ccc12 587645788 CYMXRBKDHNCOOT-UHFFFAOYSA-N 385.323 3.560 5 1 GHBF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587041821 FWJFUHVKWSRTLY-AWEZNQCLSA-N 392.799 3.919 5 1 GHBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1 1772615550 KRDZBLIEVZMFKC-UHFFFAOYSA-N 395.162 3.512 5 1 GHBF Cn1c(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc(F)c1 29125138 ZLHMOVCCXVIEGQ-UZYVYHOESA-N 386.408 3.548 5 1 GHBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Br 586978017 WULZZOBMIOSKHA-HYXAFXHYSA-N 375.182 3.808 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1[C@@H](O)CCCN1C3 68267599 ZLNAXGITCVOBLN-VXKWHMMOSA-N 393.483 3.900 5 1 GHBF CC[C@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149597 BGCUGGXDRRFEML-ZDUSSCGKSA-N 383.452 3.935 5 1 GHBF COc1cc(C[C@@H](O)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])cc1OC 653721405 NASAAAVMONHHPU-LJQANCHMSA-N 380.400 3.950 5 1 GHBF O=[N+]([O-])c1ccc(Nc2ccc3c(O)n[nH]c3c2)nc1Nc1cc(C2CC2)n[nH]1 71788649 LLRMHGFNZZHMAF-UHFFFAOYSA-N 392.379 3.659 5 1 GHBF COC1=C[C@H]2C=Cc3c(CC[N+](C)(C)[O-])cc(OC)c(OC)c3[C@@H]2C=C1OC 40865003 SYSITYAUYXVPFI-RHSMWYFYSA-N 387.476 3.621 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)ccc1[N+](=O)[O-])CC2=O 587472573 KCMKOIJOSJWXJD-SFHVURJKSA-N 385.372 3.746 5 1 GHBF COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 103205049 SAJOEADCYLYPHA-QGZVFWFLSA-N 395.304 3.702 5 1 GHBF N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1F 587143657 CSNPWOVLMQYCMB-GFCCVEGCSA-N 379.189 3.615 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(OC)c([N+](=O)[O-])c14)[C@@H](C2)C3=O 587432656 YKTRQCROXXTENH-YBTHPKLGSA-N 380.356 3.582 5 1 GHBF O=C1CCc2cc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3cc2N1 587269069 JTZXLSKRDXYFBX-UHFFFAOYSA-N 377.404 3.623 5 1 GHBF C[C@@]1(COc2ccc(-c3ccc(F)nc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 1772623694 QZLYEICOLMOYGW-IBGZPJMESA-N 384.367 3.613 5 1 GHBF CC(=O)c1cn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 49034739 ZBMCQBKWBDVXPQ-UHFFFAOYSA-N 378.793 3.643 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)O2 587391780 YTVAVFAHTRTDNU-SFHVURJKSA-N 396.403 3.647 5 1 GHBF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587041830 FWJFUHVKWSRTLY-CQSZACIVSA-N 392.799 3.919 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C[N+](=O)[O-] 587575088 IHVUUYFEUGPBTJ-SIKLNZKXSA-N 391.379 3.612 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587749479 YMTUZOYYYVIOED-HUTHGQBESA-N 395.228 4.000 5 1 GHBF COc1cccc2cc3c(nc12)[C@H](c1nc2cc([N+](=O)[O-])ccc2o1)NCC3 963058342 OBHWABJFDUXTAN-LJQANCHMSA-N 376.372 3.528 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cccc(C2C3CC4CC(C3)CC2C4)c1O 29478038 UYJGVYWDPXVTHY-BSPBIMSYSA-N 383.448 3.655 5 1 GHBF O=[N+]([O-])c1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC3)CC1 26501300 QERRDOXNELCZTI-UHFFFAOYSA-N 381.476 3.675 5 1 GHBF CC[C@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148624 DFKSVDZRXDEBEH-AWEZNQCLSA-N 385.468 3.990 5 1 GHBF COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(OC)c1O 587785726 OJAJQLLWXNRLBW-UHFFFAOYSA-N 394.181 3.623 5 1 GHBF CC1(C)C=Cc2c(cc3oc4ccc5c(c4c(=O)c3c2O)C=C[C@@](C)(CO)O5)O1 14766822 AVSIAACNDNIRAQ-QHCPKHFHSA-N 392.407 3.993 5 1 GHBF biogenic CC1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135701 CIKUAECSEQCYAG-UHFFFAOYSA-N 395.463 3.524 5 1 GHBF CC[C@]12CCC[N@@+]3([O-])CC[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 299809088 YPPCMYNDPGBUJI-CCCKFAPSSA-N 388.895 3.842 5 1 GHBF O=C(O)c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1F 587108900 CJTODFOKUKDBEY-UHFFFAOYSA-N 383.257 3.918 5 1 GHBF CC(=O)c1c(O)c2c3c4c(c5c(O)cccc5oc-4cc(=O)c3c1O)[C@H](O)[C@H]2C 198844281 YNPCEOJRMFMWCJ-SVWIBVJCSA-N 392.363 3.521 5 1 GHBF CC1=Nc2[nH]ncc2[C@H](c2cccs2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724283 DYEIBCPQVRZFSX-JKSUJKDBSA-N 381.417 3.872 5 1 GHBF CS(=O)(=O)Nc1ccc2c(=O)c3cc(-c4ccccc4)cnc3ccc2c1 72110781 CPNJMBOSJCJHHR-UHFFFAOYSA-N 376.437 3.787 5 1 GHBF Cc1c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979675 HVXATXQYDPQWBZ-UHFFFAOYSA-N 378.142 3.512 5 1 GHBF CCOC(=O)c1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587266126 VLXGVCGGKXCDBF-JTQLQIEISA-N 399.363 3.729 5 1 GHBF O=[N+]([O-])c1ccc2c(ccn2S(=O)(=O)c2ccc(Br)cc2)c1 49785069 ODSRSUSCOIGZGZ-UHFFFAOYSA-N 381.207 3.549 5 1 GHBF CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148535 RNLYBRURUIVYOA-KSSFIOAISA-N 397.479 3.816 5 1 GHBF COC1=C[C@H]2C=Cc3c(CC[N+](C)(C)[O-])cc(OC)c(OC)c3[C@H]2C=C1OC 40864997 SYSITYAUYXVPFI-PBHICJAKSA-N 387.476 3.621 5 1 GHBF COC(=O)CCN=c1cc2oc3cc(N(C)C)ccc3nc-2c2ccccc12 377803815 QCRBHCTVXOWUNU-UHFFFAOYSA-N 375.428 3.616 5 1 GHBF C[C@]1(c2ncccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573884 DISCNCXEFZETIZ-JXFKEZNVSA-N 378.340 3.572 5 1 GHBF COc1cc2c(cc1OC)[C@H](c1cccc(-c3cccc([N+](=O)[O-])c3)n1)NCC2 1857578968 UTFUJJTYIAEWGH-JOCHJYFZSA-N 391.427 3.909 5 1 GHBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@H](O)C1=CCCN1C3 14824732 ZXNMSYXUHREWSY-JOCHJYFZSA-N 393.439 3.861 5 1 GHBF biogenic CC[C@]12CCC[N+]3([O-])CC[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@H]23 40380302 YPPCMYNDPGBUJI-HVHWJMRMSA-N 388.895 3.842 5 1 GHBF C/C=C1/C[N@+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 1857607923 CNYOIGMTKAXVDP-DOEYDEGMSA-N 382.460 3.749 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2[N+](=O)[O-])N1 587745716 IFINMGOBKGEQNP-VPTHRUTESA-N 381.201 3.826 5 1 GHBF CCCCNC(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1 2178320299 YYDSKJHZQJKPRL-UHFFFAOYSA-N 389.408 3.719 5 1 GHBF COCCNc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587261606 FDDVDUMRVWOORR-UHFFFAOYSA-N 391.225 3.959 5 1 GHBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(OC(F)F)cc1 587646565 VBNTWUXTAJCPJC-UHFFFAOYSA-N 390.298 3.695 5 1 GHBF Nc1ccc2nc3c4c(nccc4c2c1Br)-c1ncccc1C3=O 27205325 VRNDCSQPEDETKM-UHFFFAOYSA-N 377.201 3.734 5 1 GHBF O=C(O)c1cc(-c2cccc(/C=C/COc3cccc(O)c3[N+](=O)[O-])c2)on1 38934350 NWJKRZZSKVMUKF-HWKANZROSA-N 382.328 3.746 5 1 GHBF O=C(O)CCC(=O)Nc1c(-c2ccc(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587645698 IFPAAJINNAFTND-UHFFFAOYSA-N 389.314 3.825 5 1 GHBF Cc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1F 586927820 WOXAAXQNDIILED-UHFFFAOYSA-N 383.788 3.643 5 1 GHBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccccc1Br 72176699 FPLPRVFRCPUAKB-AEZGRPFRSA-N 394.225 3.507 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[N+](=O)[O-])c1ccccc1 587577969 VESDYMBIPYJWPC-GHTZIAJQSA-N 377.352 3.526 5 1 GHBF COc1cc(OCc2nc3ccc(Br)c(O)c3[nH]2)ccc1[N+](=O)[O-] 587262470 ADACIKVKSBYIFG-UHFFFAOYSA-N 394.181 3.527 5 1 GHBF O=S(=O)(O)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 299838602 VMCIDXCBWPBQKG-UHFFFAOYSA-N 376.397 3.573 5 1 GHBF CCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4ncccc4c21)OCO3 71295302 MSIKXLCPZQJRNS-UHFFFAOYSA-N 389.455 3.773 5 1 GHBF CC(C)CCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139016648 UHYXSZAIACYGFZ-MHZLTWQESA-N 388.441 3.807 5 1 GHBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c4c(ccc3oc12)O[C@H](C(C)(C)O)C4 13412036 CIFXWYICBJRMRC-SFHVURJKSA-N 396.439 3.941 5 1 GHBF biogenic,in-vitro O=[N+]([O-])c1cncc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998117 GWXBYDMUIBZHGO-OWOJBTEDSA-N 389.165 3.528 5 1 GHBF COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587934265 HPICSRHGWVFUJC-UHFFFAOYSA-N 380.360 3.960 5 1 GHBF COc1ccc(N2C[C@H](C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC2=O)cc1 587280441 WYPIBAZHSWQTIZ-GFCCVEGCSA-N 380.356 3.585 5 1 GHBF Nc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3[nH]2)cc1 5545783 VVLMOCPBCDHIQY-MOSHPQCFSA-N 399.410 3.981 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747148 PGKAOHSEWPDNGZ-KPZWWZAWSA-N 393.256 3.837 5 1 GHBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587273706 FUJYABABXUHOBU-UHFFFAOYSA-N 379.220 3.909 5 1 GHBF Cc1c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] 587261200 YIWHBLGJCMMVHX-UHFFFAOYSA-N 385.323 3.740 5 1 GHBF Cc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13559488 RQBSPSHLRNBIAA-KRWDZBQOSA-N 398.337 3.691 5 1 GHBF O=C(NCCSCc1cccc(Cl)c1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 49808086 NFSVGBQXVBZBED-UHFFFAOYSA-N 395.824 3.820 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C[N+](=O)[O-])c1ccccc1 587577974 VESDYMBIPYJWPC-WIYYLYMNSA-N 377.352 3.526 5 1 GHBF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCc2ccc([N+](=O)[O-])cc2CC1 963632062 FHFZRWYKXXPZPC-FPTDNZKUSA-N 382.460 3.921 5 1 GHBF COC(=O)c1ccc2nc3n(C)c4ccccc4c(NCCN(C)C)c-3c2c1 103142088 VGQSMPYNWOMIRY-UHFFFAOYSA-N 376.460 3.591 5 1 GHBF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587116662 AKFCDMYBCCDJGY-UHFFFAOYSA-N 390.119 3.653 5 1 GHBF COc1ccc(C=O)c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)oc12 586902897 CUBJDKLERWXNOF-UHFFFAOYSA-N 382.288 3.614 5 1 GHBF O=c1nc(SCc2ccccc2)nc(SCc2cccc([N+](=O)[O-])c2)[nH]1 72124868 BNMUSVSWXJTYKH-UHFFFAOYSA-N 386.458 3.658 5 1 GHBF COc1cc2c(CCN)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40422994 LHTFXWJJXGPZFB-UHFFFAOYSA-N 376.412 3.788 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 587268968 FQZVQDDDDVLQHQ-UHFFFAOYSA-N 399.366 3.959 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1[N+](=O)[O-] 587006598 IVGIGGCSYORCDG-UHFFFAOYSA-N 398.560 3.857 5 1 GHBF COc1cc2c(NCCN(C)C)nc3c4cccnc4ccc3c2cc1OC 71281652 CYQAJOSGHOZLFQ-UHFFFAOYSA-N 376.460 3.927 5 1 GHBF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3[N+](=O)[O-])c2=O)cc1 73369084 HHYJMJKLYYJENU-UHFFFAOYSA-N 387.779 3.654 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1COCCN1C3 72112400 UKGIPGPYRFDWRS-AWEZNQCLSA-N 379.456 3.776 5 1 GHBF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857538545 RHFUMHWEEVJZIN-IBGZPJMESA-N 398.418 3.903 5 1 GHBF O=C1C=C[C@H]([C@H]2c3cccc([N+](=O)[O-])c3C=CN2C(=O)OCc2ccccc2)O1 1857757060 UZAMDCIIAJOMNO-UYAOXDASSA-N 392.367 3.741 5 1 GHBF Cc1c(-c2nc3cccc(C(=O)O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979283 AEXUYWGQVYAAAQ-UHFFFAOYSA-N 376.166 3.907 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)CC2=O 587472557 JVJGUCLFVUCTGA-INIZCTEOSA-N 388.332 3.573 5 1 GHBF O=c1c2cc3c(CO)cc4cc(O)cc(O)c4c3oc-2cc2cc(O)cc(O)c12 14514541 XTJYVSIDALZDLE-UHFFFAOYSA-N 390.347 3.519 5 1 GHBF biogenic CC[C@@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149863 BKOMRQLOZDESJY-CQSZACIVSA-N 383.452 3.570 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747201 NBDIQRLUVZLYIB-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587748822 WQOXGEINBWILIR-XLFHBGCDSA-N 393.212 3.933 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1[N+](=O)[O-])O2 587377993 REYRDRBKBMUVPV-AWEZNQCLSA-N 377.194 3.954 5 1 GHBF N=c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2ccccc2[nH]1 587253149 AUKDBGYXIJKADU-UHFFFAOYSA-N 384.193 3.861 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749846 ZTCJDVPYECUCNZ-HUTHGQBESA-N 394.244 3.876 5 1 GHBF CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1 14970318 NASUSRHDQBACRQ-UHFFFAOYSA-N 375.403 3.881 5 1 GHBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c4c(ccc3oc12)O[C@@H](C(C)(C)O)C4 13412033 CIFXWYICBJRMRC-GOSISDBHSA-N 396.439 3.941 5 1 GHBF biogenic O=c1c2c3c(sc2nc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2)CCCC3 6006826 XVFLGZZGDRGFHR-UHFFFAOYSA-N 398.469 3.603 5 1 GHBF COc1cc(OCc2nc3ccc(Br)c(F)c3[nH]2)ccc1[N+](=O)[O-] 587262936 JDGXEFLASHSWDO-UHFFFAOYSA-N 396.172 3.960 5 1 GHBF O=C(O)c1cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1Cl 621476379 JZPZTDSXVIRCQF-UHFFFAOYSA-N 396.742 3.900 5 1 GHBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1F 587150001 JMPCDNMJJWNKFW-UHFFFAOYSA-N 382.145 3.657 5 1 GHBF Cc1cnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745160 GNIKVTGBIRBYIH-BTDLBPIBSA-N 394.244 3.998 5 1 GHBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(C=C(Nc3ccccc3[N+](=O)[O-])CCC2)N1 962908210 UIURLOSAZKOHFP-LAUBAEHRSA-N 397.406 3.708 5 1 GHBF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575603 JQOUWTNAGRKAPM-GHTZIAJQSA-N 391.335 3.816 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc(CCOCc3ccccc3)[nH]c12 587566192 ZXTUYBBNISEWQO-UHFFFAOYSA-N 376.210 3.993 5 1 GHBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1OC 587268704 BWHUUGFIWDGAQW-UHFFFAOYSA-N 396.403 3.534 5 1 GHBF CC(C)[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCc1ccccc1 587198930 RBOLYXSKNRYHEU-KRWDZBQOSA-N 383.408 3.832 5 1 GHBF Cc1cc2c(cc1O)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N[C@H](C(=O)O)C2 963556606 XOXVBMHAVPZWDX-OXJNMPFZSA-N 394.383 3.557 5 1 GHBF O=C1NC(=O)c2c1c1cnc3ccccc3c1c1c2c2ccccc2n1CCCO 13488700 NNNOBGXWRFQGDT-UHFFFAOYSA-N 395.418 3.762 5 1 GHBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccs2)c2c[nH]nc2N1 64447623 SNSUWROLNSMLDF-MRXNPFEDSA-N 381.417 3.850 5 1 GHBF O=[N+]([O-])c1ccc(Oc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587552832 CUTHFMZBDWERHS-UHFFFAOYSA-N 376.328 3.804 5 1 GHBF Cc1ccnc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587057470 XFRAVKXNQBRDMM-AWEZNQCLSA-N 387.827 3.955 5 1 GHBF COc1cc2c(ccc3c(CCN(C)C(C)=O)cc(OC)c(OC)c32)cc1O 14593232 UXHXFNAMTQWXOM-UHFFFAOYSA-N 383.444 3.745 5 1 GHBF biogenic O=C(Cc1ccccc1)NCCc1nc2c3cccnc3c3ncccc3c2[nH]1 587228704 QADJFHOBFXVUJW-UHFFFAOYSA-N 381.439 3.561 5 1 GHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Cl)c2[nH]1 587264035 IZXADCWRNVOOPE-XLKFXECMSA-N 391.771 3.567 5 1 GHBF O=C1O/C(=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2ccccc21 586905839 DYFXZLALNRFORR-GHXNOFRVSA-N 386.161 3.902 5 1 GHBF COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)c(CCC(=O)O)c23)c1 299863853 LRPGRFRZPRPLQR-UHFFFAOYSA-N 399.359 3.544 5 1 GHBF C[C@@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O 1772580552 OOEYCYRNAHHRGX-HMILPKGGSA-N 399.428 3.543 5 1 GHBF O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccccc2O)c1 1857616850 WMOMHWQBJKWXAG-UHFFFAOYSA-N 392.327 3.945 5 1 GHBF O=[N+]([O-])c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587017259 KIAPZKGXYSDMOK-UHFFFAOYSA-N 394.412 3.957 5 1 GHBF CN(C)CCCNC(=O)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12 27520734 XXRXYZWPCBDUAF-UHFFFAOYSA-N 379.485 3.578 5 1 GHBF C[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276898 OPLMPFAVFVCUOF-LURJTMIESA-N 375.694 3.829 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)ncc3[nH]2)c1 587269385 MLAPHKBJVZAMDX-UHFFFAOYSA-N 388.225 3.896 5 1 GHBF O=[N+]([O-])c1cncc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586957740 BAUUQYZTSFNOBM-MUUNZHRXSA-N 392.440 3.904 5 1 GHBF Cn1c2nc3ccccc3c-2c(N2CCN(CCO)CC2)c2cc(Cl)ccc21 101683560 BCSRSEZIIMZZRG-UHFFFAOYSA-N 394.906 3.599 5 1 GHBF Nc1ccc(-c2ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1N 587270025 HPYAPPWINRMNSC-SFHVURJKSA-N 388.431 3.545 5 1 GHBF C[C@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772579302 KZFRULYIWSGDHV-CQSZACIVSA-N 389.355 3.771 5 1 GHBF CN(C)CCNCc1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2 22452363 MZYFUUGFSMWCAW-UHFFFAOYSA-N 378.472 3.782 5 1 GHBF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586909306 YBNPUUQEFGFKJM-MRVPVSSYSA-N 390.193 3.814 5 1 GHBF CN1C(=O)C[C@H]2CN[C@H](c3cccc4nc5ccccc5nc34)c3cccc1c32 963031922 RWDJXEUADODDBQ-PSLXWICFSA-N 380.451 3.926 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1[C@@H](CO)CC3 14945595 YPDLMDMBCACZDE-GFCCVEGCSA-N 395.418 3.792 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587746045 IQVDTHYCYJAKNU-XYZCENFISA-N 393.212 3.933 5 1 GHBF Cc1cc(Br)cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269274 KQHQUZBWFUTPSU-UHFFFAOYSA-N 390.193 3.934 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](O)CCN1C3 68267589 CNGIXIUEFVKHFX-HUUCEWRRSA-N 393.483 3.900 5 1 GHBF O=[N+]([O-])c1cccc(Nc2ncnc3c2nnn3Cc2ccccc2Cl)c1 13778525 FSTBPIGVGIIYOR-UHFFFAOYSA-N 381.783 3.575 5 1 GHBF COc1cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC 29041929 ZOSHOAVGCNGEAX-WAYWQWQTSA-N 390.348 3.708 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587748502 VDJVEFGNIQGDQS-XYZCENFISA-N 394.244 3.876 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OCC[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 1772580480 KPIBIWBYXMUZLO-LJQANCHMSA-N 395.415 3.738 5 1 GHBF CC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 73195722 VWAVXLLFKHFOAL-AWEZNQCLSA-N 385.323 3.914 5 1 GHBF CCOC(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587136704 JGYYPCUQTYSPFI-UHFFFAOYSA-N 386.383 3.732 5 1 GHBF CC(C)Oc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587276318 KMAJCOGYUDXAMO-VIFPVBQESA-N 394.229 3.827 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747415 QEDBGYXUZFPUOI-SGTLLEGYSA-N 393.256 3.837 5 1 GHBF Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1[N+](=O)[O-] 13587420 FSLGJEYQQVIRPA-UHFFFAOYSA-N 378.410 3.959 5 1 GHBF CN(c1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1)S(C)(=O)=O 72110782 GPWWVBNKGJTHFN-UHFFFAOYSA-N 390.464 3.811 5 1 GHBF CCc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586928235 ZPNPSHOVZPZZJX-UHFFFAOYSA-N 379.825 3.757 5 1 GHBF CCOC(=O)Cn1c2cc(OC)ccc2c2cc[n+]3nc(CC)c(CC)cc3c21 26577487 OAXQNJPUUJXZIF-UHFFFAOYSA-N 392.479 3.625 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)nn1CC(F)(F)F 587093147 WKWFRNWOQUIBKP-UHFFFAOYSA-N 379.220 3.916 5 1 GHBF COc1cc([N+](=O)[O-])c(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 29041931 FMQVYDRULMREAH-WAYWQWQTSA-N 390.348 3.708 5 1 GHBF O=c1nc2n(-c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc3cc-2c(=O)[nH]1 28641994 ZTZYBNUYEAZOPE-UHFFFAOYSA-N 391.736 3.851 5 1 GHBF CC[C@@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135796 LYMCCVCGPUYXLA-CQSZACIVSA-N 383.452 3.888 5 1 GHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587265683 SDIIKIBTIVMUJQ-ZETCQYMHSA-N 390.287 3.600 5 1 GHBF Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576529 OXTIMIJSIRVROK-YLJYHZDGSA-N 378.340 3.586 5 1 GHBF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135832 BCDUEWKKIOHOOC-GJZGRUSLSA-N 397.479 3.626 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587269001 GODYLARRASPENY-UHFFFAOYSA-N 399.366 3.959 5 1 GHBF COC(=O)C(=O)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645938 FPOGZUUTVYYZRZ-UHFFFAOYSA-N 390.298 3.700 5 1 GHBF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 586939068 MYHIODIMYYQGMX-GFCCVEGCSA-N 388.449 3.523 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587744125 CKPAOJOZEBOLFO-ANRSDYALSA-N 396.216 3.524 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3ccc(CCO)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267858 SNPVYRWRJCMJLU-UHFFFAOYSA-N 391.431 3.535 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587117942 MKBWCDHUJKAHIT-UHFFFAOYSA-N 395.128 3.745 5 1 GHBF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2=O 587472112 YIMVLTQMURSWTE-XLIONFOSSA-N 385.420 3.969 5 1 GHBF CCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 82148223 HGROSMSBFPKLCY-UHFFFAOYSA-N 397.479 3.818 5 1 GHBF O=c1nc2n(-c3cccc(Cl)c3)c3c(C(F)(F)F)cccc3cc-2c(=O)[nH]1 96286451 YLJJLQRZYDGAKB-UHFFFAOYSA-N 391.736 3.851 5 1 GHBF CCOC(=O)Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269018 HEDYEDXWGRVEDK-UHFFFAOYSA-N 394.431 3.844 5 1 GHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587110118 SMNOQPKNGVAQLM-UHFFFAOYSA-N 391.231 3.841 5 1 GHBF Cc1cc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1[N+](=O)[O-] 587037447 IXFVLGHVPWEEOB-JTQLQIEISA-N 398.448 3.527 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587417471 KYTDAYPREASKCE-YVEFUNNKSA-N 390.189 3.855 5 1 GHBF O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)c(F)c1 1857750742 UJTYGVDYVGRTAS-UHFFFAOYSA-N 391.830 3.782 5 1 GHBF COc1ccc2sc3c(c2c1)N(Cc1ccc([N+](=O)[O-])cc1)CCNC3=O 3647223 MKENMLJFNXCGQZ-UHFFFAOYSA-N 383.429 3.568 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587746122 JBLRDELYNYPRSK-VPTHRUTESA-N 381.201 3.826 5 1 GHBF COCCOc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1[N+](=O)[O-] 587265676 PZNRRTTUMLFDJX-UHFFFAOYSA-N 383.191 3.865 5 1 GHBF C[C@@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 1772656472 CIMAKXBXNHMVDP-FQEVSTJZSA-N 381.388 3.952 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 26184153 ZWRCMVHKUKUTSC-WSTOHFRZSA-N 380.784 3.669 5 1 GHBF CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216991 DOXMAOHHRGEADP-UHFFFAOYSA-N 383.452 3.888 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 100018952 OSLSFTCRPLXEBM-XERWBJCMSA-N 380.784 3.669 5 1 GHBF CNC(=O)NCCOCCn1ccc2c(C)c3nc4ccccc4c3c(C)c2c1 377853457 RUJDWACNWHJPHT-UHFFFAOYSA-N 390.487 3.905 5 1 GHBF CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]1c1ccccc1Cl 587062631 YXSGUUIRQKABCT-WBMJQRKESA-N 385.811 3.597 5 1 GHBF CCOc1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c([N+](=O)[O-])c1 962731752 UFPGYPTZVSEICH-NVXWUHKLSA-N 394.349 3.729 5 1 GHBF CC(C)CN(C)c1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135528 WOMUMLOJFGMHKK-UHFFFAOYSA-N 397.479 3.770 5 1 GHBF O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1[N+](=O)[O-] 587119356 SXIDVLSPWDUGTP-UHFFFAOYSA-N 396.285 3.520 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)O2 587391659 WOYJTCFRZBAKMV-NJRZHNRPSA-N 381.432 3.730 5 1 GHBF C[N+]1(C)[C@H]2CC[C@H]1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 101077937 ULSVQRMDLUIMAZ-VXKWHMMOSA-O 376.524 3.725 5 1 GHBF COc1ccc2c(CN3CCC[C@H](CN)C3)cc3cc4c(cc3c2c1)OCO4 43079921 AFSKFEIFCBGZOV-OAHLLOKOSA-N 378.472 3.901 5 1 GHBF Cc1c(Cc2cccc([N+](=O)[O-])c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 114922688 FOXZPGBYHXQIAK-UHFFFAOYSA-N 382.372 3.661 5 1 GHBF Cc1ccc2nc(-c3ccc(I)c([N+](=O)[O-])c3)cn2c1 68585855 ZUGQHVNOADXFMX-UHFFFAOYSA-N 379.157 3.823 5 1 GHBF biogenic C[N+]1(CCF)[C@H]2CC[C@@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 13885176 OATDVDIMNNZTEY-MYWYYWIJSA-N 398.498 3.575 5 1 GHBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 169723621 BBKNEXLBDUPYET-DOTOQJQBSA-N 388.420 3.558 5 1 GHBF O=C1CCc2ccccc2N1CCCCN1CCc2ccc([N+](=O)[O-])cc2C1 1857563797 VFSNXWBYCDPCHP-UHFFFAOYSA-N 379.460 3.713 5 1 GHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 587647263 TUDARHSPULLVHP-UHFFFAOYSA-N 378.388 3.985 5 1 GHBF CCCC/C=C\CCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 219814766 JPNOKZQZVLXQNC-FAPWYTRCSA-O 386.553 3.527 5 1 GHBF in-vitro CN(C)CCCN1CCN(c2c3ccccc3nc3c2[nH]c2ccccc23)CC1 95575652 ABVLNNAUTIXSKR-UHFFFAOYSA-N 387.531 3.943 5 1 GHBF COc1cc(Nc2c3ccccc3nc3cccnc23)ccc1NS(C)(=O)=O 169323987 SHJWVHDOHKRURH-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF Cc1ccc2nc(-c3ccc(Cl)cc3)c3nc(C)n(CC(=O)O)c(=O)c3c2c1 1857635615 VWBCOQJPRJDBSP-UHFFFAOYSA-N 393.830 3.967 5 1 GHBF O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)ccc1CO 1857650559 NYRIFSYVNLLMLT-QGZVFWFLSA-N 395.381 3.792 5 1 GHBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587039609 HDYCAPYGOXSCHJ-QGZVFWFLSA-N 398.444 3.758 5 1 GHBF Cc1nc(OCc2ccc(OC(F)(F)F)cc2)c2nc([N+](=O)[O-])cn2c1C 1857548888 QDUFGNHEMWBENM-UHFFFAOYSA-N 382.298 3.732 5 1 GHBF O=C1c2ccccc2[C@](O)(c2ccc(F)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66103581 JDQPEVSGVBTFKP-OAQYLSRUSA-N 378.359 3.583 5 1 GHBF O=C1OCC(Nc2ccc([N+](=O)[O-])cc2)=C1c1ccc(Br)cc1 72117047 MBDBGFAQNFGKCF-UHFFFAOYSA-N 375.178 3.737 5 1 GHBF O=[N+]([O-])c1ccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)cc1 96935203 JCCMXAQGSQTRHR-UHFFFAOYSA-N 386.389 3.622 5 1 GHBF CCS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587140334 ZOCZHRKSFPTUIF-UHFFFAOYSA-N 383.788 3.724 5 1 GHBF CC1=Nc2[nH]ncc2[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724280 DYEIBCPQVRZFSX-CVEARBPZSA-N 381.417 3.872 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc3ncccc3c2[nH]1 587117104 HEAOVDHWOPKCSO-UHFFFAOYSA-N 376.298 3.591 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587748818 WQOXGEINBWILIR-HUTHGQBESA-N 393.212 3.933 5 1 GHBF O=[N+]([O-])c1cccc(-c2nc([C@H]3NCCc4ccc(O)cc43)c3ccccn23)c1 963350701 CRDROVZLKQBYFV-FQEVSTJZSA-N 386.411 3.850 5 1 GHBF CC(=O)Oc1cc(C(=O)C(C)(C)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O 27756036 RUBVFBSYTBGETE-UHFFFAOYSA-N 385.372 3.606 5 1 GHBF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 58599010 ZKROJGKGHHBMJN-QGZVFWFLSA-N 383.404 3.900 5 1 GHBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccccc1Br 72176698 FPLPRVFRCPUAKB-WSKFYRRCSA-N 394.225 3.507 5 1 GHBF COc1cc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc(OC)c1OC 253676672 IIWNKXJTEFNJSN-TXBYWVTISA-N 392.516 3.668 5 1 GHBF O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Br)cn1 13282175 BJPWKDYDFZPDDP-AWEZNQCLSA-N 380.223 3.531 5 3 GHBF COc1cc([N+](=O)[O-])c(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 29042393 FMQVYDRULMREAH-AATRIKPKSA-N 390.348 3.708 5 1 GHBF Cc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 221594706 PCCOKZOUDCXZMW-JTOYRKQZSA-N 399.450 3.916 5 1 GHBF C[n+]1c2ccccc2c(NCCCN2CCOCC2)c2oc3ccccc3c21 40933897 OIMCVQNYKNTPOB-UHFFFAOYSA-O 376.480 3.698 5 1 GHBF CN(C)CCn1c2ccccc2c(=O)c2cc3ncn(C4CCCC4)c3nc21 474608546 MPLBPIZUNXEWHP-UHFFFAOYSA-N 375.476 3.576 5 1 GHBF CCn1nc(C)c(Br)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279555 LGFBTXRFOFZKLS-UHFFFAOYSA-N 378.182 3.859 5 1 GHBF Cc1cc(N(C)Cc2nc3c(Br)ccnc3[nH]2)c([N+](=O)[O-])cc1F 587136158 BXQKRAWESLKUFI-UHFFFAOYSA-N 394.204 3.713 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587433084 NGZYAESLVODYOQ-HRAATJIYSA-N 376.368 3.883 5 1 GHBF Cc1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)o2)cc1[N+](=O)[O-] 962916172 CCNXODAVMNVUQE-MGPUTAFESA-N 396.374 3.991 5 1 GHBF Cc1cc2c(cc1F)[C@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)NCC2 962094493 SWLQOESHXCFBAS-QGZVFWFLSA-N 390.802 3.769 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[N@+]1([O-])CCC[C@H]1[C@H]3O 257469347 KYCJLNMNKCNMOB-CDNPAEQRSA-N 381.428 3.740 5 1 GHBF N[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586983406 CGFYQMOHFNFLKT-LLVKDONJSA-N 379.189 3.615 5 1 GHBF CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc([N+](=O)[O-])c23)C1(C)C 14975840 CZHOXYKXIPYLJS-UHFFFAOYSA-N 399.491 3.747 5 1 GHBF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134938 YHDGUIPPOJKZCT-KBXCAEBGSA-N 397.479 3.816 5 1 GHBF O=[N+]([O-])c1ccc2c(c1)C(=Cc1cccnc1N1CCNCC1)c1ccccc1-2 1857590659 QFRAHLXKCAVTKO-UHFFFAOYSA-N 384.439 3.969 5 1 GHBF Cc1ccc2oc(=O)cc(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2c1 71340516 CQEGDRNHSNVVIZ-UHFFFAOYSA-N 395.396 3.801 5 1 GHBF COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 653849073 JHXPNTCIPZLNLI-UHFFFAOYSA-N 388.361 3.854 5 1 GHBF C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574736 GZFYEXJKNHBTMM-WIYYLYMNSA-N 393.351 3.883 5 1 GHBF O=[N+]([O-])c1cncc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081877 XIYNZEGLBFHOIA-UHFFFAOYSA-N 391.778 3.896 5 1 GHBF OCCN1CCN(c2c3cc(Cl)ccc3nc3[nH]c4ccccc4c23)CC1 40914435 XNNHAPZOBYPZGB-UHFFFAOYSA-N 380.879 3.637 5 1 GHBF O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4CCC[C@H]32)cc1 254080484 VUXCFQZRWRCNSK-SZMVWBNQSA-N 398.444 3.716 5 1 GHBF COc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1F 587268848 BTDBXJSBPYRRQH-UHFFFAOYSA-N 398.394 3.639 5 1 GHBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 169723629 BBKNEXLBDUPYET-RDJZCZTQSA-N 388.420 3.558 5 1 GHBF COc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587388380 ANDYJRTVLVIHPM-FQEVSTJZSA-N 393.399 3.991 5 1 GHBF COc1ccc(/C=C\Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(OC)c1 587930934 XPFJCZLIWUUUPT-ARJAWSKDSA-N 384.348 3.652 5 1 GHBF CC(C)[N+](C)(C)C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29551019 FZZWJXWMIZICKI-GOSISDBHSA-N 382.480 3.685 5 1 GHBF COc1ccc(-c2csc(NCC(=O)NC3CCCCC3)n2)cc1[N+](=O)[O-] 82222824 YFFKPFOSTFUOKV-UHFFFAOYSA-N 390.465 3.588 5 1 GHBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cn(C)c2ccccc12 587647829 QUSUERQYPCSYRN-UHFFFAOYSA-N 377.356 3.585 5 1 GHBF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587417599 CULBOYSRSVRGCG-HXPMCKFVSA-N 389.791 3.928 5 1 GHBF CCCCCCOc1c(OC)cc(C(=O)OCCC[N+](C)(C)C)cc1OC 26263881 AYYIMILKBRMBHS-UHFFFAOYSA-N 382.521 3.916 5 1 GHBF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc([N+](=O)[O-])cc3)C[C@H]1C=N2 49808078 WGUQTRUYMMOQLD-HNNXBMFYSA-N 379.372 3.584 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OC)cc2[nH]1 587263753 OGLYPEMUPPLNHM-LLVKDONJSA-N 385.376 3.831 5 1 GHBF COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)OCc1ccccc1 587646803 KIZMPFQSLZPMNJ-UHFFFAOYSA-N 383.360 3.540 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1O 587575694 KIQUNXQHBXIDIW-XLIONFOSSA-N 379.324 3.709 5 1 GHBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587189817 DJDSBFVFOMKAOD-MRXNPFEDSA-N 383.408 3.822 5 1 GHBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4ccccn4c32)c(OC)c1 103232324 BNZBYTCUQLMPJK-UHFFFAOYSA-N 385.423 3.868 5 1 GHBF COc1cc2ccc3c(OC)c(OC(C)=O)ccc3c2c(OC)c1OC(C)=O 2356464677 ANNQCQWRIPYFBV-UHFFFAOYSA-N 384.384 3.869 5 1 GHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1[N+](=O)[O-] 587871222 DAEVFEXVLVGHEJ-UHFFFAOYSA-N 385.351 3.715 5 1 GHBF Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br 587269267 JTABENDWWVDCFU-UHFFFAOYSA-N 399.208 3.790 5 1 GHBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccccc1 1857602584 NWTZCDRRAOMCIO-UHFFFAOYSA-N 380.452 3.514 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(C)CN1C3 72112140 LCNKZEVXJZEBPH-CQSZACIVSA-N 378.472 3.648 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)O2 587376505 IYHQOBRWIPLLRV-AWEZNQCLSA-N 393.193 3.660 5 1 GHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N=O)c2c1 587620259 ACUQMJPHIBLPSW-UHFFFAOYSA-N 390.377 3.592 5 1 GHBF COC(=O)C(=O)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645695 BFOULRDEMYMNKV-UHFFFAOYSA-N 390.298 3.700 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587744148 CKPAOJOZEBOLFO-AYVTZFPOSA-N 396.216 3.524 5 1 GHBF C[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172674 JUQIDDJOPAOZSO-QGZVFWFLSA-N 375.743 3.892 5 1 GHBF C[C@@]1(c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)NCCc2c(C(=O)O)cccc21 963120395 HLANEUKHGFKPOJ-KRWDZBQOSA-N 396.321 3.601 5 1 GHBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4ccccn4c32)cc1OC 103232322 QGCXIANKBNQWTL-UHFFFAOYSA-N 385.423 3.868 5 1 GHBF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(O)c([N+](=O)[O-])cc3C[C@@H]21 100621310 JFQMHJRPIWWVKO-QAPCUYQASA-N 377.400 3.503 5 1 GHBF C[C]1C=C(C)C=CN1CC(=O)c1ccc(I)c([N+](=O)[O-])c1 2356849026 RLTQUWYHPQXNIC-UHFFFAOYSA-N 397.192 3.710 5 1 GHBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1c1ccc(O)cc1 45255630 RYUSKHAVBCFJDB-HNNXBMFYSA-N 397.416 3.629 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)c(F)cc3[nH]2)CC1 587270173 RFYYAOJIYGMYLQ-UHFFFAOYSA-N 386.358 3.769 5 1 GHBF O=[N+]([O-])c1ccc(CNc2nc(NCc3ccccc3F)nc3[nH]cnc23)cc1 87722031 ZIVVKXCZXGBERT-UHFFFAOYSA-N 393.382 3.624 5 1 GHBF CCOC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(OC)cc(OC)cc13)OCO2 238758779 BEBPNZBVBQENRB-UHFFFAOYSA-N 399.355 3.824 5 1 GHBF NCc1cccc(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])c1 28898847 DSTNHNFVDNKYGF-UHFFFAOYSA-N 398.854 3.721 5 1 GHBF O=c1c2ccccc2oc2c([N+](=O)[O-])cc3[nH]c(CN4CCCCC4)nc3c12 29056765 JOSWBHKADVTGAZ-UHFFFAOYSA-N 378.388 3.717 5 1 GHBF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c([N+](=O)[O-])c1OC 26666230 QAQTVIRECIKEHP-QGZVFWFLSA-N 381.432 3.831 5 1 GHBF COc1ccc(-c2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)o2)c([N+](=O)[O-])c1 963121753 LCIGUWOAPYMTNP-HXUWFJFHSA-N 394.383 3.797 5 1 GHBF CC[C@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149866 BKOMRQLOZDESJY-AWEZNQCLSA-N 383.452 3.570 5 1 GHBF COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587788089 VHJLZBYWNZKNDW-UHFFFAOYSA-N 384.348 3.512 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1[N+](=O)[O-] 587139580 KOUJVXLDIWWKTN-UHFFFAOYSA-N 381.663 3.747 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(OCc3ccccc3)cc1)CC2 1772619315 NSHORQOFCYMJTI-LJQANCHMSA-N 395.415 3.738 5 1 GHBF Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1C 587266603 LLOZJIFATCCYPH-PIGZYNQJSA-N 385.380 3.530 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587745952 IQVDTHYCYJAKNU-HUTHGQBESA-N 393.212 3.933 5 1 GHBF C[C@@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574365 FUXQWPXMQJBONG-RXVVDRJESA-N 392.367 3.760 5 1 GHBF Nc1c(F)c(F)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1F 587137307 YROKMKWKUJTMAU-UHFFFAOYSA-N 387.115 3.900 5 1 GHBF O=c1nc(SCc2ccccc2)nc(SCc2ccccc2[N+](=O)[O-])[nH]1 72124726 VUCFBSJQULOLMA-UHFFFAOYSA-N 386.458 3.658 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)c(O)c4c2c1)CN1CCC[C@H]1[C@@H]3O 14824835 UFVLDMKDEPPHDO-UWJYYQICSA-N 395.455 3.736 5 1 GHBF biogenic O=[N+]([O-])c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1[N+](=O)[O-] 587076107 IYCWRQWZWIEJRG-HNNXBMFYSA-N 387.739 3.650 5 1 GHBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586919679 DLUJGAJPZGZNOX-UHFFFAOYSA-N 386.216 3.752 5 1 GHBF COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(I)c1 587180736 YKILOQHVFGAEGV-UHFFFAOYSA-N 395.156 3.751 5 1 GHBF C[C@@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(Sc2ccccc2)c1)C(F)(F)F 13760187 XZPAWUUMYRJOMW-OAHLLOKOSA-N 386.351 3.998 5 1 GHBF CC(C)CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 776282 AZAWRBHCUTXBCO-UHFFFAOYSA-N 389.408 3.662 5 1 GHBF CCN(CC)C(=O)c1ccc2oc3ccc(C(=O)N(CC)CC)cc3c(=O)c2c1 169315479 WXRXPDDXAQTTKI-UHFFFAOYSA-N 394.471 3.910 5 1 GHBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586961066 FKFPAHKCVJFHIC-SECBINFHSA-N 389.444 3.590 5 1 GHBF O=[N+]([O-])c1cc2c(cc1[C@H]1NCCc3c(Cl)cc(Cl)cc31)OCCO2 963112414 PLCWJQOWCLFHNF-KRWDZBQOSA-N 381.215 3.908 5 1 GHBF O=Nc1[nH]c(O)c(-c2ccc(O)c([N+](=O)[O-])c2)c1-c1ccc(O)c([N+](=O)[O-])c1 2356814417 JOXALXLPZGEBOM-UHFFFAOYSA-N 386.276 3.680 5 1 GHBF COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 28886419 UVQDTDRCGZOYIV-UHFFFAOYSA-N 386.360 3.951 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1 29340786 LEKPJUMQUPRAEL-LJQANCHMSA-N 382.376 3.814 5 1 GHBF COC(=O)c1ccc2nc3n(C)c4ccccc4c(NCCCN(C)C)c-3c2c1 103142091 WRHORFTWNLRZLA-UHFFFAOYSA-N 390.487 3.982 5 1 GHBF NC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 29570866 WRBSKZVVLIIMOI-UHFFFAOYSA-N 382.423 3.548 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261582 CLXLYZBVTXLYPW-HYVNUMGLSA-N 393.443 3.802 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)c(F)cc2[nH]1 587268427 XJJPVOMUSKDWFS-UHFFFAOYSA-N 382.193 3.741 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)c(Br)c2[nH]1 587269545 DNLFACOQKPZFQU-NSHDSACASA-N 379.189 3.615 5 1 GHBF O=[N+]([O-])c1ccc2ncnc(Nc3ccc(I)cc3)c2c1 653712789 LNOOPQPIUUGSCU-UHFFFAOYSA-N 392.156 3.886 5 1 GHBF COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c([N+](=O)[O-])c1 963636752 RYYJSCYSRMUWIW-YEJXKQKISA-N 386.448 3.613 5 1 GHBF COc1cc(-c2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 71318948 OFHSOWQFDVXYQY-UHFFFAOYSA-N 388.405 3.883 5 1 GHBF Cc1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)cc1[N+](=O)[O-] 586979480 DCHDOHAIJAAMPL-UHFFFAOYSA-N 376.166 3.938 5 1 GHBF COc1cc(-c2nc3cc(Br)c(C)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260929 LPAUNNLLAFUIMP-UHFFFAOYSA-N 393.197 3.621 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(Br)c1)O2 587377341 MMUXYWLIFZHODO-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OC(F)F 587383223 RQNBKPMNVLBBOH-CQSZACIVSA-N 394.330 3.802 5 1 GHBF COc1ccc(OC)c(/C=C/C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)c1 103197375 KTQSVVZKFGLRLY-OJWOGGGRSA-N 397.387 3.516 5 1 GHBF Cc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 221594649 PCCOKZOUDCXZMW-HOUBMWHVSA-N 399.450 3.916 5 1 GHBF CN1C(=O)C[C@H]2CN[C@]3(c4ccccc4-c4ccc([N+](=O)[O-])cc43)c3cccc1c32 963017277 CHWQKIVTQGRVBT-LFPIHBKWSA-N 397.434 3.920 5 1 GHBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 13863186 LOWGOAQVGBZRCX-NSHDSACASA-N 377.784 3.755 5 1 GHBF CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573202 IMOIJKGCRBIVJT-UHFFFAOYSA-N 375.181 3.572 5 1 GHBF biogenic CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135797 LYMCCVCGPUYXLA-AWEZNQCLSA-N 383.452 3.888 5 1 GHBF CC[C@H]1CC[C@@H](OC(=O)[C@H]2C(C)=NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719526 UGSGQZFMWQBJPK-MGHWNKPDSA-N 387.436 3.948 5 1 GHBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432874 MBWXRIYNCOHONU-SPLOXXLWSA-N 383.400 3.837 5 1 GHBF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587232859 DNOJZQIMDMUDBR-UWVGGRQHSA-N 391.384 3.540 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1[N+](=O)[O-] 587135084 RYBBOLYXWTWIAC-UHFFFAOYSA-N 388.258 3.891 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1Br)[C@@H](C2)C3=O 587411594 FGIUMKSGQSMYKN-APPDUMDISA-N 390.189 3.855 5 1 GHBF Cc1cc(C(=O)O)ccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 621476391 NDBAHFUBLYMBQN-UHFFFAOYSA-N 376.324 3.555 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(NC(C)=O)c([N+](=O)[O-])c1)CC2=O 587473500 WEXBYDBHOXWKFX-IBGZPJMESA-N 384.388 3.918 5 1 GHBF CCCC/C=C\CCCCC[C@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 219814699 JPNOKZQZVLXQNC-VXOKQSJXSA-O 386.553 3.527 5 1 GHBF in-vitro CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513940 VQXAMPQJYWLRJT-JOCHJYFZSA-N 395.411 3.897 5 1 GHBF CCS(=O)(=O)c1cccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 586922484 PAYXZYQJGFWURR-UHFFFAOYSA-N 379.825 3.509 5 1 GHBF Cc1cc(C)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 586926860 PYGBPQFYFRNBHK-UHFFFAOYSA-N 379.825 3.812 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(Br)c1)[C@@H](C2)C3=O 587413733 POXROUBYSQFUOO-APPDUMDISA-N 390.189 3.855 5 1 GHBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Br)c1N 587934217 DWQNMNWKNHBVJC-JTQLQIEISA-N 398.257 3.957 5 1 GHBF Cc1ccc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)o2)cc1[N+](=O)[O-] 962916186 CCNXODAVMNVUQE-YWZLYKJASA-N 396.374 3.991 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587431412 DYEABPIPGUVWOO-QKKBWIMNSA-N 376.368 3.883 5 1 GHBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962896155 JBZUTCIOCGUZTP-WMLDXEAASA-N 376.409 3.534 5 1 GHBF CN(CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C(=O)c1ccccc1 3814256 RZIQUKBPWNZKTF-UHFFFAOYSA-N 381.476 3.969 5 1 GHBF CCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1 27108980 ADNOBGSWYUSLKR-UHFFFAOYSA-N 381.436 3.929 5 1 GHBF CN(Cc1ccoc1)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 95577606 YKCYRZJPDVIQTO-UHFFFAOYSA-N 385.323 3.813 5 1 GHBF Cc1ccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)cc1[N+](=O)[O-] 299835146 KOWGTCCUOMQMFU-UHFFFAOYSA-N 386.385 3.555 5 1 GHBF O=C(O)c1cn2c3cc(Cl)c([N+](=O)[O-])cc3oc3c(F)c(F)cc(c1=O)c32 1772571840 HETLKJGMJGEELF-UHFFFAOYSA-N 394.673 3.737 5 1 GHBF O=C1CN(CCCCCN2CCc3ccccc3C2)c2ccc([N+](=O)[O-])cc2N1 103262737 SLGGOBYEVLYXAN-UHFFFAOYSA-N 394.475 3.582 5 1 GHBF O=[N+]([O-])c1ccccc1OC1[C@@H](Cn2ccnc2)CCC[C@@H]1Cn1ccnc1 40915475 RHRSDNZBNPXJIS-IAGOWNOFSA-N 381.436 3.552 5 1 GHBF CCc1cc2c(O)c([N+](=O)[O-])c(=O)oc2cc1OCCCOc1ccccc1 141197179 HWVBEQRLTFWDRR-UHFFFAOYSA-N 385.372 3.817 5 1 GHBF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1 587510391 AHZNVWODHCULDW-LJQANCHMSA-N 381.384 3.967 5 1 GHBF COc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC 587926879 LYUJIVNYGDGQMX-UHFFFAOYSA-N 392.209 3.842 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CCCO 13554116 LHYCLKRBIKAHMK-UHFFFAOYSA-N 383.407 3.695 5 1 GHBF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775802 UBRIFBQVPSVDIV-NSHDSACASA-N 395.843 3.701 5 1 GHBF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587239156 IOMGPRBXNUWRDS-UHFFFAOYSA-N 390.197 3.700 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)cnc3[nH]2)CC1 587270223 SQBNYRAGGYBAIN-UHFFFAOYSA-N 385.811 3.539 5 1 GHBF O=[N+]([O-])c1ccn(CCCc2nc3cccc(OCc4ccccc4)c3[nH]2)n1 587273302 JUXASPZALMEBNH-UHFFFAOYSA-N 377.404 3.879 5 1 GHBF CCCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148076 XMPXNMPXEFZGMW-UHFFFAOYSA-N 383.452 3.572 5 1 GHBF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587198828 RSZFKXOIFXCPKG-UHFFFAOYSA-N 387.399 3.997 5 1 GHBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587190064 FXPCNXZTAJBYIQ-HNNXBMFYSA-N 383.408 3.822 5 1 GHBF Cc1ccc(COc2ccccc2C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1 473119870 MXSQYFGPDYJNAB-UHFFFAOYSA-N 395.415 3.844 5 1 GHBF COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2cc([N+](=O)[O-])ccc12 587647744 NWOIZAOLWDNULY-UHFFFAOYSA-N 377.356 3.591 5 1 GHBF COc1cc(OCc2nc3ccc(F)c(Br)c3[nH]2)ccc1[N+](=O)[O-] 587262955 JOTKBDVTHRBZEO-UHFFFAOYSA-N 396.172 3.960 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)ccc1[N+](=O)[O-])CC2=O 587472572 KCMKOIJOSJWXJD-GOSISDBHSA-N 385.372 3.746 5 1 GHBF CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 28526816 CQGLKNOXIUXETG-MRXNPFEDSA-N 386.795 3.515 5 1 GHBF O=[N+]([O-])c1cccc(CSc2nc3nncc-3c(O)n2-c2ccccc2)c1 103903131 MOOYPXWGWRIRHD-UHFFFAOYSA-N 379.401 3.673 5 1 GHBF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586882531 XDQMIWGRFZZCNZ-VMPITWQZSA-N 388.177 3.998 5 1 GHBF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C(F)(F)C1 587132075 IOOCXKMYXFAYTM-QMMMGPOBSA-N 386.330 3.580 5 1 GHBF CC[C@@H]1C[N@+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 1857761808 NLSMUKLVXQHTTD-SUARRTLUSA-N 384.476 3.829 5 1 GHBF Cc1cc(F)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 587080309 TYSILZAYXHJNPA-UHFFFAOYSA-N 390.762 3.780 5 1 GHBF COc1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Br 586976022 BDSXVRQUNFKTRE-HWKANZROSA-N 375.182 3.808 5 1 GHBF Cc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1F 587079411 JPZSUNBEVOGWQF-UHFFFAOYSA-N 390.762 3.780 5 1 GHBF O=C([C@H]1Cc2ccccc2[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)N1)C(F)(F)F 962765198 MJQCLHLXXANOHE-ABAIWWIYSA-N 386.276 3.608 5 1 GHBF COc1cc(OC)c2c(=O)c3c(O)c4c(cc3oc2c1OC)OC(C)(C)C=C4 15148361 JWMHGOJQVCHOPS-UHFFFAOYSA-N 384.384 3.862 5 1 GHBF endogenous,in-man Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3cccc([N+](=O)[O-])c3)ccc12 49722624 KODQXMWZTUQUKO-IBGZPJMESA-N 382.397 3.788 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587268374 UEDIEGUWKQZYIC-UHFFFAOYSA-N 387.403 3.936 5 1 GHBF Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577941 UWYTXRBLHYTDBE-LAUBAEHRSA-N 392.367 3.881 5 1 GHBF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575606 JQOUWTNAGRKAPM-WIYYLYMNSA-N 391.335 3.816 5 1 GHBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)CC(=O)c1cccc([N+](=O)[O-])c1 963632085 FJVQELMKYWRBLJ-ZSEKCTLFSA-N 384.432 3.634 5 1 GHBF O=[N+]([O-])c1ccc(CNc2nc(NCc3cccc(F)c3)nc3[nH]cnc23)cc1 89455107 SUBCFFCOIUCDQV-UHFFFAOYSA-N 393.382 3.624 5 1 GHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3c(cc2[nH]1)OCCO3 587108861 BMERVIYARRTHES-UHFFFAOYSA-N 379.294 3.852 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c([N+](=O)[O-])c1 587265082 SJDCHJXIRPYUET-UHFFFAOYSA-N 395.144 3.872 5 1 GHBF O=C(O)c1cc(Br)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270976 YXFUUGMLAZORSI-UHFFFAOYSA-N 390.193 3.717 5 1 GHBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962628195 HAGMSPXDJASDHA-ASSNKEHSSA-N 386.448 3.977 5 1 GHBF CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccccc1 1551094 RSVDVGJNFNAQKT-UHFFFAOYSA-N 395.459 3.883 5 1 GHBF COc1cc(CCNCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Br 13737386 OJNDNXRWOZBLRB-UHFFFAOYSA-N 395.253 3.707 5 1 GHBF COc1ccc(-c2ccc([C@H]3NCCc4nc5ccccn5c43)o2)cc1[N+](=O)[O-] 962988302 XYJZAVYWPBYMIB-HXUWFJFHSA-N 390.399 3.746 5 1 GHBF Cc1ccc2c(=O)c3c(oc2c1)N1C[C@@H]2CCC[N@+]4([O-])CCC[C@@H]([C@H]24)[C@H]1CC3 1857614867 LFXVPQCJXMEBKO-DPODXQFOSA-N 380.488 3.739 5 1 GHBF CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 28526769 CZWXCISCWSFVSM-MRXNPFEDSA-N 386.795 3.515 5 1 GHBF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587646681 GWDCQWHXXRNCAN-UHFFFAOYSA-N 394.387 3.554 5 1 GHBF COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)c(CCC(=O)O)c23)cc1 299869334 UKZNNPHDFJNBKR-UHFFFAOYSA-N 399.359 3.544 5 1 GHBF Cc1cc2c(cc1F)[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)NCC2 962090210 HOZYVVVNMZWPHF-KRWDZBQOSA-N 385.424 3.547 5 1 GHBF C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978567 DKLDLVBOAWNIDS-INIZCTEOSA-N 381.171 3.700 5 1 GHBF Cc1cc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1[N+](=O)[O-] 587150952 WAKBRXIAWCSOMX-GFCCVEGCSA-N 386.358 3.574 5 1 GHBF Cc1cnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587743656 BAWQVSFVEZWOMB-QGHHPUGFSA-N 394.244 3.998 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)ccc1O 1857564694 IJBWZLKLPSKEQH-SOUCDSKHSA-N 383.448 3.655 5 1 GHBF CCN(CC)CCn1nc2c3cccc(O)c3sc3c(NCCN)ccc1c32 29334419 SDWIIZMFYPMGRB-UHFFFAOYSA-N 397.548 3.822 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C[N+](=O)[O-] 587575082 IHVUUYFEUGPBTJ-DENIHFKCSA-N 391.379 3.612 5 1 GHBF Cc1ccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1N 587251066 XSOCHJCEURZNKS-UHFFFAOYSA-N 375.226 3.909 5 1 GHBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccc(Br)cc1 72175186 WSLATOYWBPWNIP-AYLMVEPYSA-N 394.225 3.507 5 1 GHBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C2 586886380 PJRNHRWCISBKGF-LPEHRKFASA-N 376.210 3.872 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@@]3(c4ccccc4-c4ccc([N+](=O)[O-])cc43)c3cccc1c32 963017285 CHWQKIVTQGRVBT-SHACYNPGSA-N 397.434 3.920 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587271039 XVGUFZDJHNOSTR-JTQLQIEISA-N 397.179 3.754 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2[N+](=O)[O-])N1 587746347 JPPCDDYPUANDCN-JDNHERCYSA-N 380.217 3.689 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1[N+](=O)[O-])O2 587376535 JBFJJXSRXXKKIP-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CCN1C 95589848 FPXFGQWJDCLQGG-CYBMUJFWSA-N 388.855 3.641 5 1 GHBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])cnc3O)nc3ccc(O)c1c23 586987171 KRFYDMHCDFSCCE-UHFFFAOYSA-N 385.335 3.828 5 1 GHBF C[C@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O 1772580550 OOEYCYRNAHHRGX-WHLCRQNOSA-N 399.428 3.543 5 1 GHBF C[C@H](Nc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1)c1ccccc1 28898628 KOLPTTNAAHLCKG-FHERZECASA-N 384.484 3.735 5 1 GHBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1CO 1857765385 BDIGVJQSNTVCKR-KRWDZBQOSA-N 395.381 3.792 5 1 GHBF CS(=O)(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270555 VNNVPKFKZCLBIJ-UHFFFAOYSA-N 394.412 3.604 5 1 GHBF Cc1cc(C)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587265509 FWJAVZAUECGXSD-APPDUMDISA-N 385.380 3.530 5 1 GHBF CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-] 13132570 OLWNCVCXQCBLHB-USTZCAOPSA-N 391.374 3.667 5 1 GHBF Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(Br)cc1[N+](=O)[O-] 586979533 FHCRNZDEFISIJI-UHFFFAOYSA-N 390.193 3.980 5 1 GHBF O=[N+]([O-])c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587017021 GQDWYHSSVIIIRK-UHFFFAOYSA-N 394.412 3.957 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](C2)C3=O 587431846 HLZSCWPHJQTUTG-KKSFZXQISA-N 380.400 3.692 5 1 GHBF CNC(=O)c1cc2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c12)OCO4 40860575 AEGXWAMXLFRXDC-UHFFFAOYSA-N 390.395 3.647 5 1 GHBF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O 587635700 LUHOCQWBPXFNKT-UHFFFAOYSA-N 386.335 3.637 5 1 GHBF O=C([C@H]1Cc2ccccc2[C@H](c2c(F)ccc([N+](=O)[O-])c2F)N1)C(F)(F)F 962765201 MJQCLHLXXANOHE-IAQYHMDHSA-N 386.276 3.608 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(-c3ccc(F)cc3)cc1)C2 473131276 NWDHEZUYTDXIFB-HNNXBMFYSA-N 383.379 3.823 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587177022 ZRFOVGSNBHATJH-UHFFFAOYSA-N 376.145 3.916 5 1 GHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)nn2)c1 587269641 KTGPFXCZCLSGQZ-UHFFFAOYSA-N 392.272 3.877 5 1 GHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 587109308 HGOUNCZSKNXRGA-UHFFFAOYSA-N 377.282 3.663 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Br)c(F)c2[nH]1 587269485 OMGIBCCNBUAIGF-UHFFFAOYSA-N 394.156 3.764 5 1 GHBF NCCCNCCCCNCCCNCc1c2ccccc2cc2ccccc12 13522168 WLLSCIFFJVWWDL-UHFFFAOYSA-N 392.591 3.781 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587744335 DEJPLERGLGTIIN-XYZCENFISA-N 394.244 3.876 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)nc(C)cc2[nH]1 587264871 UVXBIDQEVBKADT-LBPRGKRZSA-N 384.392 3.834 5 1 GHBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C2 586886379 PJRNHRWCISBKGF-GUBZILKMSA-N 376.210 3.872 5 1 GHBF CCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC 26259700 YIRGVENDLNIQSF-UHFFFAOYSA-N 382.521 3.916 5 1 GHBF CCOc1ccccc1[C@](N)(c1nc2cccc([N+](=O)[O-])c2[nH]1)C(F)(F)F 587093597 VNWWMWNNTAXFIP-INIZCTEOSA-N 380.326 3.634 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587088530 OGWGWNFGXFOVCS-QMMMGPOBSA-N 387.184 3.983 5 1 GHBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cccc(O)c2)cc1 13584454 ZSFUDOXZZXEQIM-UHFFFAOYSA-N 393.428 3.781 5 1 GHBF O=c1nc2n(-c3ccc(Cl)cc3)c3cccc(C(F)(F)F)c3cc-2c(=O)[nH]1 96286454 BWCGEEAHYQFUJF-UHFFFAOYSA-N 391.736 3.851 5 1 GHBF O=[N+]([O-])c1cc(N[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)ccc1CO 1857775157 BTJYWLUQUFSVIG-GOSISDBHSA-N 380.448 3.645 5 1 GHBF COCCNc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1[N+](=O)[O-] 587262613 YZGVURUWBYHHTR-UHFFFAOYSA-N 392.318 3.518 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)O2 587391779 YTVAVFAHTRTDNU-GOSISDBHSA-N 396.403 3.647 5 1 GHBF Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577943 UWYTXRBLHYTDBE-UTKZUKDTSA-N 392.367 3.881 5 1 GHBF O=[N+]([O-])c1cc(Br)cnc1-n1nc2cc1Oc1ccc(F)cc1-2 587872084 GPXHJSFJKGVEEU-UHFFFAOYSA-N 377.129 3.850 5 1 GHBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Br)cn1 13282174 BJPWKDYDFZPDDP-CQSZACIVSA-N 380.223 3.531 5 3 GHBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586998804 OXCFDSWRIPXHLO-OWOJBTEDSA-N 389.165 3.528 5 1 GHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c1 587269547 FQFBMFLSAWMGQW-UHFFFAOYSA-N 386.293 3.961 5 1 GHBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cn1 587657077 SLALNPAUYCFMLY-UHFFFAOYSA-N 380.310 3.634 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(F)c2[nH]1 587268193 NTFFNZRGBHWEGT-UHFFFAOYSA-N 382.193 3.741 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@H]3N 73311258 APVPVNBXIGXWDS-WMZHIEFXSA-N 378.472 3.997 5 1 GHBF COc1c(F)ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1N 587134159 JSPVUMFTDIUQGT-UHFFFAOYSA-N 381.161 3.631 5 1 GHBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c3cccnc3c3ncccc3c2[nH]1 587225755 SQULRKIXLCEPMA-CQSZACIVSA-N 397.438 3.743 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587262709 HNEJPUYWMQSFEH-JTQLQIEISA-N 399.359 3.521 5 1 GHBF COc1cc(-c2nc3c(C)c(Br)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260835 IEHUCHMITMKXSQ-UHFFFAOYSA-N 393.197 3.621 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](O)CN1C3 95554000 PYOOBNNMRMMLBP-KGLIPLIRSA-N 379.456 3.510 5 1 GHBF CCCC/C=C\CCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 219814573 JPNOKZQZVLXQNC-IDPBEMBBSA-O 386.553 3.527 5 1 GHBF in-vitro CC[C]1C=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)C=C1 2356821048 SWDXGNAKQCWENH-UHFFFAOYSA-N 397.192 3.710 5 1 GHBF O=[N+]([O-])c1cccc(CN[C@H]2CCCC[C@H]2NCc2cccc([N+](=O)[O-])c2)c1 66080343 GCIKAONTUQAVCN-BGYRXZFFSA-N 384.436 3.694 5 1 GHBF Cc1[nH]nc2c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(nc3c(c1N)CCCC3)O2 299820195 FJQIIQSBWBYLRA-INIZCTEOSA-N 377.404 3.768 5 1 GHBF C[C@]1(COc2cccc(-c3ccc(F)cc3)n2)CCn2cc([N+](=O)[O-])nc2O1 1772605696 XCQAHAXFZZYKIZ-LJQANCHMSA-N 384.367 3.613 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1[C@H](CO)CC3 14945594 YPDLMDMBCACZDE-LBPRGKRZSA-N 395.418 3.792 5 1 GHBF CC[C@H]1C[N@+]2([O-])CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1/C(=C\OC)C(=O)OC 1857552381 NLSMUKLVXQHTTD-RLEIQMBXSA-N 384.476 3.829 5 1 GHBF COc1cc(-c2nc3cccc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261041 QKZITTCCZLJILW-UHFFFAOYSA-N 378.182 3.918 5 1 GHBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587264852 KQNKQBWKZYJSIH-JTQLQIEISA-N 384.289 3.577 5 1 GHBF O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(-c3ccc(F)cc3)c(F)cc2c1=O 299822715 CBNPFILUDGCBKG-UHFFFAOYSA-N 386.310 3.888 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587749455 YDXLXRBHASQLEP-XYZCENFISA-N 395.228 4.000 5 1 GHBF CN(C)CCOc1cc2c(cc1[N+](=O)[O-])[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 169353034 KWNAVKGVTDFJCD-HIFDQRORSA-N 388.508 3.752 5 1 GHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc([N+](=O)[O-])c1 587871706 NNXGVVNYALXJJC-UHFFFAOYSA-N 385.351 3.715 5 1 GHBF CC(=O)OCCCc1cc(Sc2cc(C)cc(C)c2)c([N+](=O)[O-])c(=O)[nH]1 5892131 RNOAEAPNZUVOPC-UHFFFAOYSA-N 376.434 3.547 5 1 GHBF O=[N+]([O-])c1ccc(OC2[C@@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(F)c1 40861164 WCZGKUJBGXNQGS-HZPDHXFCSA-N 399.426 3.691 5 1 GHBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CO3)cc(OC[C@@H]3CO3)c12 45385080 BHVDSBABVCNPTK-HOTGVXAUSA-N 390.391 3.655 5 1 GHBF COc1cc(Nc2c3ccccc3nc3ncccc23)ccc1NS(C)(=O)=O 169323996 MQNAAUZFACJZSN-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1F 587160975 JPNIDBKLWBUYQG-UHFFFAOYSA-N 390.737 3.710 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Cl)nc3[nH]2)CC1 587269139 HELXUPDDAYXPCE-UHFFFAOYSA-N 385.811 3.539 5 1 GHBF COc1ccc2c(CN3CCC[C@H](CO)C3)cc3cc4c(cc3c2c1)OCO4 43020274 WPWHRJZTBKMSSX-HNNXBMFYSA-N 379.456 3.935 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587746395 JUJKRLYUJNLGRX-HUTHGQBESA-N 395.228 4.000 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2[N+](=O)[O-])N1 587746345 JPPCDDYPUANDCN-ABKXIKBNSA-N 380.217 3.689 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl 587005405 HULWJSXBTBNAJX-UHFFFAOYSA-N 388.996 3.997 5 1 GHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)n1 587274472 WIXWXRCHSBONIK-UHFFFAOYSA-N 389.721 3.852 5 1 GHBF COc1ccccc1[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2ccc(O)cc21 963339918 CQDXMZPPQSAZDT-QFIPXVFZSA-N 376.412 3.747 5 1 GHBF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ncccc12 5138632 ZBTMMMPMDJLYNC-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF O=[N+]([O-])c1ccc2nc(NCc3ccncc3)c(NCc3ccncc3)nc2c1 72109750 APKBDXQNVFDHFF-UHFFFAOYSA-N 387.403 3.552 5 1 GHBF CC[C@@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135593 HQVXCNFTXLKCCK-CYBMUJFWSA-N 383.452 3.935 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)nn1CC(F)(F)F 587092200 OAULUCKSVSHFQK-UHFFFAOYSA-N 381.101 3.599 5 1 GHBF Cc1ccnc2c1CCN[C@H]2c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 963073579 VVGMOSXBJFSSAN-FQEVSTJZSA-N 391.427 3.818 5 1 GHBF O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 4684017 MBWRHNYGDKZGQQ-GJZGRUSLSA-N 383.429 3.724 5 1 GHBF COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccccc2)nn1 299858285 DOAAXNWTXPRRIZ-UHFFFAOYSA-N 396.450 3.851 5 1 GHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1[N+](=O)[O-] 587868461 LTEXYIKKSHOTOC-UHFFFAOYSA-N 392.293 3.569 5 1 GHBF O=C(O)CSc1ncccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586968183 LHVBMPYCKUVEMA-UHFFFAOYSA-N 387.424 3.898 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 587264647 OXAOXDIARGJFHW-UHFFFAOYSA-N 382.254 3.869 5 1 GHBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)cc1 587271863 JYBKARJYGPLQEW-UHFFFAOYSA-N 399.370 3.906 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747166 MTAAAAZVYMPIPB-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2[N+](=O)[O-])N1 587753922 XDBJWWGBBOCLFL-JDNHERCYSA-N 380.217 3.689 5 1 GHBF O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(Cl)cc2Cl)c(Br)n1 66076677 AFCBAEYVYZLCQC-SECBINFHSA-N 381.013 3.594 5 1 GHBF O=[N+]([O-])c1cn2c(n1)CC[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 40899733 OJWQBZQVYWYVJU-IBGZPJMESA-N 379.416 3.902 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587744365 DRNRDAGYVGULJC-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF O=C1C[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)Oc2c1ccc1c2CCCC1 587511228 OBGZBELRFARPDO-NRFANRHFSA-N 381.384 3.505 5 1 GHBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1[N+](=O)[O-] 587262552 WVJXPNDNKSEQCM-UHFFFAOYSA-N 381.314 3.610 5 1 GHBF CCCCNC[C@@H](O)COc1cc(OC(C)C)c2c(=O)c3ccccc3oc2c1 1772651428 NBSRCDRAQYSIQQ-MRXNPFEDSA-N 399.487 3.863 5 1 GHBF Cc1cc([N+](=O)[O-])cnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661533 QAVZBRZGTNWSFR-UHFFFAOYSA-N 376.347 3.803 5 1 GHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587270872 VLBJOYFTDCSSGX-UHFFFAOYSA-N 397.192 3.704 5 1 GHBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)c2c[nH]nc2N1 64436587 FBPRNPVGXPOLEZ-GOSISDBHSA-N 375.388 3.788 5 1 GHBF COc1cc(/C=C/c2ccc3c(C(C)=O)ccc(O)c3n2)cc([N+](=O)[O-])c1O 43208301 IBJUHQGJDSSOOS-ONEGZZNKSA-N 380.356 3.936 5 1 GHBF in-vivo O=[N+]([O-])c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587002926 QIUKYDQWVGXAIQ-UHFFFAOYSA-N 386.209 3.826 5 1 GHBF FC(F)c1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cnc2ncnn12 587128080 GGCJIOZYMDCFNX-UHFFFAOYSA-N 388.341 3.702 5 1 GHBF O=[N+]([O-])c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Cl 587085497 WSBLIDWUHJQOOD-UHFFFAOYSA-N 393.234 3.952 5 1 GHBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)cc1 587271555 FMHLYHBLJDVGHN-UHFFFAOYSA-N 381.373 3.715 5 1 GHBF C[C@@]1(c2ccncc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575092 IINNMYPXOLTTFD-PXNSSMCTSA-N 378.340 3.572 5 1 GHBF CC(C)(C)OC(=O)N1[C@H](COc2ccc([N+](=O)[O-])cc2)COC12CCCC2 1857636858 QNVFRNLDFUUXIR-OAHLLOKOSA-N 378.425 3.880 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COCc1ccc(-c3ccc(F)cc3)cc1)C2 473131277 NWDHEZUYTDXIFB-OAHLLOKOSA-N 383.379 3.823 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)nn1CC(F)(F)F 587093098 VCFKGQONXQMEEE-UHFFFAOYSA-N 381.648 3.829 5 1 GHBF CC(C)Oc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587276317 KMAJCOGYUDXAMO-SECBINFHSA-N 394.229 3.827 5 1 GHBF CC(C)N(CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23)C(C)C 100754235 HDQRECDOVXWWAJ-UHFFFAOYSA-N 378.476 3.675 5 1 GHBF Cc1c(Br)cnc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12 587158754 HXXKPEUNAIUIFY-UHFFFAOYSA-N 381.161 3.655 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2[N+](=O)[O-])N1 587749818 ZMFVZVDGDUAOMQ-JDNHERCYSA-N 380.217 3.689 5 1 GHBF COc1ccc(-c2ccc([C@H]3NCCc4c(C(=O)O)cccc43)o2)c([N+](=O)[O-])c1 963121750 LCIGUWOAPYMTNP-FQEVSTJZSA-N 394.383 3.797 5 1 GHBF Cc1cccc2c(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc(=O)oc12 71335143 LJZDFPCDMUKWOX-UHFFFAOYSA-N 395.396 3.801 5 1 GHBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(C(F)(F)F)cc1 73156652 CQXXTFQXVYVGGA-HSZRJFAPSA-N 376.337 3.536 5 1 GHBF COc1cc(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])c2)cc(OC)c1OC 299830889 YWAOIWCPZZUVHV-UHFFFAOYSA-N 382.372 3.642 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587270886 SSDPQNSQTJKUDQ-SFHVURJKSA-N 386.411 3.945 5 1 GHBF COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(C(C)C)cc2)c1=O 1772576411 TWUFIEHJRMSRIN-UHFFFAOYSA-N 380.400 3.868 5 1 GHBF COc1cc2c(cc1OC)[C@@H](c1cccc(-c3cccc([N+](=O)[O-])c3)n1)NCC2 1857578969 UTFUJJTYIAEWGH-QFIPXVFZSA-N 391.427 3.909 5 1 GHBF O=c1c2cc(Cl)ccc2cnn1-c1ccc(Br)cc1[N+](=O)[O-] 587651768 YYCPGSDIWSRBCU-UHFFFAOYSA-N 380.585 3.710 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747165 MTAAAAZVYMPIPB-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3)(c3ccccc3[N+](=O)[O-])c3cccc1c32 963018856 FAMHEJFOXQLMQC-GYCJOSAFSA-N 399.450 3.940 5 1 GHBF COc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1 587148939 NEMHNPLGDZYUDI-UHFFFAOYSA-N 380.173 3.972 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2=O 587473136 QEZWJROZCSJLEH-QGZVFWFLSA-N 387.388 3.977 5 1 GHBF O=c1c2ccc(OCCN3CCOCC3)cc2[nH]c2ccc(Cl)c(Cl)c12 1857573208 PXMQBGCGHFSUEE-UHFFFAOYSA-N 393.270 3.699 5 1 GHBF O=c1c2ccc(O)cc2oc2cc(OCCCCCCO[N+](=O)[O-])cc(O)c12 1857630541 ZZILMHKIZRZNML-UHFFFAOYSA-N 389.360 3.505 5 1 GHBF Cc1ccccc1CCNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1 28898790 CJZCITRTCZYOMY-UHFFFAOYSA-N 398.511 3.525 5 1 GHBF CCN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82136191 PWLNCPCUVYGRJD-UHFFFAOYSA-N 391.431 3.756 5 1 GHBF COCCNc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587261528 CYBSJVMYLCQJIP-UHFFFAOYSA-N 396.382 3.521 5 1 GHBF COc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4cccnc4)c3[nH]c12 49055734 OACIHMFSNUGJSV-UHFFFAOYSA-N 379.803 3.991 5 1 GHBF O=C(Nc1nnc(-c2nc3c(ccc4ccccc43)oc2=O)o1)c1ccccc1 73240232 JUWGJPAAGGXRTF-UHFFFAOYSA-N 384.351 3.644 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COc1ccc([N+](=O)[O-])cc1 587575356 JOZHIEFVEYXVPB-MOPGFXCFSA-N 393.351 3.710 5 1 GHBF O=C(CCCS(=O)(=O)Cc1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 587280485 YHHFMGGSKFUWTR-UHFFFAOYSA-N 387.413 3.919 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)CC3 42989636 JVKKDZFPMOKGLY-LBPRGKRZSA-N 395.418 3.551 5 1 GHBF N[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587156649 ORSBWHVBLBLTGP-HWPZZCPQSA-N 391.200 3.714 5 1 GHBF Nc1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1 587937311 PZNCQAFJYCJVAU-UHFFFAOYSA-N 390.193 3.808 5 1 GHBF CCN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135976 COHFKQXZKFPQLA-UHFFFAOYSA-N 383.452 3.888 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587748499 VDJVEFGNIQGDQS-XLFHBGCDSA-N 394.244 3.876 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261586 CLXLYZBVTXLYPW-PVAVHDDUSA-N 393.443 3.802 5 1 GHBF CCCc1nc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)nn1-c1ccccc1F 587156867 UPSUKLLVXHFIIO-UHFFFAOYSA-N 384.346 3.950 5 1 GHBF COCCOc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587265681 QAAMBCAUJJWHLW-UHFFFAOYSA-N 392.755 3.725 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587749482 YMTUZOYYYVIOED-XYZCENFISA-N 395.228 4.000 5 1 GHBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1cccc(Br)c1 72175590 FTDOPOVRDGPMBX-XUIVZRPNSA-N 394.225 3.507 5 1 GHBF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136084 LDCGYGYYKLQRKG-GASCZTMLSA-N 397.479 3.626 5 1 GHBF CC(C)=CCc1c(O)ccc2oc3cc4c(c(O)c3c(=O)c12)C[C@@H](C(C)(C)O)O4 141616811 HIBPLKXWGGNNEY-SFHVURJKSA-N 396.439 3.941 5 1 GHBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncccc4[nH]3)cc2)nc1C(F)(F)F 587119078 VNXHCLMGDMEOEV-UHFFFAOYSA-N 388.309 3.797 5 1 GHBF Cc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1[N+](=O)[O-] 962669671 QBHWAZVYGZISOI-DENIHFKCSA-N 391.427 3.639 5 1 GHBF CCOC(=O)CCCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 653717168 VAJBRJNIUMNPRW-UHFFFAOYSA-N 383.404 3.715 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccnc(Cl)c2[nH]1 587263881 OTJFZOKUSBTAEM-SECBINFHSA-N 390.783 3.871 5 1 GHBF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2483345 HINRWSNVJFOJJM-UHFFFAOYSA-N 389.408 3.806 5 1 GHBF COCCNc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587262290 PVCNZKCHFZXAKH-UHFFFAOYSA-N 382.207 3.898 5 1 GHBF COc1cc(Cl)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587065634 WCIKHJHARJOYNA-UHFFFAOYSA-N 379.731 3.664 5 1 GHBF O=c1nc(SCc2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 72124869 AZDZBZFUDDHCPQ-UHFFFAOYSA-N 386.458 3.658 5 1 GHBF COC(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1OC 587138909 BGXULIWXOPDSTB-UHFFFAOYSA-N 379.731 3.726 5 1 GHBF Cc1c(O)ccc2c1[C@H](c1ccc([N+](=O)[O-])c(Cl)c1Cl)N[C@H](C(=O)O)C2 963474088 ULOVUZXIVVJWCZ-QFYYESIMSA-N 397.214 3.604 5 1 GHBF CN(C)CCCNC(=O)CCCn1c2ccccc2c2nc3ccccc3nc21 1772637351 PGMINBCXXCZHGD-UHFFFAOYSA-N 389.503 3.586 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc3c(c2[nH]1)CCCC3 587117803 LMPIPCZOGAAHDO-UHFFFAOYSA-N 379.342 3.922 5 1 GHBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587273483 BLUTYGPFLMRPDS-UHFFFAOYSA-N 390.119 3.653 5 1 GHBF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC2=O 587472113 YIMVLTQMURSWTE-YLJYHZDGSA-N 385.420 3.969 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661953 UVLRDDUEYBCJJN-UHFFFAOYSA-N 389.342 3.799 5 1 GHBF Cc1cnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587743650 BAWQVSFVEZWOMB-BTDLBPIBSA-N 394.244 3.998 5 1 GHBF Cc1ccc(CN2CCCC[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 200053919 WYXXCPKMMFYZIM-IBGZPJMESA-N 396.447 3.606 5 3 GHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587160184 KWHCJJWFJNXEQR-UHFFFAOYSA-N 381.117 3.948 5 1 GHBF Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1C 587267030 SLUSODJJZOHRKS-PIGZYNQJSA-N 385.380 3.530 5 1 GHBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1c1ccccc1 45318705 AEEPDKDJNNRIBZ-HNNXBMFYSA-N 381.417 3.923 5 1 GHBF O=C(N[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc(Cl)cc1[N+](=O)[O-] 299819581 IHFKUUHNHKRBIO-QKDCVEJESA-N 389.839 3.767 5 1 GHBF C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586963308 ZRGQNLRUKSUUSH-SSDOTTSWSA-N 380.227 3.877 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587117959 YKABXTHHVZESRI-UHFFFAOYSA-N 395.128 3.745 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261516 CCNLHJAGFDDIRF-FKTZTGRPSA-N 389.761 3.896 5 1 GHBF Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1C 587267028 SLUSODJJZOHRKS-DIFFPNOSSA-N 385.380 3.530 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587746400 JUJKRLYUJNLGRX-XYZCENFISA-N 395.228 4.000 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587749453 YDXLXRBHASQLEP-VVVCHXIZSA-N 395.228 4.000 5 1 GHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587645903 OAVDLZCRCFLEKL-UHFFFAOYSA-N 397.391 3.716 5 1 GHBF Nc1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 13584456 HLUWLTFCWJMGDT-UHFFFAOYSA-N 392.444 3.657 5 1 GHBF O=C1CCC(c2ccccc2)(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 586877522 BNSWCNVMCKLHCM-UHFFFAOYSA-N 380.360 3.809 5 1 GHBF Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1C 587266602 LLOZJIFATCCYPH-GTNSWQLSSA-N 385.380 3.530 5 1 GHBF COc1cc(Nc2c3ccccc3nc3ccncc23)ccc1NS(C)(=O)=O 169323991 HKJATJMWZYHPEZ-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 29477563 ZMAILMAHUAIISP-IURMSMQVSA-N 383.448 3.583 5 1 GHBF NC1CCN(Cc2c(-c3ccc(Cl)nc3)[nH]c3cccc([N+](=O)[O-])c23)CC1 587644807 CCDJDSKDAPAFKH-UHFFFAOYSA-N 385.855 3.715 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2[N+](=O)[O-])N1 587753923 XDBJWWGBBOCLFL-XXFAHNHDSA-N 380.217 3.689 5 1 GHBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845688 OOJZICCVLMYSBQ-QHAWAJNXSA-N 379.460 3.969 5 1 GHBF Cc1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2cc1[N+](=O)[O-] 586998017 WDZFMGFXUZJEAX-GFCCVEGCSA-N 375.226 3.785 5 1 GHBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587203843 MSHIGOXVDJLGNP-GOSISDBHSA-N 388.471 3.948 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COc1ccc([N+](=O)[O-])cc1 587575362 JOZHIEFVEYXVPB-RBUKOAKNSA-N 393.351 3.710 5 1 GHBF CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@H]1C[N+](=O)[O-])OCO3 1857754082 MINHRQVIKPVBJR-OAHLLOKOSA-N 392.367 3.732 5 1 GHBF CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)nc23)CC1 13523658 HQXYOWRNDBMCID-UHFFFAOYSA-N 379.420 3.533 5 1 GHBF O=C(Nc1ccccc1[N+](=O)[O-])C(Br)(C(F)(F)F)C(F)(F)F 68574005 VYCCQXRCSYSJJN-UHFFFAOYSA-N 395.053 3.792 5 1 GHBF biogenic Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c([N+](=O)[O-])cc1F 587136619 HNQPZZLPGWALTJ-UHFFFAOYSA-N 383.305 3.969 5 1 GHBF COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261156 WLYGQVISXBUTCJ-UHFFFAOYSA-N 378.728 3.717 5 1 GHBF Cc1cc(Br)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269206 IKHGLMIGBBWBQE-UHFFFAOYSA-N 399.208 3.790 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(O)c1 587578680 WRXYCKXUYXJWQJ-PXNSSMCTSA-N 379.324 3.709 5 1 GHBF C[C@@]1(c2cccc(C(F)(F)F)c2[N+](=O)[O-])N[C@H](C(=O)O)Cc2cc(F)ccc21 962901818 SHIRVGBBZKGTDG-WMLDXEAASA-N 398.312 3.615 5 1 GHBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 27554942 HMFQDQWWBMGIAU-NSHDSACASA-N 377.784 3.755 5 1 GHBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccc(Br)cc1 72175187 WSLATOYWBPWNIP-BWNDKRECSA-N 394.225 3.507 5 1 GHBF CC[C@H]1CC[C@@H](OC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719525 UGSGQZFMWQBJPK-PILAGYSTSA-N 387.436 3.948 5 1 GHBF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C2 586886455 PVLCGCWTDMJFDH-GUBZILKMSA-N 376.210 3.872 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1[N+](=O)[O-])O2 587376537 JBFJJXSRXXKKIP-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF COc1cc2c(cc1OC)[C@@](C)(CC(=O)c1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C2 962643400 WYINPOIFIMBANE-JLCFBVMHSA-N 398.459 3.977 5 1 GHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587160454 SIWSPKCZENMEHS-UHFFFAOYSA-N 389.286 3.571 5 1 GHBF C[C@@H](OC(=O)c1ccccc1N)c1cccc2nc3c(C(=O)O)cccc3nc12 2356874929 ZXBLICLASCFKAG-GFCCVEGCSA-N 387.395 3.981 5 1 GHBF O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 66080348 KRGUNKABNQYYST-BGYRXZFFSA-N 384.436 3.694 5 1 GHBF NCCCCCCCNc1nc(NCc2ccccc2Cl)ncc1[N+](=O)[O-] 28898867 ZHRPDCBTUCUNAX-UHFFFAOYSA-N 392.891 3.971 5 1 GHBF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc12 96905458 AXFLFHWJPOLNDO-LJQANCHMSA-N 381.413 3.523 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261521 CCNLHJAGFDDIRF-QNSHHTMESA-N 389.761 3.896 5 1 GHBF Cc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1[N+](=O)[O-] 962669674 QBHWAZVYGZISOI-KNQAVFIVSA-N 391.427 3.639 5 1 GHBF COc1ccc(CCn2cnc3nc4ccc(Cl)cc4cc3c2=O)cc1OC 203467112 RSIAKWFVHVDCMH-UHFFFAOYSA-N 395.846 3.858 5 3 GHBF O=[N+]([O-])c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)nn1CC(F)(F)F 587092462 PHQCMVSPPPBJKZ-UHFFFAOYSA-N 381.101 3.599 5 1 GHBF COC(=O)c1cccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c12 586980184 QAKDHSQTBYYPST-UHFFFAOYSA-N 390.193 3.996 5 1 GHBF COc1ccc(C(=O)c2c(C)n(CC[N+]3(C)CCOCC3)c3ccccc23)cc1 13742534 XNGGKKVXOPZGNV-UHFFFAOYSA-N 393.507 3.666 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COCc1ccc(OCc3ccccc3)cc1)C2 115609332 DKBRVRXAPWANPM-GOSISDBHSA-N 395.415 3.596 5 1 GHBF O=C([C@@H]1Cc2ccccc2[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)N1)C(F)(F)F 962765203 MJQCLHLXXANOHE-NHYWBVRUSA-N 386.276 3.608 5 1 GHBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 587271995 MUPNPGNXNYVWBX-UHFFFAOYSA-N 399.370 3.906 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccc([N+](=O)[O-])cc1C2 587576513 OWLZUKYCPYNCTL-UGKGYDQZSA-N 389.363 3.800 5 1 GHBF O=[N+]([O-])c1cc([N+](=O)[O-])c2c(=Nc3ccccc3)n(-c3ccccc3)n(O)c2c1 263591968 BBEUAARULYIQOL-UHFFFAOYSA-N 391.343 3.718 5 3 GHBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C(=O)OC)cc([N+](=O)[O-])c2)N1 962941363 DROULMLFIPWQFG-AUUYWEPGSA-N 379.416 3.876 5 1 GHBF COCC[N+]1(C)CCC[C@@H](C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 28460012 AUIUWDZZXQWWOQ-JGHKVMFLSA-N 392.541 3.994 5 1 GHBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962760474 FEQSLLFMYWUFAF-SUMWQHHRSA-N 382.313 3.643 5 1 GHBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 27555786 DUUULCZHOOURRO-LLVKDONJSA-N 377.784 3.755 5 1 GHBF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc([N+](=O)[O-])c3)C[C@H]1C=N2 49808103 GMAMVIGQPYXEBZ-HNNXBMFYSA-N 379.372 3.584 5 1 GHBF CC(C)(Nc1ncc([N+](=O)[O-])c(Nc2ccccc2C(N)=O)n1)c1ccccc1 64532056 RFXVLONYNHNDBW-UHFFFAOYSA-N 392.419 3.575 5 1 GHBF CCN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148627 LGKAAWBGMJJMEK-UHFFFAOYSA-N 397.479 3.818 5 1 GHBF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163635 PCHHLZSXRGBBAF-UHFFFAOYSA-N 397.460 3.629 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264747 SLNFTBRBUPLAFZ-VGMNWLOBSA-N 389.761 3.896 5 1 GHBF Cc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 587662269 XWNJZVUTUHPKDT-UHFFFAOYSA-N 376.347 3.803 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587261765 HSGRYVACYJXFKF-UHFFFAOYSA-N 377.303 3.723 5 1 GHBF O=C(Nc1cccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1)c1ccc(F)cc1 587162833 FBCNHJKBEHMOBL-UHFFFAOYSA-N 377.335 3.925 5 1 GHBF COc1cc(Nc2c3ccccc3nc3cnccc23)ccc1NS(C)(=O)=O 169323994 HWDGVGNPIWOYIO-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF CCCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O 29388377 UDHZLIWNSDUWDK-UHFFFAOYSA-N 376.456 3.939 5 1 GHBF CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148124 NGXOAVBDTPOZOS-UHFFFAOYSA-N 397.479 3.770 5 1 GHBF Cc1ccccc1NC(=S)Nn1c(-c2ccc([N+](=O)[O-])cc2)cnc1S 98082213 RMBKVCBDUDQGKL-UHFFFAOYSA-N 385.474 3.996 5 1 GHBF CCCc1c(O)ccc2c1O[C@](COC(C)=O)(c1ccc([N+](=O)[O-])cc1)CC2=O 587473461 VJYRHNDDJXQPEP-OAQYLSRUSA-N 399.399 3.677 5 1 GHBF Cc1nccc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587054814 MAZHKBGCRVFUFW-HNNXBMFYSA-N 387.827 3.955 5 1 GHBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3 28819501 ZPSSSRXXEFOJTF-CYBMUJFWSA-N 381.435 3.768 5 1 GHBF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 73311885 BPXAHEXCYJCHKW-GOSISDBHSA-N 387.436 3.736 5 1 GHBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3 85949662 GVWLJQGOAKYOBK-ZHRRBRCNSA-N 395.455 3.736 5 1 GHBF COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587433133 OMWZJSZMHNAQPA-XOBRGWDASA-N 398.371 3.791 5 1 GHBF CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)c2ccsc2CCN1Cc1cccnc1 962997730 SXWUPUTZPAQYTQ-OAQYLSRUSA-N 393.468 3.942 5 1 GHBF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 1857754940 HQMJDHXBJPGITO-UHFFFAOYSA-N 379.401 3.707 5 1 GHBF O=[N+]([O-])c1cn2c(n1)CC[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 40899730 OJWQBZQVYWYVJU-LJQANCHMSA-N 379.416 3.902 5 1 GHBF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82221460 UJBKUMMIOJKEMK-UHFFFAOYSA-N 397.460 3.574 5 1 GHBF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 82222855 ABAKOEQIFLTWJK-KRWDZBQOSA-N 388.493 3.994 5 1 GHBF CS(=O)(=O)c1cc(-c2nc3cccc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926249 MOFZPDZNPJELGO-UHFFFAOYSA-N 386.216 3.848 5 1 GHBF Cc1ccc(NC(=O)CSCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586969959 CLGPGSZEKUDMIU-UHFFFAOYSA-N 388.424 3.833 5 1 GHBF CC(C)(O)CCc1ccc(O)c2c(=O)c3cc4c(cc3oc12)O[C@H]1OC=C[C@@H]41 2356685689 AQCBXNBFMWPAAG-LAJNKCICSA-N 380.396 3.701 5 1 GHBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C)cc2)c([N+](=O)[O-])c1 26502712 KVNMRHCRMWYHBJ-UHFFFAOYSA-N 378.436 3.699 5 1 GHBF O=C(Oc1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 40860831 CERCHATYMWICBN-UHFFFAOYSA-N 390.145 3.683 5 1 GHBF O=C1OCC(Nc2cccc([N+](=O)[O-])c2)=C1c1ccc(Br)cc1 72117046 OXQQBFNVHKXAKI-UHFFFAOYSA-N 375.178 3.737 5 1 GHBF Cc1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030039 VZTTWMGCENYWDN-UHFFFAOYSA-N 385.380 3.760 5 1 GHBF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431437 DZYSIBAWQHKWJX-BTYIYWSLSA-N 381.384 3.807 5 1 GHBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587204636 YLUZUMBLCZONQV-UHFFFAOYSA-N 381.392 3.988 5 1 GHBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C(=O)OC)cc([N+](=O)[O-])c2)N1 962941366 DROULMLFIPWQFG-IFXJQAMLSA-N 379.416 3.876 5 1 GHBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@@H](O)C1=CCCN1C3 14824730 ZXNMSYXUHREWSY-QFIPXVFZSA-N 393.439 3.861 5 1 GHBF biogenic CC[C@H]1C[N@+]2([O-])CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 253754561 NLSMUKLVXQHTTD-SUOWKGFCSA-N 384.476 3.829 5 1 GHBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391324 VGYUOWBRSGSDEP-HXUWFJFHSA-N 393.399 3.991 5 1 GHBF COc1ccc2c(c1OC)[C@](C)(COc1ccccc1[N+](=O)[O-])N(C)[C@H](C)C2 962638805 XNWTUWBSXBJCEQ-SZNDQCEHSA-N 386.448 3.783 5 1 GHBF COc1ccccc1S(=O)(=O)Nc1ccc2nc(O)c3ccccc3c2c1 1857621211 JNAFOKWUGWLVKP-UHFFFAOYSA-N 380.425 3.903 5 1 GHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)nn2)c1 587269648 KYYBJTFEOSORNZ-UHFFFAOYSA-N 390.281 3.617 5 1 GHBF O=C(Cc1ccc(Cl)cc1Cl)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 72125110 KZUFBNCCQAHODU-UHFFFAOYSA-N 391.214 3.967 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1[N+](=O)[O-])O2 587378063 RUTIDPGIUHDPBO-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(C)c(Br)cnc3[nH]2)c1 587261462 BQZHVNARLXGONJ-UHFFFAOYSA-N 391.225 3.867 5 1 GHBF Cc1cccc(Oc2ccc(-c3nc(SCC(=O)O)n[nH]3)cc2[N+](=O)[O-])c1 205445813 KCSJZOUBRHTBPC-UHFFFAOYSA-N 386.389 3.657 5 1 GHBF O=[N+]([O-])c1cncc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586957741 BAUUQYZTSFNOBM-NDEPHWFRSA-N 392.440 3.904 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1F 587007097 VMFQMZUXHBFQRG-UHFFFAOYSA-N 376.145 3.687 5 1 GHBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2)nc1C(F)(F)F 587118106 KALIVUIYJAHBPY-UHFFFAOYSA-N 388.309 3.797 5 1 GHBF O=P(O)(O)OC[C@@H](O)COCc1ccc2ccc3cccc4ccc1c2c34 58638407 JJGYAQIYOOQCJK-KRWDZBQOSA-N 386.340 3.571 5 1 GHBF in-vitro Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc21 377881828 BLVAYZBIMMYHDJ-UHFFFAOYSA-N 377.469 3.935 5 1 GHBF O=[N+]([O-])c1ccc(CN=c2ccc(NCc3ccc([N+](=O)[O-])cc3)c[nH]2)cc1 1857555548 QVAYJOXYBGIEIS-UHFFFAOYSA-N 379.376 3.544 5 1 GHBF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc1[N+](=O)[O-] 27878635 VPPPSJMVMTVSEQ-LJQANCHMSA-N 397.431 3.858 5 1 GHBF Cc1cc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1[N+](=O)[O-] 587131869 FAHNPNKMZXSAQU-JTQLQIEISA-N 382.367 3.749 5 1 GHBF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([N+](=O)[O-])cc1 27872083 HOZJFFFNWIWDSX-LJQANCHMSA-N 397.431 3.858 5 1 GHBF Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163604 CBGMEEXJCRVPGZ-MRXNPFEDSA-N 395.419 3.915 5 1 GHBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Br)c1N 587934407 DWQNMNWKNHBVJC-SNVBAGLBSA-N 398.257 3.957 5 1 GHBF CN1C(=O)C[C@H]2CN[C@](C)(Cc3ccc(Cl)cc3[N+](=O)[O-])c3cccc1c32 963024802 LZRTZWLYOUBYIY-RNODOKPDSA-N 385.851 3.759 5 1 GHBF O=[N+]([O-])c1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1 26497056 NFLGYPPTQGFNIO-UHFFFAOYSA-N 381.476 3.675 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432436 KBUSIRUQOSYANM-HRAATJIYSA-N 376.368 3.883 5 1 GHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(Br)c2[nH]1 587275239 AJTKVDKBWFWTAJ-SSDOTTSWSA-N 384.621 3.887 5 1 GHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587158796 JHFAYRYOGFKINK-UHFFFAOYSA-N 391.668 3.603 5 1 GHBF Cc1cc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1[N+](=O)[O-] 587131870 FAHNPNKMZXSAQU-SNVBAGLBSA-N 382.367 3.749 5 1 GHBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(I)c1 587180182 OIPKFRWSLMIXGW-UHFFFAOYSA-N 395.156 3.751 5 1 GHBF O=C(c1ccccc1)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273358 KLLOQHVVIPXARL-UHFFFAOYSA-N 375.388 3.531 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])O2 587390978 TYELSOPZOAPGNG-GOSISDBHSA-N 394.387 3.718 5 1 GHBF CC(=O)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 45316797 MNMUWGOBGAJWOQ-IBGZPJMESA-N 393.399 3.639 5 1 GHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 587263475 AADCQZAHVAULIA-VXJOIVPMSA-N 391.771 3.567 5 1 GHBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3cccc(C(F)(F)F)c3)C2)ccc1CO 1857650558 NYRIFSYVNLLMLT-KRWDZBQOSA-N 395.381 3.792 5 1 GHBF Cc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 169321868 PCCOKZOUDCXZMW-PIATZUFCSA-N 399.450 3.916 5 1 GHBF Cc1cc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1C 587080572 WNUFLNMDAZCEOR-UHFFFAOYSA-N 386.799 3.950 5 1 GHBF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1 587262862 ZOZMCUSWIIGPCO-UHFFFAOYSA-N 388.449 3.525 5 1 GHBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3ccccc3Cl)cc12 653782772 WHHWSDAZRVRYPB-UHFFFAOYSA-N 394.814 3.910 5 1 GHBF Cc1cccn2cc(-c3ccc(I)c([N+](=O)[O-])c3)nc12 68585803 RJCPQMMRHXOADQ-UHFFFAOYSA-N 379.157 3.823 5 1 GHBF biogenic C[S@](=O)c1cc(OC2CCCC2)c2oc3ccc(C(=O)O)cc3c(=O)c2c1 139016888 MIHABJMOONZUBF-HHHXNRCGSA-N 386.425 3.703 5 1 GHBF O=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2c(F)cccc12 299869900 VPVAZTWQQAHCKV-UHFFFAOYSA-N 384.414 3.982 5 1 GHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(O)cc2[nH]1 587053447 FGFCWNZZXNQFGL-INIZCTEOSA-N 388.811 3.957 5 1 GHBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)cc(Br)c2[nH]1 587268312 QIBJRFGEGONVHE-UHFFFAOYSA-N 382.605 3.894 5 1 GHBF CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)Nc3cccc4ccccc34)c2)CC1 1911572627 BCFXZXWXRZHOGW-UHFFFAOYSA-N 390.443 3.752 5 1 GHBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC 775977 OKWPZMMDEBRTCT-UHFFFAOYSA-N 391.424 3.703 5 1 GHBF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 58603525 IRZAZQUNFAYEJN-KRWDZBQOSA-N 383.404 3.900 5 1 GHBF N=C1S/C(=C\c2conc2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1nccs1 40918145 ORWFGEJSQQZYIE-ULDHIOLDSA-N 399.413 3.762 5 1 GHBF Cc1cc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2cc1[N+](=O)[O-] 587234432 MNYQJQCLEOPOJH-UHFFFAOYSA-N 388.424 3.643 5 1 GHBF CCCCCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139016409 HQYSJLHLQNKQKH-MHZLTWQESA-N 388.441 3.951 5 1 GHBF CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 587013790 CHBJUORXMPWOPR-QMMMGPOBSA-N 377.382 3.909 5 1 GHBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587275150 WSBQUAPANAFKSA-UHFFFAOYSA-N 390.119 3.653 5 1 GHBF O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 66080352 KRGUNKABNQYYST-WOJBJXKFSA-N 384.436 3.694 5 1 GHBF CC[C@H](C)NC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 82135750 UQUDQNUKCXRKKH-HNNXBMFYSA-N 397.479 3.816 5 1 GHBF O=c1c2c(OC[C@H]3CO3)cc(OC[C@H]3CO3)cc2oc2ccc3ccccc3c12 45394368 ZNHJPKNXLKDJDD-JKSUJKDBSA-N 390.391 3.655 5 1 GHBF CC(C)CN(C)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82134461 WJLXGFRCVUWCOY-UHFFFAOYSA-N 383.452 3.602 5 1 GHBF Cc1cc(F)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 586927894 XHMXOKYDJKPTCT-UHFFFAOYSA-N 383.788 3.643 5 1 GHBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])n[nH]1 587859231 DDTCBLLIZDYKHN-UHFFFAOYSA-N 396.190 3.575 5 1 GHBF Cc1cc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2cc1[N+](=O)[O-] 586983344 BBQYDJJIHDBUCB-GFCCVEGCSA-N 375.226 3.785 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])cc1)O2 587388460 BYIHDTBXKAIMQK-SFHVURJKSA-N 394.387 3.718 5 1 GHBF O=[N+]([O-])c1csc2c(N3CCOCC3)nc(/C=C/c3ccc(F)cc3)nc12 1857602445 PQKSZUARJMRTKT-ZZXKWVIFSA-N 386.408 3.746 5 1 GHBF CN(C)CCCNc1nnc(NCCCN(C)C)c2cc3ccccc3cc12 1591639 UBOSSBQWRKFJKZ-UHFFFAOYSA-N 380.540 3.510 5 1 GHBF NCc1ccc2c(c1)[nH]c1c2c2c(c3c4cccc5c4n(c13)CCC5)C(=O)NC2=O 14945586 FIBFIQARGKNQJY-UHFFFAOYSA-N 394.434 3.718 5 1 GHBF COc1cc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] 587262686 DVSFPWNAKZSNEL-UHFFFAOYSA-N 383.282 3.957 5 1 GHBF C[C]1C=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)C=C1C 2356812508 UNCZRSDQZXZPSV-UHFFFAOYSA-N 397.192 3.710 5 1 GHBF Cc1cc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc(C)c1O 45285409 FXWRDBCKWNNDPT-SFHVURJKSA-N 395.415 3.759 5 1 GHBF O=C(NCC1CC1)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135150 ABHPJBZOOSBJCG-UHFFFAOYSA-N 395.463 3.936 5 1 GHBF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 95593392 VLPCMABIYZTMKT-UHFFFAOYSA-N 380.444 3.860 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587059757 VEFJLJFCCKEXJB-CYBMUJFWSA-N 382.601 3.969 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2=O 587473135 QEZWJROZCSJLEH-KRWDZBQOSA-N 387.388 3.977 5 1 GHBF O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3ccccc3)c(F)cc2c1=O 103213558 NJCKYOYEGYQECY-UHFFFAOYSA-N 383.335 3.826 5 1 GHBF Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1C 587266601 LLOZJIFATCCYPH-DIFFPNOSSA-N 385.380 3.530 5 1 GHBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C[C@@H](C(C)(C)O)O2 14610216 PMCGDAQXOZHJMW-KRWDZBQOSA-N 396.439 3.941 5 1 GHBF biogenic,in-vitro COc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4ccccn4)c3[nH]c12 49055731 KDNNHRBPAAZBDF-UHFFFAOYSA-N 379.803 3.991 5 1 GHBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586919800 HTOKMBJZJKGHBA-UHFFFAOYSA-N 386.216 3.752 5 1 GHBF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 586939071 MYHIODIMYYQGMX-LBPRGKRZSA-N 388.449 3.523 5 1 GHBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587109016 KZCFSWRYIJPMDP-UHFFFAOYSA-N 396.237 3.763 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587175763 AKYIHYQCUAUHAY-UHFFFAOYSA-N 376.145 3.916 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC[N+](=O)[O-])c1ccccc1 587575346 JKAMHWIATIYECB-UGKGYDQZSA-N 391.379 3.916 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587746120 JBLRDELYNYPRSK-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF COc1ccc([N+](=O)[O-])cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579624 SNCPQBKESZHNCX-QGZVFWFLSA-N 392.839 3.537 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586914303 BBGXCUCLHRPXIE-UHFFFAOYSA-N 376.328 3.634 5 1 GHBF Cc1ccc(C)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 586925724 IHABPNKAOPBEFY-UHFFFAOYSA-N 379.825 3.812 5 1 GHBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587194244 OYFFDKIMPLKXLH-LLVKDONJSA-N 397.863 3.642 5 1 GHBF Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cccc1[N+](=O)[O-] 587261038 QHHMMIUVMXADBJ-UHFFFAOYSA-N 376.376 3.506 5 1 GHBF O=c1c2c(OC[C@H]3CO3)cc(OC[C@@H]3CO3)cc2oc2ccc3ccccc3c12 45394360 ZNHJPKNXLKDJDD-HZPDHXFCSA-N 390.391 3.655 5 1 GHBF CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O 587635668 KVNLHNSRWHXCAO-UHFFFAOYSA-N 386.335 3.637 5 1 GHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586915146 BFHLPJRWKQGHJL-BLVKFPJESA-N 396.359 3.596 5 1 GHBF Cc1cc(N(C)Cc2nc3cc(Br)ncc3[nH]2)c([N+](=O)[O-])cc1F 587136995 NQPMVEZXLHSMTF-UHFFFAOYSA-N 394.204 3.713 5 1 GHBF Cc1c(Br)ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269222 ISFJJDJXAVZBIC-UHFFFAOYSA-N 399.208 3.790 5 1 GHBF CCC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573044 AURVNEJAEJSJMF-UHFFFAOYSA-N 389.208 3.963 5 1 GHBF biogenic COc1cnc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1Cl 587064227 FPJQFWAJSQKVAL-UHFFFAOYSA-N 383.589 3.958 5 1 GHBF O=C1CCc2cc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3cc2N1 587109400 ITVOUDOBESNYNZ-UHFFFAOYSA-N 390.321 3.965 5 1 GHBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)c(F)c(F)c2[nH]1 587268988 PBTRDBALGPQICR-UHFFFAOYSA-N 384.140 3.519 5 1 GHBF COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(Cl)c(F)cc12 587631271 JUEXPVBQNSOMFF-UHFFFAOYSA-N 376.727 3.891 5 1 GHBF COc1cc2c(c3[nH]c4ccc5ccccc5c4c(=O)c13)C(=O)[C@@H](O)C(C)(C)O2 35878480 KRPPMGZDURCRKZ-JOCHJYFZSA-N 389.407 3.558 5 1 GHBF O=[N+]([O-])c1cn2c(n1)O[C@H](CCOc1ccc(OCc3ccccc3)cc1)CC2 473084043 FHKCHHFSSXYJON-IBGZPJMESA-N 395.415 3.991 5 1 GHBF N[C@@H](CCc1nc2cc3ccccc3cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272023 KLYVNLQPGGRJIU-KRWDZBQOSA-N 389.415 3.523 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] 40895001 NBGJCNOYXFJZLK-IBGZPJMESA-N 382.376 3.814 5 1 GHBF O=C(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587780971 ARIOLMDRNABOQR-UHFFFAOYSA-N 390.193 3.520 5 1 GHBF Cc1c(Br)cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1C 587275874 HDXFMVCVWIRZNN-QMMMGPOBSA-N 378.230 3.851 5 1 GHBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccnc(Br)c1 587941338 SRTRSUWVLHGCBT-JTQLQIEISA-N 384.230 3.770 5 1 GHBF CS(=O)(=O)c1ccc(-c2cc(/C=C\CC[N+](=O)[O-])nn2-c2ccccc2)cc1 95553100 PYTPSXLKDYVEBZ-ALCCZGGFSA-N 397.456 3.623 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)cc(F)c2[nH]1 587117952 MMVXYMHKMZLKST-UHFFFAOYSA-N 377.685 3.836 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Cl)nc2[nH]1 587264843 UJQNCBUHIWSICM-SECBINFHSA-N 390.783 3.871 5 1 GHBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccc(F)cc1 1857606311 OHMIQVXKILPAJU-UHFFFAOYSA-N 398.442 3.653 5 1 GHBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587189727 DJDSBFVFOMKAOD-INIZCTEOSA-N 383.408 3.822 5 1 GHBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cn(C)c2ccccc12 587646988 BNQASFPWSPPUGN-UHFFFAOYSA-N 377.356 3.585 5 1 GHBF CCn1c2ccncc2c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 64573674 YIKKGNOXWKDTFD-UHFFFAOYSA-N 396.428 3.918 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)c(F)cc2[nH]1 587269064 JPPWNAWOPHLLAD-UHFFFAOYSA-N 394.156 3.764 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587419880 UQOPZXFBPSJRSP-SUMWQHHRSA-N 390.189 3.855 5 1 GHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 587871253 DOXHKBCCEBFWMN-UHFFFAOYSA-N 399.378 3.888 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)O2 587389807 NJPYSZPCVOUMLW-IBGZPJMESA-N 385.376 3.891 5 1 GHBF N=C(N)NCCCCNCCCCNCc1c2ccccc2cc2ccccc12 64539281 UJEVHCXWPQUJAF-UHFFFAOYSA-N 391.563 3.716 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1c(O)ccc4cc([N+](=O)[O-])ccc14)[C@@H](C2)C3=O 587430689 AYDUNBBXTSBWHG-BTYIYWSLSA-N 377.352 3.951 5 1 GHBF O=[N+]([O-])c1cc(/C=C\c2nc3nc(Br)c[nH]c-3n2)ccc1Cl 587048641 XVWCIRHORZOPKP-RQOWECAXSA-N 380.589 3.799 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4cc([N+](=O)[O-])ccc14)[C@@H](C2)C3=O 587430690 AYDUNBBXTSBWHG-YCRPNKLZSA-N 377.352 3.951 5 1 GHBF Cc1cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)ccc1C(=O)O 621476454 ZUGRMQAJIBVCIT-UHFFFAOYSA-N 376.324 3.555 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 587578679 WRXYCKXUYXJWQJ-FXAWDEMLSA-N 379.324 3.709 5 1 GHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586915150 BFHLPJRWKQGHJL-CWTRNNRKSA-N 396.359 3.596 5 1 GHBF CC(C)(C)OC(=O)N(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C[C@H]1CCCO1 587197079 HYCIOWZGOJSFRW-LLVKDONJSA-N 394.403 3.526 5 1 GHBF Cc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979356 BBAZJVPMCFLNST-UHFFFAOYSA-N 388.181 3.791 5 1 GHBF CN(CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccccc1 13745770 XLWOWJSCZJJFOR-UHFFFAOYSA-N 381.476 3.969 5 1 GHBF Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCCCCCC4)cc3nc21 5932683 NMGBTIAUEHMVMI-UHFFFAOYSA-N 383.423 3.695 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587265893 YGMZMDQZXTXJGF-JTQLQIEISA-N 399.359 3.521 5 1 GHBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccncc3)s2)cc([N+](=O)[O-])c1 221020582 MFEHEMBVWINDSR-UHFFFAOYSA-N 375.391 3.709 5 1 GHBF O=C(/C=C\c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587244132 LHUJCAFPYADEHN-HJWRWDBZSA-N 387.193 3.886 5 1 GHBF CN(C(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1)C1CCCC1 61958621 KNPRCYMGXBUYEX-UHFFFAOYSA-N 381.432 3.791 5 3 GHBF Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576526 OXTIMIJSIRVROK-XLIONFOSSA-N 378.340 3.586 5 1 GHBF CC(C)SC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169321952 FBPKYMHTLUSOQT-CYBMUJFWSA-N 388.441 3.526 5 1 GHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)o1 587264110 BHTRCHMEVGBXNT-UHFFFAOYSA-N 385.357 3.645 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587265897 YGMZMDQZXTXJGF-SNVBAGLBSA-N 399.359 3.521 5 1 GHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)CC(=O)c1cccc([N+](=O)[O-])c1 963632082 FJVQELMKYWRBLJ-ASSNKEHSSA-N 384.432 3.634 5 1 GHBF Cc1[nH]nc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(nc3c(c1N)CCCC3)O2 1857752294 DWZFMMTZDGIUCK-MRXNPFEDSA-N 377.404 3.768 5 1 GHBF O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(F)c1 101543219 WCZGKUJBGXNQGS-NYTJIUQPSA-N 399.426 3.691 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587414049 RFPJCKZMWAYLRJ-YVEFUNNKSA-N 390.189 3.855 5 1 GHBF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587511748 RUCBRTCUPOSVSC-LJQANCHMSA-N 381.384 3.967 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749113 XBZILKNVYWDHAF-HUTHGQBESA-N 394.244 3.876 5 1 GHBF Cc1cc(N(C)Cc2nc3cc4c(cc3[nH]2)OCCCO4)c([N+](=O)[O-])cc1F 587136594 HGESBUJBFLETFY-UHFFFAOYSA-N 386.383 3.716 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)O2 587389814 NJPYSZPCVOUMLW-LJQANCHMSA-N 385.376 3.891 5 1 GHBF Cc1cncc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587056727 UCZKUNQWTGAFTB-HNNXBMFYSA-N 387.827 3.955 5 1 GHBF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587511746 RUCBRTCUPOSVSC-IBGZPJMESA-N 381.384 3.967 5 1 GHBF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C1OCCO1 587647120 QMNQLDNVWGMISI-SNVBAGLBSA-N 377.397 3.707 5 1 GHBF CN(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)C1 95590298 WWEQETXLXQGPFH-CQSZACIVSA-N 388.855 3.641 5 1 GHBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c([N+](=O)[O-])cc1F 587136602 HHJFJTUQPVHMAG-UHFFFAOYSA-N 383.305 3.969 5 1 GHBF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574211 DSZJMJYRYRNIHL-NQIIRXRSSA-N 391.335 3.816 5 1 GHBF COc1ccccc1[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2ccc(O)cc21 963339916 CQDXMZPPQSAZDT-JOCHJYFZSA-N 376.412 3.747 5 1 GHBF COc1ccc(CNc2ncnc3cc(N(C)C)c([N+](=O)[O-])cc23)cc1Cl 40980306 UGUQXDRMBVVENM-UHFFFAOYSA-N 387.827 3.878 5 1 GHBF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82221463 ONVNFVRDEOCEIJ-UHFFFAOYSA-N 397.460 3.629 5 1 GHBF Cc1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1[N+](=O)[O-] 587125763 UDEWARGMROMOBY-OQPBUACISA-N 380.330 3.951 5 1 GHBF Cc1oc2cc(OC[C@@H](O)C[N+](C)(C)C(C)C)ccc2c(=O)c1-c1ccccc1 27102331 GVZQBPGDJWIFOU-IBGZPJMESA-N 396.507 3.993 5 1 GHBF Cc1cnc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053112 BCZAIXMGVTZPSM-OAHLLOKOSA-N 387.827 3.955 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@H](c3cccc(C(F)(F)F)c3[N+](=O)[O-])c3cccc1c32 963030967 SIWMKTYYOKCMPN-QGHHPUGFSA-N 391.349 3.756 5 1 GHBF NCC1CCC(CNc2nc(NCCCc3ccccc3)ncc2[N+](=O)[O-])CC1 28898779 LNAVMMOBJWLQAI-UHFFFAOYSA-N 398.511 3.607 5 1 GHBF C[C@@]1(COc2cccc(-c3ccc(F)cc3)n2)CCn2cc([N+](=O)[O-])nc2O1 1772605695 XCQAHAXFZZYKIZ-IBGZPJMESA-N 384.367 3.613 5 1 GHBF O=[N+]([O-])c1ccccc1O[C@H]1[C@H](Cn2ccnc2)CCC[C@@H]1Cn1ccnc1 40915473 RHRSDNZBNPXJIS-XEMDLRDOSA-N 381.436 3.552 5 1 GHBF O=C(NCc1ccccn1)c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 141329664 BGHAJCZOYAIZAP-UHFFFAOYSA-N 382.323 3.548 5 1 GHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 587268225 XRFQYKZNWYVKCG-ZCFIWIBFSA-N 386.156 3.626 5 1 GHBF COc1ccccc1CC(=O)c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587928985 FPQLCFSTMUCVPU-UHFFFAOYSA-N 390.193 3.668 5 1 GHBF NC(=O)N1CCc2sccc2[C@@]1(c1ccccc1)c1ccccc1[N+](=O)[O-] 962709963 KXQVZGDPCNSGMU-HXUWFJFHSA-N 379.441 3.885 5 1 GHBF COc1cccc2c(=O)c3c(O)c4cc(N(C)C)ccc4c(OC(C)=O)c3oc12 5498762 AJFPTLNCOCUJNV-UHFFFAOYSA-N 393.395 3.805 5 1 GHBF CC[C@H]1C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 26840094 NLSMUKLVXQHTTD-YUYIACDASA-N 384.476 3.829 5 1 GHBF COC(=O)c1cccc2nc3cc(S(=O)(=O)c4ccc(C)cc4)ccc3nc12 103221385 KBVKQWGDPUXJDB-UHFFFAOYSA-N 392.436 3.711 5 1 GHBF CCCOc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277343 UATKPAJQOPFOAC-VIFPVBQESA-N 394.229 3.828 5 1 GHBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(Cl)c(F)cc12 587631598 QFBDZPIMSRRYNR-UHFFFAOYSA-N 376.727 3.891 5 1 GHBF O=c1c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)c2cccnc2n1-c1ccccc1 26721958 DPZVVCMURSDJLD-UHFFFAOYSA-N 397.394 3.692 5 1 GHBF CN(c1ccc(/N=c2\c3ccccc3[nH]c3cc(N)ccc23)cc1)S(C)(=O)=O 26846459 AYLUNTFRIKBGCL-UHFFFAOYSA-N 392.484 3.532 5 1 GHBF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174445 DZWUVQWRTNRUPF-INIZCTEOSA-N 395.419 3.915 5 1 GHBF CC1=NN(C(=O)n2c(=O)c3ccccc3c3c4cc(Cl)ccc4[nH]c32)C(=O)C1 98084165 BADUGKKULWWSLG-UHFFFAOYSA-N 392.802 3.866 5 1 GHBF O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 102955746 MBWRHNYGDKZGQQ-GASCZTMLSA-N 383.429 3.724 5 1 GHBF C[C@H](Sc1ncccn1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586962641 UAASHUPUYIIITD-ZETCQYMHSA-N 380.227 3.877 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1O 587578244 VOGYMDBIXIJDCB-XLIONFOSSA-N 379.324 3.709 5 1 GHBF CCN(CC)C[C@H](O)CNc1nccc2c(C)c3[nH]c4ccncc4c3cc12 5139348 ZAMYMBBINBOWQT-OAHLLOKOSA-N 377.492 3.687 5 1 GHBF O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O 169323619 GGCVQMUSUJZNIJ-UHFFFAOYSA-N 393.399 3.543 5 1 GHBF O=[N+]([O-])c1cncc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183901 KWKKZPBRFRAKSP-SNAWJCMRSA-N 392.156 3.641 5 1 GHBF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 169322525 XUAPHADMWLZEDC-QRWLVFNGSA-N 390.443 3.568 5 1 GHBF Cc1cc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1[N+](=O)[O-] 587150957 WAKBRXIAWCSOMX-LBPRGKRZSA-N 386.358 3.574 5 1 GHBF Cc1cnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745164 GNIKVTGBIRBYIH-QGHHPUGFSA-N 394.244 3.998 5 1 GHBF C[C@@]1(c2cc([N+](=O)[O-])ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572956 ANOOJMIULLEDIX-NQIIRXRSSA-N 392.367 3.760 5 1 GHBF O=[N+]([O-])c1ncn(CCCCNc2nc(-c3ccccc3)nc3ccccc23)n1 73166457 ISZVXCVSCFTWCB-UHFFFAOYSA-N 389.419 3.689 5 1 GHBF Cc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980459 ZXBYKXZITYUQMV-AWEZNQCLSA-N 390.197 3.933 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)ncc3[nH]2)c1 587262101 MVPJYRWQWDRVAB-UHFFFAOYSA-N 377.198 3.559 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1Cl 100055089 RQYSGUYUCLVEKR-WSTOHFRZSA-N 380.784 3.669 5 1 GHBF Cc1cc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587264626 IXMUFGQMYRHYPE-VIFPVBQESA-N 386.324 3.769 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(F)c(Br)c2[nH]1 587268644 AJZAEZGLAXYORD-UHFFFAOYSA-N 394.156 3.764 5 1 GHBF O=[N+]([O-])c1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl 587089020 VZSAIMKTQRJISB-UHFFFAOYSA-N 387.390 3.994 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1c([N+](=O)[O-])c(C(C)(C)C)nn1C)CC2=O 587473506 WJQGRBBZIJYOBW-HNNXBMFYSA-N 387.436 3.990 5 1 GHBF O=C(/C=C\c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587245357 WHSRMCJSCZANLN-SREVYHEPSA-N 387.193 3.886 5 1 GHBF CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150205 NGRXOYJOQNFTEP-GJZGRUSLSA-N 397.479 3.626 5 1 GHBF CC[C@H]1CC[C@@H](OC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719523 UGSGQZFMWQBJPK-BNEJOLLZSA-N 387.436 3.948 5 1 GHBF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc2c1 587260697 AJFYVPCKHDWWSG-UHFFFAOYSA-N 391.767 3.595 5 1 GHBF Nc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 199793130 DXIOENHPVMRFQA-UHFFFAOYSA-N 383.770 3.995 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc([N+](=O)[O-])cc1 587576011 MEWULQDSPCHVDL-MOPGFXCFSA-N 377.352 3.873 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc([N+](=O)[O-])cn3)o1)CC2=O 587469375 DDVABIIZVSQOQF-LJQANCHMSA-N 397.387 3.797 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587745106 GHMASXJTCQPBGX-VPTHRUTESA-N 380.217 3.702 5 1 GHBF COc1cccc2c3c(cnc12)CCN[C@@]31CCCOc2ccc([N+](=O)[O-])cc21 963058091 QFWMSIDCQQMOTC-JOCHJYFZSA-N 391.427 3.714 5 1 GHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c(O)nc(=NCc3ccc(F)cc3)oc12 1857603471 PSTGWNPMYANMOY-UHFFFAOYSA-N 383.257 3.700 5 1 GHBF COCC[N+]1(C)CCC[C@H](C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 28460015 AUIUWDZZXQWWOQ-UEDXYCIISA-N 392.541 3.994 5 1 GHBF COc1cc(/C=C\c2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc(OC)c1OC 29041983 MOWYNSJVNYPGKM-WAYWQWQTSA-N 390.348 3.708 5 1 GHBF N[C@H](N=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109888 PXOFFWHSPZTEQQ-OAHLLOKOSA-N 379.298 3.804 5 1 GHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 169321853 QDQZWRSHLGBPSP-OQLXKQOESA-N 385.423 3.608 5 1 GHBF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)cc1Cn1ccc([N+](=O)[O-])n1 962378680 UGPHPLRTBAAGOA-NRFANRHFSA-N 396.422 3.531 5 1 GHBF CN(C)CCOc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 169353035 QMYJVFNQFKOONZ-HGWOPWLJSA-N 388.508 3.752 5 1 GHBF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C2 586886458 PVLCGCWTDMJFDH-LPEHRKFASA-N 376.210 3.872 5 1 GHBF O=C(c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 82149553 KZGHTTDFRDWBFU-UHFFFAOYSA-N 395.463 3.668 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2[N+](=O)[O-])N1 587753920 XDBJWWGBBOCLFL-FVMDXXJSSA-N 380.217 3.689 5 1 GHBF COc1ccc2cc3c4c(cc(OC)c(OC)c4c2c1OC)CCN3C(C)=O 2356787468 UWXFOZJKVWDLCH-UHFFFAOYSA-N 381.428 3.936 5 1 GHBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)C[C@H](C(C)(C)O)O2 14610210 ZBFQACWPPVQWER-MRXNPFEDSA-N 396.439 3.941 5 1 GHBF biogenic COc1cc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)ccc1F 45259320 GNSOWMCDWXLLPC-INIZCTEOSA-N 399.378 3.584 5 1 GHBF CN(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)C1 95590299 WWEQETXLXQGPFH-AWEZNQCLSA-N 388.855 3.641 5 1 GHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Br)c[nH]c-3n2)o1 587264497 GUDFYZDOMSUYLN-UHFFFAOYSA-N 386.165 3.902 5 1 GHBF Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576523 OXTIMIJSIRVROK-PXNSSMCTSA-N 378.340 3.586 5 1 GHBF CCn1c(=S)sc2c(NC(=O)Nc3ccccc3[N+](=O)[O-])ncnc21 45299647 UHAVQLURSUAXLK-UHFFFAOYSA-N 376.423 3.794 5 1 GHBF Cc1cc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2cc1[N+](=O)[O-] 586983345 BBQYDJJIHDBUCB-LBPRGKRZSA-N 375.226 3.785 5 1 GHBF COC(=O)c1ccc(C[C@H](O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 1857761503 WLCIPALIXRJKAX-FQEVSTJZSA-N 378.384 3.720 5 1 GHBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c(N)cccc1Br 587935785 QCJPWGVUHNIZDW-SNVBAGLBSA-N 398.257 3.957 5 1 GHBF O=C(Nc1ccccc1)c1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 72177226 QEGLXAKMCNHERZ-UHFFFAOYSA-N 386.367 3.885 5 1 GHBF O=C(Nc1nc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cs1)c1cccs1 587018793 ACOYZIZMLAZGGU-UHFFFAOYSA-N 385.430 3.832 5 1 GHBF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587118184 ORSADGLTHOMTKY-UHFFFAOYSA-N 390.119 3.653 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587266106 ZUCQCMHZJQICOY-UHFFFAOYSA-N 382.254 3.869 5 1 GHBF COc1c(F)ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1N 587132748 GKRYGHHMVRSTOK-UHFFFAOYSA-N 381.161 3.631 5 1 GHBF COc1ccc2c(c1OC)[C@](C)(COc1ccccc1[N+](=O)[O-])N(C)[C@@H](C)C2 962638800 XNWTUWBSXBJCEQ-QKKBWIMNSA-N 386.448 3.783 5 1 GHBF Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163603 CBGMEEXJCRVPGZ-INIZCTEOSA-N 395.419 3.915 5 1 GHBF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])OC1=O 40556772 SEWQYLDHJDMMLI-IBGZPJMESA-N 383.448 3.828 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747412 QEDBGYXUZFPUOI-KPZWWZAWSA-N 393.256 3.837 5 1 GHBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C1=NCCO1)c1cccc2ccccc12 602395 RCGFTRXGKZXOOI-FQEVSTJZSA-N 389.411 3.518 5 1 GHBF CC1(C)N=C(N)N=C(N)N1c1cccc(/C=C/C=C/c2cccc([N+](=O)[O-])c2)c1 17020573 ZZVOXTZBGFEGTL-FCXRPNKRSA-N 390.447 3.507 5 1 GHBF CC[C@H]1CC[C@H](OC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 101055865 VMAFDRIMEKGECP-RPVQJOFSSA-N 387.436 3.735 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)s1)C2 45245549 TXPRZWLXGLIMRK-ZDUSSCGKSA-N 375.381 3.637 5 1 GHBF Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 13881790 AOLFPEWOCRGOLX-UHFFFAOYSA-N 383.433 3.523 5 1 GHBF CCN(CC)CCN(C)Cc1ccc2oc3cccc4c(=O)[nH]nc(c2c1)c34 34641311 HXCCCKFNJUCUFE-UHFFFAOYSA-N 378.476 3.596 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1Cl 28085667 ZXZFIQASKYXFFG-QXPQOBGOSA-N 380.784 3.669 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@]1(CO)CCCN1C3 95603205 KSSDYLDWAFPPIT-DEOSSOPVSA-N 393.483 3.902 5 1 GHBF CC[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)N1C(=O)c2ccccc2C1=O 587279365 HDQVILJMWXLENM-INIZCTEOSA-N 378.340 3.599 5 1 GHBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CO3)cc(OC[C@@H]3CO3)c12 45374420 RNIFFKWXTVVICH-IRXDYDNUSA-N 390.391 3.655 5 1 GHBF O=C(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587781275 HSKXJALCRAAYKB-UHFFFAOYSA-N 390.193 3.520 5 1 GHBF O=c1nc(N2CCC(F)(F)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 95577552 HHUAZBHVEXCHBT-UHFFFAOYSA-N 395.309 3.819 5 1 GHBF COc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Cl 587116268 BGJZEXBVHHPWQU-UHFFFAOYSA-N 389.721 3.705 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Br)ccnc3[nH]2)c1 587261646 DYENTFKAMUEFCY-UHFFFAOYSA-N 377.198 3.559 5 1 GHBF O=Cc1ccc(OCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587566563 SZIPTJHOLFQTCO-UHFFFAOYSA-N 390.193 3.668 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587749454 YDXLXRBHASQLEP-XLFHBGCDSA-N 395.228 4.000 5 1 GHBF Cc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163602 YHJUSFQWKAXZFR-OAHLLOKOSA-N 381.392 3.606 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccnc(Cl)c2[nH]1 587263882 OTJFZOKUSBTAEM-VIFPVBQESA-N 390.783 3.871 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264744 SLNFTBRBUPLAFZ-HLTSFMKQSA-N 389.761 3.896 5 1 GHBF O=[N+]([O-])c1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Cl 586998174 YPBJYZAHZCAZGJ-CYBMUJFWSA-N 382.601 3.969 5 1 GHBF COc1cc2c3c(c4ccc(OC(N)=O)cc4c2cc1OC)CN1CCC[C@H]1C3 103179189 WNRWVFNKJBKSSV-ZDUSSCGKSA-N 392.455 3.988 5 1 GHBF Cc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1C 587263082 KTMATFYWIXNIEZ-UHFFFAOYSA-N 393.447 3.571 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587744151 CKPAOJOZEBOLFO-GLEZIHRCSA-N 396.216 3.524 5 1 GHBF COc1c([N+](=O)[O-])ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F 587383817 VVLNVMRISJQHAT-AWEZNQCLSA-N 394.330 3.802 5 1 GHBF Cc1cnc(-c2ccccc2)n1C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857765332 LXZRELCDKFRBEY-HNNXBMFYSA-N 380.404 3.522 5 1 GHBF COc1ccc(CNc2cc(-c3ccc(C)c([N+](=O)[O-])c3)ncn2)cc1OC 82219520 FZXWEIWQUVNCDV-UHFFFAOYSA-N 380.404 3.990 5 1 GHBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1F 587140296 XVPLAKSPVNMBRL-UHFFFAOYSA-N 390.802 3.763 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc3c1OCOC3)CC2=O 587469862 HKRXQCZQKHZYNT-SFHVURJKSA-N 385.372 3.826 5 1 GHBF C[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276899 OPLMPFAVFVCUOF-ZCFIWIBFSA-N 375.694 3.829 5 1 GHBF C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575990 LWLUEJWOMPGZLX-GHTZIAJQSA-N 392.367 3.760 5 1 GHBF O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1CO 1857765386 BDIGVJQSNTVCKR-QGZVFWFLSA-N 395.381 3.792 5 1 GHBF CC(=O)C[C@H](O)C[C@H](O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@H](C)O 2356698253 OIWOVMZWYLGFJQ-XGAJZPNHSA-N 386.532 3.988 5 1 GHBF O=C(O)/C=C\c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586882532 XDQMIWGRFZZCNZ-YVMONPNESA-N 388.177 3.998 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1O 587579048 XXQVXZHWKGUCSW-UZLBHIALSA-N 379.324 3.709 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cccc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1O 1857621987 UYJGVYWDPXVTHY-WEBVDJRFSA-N 383.448 3.655 5 1 GHBF CC[C@@H]1C[N@@+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 1857761561 NLSMUKLVXQHTTD-NMQCTQOUSA-N 384.476 3.829 5 1 GHBF O=c1c2c(OC[C@@H]3CO3)cc(OC[C@H]3CO3)cc2oc2ccc3ccccc3c12 45394364 ZNHJPKNXLKDJDD-HOTGVXAUSA-N 390.391 3.655 5 1 GHBF CN(C)CCN1C(=O)c2c(c3c4cnccc4[nH]c3c3[nH]c4ccccc4c23)C1=O 40954427 MTJQQFKHMUOBSL-UHFFFAOYSA-N 397.438 3.508 5 1 GHBF Cc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 587054504 LGPGMDMURRHYKK-OAHLLOKOSA-N 387.827 3.955 5 1 GHBF CC(=O)Nc1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587242763 REJGDOIYPUGMKR-UHFFFAOYSA-N 389.209 3.783 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)nn1CC(F)(F)F 587093182 XUDBDYGEBCDQCL-UHFFFAOYSA-N 381.101 3.599 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587744368 DRNRDAGYVGULJC-ZKANADHPSA-N 381.201 3.826 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 587040912 VGESNYCWBFHGAT-UHFFFAOYSA-N 378.211 3.534 5 1 GHBF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(OC)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587434411 UTTGNDFEBMASCU-YCRPNKLZSA-N 381.384 3.591 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1[N+](=O)[O-])O2 587378064 RUTIDPGIUHDPBO-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587746397 JUJKRLYUJNLGRX-VVVCHXIZSA-N 395.228 4.000 5 1 GHBF CN1C(=O)C[C@H]2CN[C@@H](c3cccc4nc5ccccc5nc34)c3cccc1c32 963031921 RWDJXEUADODDBQ-LFVRLGFBSA-N 380.451 3.926 5 1 GHBF O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4CCC[C@H]23)cc1 6536206 VUXCFQZRWRCNSK-BPQIPLTHSA-N 398.444 3.716 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587748192 SPDSKSMYZGCYLL-XLFHBGCDSA-N 394.244 3.876 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C2)C3=O 587421311 JUHASOXEQOWXKJ-YVEFUNNKSA-N 377.299 3.694 5 1 GHBF CCN(CC)CCNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] 1873307 DJKSAAIJNPBGNG-UHFFFAOYSA-N 385.464 3.554 5 1 GHBF C[C@@]1(c2cccc(O)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579404 ZMMOYPQXYAMDCX-UTKZUKDTSA-N 393.351 3.883 5 1 GHBF Cc1ccc2c(ccc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c32)n1 587118988 VMVIBSXHJVAJKS-UHFFFAOYSA-N 390.325 3.900 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1O 29478156 WIOREJGGOLGIIO-GKIIRVOLSA-N 383.448 3.583 5 1 GHBF O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21 40973635 UGYPGGXSHRXBAA-UHFFFAOYSA-N 394.408 3.653 5 1 GHBF CCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 82134546 GJJQSZKJWHLYLX-UHFFFAOYSA-N 397.479 3.818 5 1 GHBF CCOC(=O)[C@@H]1C(CCc2ccccc2)=NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 169693305 XENKLCBIKZAIEL-RTBURBONSA-N 395.415 3.612 5 1 GHBF Cn1ccc2ccc3c4[nH]c5c(CCCO)cccc5c4c4c(c3c21)C(=O)NC4=O 13535013 WVUGROOBOZUWNU-UHFFFAOYSA-N 397.434 3.775 5 1 GHBF CC(=O)N(C1=NN(C(C)=O)[C@@H](c2ccc([N+](=O)[O-])s2)S1)c1ccccc1 169338335 RLOCUCWEQXSTGI-OAHLLOKOSA-N 390.446 3.574 5 1 GHBF Cc1cc(Br)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 587269601 FYBCPXNYDRJLLR-ZDUSSCGKSA-N 375.226 3.785 5 1 GHBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587926101 HNUHDHGPCRUMIL-NSHDSACASA-N 386.364 3.938 5 1 GHBF O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)[C@H](O)c1ccccc1 1857611757 BKKOAXSJYPKYQV-GOSISDBHSA-N 398.415 3.513 5 1 GHBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587039601 HDYCAPYGOXSCHJ-KRWDZBQOSA-N 398.444 3.758 5 1 GHBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CO3)cc(OC[C@H]3CO3)c12 45385085 BHVDSBABVCNPTK-JKSUJKDBSA-N 390.391 3.655 5 1 GHBF Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c([N+](=O)[O-])cc12 26477644 YLWQJPPCKHMBNI-UHFFFAOYSA-N 382.372 3.661 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)O2 587389577 LSAAWLFQWISXLO-QFIPXVFZSA-N 389.411 3.977 5 1 GHBF COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F 587264489 GNZIUJWNXMWIHZ-QMMMGPOBSA-N 375.316 3.700 5 1 GHBF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N1 96929764 RWMDAJDCHJKXFL-GOSISDBHSA-N 396.472 3.643 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c([N+](=O)[O-])c1 587578697 WVWUHAKNVNHWRS-XLIONFOSSA-N 379.324 3.709 5 1 GHBF Nc1c(F)c(F)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1F 587136507 JOFYFNOXRDEOGD-UHFFFAOYSA-N 387.115 3.900 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc([N+](=O)[O-])c1 587577475 SIUKRCRILHGPKU-PXNSSMCTSA-N 379.324 3.709 5 1 GHBF C[C@]1(c2ncccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573897 DISCNCXEFZETIZ-UZLBHIALSA-N 378.340 3.572 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1[N+](=O)[O-] 587120433 ISXXXUIUMAXSPC-UHFFFAOYSA-N 392.253 3.941 5 1 GHBF COc1ccc2c(CN3CCC[C@@H](CO)C3)cc3cc4c(cc3c2c1)OCO4 43020276 WPWHRJZTBKMSSX-OAHLLOKOSA-N 379.456 3.935 5 1 GHBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391323 VGYUOWBRSGSDEP-FQEVSTJZSA-N 393.399 3.991 5 1 GHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(I)cc3[nH]2)c1 587160519 UTVZZYGKGPZCLB-UHFFFAOYSA-N 383.120 3.882 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)O2 587376507 IYHQOBRWIPLLRV-CQSZACIVSA-N 393.193 3.660 5 1 GHBF COc1ccc(C[C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c([N+](=O)[O-])c1 963636749 RYYJSCYSRMUWIW-ASSNKEHSSA-N 386.448 3.613 5 1 GHBF Nc1ccccc1C(=O)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772610978 XCBOSQPFBFYMTJ-UHFFFAOYSA-N 382.467 3.933 5 1 GHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Cl)c2[nH]1 587264034 IZXADCWRNVOOPE-RTHLEPHNSA-N 391.771 3.567 5 1 GHBF CC(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587049965 KXSYBTUHBXVVAY-UHFFFAOYSA-N 375.728 3.658 5 1 GHBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1[N+](=O)[O-] 587265178 LRHBYQPKBATTSH-UHFFFAOYSA-N 382.298 3.577 5 1 GHBF COc1cc2c3sc4ccccc4c(=O)c3n(CCN(C)C)c2cc1OC 1857610698 DKVWLOMOQOURQW-UHFFFAOYSA-N 382.485 3.948 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 29477567 ZMAILMAHUAIISP-GKIIRVOLSA-N 383.448 3.583 5 1 GHBF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 64637984 LLYVWRMMXRUSEG-KRWDZBQOSA-N 383.404 3.900 5 1 GHBF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574213 DSZJMJYRYRNIHL-RXVVDRJESA-N 391.335 3.816 5 1 GHBF COc1cc2c3c(c1)O[C@](C)(Cc1c([N+](=O)[O-])ccc(F)c1F)[C@@H](C2)C3=O 587425594 FMTHWGRIRSNAAM-HXPMCKFVSA-N 375.327 3.630 5 1 GHBF CC(C)COc1cccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587565756 JSZNLQJLXZDMBS-UHFFFAOYSA-N 386.364 3.993 5 1 GHBF CCN(CC)CCn1c(=O)c2c(C)c3oc4ccccc4oc3c(C)c2c1=O 1651589 OQDGXVGEKPCJDB-UHFFFAOYSA-N 380.444 3.813 5 1 GHBF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587111320 AFEZRJPBYAPBNB-QGZVFWFLSA-N 392.337 3.890 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587414055 RJEQUXJHBYNWII-GTNSWQLSSA-N 390.189 3.855 5 1 GHBF CCN(CC)CCn1nc2c3c(O)cccc3sc3c(NCCN)ccc1c32 29327355 KEFNFXXOSRCKGW-UHFFFAOYSA-N 397.548 3.822 5 1 GHBF O=C1C[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587510379 KOGYLXRZCQTJPV-QGZVFWFLSA-N 384.344 3.794 5 1 GHBF O=[N+]([O-])c1ccc(O[C@H]2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(F)c1 40861162 WCZGKUJBGXNQGS-CWPLJXCYSA-N 399.426 3.691 5 1 GHBF CCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134441 PAZNBUZXCVAHDL-UHFFFAOYSA-N 385.468 3.992 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587747804 QEGMADUDTBKOTK-XLFHBGCDSA-N 394.244 3.876 5 1 GHBF CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])nc23)CC1 13523643 FXZBOGLCSOPCIH-UHFFFAOYSA-N 379.420 3.533 5 1 GHBF Cc1cccc(CNc2ncc([N+](=O)[O-])c(NCC3CCC(CN)CC3)n2)c1C 28898569 BCHYIPDVESELSI-UHFFFAOYSA-N 398.511 3.791 5 1 GHBF COc1ccc(-n2c(=O)c3ccccc3n3c4nc5ccccc5c-4nnc23)cc1 101618374 XJFMWPOLFVRHMI-UHFFFAOYSA-N 393.406 3.695 5 1 GHBF CC(C)(Oc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586994968 BLUHHGRMHIXLOV-UHFFFAOYSA-N 377.198 3.943 5 1 GHBF O=[N+]([O-])c1cccc(CCc2nc3ccc(I)cc3[nH]2)c1 587269443 CPKCIJXSUYXPPO-UHFFFAOYSA-N 393.184 3.861 5 1 GHBF Nc1cccc(Br)c1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O 587936561 WBVNFHOHDMIVGV-UHFFFAOYSA-N 390.193 3.808 5 1 GHBF Cc1ccccc1CN1CCCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 200051909 JUPBOJQIJMKSKX-LJQANCHMSA-N 396.447 3.606 5 3 GHBF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccccc1[N+](=O)[O-] 95598432 NUEUOYDJTCBTAY-INIZCTEOSA-N 385.445 3.847 5 1 GHBF Cc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980008 MIVRABJXDQTUOM-UHFFFAOYSA-N 376.166 3.907 5 1 GHBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2NC(=O)CCC(=O)O)cc1 587646436 ALYALSPOYAVRAT-UHFFFAOYSA-N 383.360 3.555 5 1 GHBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 27555788 DUUULCZHOOURRO-NSHDSACASA-N 377.784 3.755 5 1 GHBF CN(C)CCN1C(=O)c2cccc3cc(-c4cccc([N+](=O)[O-])c4)cc(c23)C1=O 66100154 YPJWSZCPOVPZHT-UHFFFAOYSA-N 389.411 3.573 5 1 GHBF COc1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Br 586976025 BDSXVRQUNFKTRE-HYXAFXHYSA-N 375.182 3.808 5 1 GHBF COc1ccc(/C=C/Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(OC)c1 587930940 XPFJCZLIWUUUPT-ONEGZZNKSA-N 384.348 3.652 5 1 GHBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cs1 587019662 SRSOGJPGTAZYNI-UHFFFAOYSA-N 395.404 3.557 5 1 GHBF COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 587160495 TYGNFJXBGCFFGH-UHFFFAOYSA-N 394.156 3.826 5 1 GHBF CCCc1c(O)ccc2c1OC1(CCN(c3ncccc3[N+](=O)[O-])CC1)CC2=O 587472337 GXNKHLAXVYWLIL-UHFFFAOYSA-N 397.431 3.652 5 1 GHBF COc1ccc2sc3c(c2c1)N(Cc1cccc([N+](=O)[O-])c1)CCNC3=O 3647219 ZIJMBZFYYQTRSY-UHFFFAOYSA-N 383.429 3.568 5 1 GHBF Cc1cc(Cl)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)NC(C)C 103186395 JLXKLFYWCJSKHD-UHFFFAOYSA-N 375.812 3.947 5 1 GHBF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)c([N+](=O)[O-])c1OC 26666225 QAQTVIRECIKEHP-KRWDZBQOSA-N 381.432 3.831 5 1 GHBF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccncc1F 26743571 TYDCSBIODGKAMY-UHFFFAOYSA-N 395.272 3.586 5 1 GHBF CC(C)[N+](C)(C)C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 29551023 FZZWJXWMIZICKI-SFHVURJKSA-N 382.480 3.685 5 1 GHBF O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 28960284 DHVHARBJHYISLV-UHFFFAOYSA-N 392.415 3.767 5 1 GHBF CCCCCCOC(=O)c1cc(=O)c(O)c2oc3cc(N(C)C)ccc3nc1-2 653792970 UIPVJDQGHMQGBX-UHFFFAOYSA-N 384.432 3.802 5 1 GHBF Cc1c(Br)ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269078 KEWPQCZSUCBLDA-UHFFFAOYSA-N 390.193 3.934 5 1 GHBF Cc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3nc2NCCCN(C)C)cc1 1857613713 MYSRKPANUYKBPX-UHFFFAOYSA-N 394.479 3.822 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1[N+](=O)[O-])[C@@H](C2)C3=O 587413286 MLSHDXIJZVOYNF-BTDLBPIBSA-N 390.189 3.855 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587089152 YFJTVEMQJNKKDA-SSDOTTSWSA-N 387.184 3.983 5 1 GHBF Cc1cc(F)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 587269763 OMJYOCKYQVLARG-UHFFFAOYSA-N 382.395 3.938 5 1 GHBF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1cc2cc([N+](=O)[O-])ccc2o1 53312592 POHISOOOOXJVGV-KRWDZBQOSA-N 376.372 3.557 5 1 GHBF CC[C@H]1CC[C@H](OC(=O)[C@H]2C(C)=NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719592 UGSGQZFMWQBJPK-NBMRYCAZSA-N 387.436 3.948 5 1 GHBF CC1=Nc2[nH]ncc2[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724281 DYEIBCPQVRZFSX-HZPDHXFCSA-N 381.417 3.872 5 1 GHBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)NCCc2cc(C)c(F)cc21 962296151 FAKOQGFGWDUHID-KDHISYJLSA-N 384.407 3.660 5 1 GHBF Cc1ccc(C)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587266749 NZRNUYUHLSHZKT-PIGZYNQJSA-N 385.380 3.530 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)O2 587376821 KPLYMMJJNKRBFV-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF O=C(O)CCCCC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299820677 CSQDHCOWCCSSKH-UHFFFAOYSA-N 382.376 3.722 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587269311 ALABWPVDBLULPO-AWEZNQCLSA-N 384.399 3.810 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)O2 587389928 NWIAHUCUVAOQKY-SFHVURJKSA-N 378.388 3.592 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015836 ARFODBAOSNLCDP-GYCJOSAFSA-N 399.450 3.940 5 1 GHBF CC(=O)C[C@H](O)C[C@H](O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](C)O 2356698252 OIWOVMZWYLGFJQ-RBVMOCNTSA-N 386.532 3.988 5 1 GHBF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccc1[N+](=O)[O-] 26577388 UQDUODRSYJTCBO-SXWSKBOKSA-N 393.421 3.660 5 1 GHBF C[N+]1(CCO[P@](=O)(O)OCCCCC=C2CCCCC2)CCOCC1 27861322 WGCURXIKUVSNOM-UHFFFAOYSA-O 376.454 3.658 5 1 GHBF O=Cc1c[nH]c2c1ccc1c3ccccc3n(CCCCn3cc(CO)nn3)c12 73199213 LEKFNUHVYFCLDC-UHFFFAOYSA-N 387.443 3.653 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587745104 GHMASXJTCQPBGX-PWJLMRLQSA-N 380.217 3.702 5 1 GHBF Cc1cc2c(c([N+](=O)[O-])c1)N(CC(=O)c1cc3ccccc3s1)C(=O)C2=O 28470738 XEVFUFOADRVCGQ-UHFFFAOYSA-N 380.381 3.530 5 1 GHBF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1[N+](=O)[O-] 587277009 WGXDEMIOPKYPGF-UHFFFAOYSA-N 391.177 3.530 5 1 GHBF CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 473086668 BZGFLOBTIMHTLV-UHFFFAOYSA-N 376.376 3.514 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c([N+](=O)[O-])c1 587263750 DCGAYOWUJABJPV-UHFFFAOYSA-N 395.144 3.872 5 1 GHBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O 587472720 LOANMBPVUUQLHJ-FQEVSTJZSA-N 387.388 3.848 5 1 GHBF O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586968975 FJUZZESERKXBTR-UHFFFAOYSA-N 397.372 3.542 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])O2 587390979 TYELSOPZOAPGNG-SFHVURJKSA-N 394.387 3.718 5 1 GHBF COc1cc2ccc3c4cc5c(cc4c(OC)[n+](C)c3c2cc1OC)OCO5 40866450 OKZVWVMZNUNIHN-UHFFFAOYSA-N 378.404 3.725 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3cnc1c1c2c2ccccc2n1CCCO 13488701 DMEHEIPOGZDIPF-UHFFFAOYSA-N 395.418 3.762 5 1 GHBF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586906673 FSHHAJZAIXAYOH-MRVPVSSYSA-N 390.193 3.814 5 1 GHBF O=C(O)Cc1c(-c2cc(Br)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587643704 IPGLTZFNPTVIRL-UHFFFAOYSA-N 391.177 3.838 5 1 GHBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1 587939043 AYMQBIFWKWWULA-UHFFFAOYSA-N 376.166 3.621 5 1 GHBF O=C(Nc1nc(-c2cccc(NC(=O)C3CC3)c2)cs1)c1ccc([N+](=O)[O-])o1 653866650 UCZLAQRRUHNDMD-UHFFFAOYSA-N 398.400 3.912 5 1 GHBF CCN(CC)CCN(CC)Cc1ccc2oc3cccc4c(=O)[nH]nc(c2c1)c34 35996977 SKURGNZTNIKREY-UHFFFAOYSA-N 392.503 3.986 5 1 GHBF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3[N+](=O)[O-])ccc12 96905455 BRYAEZJOXHQZAU-IBGZPJMESA-N 381.413 3.523 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1[N+](=O)[O-] 587160992 INBWKASWNXZPLK-UHFFFAOYSA-N 381.117 3.948 5 1 GHBF Nc1ccc(C(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587251750 MRRHONUMSSGEFC-UHFFFAOYSA-N 389.209 3.631 5 1 GHBF COc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)C[C@H]1CC[C@H](O)CN1C3 14947644 SKOPGSSLKSDTHF-KGLIPLIRSA-N 377.440 3.612 5 1 GHBF biogenic Cc1ccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c([N+](=O)[O-])c1 1857572521 UVMHTWNWLFNCOE-UHFFFAOYSA-N 388.431 3.524 5 1 GHBF O=C(O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 28478290 BNIKPXHBJXAQLZ-VBKFSLOCSA-N 378.340 3.710 5 1 GHBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(C)=O 96937408 STQIIKFTHBYVQC-UHFFFAOYSA-N 388.399 3.652 5 1 GHBF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c[nH]1 587060356 CHSDWRCOEDFUCQ-UHFFFAOYSA-N 384.758 3.800 5 1 GHBF O=[N+]([O-])c1ccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587148619 CSHGGDUMCLTDEO-UHFFFAOYSA-N 391.668 3.603 5 1 GHBF CC(C)(C)[C@]1(COc2ccccc2[N+](=O)[O-])NCCc2nc3ccccn3c21 962986281 RXSGKNPHNDGEGA-OAQYLSRUSA-N 380.448 3.709 5 1 GHBF C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857651342 JCYVSPDBXITMPG-LBPRGKRZSA-N 383.400 3.765 5 1 GHBF CCC1=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)[CH]C=C1 2356820273 FEFSGLSMOXZLKN-UHFFFAOYSA-N 397.192 3.710 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1[N+](=O)[O-] 587005814 URHYXFWEKWSAQP-UHFFFAOYSA-N 398.560 3.857 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587743467 AUCBPIYLHGILAD-HUTHGQBESA-N 395.228 4.000 5 1 GHBF CCCCSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1 101616238 TZRKGAKLOSZQPB-INIZCTEOSA-N 377.466 3.966 5 1 GHBF CN(C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)C1CCCC1 61958628 URQZCNRFVAIGCI-UHFFFAOYSA-N 381.432 3.791 5 3 GHBF Cc1cccc(NC(=O)c2cnc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)n1 299859325 XAQYRNXVYLEUBS-UHFFFAOYSA-N 389.415 3.508 5 1 GHBF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C(F)(F)C1 587132074 IOOCXKMYXFAYTM-MRVPVSSYSA-N 386.330 3.580 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)O2 587388949 HXNSVGUINNFRSF-QFIPXVFZSA-N 389.411 3.977 5 1 GHBF Cc1ccnc2c1CCN[C@@H]2c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 963073580 VVGMOSXBJFSSAN-HXUWFJFHSA-N 391.427 3.818 5 1 GHBF CC(=O)NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC(C)CC1 587234396 MCXHCZOAVGLTIB-UHFFFAOYSA-N 395.257 3.775 5 1 GHBF CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2cc(F)ccc12 587636090 QFYKBUFDXCVRDA-UHFFFAOYSA-N 386.335 3.642 5 1 GHBF C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772627648 ZLFWFIZYALOODH-ZDUSSCGKSA-N 375.328 3.633 5 1 GHBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccccc3C(F)(F)F)C2)ccc1CO 1857765410 KRIVCDWTBFSCTN-INIZCTEOSA-N 395.381 3.792 5 1 GHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Cl)c2[nH]1 587264032 IZXADCWRNVOOPE-RMLUDKJBSA-N 391.771 3.567 5 1 GHBF O=C(c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82135661 ODLAKHLUKVOLJO-UHFFFAOYSA-N 395.463 3.668 5 1 GHBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587109681 SAGWSLAETNMNLH-UHFFFAOYSA-N 396.237 3.763 5 1 GHBF CCOc1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c([N+](=O)[O-])c1 962731753 UFPGYPTZVSEICH-RDJZCZTQSA-N 394.349 3.729 5 1 GHBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973272 JTFSWHGDRQFOMR-KSSFIOAISA-N 396.777 3.697 5 1 GHBF CC1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149510 CBFFTYGSDQBNIL-UHFFFAOYSA-N 395.463 3.524 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587747848 QKVZDPDPMDKKEW-PWJLMRLQSA-N 380.217 3.702 5 1 GHBF CCCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1Br 1772584553 UCOYKTXSOGZLES-UHFFFAOYSA-N 386.227 3.855 5 1 GHBF C[C@H]1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CCN1C 95589849 FPXFGQWJDCLQGG-ZDUSSCGKSA-N 388.855 3.641 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncc(Cl)c2[nH]1 587264841 UHNYDFUGHYVNII-VIFPVBQESA-N 390.783 3.871 5 1 GHBF Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1C 587266600 LLOZJIFATCCYPH-APPDUMDISA-N 385.380 3.530 5 1 GHBF COC(=O)Nc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587391690 XDMGVVRRJADBQK-LJQANCHMSA-N 385.376 3.544 5 1 GHBF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12 587649153 ROWXOPAQZNRFQB-UHFFFAOYSA-N 389.408 3.587 5 1 GHBF CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccn1 14970315 ORVWQBMMSOERJJ-UHFFFAOYSA-N 375.403 3.881 5 1 GHBF CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148532 RNLYBRURUIVYOA-KBXCAEBGSA-N 397.479 3.816 5 1 GHBF CCCC/C=C\CCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 219814634 JPNOKZQZVLXQNC-JCMVTEASSA-O 386.553 3.527 5 1 GHBF in-vitro CC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 73195723 VWAVXLLFKHFOAL-CQSZACIVSA-N 385.323 3.914 5 1 GHBF O=[N+]([O-])c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587030065 WOGNNDDJXMFBGT-UHFFFAOYSA-N 376.401 3.993 5 1 GHBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432875 MBWXRIYNCOHONU-SZNDQCEHSA-N 383.400 3.837 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1[N+](=O)[O-] 587579124 YWBUTJVCPVJLBD-YLJYHZDGSA-N 379.324 3.709 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587747122 MAWPFXMFBNDWAD-XLFHBGCDSA-N 393.212 3.933 5 1 GHBF Cc1cc(C)n(C[C@@]2(c3cccc([N+](=O)[O-])c3)NCCc3ccc(F)c(C)c32)n1 962303901 YIRQVHJPWGTFOB-QFIPXVFZSA-N 394.450 3.945 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C2)C3=O 587421286 JUHASOXEQOWXKJ-SJCJKPOMSA-N 377.299 3.694 5 1 GHBF O=[N+]([O-])c1cnc(/C=C/c2ccccc2)n1CCn1cc(-c2ccccc2)nn1 1857651081 LWQDPPVHXZIEIC-VAWYXSNFSA-N 386.415 3.920 5 1 GHBF CC[C@H](C)NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135594 HQVXCNFTXLKCCK-ZDUSSCGKSA-N 383.452 3.935 5 1 GHBF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2=O 587472111 YIMVLTQMURSWTE-PXNSSMCTSA-N 385.420 3.969 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC[N+](=O)[O-])c1ccccc1 587575344 JKAMHWIATIYECB-KNQAVFIVSA-N 391.379 3.916 5 1 GHBF CCOC(=O)C(C)(C)Oc1ccc(Br)c(/C=C(\Cl)[N+](=O)[O-])c1 1857555159 BOQBSUNAYCDUCW-XYOKQWHBSA-N 392.633 3.984 5 1 GHBF CC(=O)Nc1ccc([C@@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 29336532 IWWDOLZYGUECGB-NRFANRHFSA-N 394.431 3.864 5 1 GHBF COCC[N@@+]1(C)CCC[C@@H](C(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 253681459 AUIUWDZZXQWWOQ-QRQCRPRQSA-N 392.541 3.994 5 1 GHBF CCNCCCO[C@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 473158382 WHPLMMBIOGNDRX-KRWDZBQOSA-N 375.472 3.960 5 1 GHBF CCCOc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277342 UATKPAJQOPFOAC-SECBINFHSA-N 394.229 3.828 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(F)c(F)c3[nH]2)CC1 587270726 ZNGUSGKZPYCDLS-UHFFFAOYSA-N 386.358 3.769 5 1 GHBF CC[C@H]1CC[C@H](OC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 169719591 UGSGQZFMWQBJPK-RNJTYBCJSA-N 387.436 3.948 5 1 GHBF Cc1c(Br)cnc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 587148437 ADCSYAIYHGGZJX-UHFFFAOYSA-N 381.161 3.655 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587743485 AUCBPIYLHGILAD-XYZCENFISA-N 395.228 4.000 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587747124 MAWPFXMFBNDWAD-XYZCENFISA-N 393.212 3.933 5 1 GHBF COc1ccc(C[C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c([N+](=O)[O-])c1 963636753 RYYJSCYSRMUWIW-ZSEKCTLFSA-N 386.448 3.613 5 1 GHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)CC(=O)c1cccc([N+](=O)[O-])c1 963632083 FJVQELMKYWRBLJ-LRTDBIEQSA-N 384.432 3.634 5 1 GHBF CCc1cnc(-c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)s1 82225300 KTPKKKNRQICXOI-UHFFFAOYSA-N 385.449 3.796 5 1 GHBF O=C1c2c(c3c4cc(O)ccc4[nH]c3c3ccccc23)C(=O)N1CCc1cnc[nH]1 13679837 PRBVEWSZTJQROD-UHFFFAOYSA-N 396.406 3.742 5 1 GHBF O=[N+]([O-])c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)s1 1857558255 PLGJTEIPKPHTIM-UHFFFAOYSA-N 379.511 3.630 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)c(C)c1[N+](=O)[O-] 587268071 WLHOHNRVEPNMKH-UHFFFAOYSA-N 387.403 3.876 5 1 GHBF Cc1cc(N(C)Cc2nc3ccc(Br)nc3[nH]2)c([N+](=O)[O-])cc1F 587137412 YXGSTLBIMOQOON-UHFFFAOYSA-N 394.204 3.713 5 1 GHBF O=[N+]([O-])c1ccc2c(Nc3cccc(I)c3)ncnc2c1 3815357 FFODKADEKHPVKK-UHFFFAOYSA-N 392.156 3.886 5 1 GHBF Cc1cc(NCCc2ccccc2)nc(NC(=N)Nc2cccc([N+](=O)[O-])c2)n1 45191951 FKKWTXVTUZNUKH-UHFFFAOYSA-N 391.435 3.807 5 1 GHBF O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 66080350 KRGUNKABNQYYST-PMACEKPBSA-N 384.436 3.694 5 1 GHBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccc(C(F)(F)F)cc1 73156657 CQXXTFQXVYVGGA-QHCPKHFHSA-N 376.337 3.536 5 1 GHBF CCCCCCNC[C@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 96933358 PIAWKPIHZRUTLC-HNNXBMFYSA-N 385.460 3.561 5 1 GHBF Cc1cc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2cc1[N+](=O)[O-] 587060567 JLQGYRUHLJAPHX-UHFFFAOYSA-N 380.795 3.969 5 1 GHBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587272989 CJBCMDDICDMPNC-UHFFFAOYSA-N 394.229 3.574 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)cc(Br)c2[nH]1 587269358 BIWIFXVQZRKTKN-LBPRGKRZSA-N 379.189 3.615 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc([N+](=O)[O-])c1O 587559397 WWJGPFFWWFAHFA-OXQOHEQNSA-N 397.314 3.848 5 1 GHBF O=C(CCCN1C(=O)c2ccccc2C1=O)c1coc2cc([N+](=O)[O-])ccc12 587279884 SAWBCXNVFCYOQY-UHFFFAOYSA-N 378.340 3.600 5 1 GHBF O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1F 587120039 OIZVSPGSOISEJC-UHFFFAOYSA-N 383.305 3.753 5 1 GHBF Cc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1[N+](=O)[O-] 962669679 QBHWAZVYGZISOI-UGKGYDQZSA-N 391.427 3.639 5 1 GHBF O=C(Nc1ccc(S(=O)(=O)C2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1 198454496 UWLJSLHPKGMRJW-UHFFFAOYSA-N 378.406 3.547 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(OC)c([N+](=O)[O-])c14)[C@@H](C2)C3=O 587432655 YKTRQCROXXTENH-PRWKNARSSA-N 380.356 3.582 5 1 GHBF COc1cccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC 82086279 PPCRTGGCTUSRDC-UHFFFAOYSA-N 399.428 3.666 5 1 GHBF CCCOC(=O)c1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43 95593177 PMNMMXASLCMZRP-UHFFFAOYSA-N 392.480 3.849 5 1 GHBF O=C(CCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cn1 587081652 SILZIFFACPNTJB-UHFFFAOYSA-N 389.755 3.633 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cncc(Br)c3[nH]2)c1 587262849 YXGVTJFWVPZHEF-UHFFFAOYSA-N 377.198 3.559 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747417 QEDBGYXUZFPUOI-XIKOKIGWSA-N 393.256 3.837 5 1 GHBF Cc1nc(NCc2ccc(C(F)(F)F)cc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821412 MYZNQYXGDDOAOF-UHFFFAOYSA-N 392.341 3.818 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2[N+](=O)[O-])N1 587752339 RHFFNWRQDANDQU-JDNHERCYSA-N 380.217 3.689 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587747850 QKVZDPDPMDKKEW-VPTHRUTESA-N 380.217 3.702 5 1 GHBF O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCNc1ccnc2cc(Cl)ccc12 1857634507 FOYBGQBYGGCIQH-UHFFFAOYSA-N 396.790 3.505 5 1 GHBF COCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 199790606 BIWVYLZTDPJSTO-UHFFFAOYSA-N 389.415 3.678 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1cccc([N+](=O)[O-])c1C2 587574948 HEOOVHQZLCLJLI-UGKGYDQZSA-N 389.363 3.800 5 1 GHBF CC(=O)Nc1ccc([C@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 29336536 IWWDOLZYGUECGB-OAQYLSRUSA-N 394.431 3.864 5 1 GHBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587203413 NTXGVBHQEDUOFJ-UHFFFAOYSA-N 381.392 3.988 5 1 GHBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587243970 DUHDVWDZECUQTL-UHFFFAOYSA-N 377.360 3.611 5 1 GHBF COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579622 SNCPQBKESZHNCX-KRWDZBQOSA-N 392.839 3.537 5 1 GHBF NCc1ccc(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])cc1 28898813 PYODZGWTIFVFTJ-UHFFFAOYSA-N 398.854 3.721 5 1 GHBF O=[N+]([O-])c1cncc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165926 HQJYEEHHYMTJEK-UHFFFAOYSA-N 394.391 3.972 5 1 GHBF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434773 ZMVAIBMBLWBFCY-ZRTRKKQLSA-N 394.427 3.630 5 1 GHBF Cc1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 587268776 FBCRCNXFCWRKOG-UHFFFAOYSA-N 390.193 3.934 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cnc3[nH]2)c1 587262038 LTUNDYRBIOPRCC-UHFFFAOYSA-N 377.198 3.559 5 1 GHBF COC(=O)c1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2C 2473944 PYYNKZRQHIFQDJ-OAQYLSRUSA-N 380.400 3.911 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(O)c1 587578681 WRXYCKXUYXJWQJ-XLIONFOSSA-N 379.324 3.709 5 1 GHBF Cc1cccc([N+](=O)[O-])c1C(=O)c1c(CO)oc2cc(Br)cnc12 587277067 YEPDTUAUXUUPEW-UHFFFAOYSA-N 391.177 3.530 5 1 GHBF CC(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1 64499300 XDEKWHAPMKDKKH-GFCCVEGCSA-N 388.453 3.557 5 1 GHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)c(O)c3[nH]2)c1 587261414 BGJKGQLGBUDDND-UHFFFAOYSA-N 392.209 3.869 5 1 GHBF COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1OC 587265806 TXKZCCRSDXGUHR-VIFPVBQESA-N 387.352 3.570 5 1 GHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCc2ccc([N+](=O)[O-])cc2CC1 963632063 FHFZRWYKXXPZPC-JLCFBVMHSA-N 382.460 3.921 5 1 GHBF O=C(C(c1ccccc1)c1ccccc1)N1CC[N+]([O-])(Cc2cccnc2)CC1 13729118 RTLDGXJSLFCQSJ-UHFFFAOYSA-N 387.483 3.571 5 1 GHBF CCOc1n[nH]c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1Cl 587064459 AXQLMMHHLSXKIK-UHFFFAOYSA-N 386.593 3.676 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3ccc([N+](=O)[O-])n3)o1)CC2=O 587468649 AHPRQSDWJXTXKF-GOSISDBHSA-N 397.387 3.797 5 1 GHBF COC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587512207 VQIIRAPFFTXZMZ-SFHVURJKSA-N 381.384 3.967 5 1 GHBF C[C@@]1(c2ncccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573895 DISCNCXEFZETIZ-OXJNMPFZSA-N 378.340 3.572 5 1 GHBF CC(C)CCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 139016531 UHYXSZAIACYGFZ-HHHXNRCGSA-N 388.441 3.807 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747206 NBRIHECDJBBHIK-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432437 KBUSIRUQOSYANM-KKSFZXQISA-N 376.368 3.883 5 1 GHBF COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2nc(C)ccc2c1 13818049 MAMCLHLVWFBEGY-UHFFFAOYSA-N 387.417 3.569 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(C2C3CC4CC(C3)CC2C4)ccc1O 29472901 IJBWZLKLPSKEQH-CSUJJWTNSA-N 383.448 3.655 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(F)c2[nH]1 587269876 SKDBIZWPHXRCBC-UHFFFAOYSA-N 394.156 3.764 5 1 GHBF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434720 ZMVAIBMBLWBFCY-DLMMLCEKSA-N 394.427 3.630 5 1 GHBF COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)OCc1ccccc1 587646741 JONLMXVHBPPVCJ-UHFFFAOYSA-N 383.360 3.540 5 1 GHBF [O-][n+]1c2ccc(Br)cc2[n+]([O-])c2cc(OCc3ccccc3)ccc21 64548893 FRLGAQSOBBNSLX-UHFFFAOYSA-N 397.228 3.601 5 1 GHBF CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82135395 VDLYLXWACNJPAU-UHFFFAOYSA-N 395.463 3.524 5 1 GHBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c5c(ccc4oc23)O[C@@H](C(C)(C)O)C5)O1 299861692 IPZLYHHWMKIEGP-QGZVFWFLSA-N 394.423 3.910 5 1 GHBF Cc1cc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587110838 DTECZPJVDRPXMI-UHFFFAOYSA-N 378.310 3.728 5 1 GHBF COc1cc2c3c(c1)O[C@]1(CCCc4cc(OC)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587434410 UTTGNDFEBMASCU-BTYIYWSLSA-N 381.384 3.591 5 1 GHBF COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163455 BNOVZTYRUXJNIG-UHFFFAOYSA-N 383.408 3.772 5 1 GHBF COc1cc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc(OC)c1OC 253676671 IIWNKXJTEFNJSN-PRCFCKQXSA-N 392.516 3.668 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)c(F)c2[nH]1 587268472 ZLAJZIYRBSAFHP-UHFFFAOYSA-N 382.193 3.741 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587744366 DRNRDAGYVGULJC-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587746044 IQVDTHYCYJAKNU-XLFHBGCDSA-N 393.212 3.933 5 1 GHBF COc1ccc(C(=O)c2c(C)n(CC[N+]3([O-])CCOCC3)c3ccccc23)cc1 13742535 PIPWBVVXMQURGR-UHFFFAOYSA-N 394.471 3.534 5 1 GHBF CC[C@H]1C[N+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 40475071 PGKZPKIXLHMKOH-MMOMWPDNSA-N 383.512 3.961 5 1 GHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)c(F)c(F)c2[nH]1 587265680 SDAFOHPVLJIDPW-LURJTMIESA-N 381.270 3.970 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747152 PGKAOHSEWPDNGZ-SGTLLEGYSA-N 393.256 3.837 5 1 GHBF O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)[C@@H](O)c1ccccc1 1857611758 BKKOAXSJYPKYQV-SFHVURJKSA-N 398.415 3.513 5 1 GHBF Cc1cc(OCCN(C)C)c2cc3c(OCCN(C)C)cc(C)nc3c(C)c2n1 27324044 NFLXOPUYYBYXPM-UHFFFAOYSA-N 396.535 3.589 5 1 GHBF C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccc(Cl)cc1)N1CCCCC1 73158425 TXMQKSRNNXQQRH-NRFANRHFSA-N 379.952 3.823 5 1 GHBF Cc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587270790 OVXKGEOMNLZJOI-ZDUSSCGKSA-N 375.226 3.785 5 1 GHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587276829 NTEFPGKZAMJQJC-SSDOTTSWSA-N 390.272 3.520 5 1 GHBF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](C)C[C@H](OC(C)C)N1C 103216540 UKGJYRXXEHLFME-CJNGLKHVSA-N 382.892 3.725 5 1 GHBF Cc1cc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587196958 DKYQEQVAABDNQR-ZDUSSCGKSA-N 390.440 3.696 5 1 GHBF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775803 UBRIFBQVPSVDIV-LLVKDONJSA-N 395.843 3.701 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3ccc(Br)cc3[nH]2)nn1CC(F)(F)F 587093220 YGUOWBDNGYGFMD-UHFFFAOYSA-N 390.119 3.659 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587263680 NOYQGYAWYAMTEN-JTQLQIEISA-N 399.359 3.551 5 1 GHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587266917 CLVFBAJUQLGYME-ZETCQYMHSA-N 390.272 3.634 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc([N+](=O)[O-])cc1 587576015 MEWULQDSPCHVDL-RBUKOAKNSA-N 377.352 3.873 5 1 GHBF C[C@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2c([N+](=O)[O-])cnc2S1 1772631899 IAOBTTWVMZCKKP-CQSZACIVSA-N 389.355 3.771 5 1 GHBF O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCC(N3CCCC3)CC2)c(C(F)(F)F)c1 72125858 GGDRUMFWJMVPFG-UHFFFAOYSA-N 388.346 3.586 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747362 NCYFXNKHMJBFLC-ZKANADHPSA-N 381.201 3.826 5 1 GHBF COCCNc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587261458 BYXNORHMWIRSHJ-UHFFFAOYSA-N 384.289 3.753 5 1 GHBF CCN(CC)CCn1nc2c3cc(OC)ccc3n(C)c3c([N+](=O)[O-])ccc1c23 27102509 MTSDQDLBGCDMQM-UHFFFAOYSA-N 395.463 3.940 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1O 587578243 VOGYMDBIXIJDCB-PXNSSMCTSA-N 379.324 3.709 5 1 GHBF COc1ccc2c(CN3CCC[C@@H]3C(=O)O)cc3cc4c(cc3c2c1)OCO4 28706160 ZNEVPUCBRGFKFM-LJQANCHMSA-N 379.412 3.779 5 1 GHBF COc1ccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1F 45302439 SKELMKBRDSXODG-INIZCTEOSA-N 399.378 3.584 5 1 GHBF N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1F 587143658 CSNPWOVLMQYCMB-LBPRGKRZSA-N 379.189 3.615 5 1 GHBF Cc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cccc1[N+](=O)[O-] 587260942 MLSRKKMWWWZISK-UHFFFAOYSA-N 376.166 3.907 5 1 GHBF Cc1ccc(C)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc12 587262969 JRVGRAKELFUKDE-UHFFFAOYSA-N 393.447 3.571 5 1 GHBF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1ccc(O)c([N+](=O)[O-])c1 73161050 FGYXWZJTVBZDNP-HNNXBMFYSA-N 395.396 3.587 5 1 GHBF Cc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12 1538911 XTNHPYASATZYFN-UHFFFAOYSA-N 390.487 3.575 5 1 GHBF CCOC(=O)c1sc2c(=O)n(CC)nc(-c3cccc([N+](=O)[O-])c3)c2c1C 1663336 KQGNTSRCGCOTAJ-UHFFFAOYSA-N 387.417 3.538 5 1 GHBF CC1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149526 XDEDQMFLFSGSKO-UHFFFAOYSA-N 395.463 3.746 5 1 GHBF O=C(Nc1cccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1)c1ccc(F)cc1 587163962 PLGYGAUJZQIVNB-UHFFFAOYSA-N 377.335 3.925 5 1 GHBF COCCNc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1[N+](=O)[O-] 587262296 QDHXVEHXNKLFEA-UHFFFAOYSA-N 382.207 3.898 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)O2 587389576 LSAAWLFQWISXLO-JOCHJYFZSA-N 389.411 3.977 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587747805 QEGMADUDTBKOTK-XYZCENFISA-N 394.244 3.876 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434355 UBPUGUVASXZPBS-YCRPNKLZSA-N 380.400 3.692 5 1 GHBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2nsc3ccccc23)CC1 299825060 VIXSHQOPCGGOJO-UHFFFAOYSA-N 383.433 3.559 5 1 GHBF Cc1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1Br 586979454 NCAXBEXURDGREX-UHFFFAOYSA-N 392.169 3.821 5 1 GHBF COCCNc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1[N+](=O)[O-] 587261752 HRWHKDVQHZSAJK-UHFFFAOYSA-N 382.207 3.898 5 1 GHBF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575604 JQOUWTNAGRKAPM-NQIIRXRSSA-N 391.335 3.816 5 1 GHBF CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82149000 XOLVKYXOHGYUBJ-UHFFFAOYSA-N 395.463 3.524 5 1 GHBF CCN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1 95592834 OTWKATJZXRXYER-UHFFFAOYSA-N 388.855 3.642 5 1 GHBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587749893 ZYVNEMBKJCELCF-PWJLMRLQSA-N 396.216 3.524 5 1 GHBF CCN(CC)CCNc1ccc(CNC)c2sc3ccc(O)cc3c(=O)c12 100808742 GXGNEFMHYVAYFW-UHFFFAOYSA-N 385.533 3.593 5 1 GHBF Cc1cc(C)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 587079094 HDMNPBIXGJTUNG-UHFFFAOYSA-N 386.799 3.950 5 1 GHBF COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587229123 PGUWUVLTMZDSDF-UHFFFAOYSA-N 385.380 3.741 5 1 GHBF COP(=O)(OC)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 103205046 SAJOEADCYLYPHA-KRWDZBQOSA-N 395.304 3.702 5 1 GHBF CN(C(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1)C1CCCC1 61958624 UGSPBBRUXWYXPP-UHFFFAOYSA-N 381.432 3.791 5 3 GHBF Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1O 29478151 WIOREJGGOLGIIO-IURMSMQVSA-N 383.448 3.583 5 1 GHBF COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc3ccccc3n2c1C=O 73261852 RKRPQCQEHCRJSJ-UHFFFAOYSA-N 383.385 3.954 5 1 GHBF O=C(NCCO)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73129520 STOZRKAVIYTVMX-UHFFFAOYSA-N 383.245 3.959 5 1 GHBF Cc1cc(C)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 587262477 AHEPNZYSILBINS-UHFFFAOYSA-N 393.447 3.571 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C[N+](=O)[O-])(c2ccccc2)N1 587743659 FENOOLQOQSFROB-APPDUMDISA-N 379.229 3.643 5 1 GHBF COc1ccc2c(C)c(CCc3nc4cccc([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C 586919267 YMCOKPQJZGMHFN-UHFFFAOYSA-N 393.399 3.988 5 1 GHBF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 45347905 WKINMCZMZMUBOO-UHFFFAOYSA-N 386.367 3.755 5 1 GHBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCc1ccccc1 587554048 IQRKXEPHKFHDQL-UHFFFAOYSA-N 390.355 3.590 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccc([N+](=O)[O-])cc1C2 587576504 OWLZUKYCPYNCTL-DENIHFKCSA-N 389.363 3.800 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587265342 WQJPLBHWIRBVCI-OLMNPRSZSA-N 393.443 3.802 5 1 GHBF N=c1[nH]c2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc-2c(Cl)[nH]1 587273397 SPBYSNAZFNWARM-UHFFFAOYSA-N 382.767 3.738 5 1 GHBF C[C@]1(c2cccc(O)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579402 ZMMOYPQXYAMDCX-DYESRHJHSA-N 393.351 3.883 5 1 GHBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973273 JTFSWHGDRQFOMR-RDTXWAMCSA-N 396.777 3.697 5 1 GHBF C[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc2ccccc2c1 13828835 NBYDTKHBOBSXNW-ORAYPTAESA-N 396.424 3.656 5 1 GHBF NCCCc1cc2c(Br)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28955943 QVNAEWDNNFUYSB-UHFFFAOYSA-N 397.276 3.725 5 1 GHBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc3ccccc23)CC1 95589189 COUROXWHMHIUCJ-UHFFFAOYSA-N 390.443 3.752 5 1 GHBF COc1cc2c3c(c4ccc(OCCO)cc4c2cc1OC)CN1CCC[C@H]1C3 103187328 KFMHDPQGPQMNJL-HNNXBMFYSA-N 393.483 3.902 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587748823 WQOXGEINBWILIR-XYZCENFISA-N 393.212 3.933 5 1 GHBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1CC(=O)O 1857749108 KIMGMXAXVXCCJI-UHFFFAOYSA-N 379.803 3.658 5 1 GHBF COc1cc2cnc3c4ccnc(NCCN(C)C)c4ccc3c2cc1OC 49808583 AUNAUWFXPHSQMP-UHFFFAOYSA-N 376.460 3.927 5 1 GHBF COc1ccc(OC(=O)c2ccccc2)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1 95559913 WLPNPNPOOAPONF-UHFFFAOYSA-N 399.384 3.531 5 1 GHBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]cc1[N+](=O)[O-] 587860358 RVYKWJAKHQCCEP-UHFFFAOYSA-N 396.190 3.575 5 1 GHBF COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2[n+]([O-])c2ccccc12 26818818 YBEOAYIBFDLFOR-NRFANRHFSA-N 387.391 3.660 5 1 GHBF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)OC1=O 40763386 UPPOSAPVQMWSQE-FQEVSTJZSA-N 383.448 3.828 5 1 GHBF CSc1nn(-c2ccccc2)c2nc(-c3cccc([N+](=O)[O-])c3)nc(O)c12 64453752 CBKCYZUEFXTWBK-UHFFFAOYSA-N 379.401 3.818 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587089153 YFJTVEMQJNKKDA-ZETCQYMHSA-N 387.184 3.983 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Cl)nc2[nH]1 587264845 UJQNCBUHIWSICM-VIFPVBQESA-N 390.783 3.871 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc([N+](=O)[O-])c1 587577536 SIUKRCRILHGPKU-XLIONFOSSA-N 379.324 3.709 5 1 GHBF CN(C)CCOc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587139879 RFGPWTCHOVFESI-UHFFFAOYSA-N 378.791 3.871 5 1 GHBF CC(=O)O[C@H]1C[N+]2(COC(=O)[C@@H](c3ccccc3)C3CCCC3)CCC1CC2 27526591 GCUSKIYKUNJONT-GNBVAXDKSA-N 386.512 3.633 5 1 GHBF COc1cccc2cc3c(nc12)[C@@H](c1nc2cc([N+](=O)[O-])ccc2o1)NCC3 963058338 OBHWABJFDUXTAN-IBGZPJMESA-N 376.372 3.528 5 1 GHBF O=[N+]([O-])c1cn2c(n1)O[C@H](COCc1ccc(-c3ccc(F)cc3)cc1)CC2 1772652246 DGRMQZIVDZKENK-SFHVURJKSA-N 383.379 3.965 5 1 GHBF COc1cc(Cl)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587066742 GSHAFMNAXIHPMN-UHFFFAOYSA-N 375.768 3.833 5 1 GHBF CC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 28824995 COTBQFNLEKCQQT-UHFFFAOYSA-N 378.601 3.740 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2[N+](=O)[O-])N1 587747808 QFRAAGBIEOLSTC-VPTHRUTESA-N 381.201 3.826 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cc(Br)c2[nH]1 587269466 OGAHLMCBOIKJFR-UHFFFAOYSA-N 394.156 3.764 5 1 GHBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2NC(=O)CCC(=O)O)cc1 587647087 PGSWQOKDCYZXMM-UHFFFAOYSA-N 383.360 3.555 5 1 GHBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C(=O)OC)cc([N+](=O)[O-])c2)N1 962941376 DROULMLFIPWQFG-LIRRHRJNSA-N 379.416 3.876 5 1 GHBF C[S@@](=O)c1cc(OC2CCCC2)c2oc3ccc(C(=O)O)cc3c(=O)c2c1 139016778 MIHABJMOONZUBF-MHZLTWQESA-N 386.425 3.703 5 1 GHBF Cc1cc2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2cc1[N+](=O)[O-] 587244853 MZIPINIGNJRILN-UHFFFAOYSA-N 391.387 3.919 5 1 GHBF Cc1cc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2cc1[N+](=O)[O-] 587014314 PMAXOJIDURRQDA-UHFFFAOYSA-N 389.437 3.928 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586906899 BBEPSCJXORTIRG-UHFFFAOYSA-N 388.177 3.872 5 1 GHBF COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN3CCCC3)c2c1 27526828 URCBZTZGTMTTPA-UHFFFAOYSA-N 379.420 3.683 5 1 GHBF CN(C)CCCNc1ccnc2c1ccc1c(NCCCN(C)C)ccnc12 39403223 USPGQPPAYRFLTM-UHFFFAOYSA-N 380.540 3.510 5 1 GHBF C[C@H](Sc1ncccn1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586963309 ZRGQNLRUKSUUSH-ZETCQYMHSA-N 380.227 3.877 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587126265 WBZXHOQSAQIEQV-UHFFFAOYSA-N 399.151 3.940 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OCc3ccccc3)cc1)CC2 1772619312 NSHORQOFCYMJTI-IBGZPJMESA-N 395.415 3.738 5 1 GHBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1ccccc1F 473118009 JVRJBWGKKRDQQM-UHFFFAOYSA-N 399.378 3.675 5 1 GHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)cc([N+](=O)[O-])c1)CC2=O 587472692 KQKXRADBZAMURO-GOSISDBHSA-N 385.372 3.746 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 587747358 NCYFXNKHMJBFLC-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2csc(-c3ccc([N+](=O)[O-])cc3)n2)N1 962920812 MEZRCIRSANAARP-WMLDXEAASA-N 399.403 3.546 5 1 GHBF OCCC1CCN(Cc2ccc3oc4cccc5c(O)nnc(c3c2)c45)CC1 35907126 XPNFAFRXKIXGTN-UHFFFAOYSA-N 377.444 3.829 5 1 GHBF O=c1c2c(OC[C@@H]3CO3)cc(OC[C@@H]3CO3)cc2oc2ccc3ccccc3c12 45394357 ZNHJPKNXLKDJDD-CVEARBPZSA-N 390.391 3.655 5 1 GHBF COc1cc(/C=C/c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 96284425 NGCAUSATIANLHG-RUDMXATFSA-N 383.360 3.841 5 1 GHBF COCCOc1ccc(-c2nc3cc(OC)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587264833 KNGDEGAOIOTSRC-UHFFFAOYSA-N 377.784 3.825 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)nc(C)cc2[nH]1 587264870 UVXBIDQEVBKADT-GFCCVEGCSA-N 384.392 3.834 5 1 GHBF COc1cc(OCc2nc3cc(Br)c(F)cc3[nH]2)ccc1[N+](=O)[O-] 587262538 BTXFPZLEVSABGZ-UHFFFAOYSA-N 396.172 3.960 5 1 GHBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nc([N+](=O)[O-])cc1C 587623160 MOBINSTWMABTTQ-UHFFFAOYSA-N 375.186 3.517 5 1 GHBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 13863185 PFYNLXMDGKPGAM-NSHDSACASA-N 377.784 3.755 5 1 GHBF CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 28526818 CQGLKNOXIUXETG-INIZCTEOSA-N 386.795 3.515 5 1 GHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 587868243 JIPRYJGAAXEJGW-UHFFFAOYSA-N 392.293 3.569 5 1 GHBF COc1c([N+](=O)[O-])ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(F)F 587383818 VVLNVMRISJQHAT-CQSZACIVSA-N 394.330 3.802 5 1 GHBF CCOC(=O)c1cc2c(C(=O)c3ccc([N+](=O)[O-])cc3)c(C(C)=O)ccc2[nH]1 1650335 WRARGOMTFVQXBJ-UHFFFAOYSA-N 380.356 3.686 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccc(OC)c1[N+](=O)[O-])CC2=O 587473096 PVTGOOXHNZTDAN-KRWDZBQOSA-N 387.388 3.977 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)cc2[N+](=O)[O-])N1 587748820 WQOXGEINBWILIR-VVVCHXIZSA-N 393.212 3.933 5 1 GHBF CC[C@H]1C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 211035119 NLSMUKLVXQHTTD-CSKJQLPZSA-N 384.476 3.829 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586959179 JGDDMKSPUYOLOG-MUUNZHRXSA-N 392.440 3.904 5 1 GHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 587269340 LPPGHNDTAUFHIT-UHFFFAOYSA-N 381.266 3.761 5 1 GHBF O=Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574215 DSZJMJYRYRNIHL-WIYYLYMNSA-N 391.335 3.816 5 1 GHBF CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1 28457938 NXFKIAJSLLCRTH-UHFFFAOYSA-N 382.332 3.532 5 1 GHBF CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1Br 586979395 LUEMLZMOZZRGMR-UHFFFAOYSA-N 386.593 3.676 5 1 GHBF Cc1cc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2cc1[N+](=O)[O-] 587029236 KSMVUMDFDLRANP-UHFFFAOYSA-N 381.417 3.929 5 1 GHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 587263472 AADCQZAHVAULIA-ANRSDYALSA-N 391.771 3.567 5 1 GHBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587265191 MIJRCRZAUIDTEZ-JTQLQIEISA-N 384.289 3.577 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587270865 SLOBVDDLNMUNSJ-JTQLQIEISA-N 396.632 3.525 5 1 GHBF O=[N+]([O-])c1ccc2nc(CSCc3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]c2c1 1857752255 SVWGOWOZTHCVHJ-UHFFFAOYSA-N 384.377 3.689 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CC[C@H](O)CN1C3 95555754 RHTBCPPXWPNYSU-CABCVRRESA-N 393.483 3.900 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C[N+](=O)[O-])(c2ccccc2)N1 587743678 FENOOLQOQSFROB-GTNSWQLSSA-N 379.229 3.643 5 1 GHBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccs2)c2c[nH]nc2N1 64447622 SNSUWROLNSMLDF-INIZCTEOSA-N 381.417 3.850 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)S(=O)(=O)c1ccccc1 28712330 YRTABAIHXKKSSF-FQEVSTJZSA-N 395.436 3.863 5 1 GHBF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587646508 DHYLZBWEMVIIMT-UHFFFAOYSA-N 397.387 3.679 5 1 GHBF COCCOc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587264654 HDIDBINAZWGOPC-UHFFFAOYSA-N 383.191 3.865 5 1 GHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 587267278 WIQHUIUHRJSTBB-ZETCQYMHSA-N 396.285 3.966 5 1 GHBF CNCCc1c(OC)c(OC)c(OC)c2c1ccc1cc(OC)c(OC)cc12 14765573 VMIFHEUVQQHIOK-UHFFFAOYSA-N 385.460 3.798 5 1 GHBF endogenous,in-man COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@@H](O)CCN1C3 68267590 CNGIXIUEFVKHFX-CABCVRRESA-N 393.483 3.900 5 1 GHBF CCN1CC[C@@H](CN(Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2)OC1=O 40565223 OCZAEHYLNZUFCF-FQEVSTJZSA-N 383.448 3.828 5 1 GHBF O=[N+]([O-])c1cnc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Br)c1 587872742 PSYQEFALOXNLCQ-UHFFFAOYSA-N 377.129 3.850 5 1 GHBF Cc1ccc2c(ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c32)n1 587091950 JWSURQDMFHSLCV-UHFFFAOYSA-N 376.298 3.754 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc([N+](=O)[O-])c1O)O2 587374996 AXIWAUJZLRDTID-CQSZACIVSA-N 393.193 3.660 5 1 GHBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CC[C@H]3CO 14945598 OELQUMLEFCYDQY-NSHDSACASA-N 395.418 3.792 5 1 GHBF CC[C@@H](C)Nc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134944 HTSXCTAQJPMOCW-CQSZACIVSA-N 385.468 3.990 5 1 GHBF COCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174847 WNAPULXZCMJTNS-UHFFFAOYSA-N 385.449 3.850 5 1 GHBF CCCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1O 587434694 YPEAGQJDEFPZMK-XCLFUZPHSA-N 385.372 3.587 5 1 GHBF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587232950 DNOJZQIMDMUDBR-VHSXEESVSA-N 391.384 3.540 5 1 GHBF COc1cc2sc(-c3c(-c4ccc([N+](=O)[O-])o4)n[nH]c3N)nc2cc1F 114398494 CLCLSYVWFTZWMB-UHFFFAOYSA-N 375.341 3.585 5 1 GHBF COc1ccc(CCNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1OC 82160701 UJJXNUQCRVVFRN-UHFFFAOYSA-N 380.404 3.724 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 587578695 WVWUHAKNVNHWRS-FXAWDEMLSA-N 379.324 3.709 5 1 GHBF Cc1cc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c(C)n1 587270609 WPIUKEUNSFRAAM-UHFFFAOYSA-N 379.420 3.503 5 1 GHBF CCc1ccc(NC(=O)Cc2cs/c(=N\c3cccc([N+](=O)[O-])c3)n2C)cc1 29124719 TUSQDPKEEUWPGG-XDOYNYLZSA-N 396.472 3.971 5 1 GHBF CCCCc1cc(=O)oc2cc(OCc3nc4cc([N+](=O)[O-])cnc4[nH]3)ccc12 586919203 WZZSEYBZKVFWCJ-UHFFFAOYSA-N 394.387 3.894 5 1 GHBF N=c1[nH]c(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cs1 587022492 XUBDMDOBYJESBX-UHFFFAOYSA-N 382.361 3.582 5 1 GHBF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587039186 QVPTWMZPQFHLFO-UHFFFAOYSA-N 396.816 3.990 5 1 GHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587117836 LPXKWBSZLJKFLW-UHFFFAOYSA-N 395.675 3.975 5 1 GHBF N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F 587145364 XOFIIJMZXPSIMY-NSHDSACASA-N 379.189 3.615 5 1 GHBF CCOC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269044 IJDZSFPVNFDEKZ-UHFFFAOYSA-N 380.404 3.915 5 1 GHBF COc1ccc2c(CN3CCC[C@H]3C(=O)O)cc3cc4c(cc3c2c1)OCO4 28706133 ZNEVPUCBRGFKFM-IBGZPJMESA-N 379.412 3.779 5 1 GHBF CC(C)CN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82134455 IZHCDAZBQSPTTA-UHFFFAOYSA-N 399.495 3.872 5 1 GHBF O=[N+]([O-])c1cccc(CN=c2ccc(NCc3cccc([N+](=O)[O-])c3)c[nH]2)c1 1857544258 KMQLVBNHLFLNBM-UHFFFAOYSA-N 379.376 3.544 5 1 GHBF NCC1CCC(CNc2nc(Nc3cccc(Cl)c3)ncc2[N+](=O)[O-])CC1 28898337 XWIXFBKCZKHECC-UHFFFAOYSA-N 390.875 3.959 5 1 GHBF O=[N+]([O-])c1ccccc1OC1[C@H](Cn2ccnc2)CCC[C@@H]1Cn1ccnc1 101612993 RHRSDNZBNPXJIS-XEWABKELSA-N 381.436 3.552 5 1 GHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587276830 NTEFPGKZAMJQJC-ZETCQYMHSA-N 390.272 3.520 5 1 GHBF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647363 WYWXXQLFVWBBJE-UHFFFAOYSA-N 397.387 3.679 5 1 GHBF O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 28523893 YCAJVGJEWCQJII-ATVHPVEESA-N 378.340 3.710 5 1 GHBF CC[C@H]1C[N@@+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 253782627 PGKZPKIXLHMKOH-JFBPHBBWSA-N 383.512 3.961 5 1 GHBF O=[N+]([O-])c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587001039 BZMQXCDSFIRQHH-UHFFFAOYSA-N 386.209 3.826 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587265340 WQJPLBHWIRBVCI-JLSDUUJJSA-N 393.443 3.802 5 1 GHBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973268 JTFSWHGDRQFOMR-KBXCAEBGSA-N 396.777 3.697 5 1 GHBF CN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 2957346 BSROCCWFMWKAGT-UHFFFAOYSA-N 377.831 3.773 5 1 GHBF COc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC 587926081 HLDNOVQSJJHREG-UHFFFAOYSA-N 392.209 3.842 5 1 GHBF CC(=O)N(C1=NN(C(C)=O)[C@H](c2ccc([N+](=O)[O-])s2)S1)c1ccccc1 169338336 RLOCUCWEQXSTGI-HNNXBMFYSA-N 390.446 3.574 5 1 GHBF CC[C@H]1CC[C@@H](OC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 101085658 VMAFDRIMEKGECP-MZMPZRCHSA-N 387.436 3.735 5 1 GHBF N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1 586998159 YLSLGQJUWPBEMZ-LLVKDONJSA-N 379.189 3.615 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587749823 ZMOBZTBFOGDTNY-XYZCENFISA-N 393.212 3.933 5 1 GHBF COc1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c([N+](=O)[O-])c1 587868235 IWAQYLGTWYXANR-UHFFFAOYSA-N 394.309 3.879 5 1 GHBF Cc1nc(OCc2cccc(OC(F)(F)F)c2)c2nc([N+](=O)[O-])cn2c1C 1857577982 NQLBYQGEPWGTEO-UHFFFAOYSA-N 382.298 3.732 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1[N+](=O)[O-] 587266990 DFCZNMHHYDRLOD-UHFFFAOYSA-N 392.375 3.908 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)OC)c1[N+](=O)[O-])CC2=O 587472923 ONCBVSIYVLHHIX-KRWDZBQOSA-N 385.372 3.746 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587743477 AUCBPIYLHGILAD-VVVCHXIZSA-N 395.228 4.000 5 1 GHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(Cl)c2[nH]1 587277593 YYDOGACEQZPUNS-ZETCQYMHSA-N 384.621 3.887 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2)N1 587746399 JUJKRLYUJNLGRX-XLFHBGCDSA-N 395.228 4.000 5 1 GHBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 587925851 QYZZSXAEPNSLQA-UHFFFAOYSA-N 386.364 3.572 5 1 GHBF COc1cc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc(OC)c1OC 253676667 IIWNKXJTEFNJSN-CEXJFXJFSA-N 392.516 3.668 5 1 GHBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] 587262056 NAMCYHBLZCSMOY-UHFFFAOYSA-N 381.314 3.610 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[N+]1([O-])CCC[C@H]1[C@H]3O 14824825 KYCJLNMNKCNMOB-FQCMXHLOSA-N 381.428 3.740 5 1 GHBF biogenic,in-vitro O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 169328428 DMYHKTJEXMPDQP-UHFFFAOYSA-N 396.359 3.762 5 1 GHBF C[n+]1cccc(C(=O)OCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 13524846 OPBKUTIQGQAKMH-UHFFFAOYSA-N 382.440 3.791 5 1 GHBF O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 103203529 NOZTXKPOILRNQZ-UHFFFAOYSA-N 391.412 3.679 5 1 GHBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)cc2c1Nc1ccccc1O2 103299721 YWKYULOVDKKRPO-UHFFFAOYSA-N 399.384 3.951 5 1 GHBF COc1cc(C[C@H](O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OC 653717483 QITXVDXFKIOKRU-IBGZPJMESA-N 380.400 3.950 5 1 GHBF COc1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1 653849917 WKFXZLJNYLTJEW-UHFFFAOYSA-N 388.361 3.854 5 1 GHBF COc1cc(C(=O)c2cccc(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 1857582485 XPVIMXOCTQJBKA-UHFFFAOYSA-N 394.383 3.914 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cccc(C2C3CC4CC(C3)CC2C4)c1O 29478042 UYJGVYWDPXVTHY-LQENBVOKSA-N 383.448 3.655 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587748497 VDJVEFGNIQGDQS-VVVCHXIZSA-N 394.244 3.876 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2[N+](=O)[O-])N1 587749819 ZMFVZVDGDUAOMQ-XXFAHNHDSA-N 380.217 3.689 5 1 GHBF CC1(C)C=Cc2c(cc3oc4ccc5c(c4c(=O)c3c2O)C=C[C@](C)(CO)O5)O1 14766821 AVSIAACNDNIRAQ-HSZRJFAPSA-N 392.407 3.993 5 1 GHBF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[N+](=O)[O-])(c2ccccc2)N1 587745988 KZIXHRXBFBGWMZ-DIFFPNOSSA-N 379.229 3.643 5 1 GHBF CS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587050365 PLGXMJDWXOUISP-XVNBXDOJSA-N 377.809 3.698 5 1 GHBF COc1cc2c3c(c1)O[C@@H](C(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1)[C@@H](C2)C3=O 587434429 VDUYUBDPKASQGV-XGHQBKJUSA-N 381.428 3.898 5 1 GHBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1[N+](=O)[O-])OCO3)CC2=O 587471832 WCQBQZNCFPMUPP-HXUWFJFHSA-N 385.372 3.862 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1O 587579047 XXQVXZHWKGUCSW-OXQOHEQNSA-N 379.324 3.709 5 1 GHBF O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc([N+](=O)[O-])cc1 4888099 PYTIZZYLOBXTSM-ZNXRZULTSA-N 385.489 3.972 5 3 GHBF CN(c1ccc([N+](=O)[O-])cc1OCc1cccc2ccccc12)S(C)(=O)=O 35324145 KZQJBCOKANUZDL-UHFFFAOYSA-N 386.429 3.723 5 1 GHBF CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 13726465 GWLYGKHENDIOMW-UHFFFAOYSA-N 380.426 3.503 5 1 GHBF CC(C)SC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169321949 FBPKYMHTLUSOQT-ZDUSSCGKSA-N 388.441 3.526 5 1 GHBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c(N)cccc1Br 587935784 QCJPWGVUHNIZDW-JTQLQIEISA-N 398.257 3.957 5 1 GHBF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc([N+](=O)[O-])c3)ccc12 1857569157 FXVXNIHWINSHOT-UHFFFAOYSA-N 383.356 3.524 5 1 GHBF CN1C(=O)C[C@H]2CN[C@@](c3ccccc3)(c3ccccc3[N+](=O)[O-])c3cccc1c32 963018851 FAMHEJFOXQLMQC-FYSMJZIKSA-N 399.450 3.940 5 1 GHBF CN1CCN(CCCCn2c3ccccc3c(=O)c3cc(Cl)ccc32)CC1 29037570 CKDICEFNYLKMNH-UHFFFAOYSA-N 383.923 3.836 5 1 GHBF O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 13740014 GNFJSZALBYKAJJ-UHFFFAOYSA-N 375.336 3.755 5 1 GHBF CC1=Nc2[nH]ncc2[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724261 JYUQECFASOQQRF-MSOLQXFVSA-N 375.388 3.811 5 1 GHBF COc1ccc(S(=O)(=O)Nc2ccc3nc(O)c4ccccc4c3c2)cc1 1857607328 WNGCKQYAOPWPOK-UHFFFAOYSA-N 380.425 3.903 5 1 GHBF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431439 DZYSIBAWQHKWJX-YCRPNKLZSA-N 381.384 3.807 5 1 GHBF C[C@]1(COc2ccc(-c3ccc(F)nc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 1772623695 QZLYEICOLMOYGW-LJQANCHMSA-N 384.367 3.613 5 1 GHBF COc1ccc(Cc2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1 40827907 IMLKITTVBIYYQV-UHFFFAOYSA-N 387.395 3.893 5 1 GHBF O=[N+]([O-])c1cc(Br)cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586908858 TTWVTSNCQVKQKO-UHFFFAOYSA-N 388.177 3.872 5 1 GHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Cl)c2[nH]1 587264691 JPUUHZLHASECNL-LURJTMIESA-N 380.723 3.740 5 1 GHBF CNCCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O 13554118 XYIJINQWIOZSGI-UHFFFAOYSA-N 396.450 3.922 5 1 GHBF CCCc1c2nc(C(=O)O)cc(C(F)F)c2cc2c(=O)cc(C(=O)O)oc12 29233862 XANHJEYTSRXVTN-UHFFFAOYSA-N 377.299 3.628 5 1 GHBF Cc1cn2c(CO)c(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc2cn1 64447544 SUSZSJCKMGGOHX-UHFFFAOYSA-N 390.399 3.684 5 1 GHBF CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N1 96929765 RWMDAJDCHJKXFL-SFHVURJKSA-N 396.472 3.643 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2[N+](=O)[O-])N1 587745713 IFINMGOBKGEQNP-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF COC(=O)c1ccc(C[C@@H](O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 1857761504 WLCIPALIXRJKAX-HXUWFJFHSA-N 378.384 3.720 5 1 GHBF O=C(c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82148930 RXULABKCIIBQGL-UHFFFAOYSA-N 381.436 3.642 5 1 GHBF CN1C(=O)C[C@H]2CN[C@@H](c3cccc(C(F)(F)F)c3[N+](=O)[O-])c3cccc1c32 963030963 SIWMKTYYOKCMPN-DYZYQPBXSA-N 391.349 3.756 5 1 GHBF CC(C)(C)C(=O)Nc1nnc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 103231255 YWQVHOLBLKARCY-UHFFFAOYSA-N 375.454 3.698 5 1 GHBF O=C(O)CSc1ncccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586969690 ZJUVHRPULSVKPZ-UHFFFAOYSA-N 387.424 3.898 5 1 GHBF CC(C)(C)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270999 VXMJXCJGTIAMAT-INIZCTEOSA-N 395.463 3.667 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747205 NBRIHECDJBBHIK-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF COc1cc2c(=O)n(CCCN(C)C)c3c4ccncc4ccc3c2cc1OC 71294644 KVBXTESBYHSATP-UHFFFAOYSA-N 391.471 3.672 5 1 GHBF COc1ccc(-c2nc3cc(S(N)(=O)=O)cc4oc5ccccc5n2c34)cc1 95587893 KHTXDXWWZKIZAB-UHFFFAOYSA-N 393.424 3.557 5 1 GHBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587243981 FHIZJBYNRTVYGW-UHFFFAOYSA-N 395.350 3.750 5 1 GHBF CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br 587275187 YKPVOPLQHCVKTC-UHFFFAOYSA-N 394.229 3.669 5 1 GHBF O=C(NC1CC1)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)cc1 587644631 IXYIRNPRSFUFKH-UHFFFAOYSA-N 383.791 3.853 5 1 GHBF O=[N+]([O-])c1cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587080255 BJBNPMUGHQIYON-UHFFFAOYSA-N 391.778 3.896 5 1 GHBF C[C@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O 1772580553 OOEYCYRNAHHRGX-GDJIYFAZSA-N 399.428 3.543 5 1 GHBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cc([N+](=O)[O-])ccc1Cl 100025590 ZWRCMVHKUKUTSC-NWCRWOLESA-N 380.784 3.669 5 1 GHBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587926099 HNUHDHGPCRUMIL-LLVKDONJSA-N 386.364 3.938 5 1 GHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)cc(Cl)c3[nH]2)n1 587272767 BJLQJUOQCCQAIR-UHFFFAOYSA-N 384.621 3.716 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1F 587168260 HHGZCPZKHCUGDG-UHFFFAOYSA-N 382.330 3.874 5 1 GHBF CC(C)(C)OC(=O)N1CCc2onc(-c3cc(Cl)ccc3[N+](=O)[O-])c2C1=O 209983086 BNQOTJZNYIKMMB-UHFFFAOYSA-N 393.783 3.837 5 3 GHBF O=[N+]([O-])c1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029742 TUGGCWKAVJURDX-UHFFFAOYSA-N 376.401 3.993 5 1 GHBF CCOc1ccccc1[C@@](N)(c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(F)(F)F 587091556 FWEBLSACVZIINM-MRXNPFEDSA-N 398.316 3.774 5 1 GHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccnc(Br)c3[nH]2)c1 587269505 PETMDHTYDQRWIT-UHFFFAOYSA-N 388.225 3.896 5 1 GHBF CCCCOc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br 587275160 XFTAJDIAKZLOFP-UHFFFAOYSA-N 394.229 3.813 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587417470 KYTDAYPREASKCE-SJCJKPOMSA-N 390.189 3.855 5 1 GHBF C[C@@H](Nc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1)c1ccccc1 28898636 KOLPTTNAAHLCKG-QQFBHYJXSA-N 384.484 3.735 5 1 GHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccccc1 299849684 QDQZWRSHLGBPSP-YYTDSSBASA-N 385.423 3.608 5 1 GHBF C[C@]1(c2cc([N+](=O)[O-])ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572959 ANOOJMIULLEDIX-WIYYLYMNSA-N 392.367 3.760 5 1 GHBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929584 OOJZICCVLMYSBQ-PWRODBHTSA-N 379.460 3.969 5 1 GHBF CC1=Nc2[nH]ncc2[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 169724263 JYUQECFASOQQRF-ROUUACIJSA-N 375.388 3.811 5 1 GHBF COc1cc2c(cc1OC)[C@](C)(CC(=O)c1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C2 962643395 WYINPOIFIMBANE-FPTDNZKUSA-N 398.459 3.977 5 1 GHBF O=[N+]([O-])c1cc(-c2cncs2)ccc1C[C@@H](O)c1ccc(-n2cncn2)cc1 1857647947 CDQHMKCRWHADNU-GOSISDBHSA-N 393.428 3.575 5 1 GHBF COc1ccc(Cn2nc(OCc3ccccn3)c3cc([N+](=O)[O-])ccc32)cc1 1647167 GVAJNWZEAFSSRT-UHFFFAOYSA-N 390.399 3.975 5 1 GHBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)C[C@@H](C(C)(C)O)O2 14610212 ZBFQACWPPVQWER-INIZCTEOSA-N 396.439 3.941 5 1 GHBF biogenic Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3)ccc12 96905457 AXFLFHWJPOLNDO-IBGZPJMESA-N 381.413 3.523 5 1 GHBF CCn1cc(Br)c(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)n1 587002320 YUVJPRGEURJBQG-UHFFFAOYSA-N 384.621 3.694 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3cccc(Br)c3[nH]2)c([N+](=O)[O-])c1 587265761 XDLUEEIJPDEOST-UHFFFAOYSA-N 377.154 3.733 5 1 GHBF Cc1cnc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587743641 BAWQVSFVEZWOMB-BMLIUANNSA-N 394.244 3.998 5 1 GHBF C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc([N+](C)(C)C)c2)c1 40918478 IFCAHYWTXKINIF-UHFFFAOYSA-P 390.524 3.729 5 1 GHBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929582 NIQXWMCAMSFQFU-PWRODBHTSA-N 379.460 3.969 5 1 GHBF C[C@@]1(c2ncccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573896 DISCNCXEFZETIZ-OXQOHEQNSA-N 378.340 3.572 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2[N+](=O)[O-])N1 587747807 QFRAAGBIEOLSTC-PWJLMRLQSA-N 381.201 3.826 5 1 GHBF CN(CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)c1ccccc1 13745772 WDBSRAOGIHCVQT-UHFFFAOYSA-N 381.476 3.969 5 1 GHBF CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150210 NGRXOYJOQNFTEP-HUUCEWRRSA-N 397.479 3.626 5 1 GHBF C[N+]1(CCF)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 100372359 OATDVDIMNNZTEY-XWALJWNASA-N 398.498 3.575 5 1 GHBF in-man COc1cccc2c(=O)c3cccc(C(=O)Nc4cc(Cl)ccn4)c3[nH]c12 49112442 RTHRZGNKRQCGAC-UHFFFAOYSA-N 379.803 3.991 5 1 GHBF COc1cc(C)c(N)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587248647 DHHWMMAIXRQPIM-UHFFFAOYSA-N 377.198 3.800 5 1 GHBF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434772 ZMVAIBMBLWBFCY-JUOHCQIYSA-N 394.427 3.630 5 1 GHBF C[C@]1(c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)NCCc2c(C(=O)O)cccc21 963120400 HLANEUKHGFKPOJ-QGZVFWFLSA-N 396.321 3.601 5 1 GHBF Cc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 587054503 LGPGMDMURRHYKK-HNNXBMFYSA-N 387.827 3.955 5 1 GHBF O=[N+]([O-])c1cccc(OCc2cn(Cc3ccc(Br)cc3)nn2)c1 653795358 LYOZGGWGSHBXMJ-UHFFFAOYSA-N 389.209 3.576 5 1 GHBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccc(F)cc3c2c(=O)n1CC(=O)O 1857749425 XSRVQEHUEGSJKR-UHFFFAOYSA-N 397.793 3.797 5 1 GHBF O=P(O)(O)OC[C@H]1O[C@@H](c2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1O 58650253 JJJZGYICTVDZQU-IPMKNSEASA-N 398.351 3.884 5 1 GHBF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587747120 MAWPFXMFBNDWAD-VVVCHXIZSA-N 393.212 3.933 5 1 GHBF CCn1c(=O)c2c3ccc(OC(C)=O)cc3[nH]c2c2ccc(OC(C)=O)cc21 1636367 CYUNOUQHNSMKSV-UHFFFAOYSA-N 378.384 3.507 5 1 GHBF N[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587157036 RAQNCFJINOITLJ-FVMDXXJSSA-N 391.200 3.714 5 1 GHBF N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587157038 RAQNCFJINOITLJ-XXFAHNHDSA-N 391.200 3.714 5 1 GHBF CC(C)[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OCc1ccccc1 587199198 ZPQXCJUALNIUOY-INIZCTEOSA-N 383.408 3.832 5 1 GHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 587264130 BXFHHIXPAXGPMR-JTQLQIEISA-N 399.363 3.714 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc([N+](=O)[O-])cn3)o1)CC2=O 587469374 DDVABIIZVSQOQF-IBGZPJMESA-N 397.387 3.797 5 1 GHBF O=Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575605 JQOUWTNAGRKAPM-RXVVDRJESA-N 391.335 3.816 5 1 GHBF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cccc([N+](=O)[O-])c12 587646338 OQRXKQASHOKRDO-UHFFFAOYSA-N 385.323 3.560 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[N+]1([O-])CCC[C@H]1[C@@H]3O 14824819 KYCJLNMNKCNMOB-OFSKKJKASA-N 381.428 3.740 5 1 GHBF biogenic,in-vitro CC[C@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82149754 XDZFMZBIJHWWFS-AWEZNQCLSA-N 385.468 3.672 5 1 GHBF COCCOc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1[N+](=O)[O-] 587265163 KYMDHNCJTRHHPB-UHFFFAOYSA-N 383.191 3.865 5 1 GHBF CCCCNC(COc1cccc([N+](=O)[O-])c1)COc1cccc([N+](=O)[O-])c1 2178320292 XJWFNGNUOOTYJG-UHFFFAOYSA-N 389.408 3.719 5 1 GHBF C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574734 GZFYEXJKNHBTMM-NQIIRXRSSA-N 393.351 3.883 5 1 GHBF COCCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587265301 OJRDCTSAPGXJDK-UHFFFAOYSA-N 392.209 3.926 5 1 GHBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3 28819503 ZPSSSRXXEFOJTF-ZDUSSCGKSA-N 381.435 3.768 5 1 GHBF O=[N+]([O-])c1cc2c(cc1OCCCN1CCN(c3ccc(F)cc3)CC1)CCC2 26500417 JYZCVVXQBINDKT-UHFFFAOYSA-N 399.466 3.814 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)O2 587391658 WOYJTCFRZBAKMV-GIWCCYDRSA-N 381.432 3.730 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587414047 RFPJCKZMWAYLRJ-SJCJKPOMSA-N 390.189 3.855 5 1 GHBF Cc1c(Br)ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587270508 LDTOKNBOBSGTIR-ZDUSSCGKSA-N 375.226 3.785 5 1 GHBF COc1ccc(C[C@H](C)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 587927678 WBXIZMFHISFZAK-JTQLQIEISA-N 386.364 3.743 5 1 GHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCc2ccc([N+](=O)[O-])cc2CC1 963632064 FHFZRWYKXXPZPC-PEBXRYMYSA-N 382.460 3.921 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586959180 JGDDMKSPUYOLOG-NDEPHWFRSA-N 392.440 3.904 5 1 GHBF C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574735 GZFYEXJKNHBTMM-RXVVDRJESA-N 393.351 3.883 5 1 GHBF Cc1ccccc1CNc1nc2ccc([N+](=O)[O-])cc2nc1NCCCN(C)C 1857533996 KXRJPLADGWORPN-UHFFFAOYSA-N 394.479 3.822 5 1 GHBF Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577944 UWYTXRBLHYTDBE-UWJYYQICSA-N 392.367 3.881 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)c1[N+](=O)[O-] 587266813 AYFVPUTXZVNFHE-UHFFFAOYSA-N 392.375 3.908 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 587059303 OADABYXTXCAARD-ZDUSSCGKSA-N 382.601 3.969 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587749481 YMTUZOYYYVIOED-XLFHBGCDSA-N 395.228 4.000 5 1 GHBF COc1ccc2c(c1OC)[C@@](C)(COc1ccccc1[N+](=O)[O-])N(C)[C@H](C)C2 962638803 XNWTUWBSXBJCEQ-SPLOXXLWSA-N 386.448 3.783 5 1 GHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c[nH]c2ccc(OC)c([N+](=O)[O-])c12 963632099 FRPAVUWBPCDBHJ-GIPWTMENSA-N 397.431 3.726 5 1 GHBF O=[N+]([O-])c1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1 40915956 QKPUKPAPNPYKRY-UHFFFAOYSA-N 397.504 3.776 5 1 GHBF in-vitro COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2cc1OC 587269334 LHJNETHWSIDDBE-UHFFFAOYSA-N 396.403 3.534 5 1 GHBF Cc1cc(Br)cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587271070 ZFWIDCLLIZNDSV-ZDUSSCGKSA-N 375.226 3.785 5 1 GHBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1[N+](=O)[O-] 587657000 PAVKUZOYTQZMHP-UHFFFAOYSA-N 380.310 3.634 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587745109 GHMASXJTCQPBGX-ZKANADHPSA-N 380.217 3.702 5 1 GHBF CC(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1 64499297 XDEKWHAPMKDKKH-LBPRGKRZSA-N 388.453 3.557 5 1 GHBF N=c1nc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c(Cl)[nH]1 587271386 BJEUCMYWDNEFDQ-UHFFFAOYSA-N 382.767 3.786 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1Br)[C@@H](C2)C3=O 587411599 FGIUMKSGQSMYKN-GTNSWQLSSA-N 390.189 3.855 5 1 GHBF CC(C)(C)c1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587274479 YAMGRERDKSPFKP-INIZCTEOSA-N 395.463 3.667 5 1 GHBF COC(=O)c1cc(Cl)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 587150518 LEXXMFDEBOJYQM-UHFFFAOYSA-N 379.731 3.629 5 1 GHBF O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)cc(Cl)c2[nH]1 587268603 GRNTZSPUYOJTFG-UHFFFAOYSA-N 382.605 3.894 5 1 GHBF Cc1ccc(C2=NO[C@H](COCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 45298923 PVOSVIXKGWGNPK-KRWDZBQOSA-N 394.387 3.663 5 1 GHBF COc1cc(OC)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(OC)c1 98085451 QVHKCMDRJMEIDC-UHFFFAOYSA-N 389.407 3.530 5 1 GHBF COc1cc(C[C@H](O)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])cc1OC 653721404 NASAAAVMONHHPU-IBGZPJMESA-N 380.400 3.950 5 1 GHBF COc1ccc([N+](=O)[O-])cc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl 13673964 PCUIJRGTGPLOIY-UHFFFAOYSA-N 384.175 3.872 5 1 GHBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOc1ccc(OCc3ccccc3)cc1)CC2 473084044 FHKCHHFSSXYJON-LJQANCHMSA-N 395.415 3.991 5 1 GHBF Cc1c(Br)cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1C 587266883 CBKLPDZHVUIFOX-JTQLQIEISA-N 378.230 3.965 5 1 GHBF Cc1cc(Br)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 587270703 YZGDQZAZNITJOL-UHFFFAOYSA-N 399.208 3.790 5 1 GHBF N=C(N)c1cccc(Oc2cc(Oc3ccccc3C(=N)N)ccc2[N+](=O)[O-])c1 29471500 RISPNJCORRYQND-UHFFFAOYSA-N 391.387 3.748 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587746124 JBLRDELYNYPRSK-ZKANADHPSA-N 381.201 3.826 5 1 GHBF O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccccc3C(F)(F)F)C2)ccc1CO 1857765411 KRIVCDWTBFSCTN-MRXNPFEDSA-N 395.381 3.792 5 1 GHBF O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1 103236543 BUGWMJKMSPUANT-DENIHFKCSA-N 385.379 3.961 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[N+](=O)[O-])(c2ccccc2)N1 587743682 FENOOLQOQSFROB-PIGZYNQJSA-N 379.229 3.643 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587746118 JBLRDELYNYPRSK-BCTVWOGZSA-N 381.201 3.826 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2[N+](=O)[O-])N1 587753917 XDBJWWGBBOCLFL-ABKXIKBNSA-N 380.217 3.689 5 1 GHBF N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1F 587144505 NGYBSMAAYQEOMK-NSHDSACASA-N 397.179 3.754 5 1 GHBF C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575991 LWLUEJWOMPGZLX-NQIIRXRSSA-N 392.367 3.760 5 1 GHBF O=[N+]([O-])c1ccc(C2=Cc3n[nH]c(O)c3[C@@H](c3ccc4c(c3)OCO4)C2)cc1 103182731 CLWYRSNXEKTLRI-OAHLLOKOSA-N 377.356 3.828 5 1 GHBF O=C1c2ccccc2[C@@](O)(c2ccc(F)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66103579 JDQPEVSGVBTFKP-NRFANRHFSA-N 378.359 3.583 5 1 GHBF O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(F)cc2)CC1 43065737 AUTMYWIQROXELN-JHMJBTLWSA-N 395.434 3.648 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2[N+](=O)[O-])N1 587749480 YMTUZOYYYVIOED-VVVCHXIZSA-N 395.228 4.000 5 1 GHBF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)c([N+](=O)[O-])c4[nH]1)(C3)C2 587969342 NAGWRWMNFBDBLZ-JIIRDLKHSA-N 390.237 3.880 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2[N+](=O)[O-])N1 587747802 QEGMADUDTBKOTK-HUTHGQBESA-N 394.244 3.876 5 1 GHBF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1cccc([N+](=O)[O-])c1 27865011 DEZIVKQLWGGXAY-IBGZPJMESA-N 397.431 3.858 5 1 GHBF O=[N+]([O-])c1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969410 KMBFYVDLFSSPCC-UHFFFAOYSA-N 397.372 3.542 5 1 GHBF O=C1COc2cc3[nH]c(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)nc3cc2N1 587268797 AHTQKBVKTYRPOK-UHFFFAOYSA-N 387.355 3.531 5 1 GHBF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC2=O 587472110 YIMVLTQMURSWTE-FXAWDEMLSA-N 385.420 3.969 5 1 GHBF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1cccc([N+](=O)[O-])c1 73157606 YAIRLEHVQRAOLB-HNNXBMFYSA-N 379.397 3.881 5 1 GHBF CCN(CC)CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 1772647478 MZCZDMHQYMGLJT-UHFFFAOYSA-N 376.460 3.623 5 1 GHBF O=C1c2cccc3c2c(cc2c4ccccc4sc32)C(=O)N1CCOCCO 653870757 TUKKWAYVURHTLC-UHFFFAOYSA-N 391.448 3.813 5 1 GHBF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 587020368 PMQLHDIAEPETLW-UHFFFAOYSA-N 375.410 3.865 5 1 GHBF CCN(CC)CCCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23 5114743 QLYLRFLMYPPPSP-UHFFFAOYSA-N 378.476 3.597 5 1 GHBF Cc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCN(C)CC3)c2c1 103273218 VJJNLRDYEDVRMN-UHFFFAOYSA-N 377.532 3.799 5 1 GHBF CCOC(=O)c1cc(Br)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 587268509 BBQBUIBUQPBDCL-UHFFFAOYSA-N 394.181 3.979 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587431408 DYEABPIPGUVWOO-LHSJRXKWSA-N 376.368 3.883 5 1 GHBF COc1cc(OC)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587264189 CXLYELHTVIRKAJ-VIFPVBQESA-N 387.352 3.570 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586895721 VSQJUVDIBQRFDI-UHFFFAOYSA-N 380.242 3.818 5 1 GHBF COC(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587110207 WDJOMFHCYAHDIC-UHFFFAOYSA-N 379.294 3.867 5 1 GHBF O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 103203535 LBRZYWBELPUVKO-UHFFFAOYSA-N 391.412 3.679 5 1 GHBF CCCCCCN(CCO)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 45339209 KUXFWJJOCUUKOU-UHFFFAOYSA-N 379.335 3.901 5 1 GHBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c5c(ccc4oc23)O[C@H](C(C)(C)O)C5)O1 299861691 IPZLYHHWMKIEGP-KRWDZBQOSA-N 394.423 3.910 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C[N+](=O)[O-] 587575089 IHVUUYFEUGPBTJ-UGKGYDQZSA-N 391.379 3.612 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261520 CCNLHJAGFDDIRF-JEZHCXPESA-N 389.761 3.896 5 1 GHBF Cc1c(O)ccc2c1[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1Cl)N[C@H](C(=O)O)C2 963474085 ULOVUZXIVVJWCZ-MGPLVRAMSA-N 397.214 3.604 5 1 GHBF CCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82147875 YAIRXXPNWHOGOX-UHFFFAOYSA-N 385.468 3.674 5 1 GHBF Cc1cnc(Cl)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 587268862 CCPVNMDCNPAEDE-UHFFFAOYSA-N 399.838 3.848 5 1 GHBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1 587272201 PSBVNFAEEGKTBZ-UHFFFAOYSA-N 381.373 3.715 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C=O)c([N+](=O)[O-])c2)N1 587749820 ZMOBZTBFOGDTNY-HUTHGQBESA-N 393.212 3.933 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Br)O2 587378039 RJGAKNUYQFFBIU-HNNXBMFYSA-N 377.194 3.954 5 1 GHBF Cc1ccc(C)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587266747 NZRNUYUHLSHZKT-DIFFPNOSSA-N 385.380 3.530 5 1 GHBF CC[C@H](C)NC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135604 MWKURWNUQRTNIV-AWEZNQCLSA-N 385.468 3.672 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434354 UBPUGUVASXZPBS-BTYIYWSLSA-N 380.400 3.692 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@@](C)(Cc3ccc(Cl)cc3[N+](=O)[O-])c3cccc1c32 963024804 LZRTZWLYOUBYIY-XCLFUZPHSA-N 385.851 3.759 5 1 GHBF O=C1NC(=O)c2c1c1c3ccc(CO)cc3[nH]c1c1c2c2cccc3c2n1CCC3 26956224 RMAIIHHXXXAWEU-UHFFFAOYSA-N 395.418 3.751 5 1 GHBF Cc1cc2c(cc1F)[C@@H](c1cccc(OCn3ccc([N+](=O)[O-])n3)c1)NCC2 962380433 WUFKIYOJVYTGMD-HXUWFJFHSA-N 382.395 3.510 5 1 GHBF CCCc1cc(=O)oc2c1c(OCCN1CCCC1)cc1oc([N+](=O)[O-])cc12 169342991 LMSVVYYLFIQYHC-UHFFFAOYSA-N 386.404 3.875 5 1 GHBF COc1cnc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1Cl 587065302 XOQVZGFNPWUWJO-UHFFFAOYSA-N 383.589 3.958 5 1 GHBF Cc1onc(-c2nc3cc(F)c(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078729 AJQNUWFXNFPFNJ-UHFFFAOYSA-N 394.725 3.611 5 1 GHBF O=[N+]([O-])c1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c([N+](=O)[O-])c1 587265658 WLAYKRDMSRMFPK-UHFFFAOYSA-N 395.144 3.872 5 1 GHBF CC[C@H]1CC[C@H](OC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 101055868 VMAFDRIMEKGECP-XCRHUMRWSA-N 387.436 3.735 5 1 GHBF CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163634 BGOQOWWYADGWST-UHFFFAOYSA-N 397.460 3.574 5 1 GHBF COC(=O)c1cc(Br)c2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1 587261015 PNEJORAZTIWMHD-UHFFFAOYSA-N 390.193 3.996 5 1 GHBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1n[nH]c(-c2ccccc2F)n1 587946914 ZJJGNJROQICNSX-NSHDSACASA-N 389.387 3.537 5 1 GHBF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12 587649749 YZBIBAGBYLHWHB-UHFFFAOYSA-N 389.408 3.587 5 1 GHBF CC(C)(C)[C@@]1(COc2ccccc2[N+](=O)[O-])NCCc2nc3ccccn3c21 962986279 RXSGKNPHNDGEGA-NRFANRHFSA-N 380.448 3.709 5 1 GHBF COc1cc2c(O)c3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C 14639557 GLBAASVPZFQEHI-UHFFFAOYSA-N 399.443 3.734 5 1 GHBF biogenic Cc1cnc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053109 BCZAIXMGVTZPSM-HNNXBMFYSA-N 387.827 3.955 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749851 ZTCJDVPYECUCNZ-XYZCENFISA-N 394.244 3.876 5 1 GHBF CC(=O)Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ncc([N+](=O)[O-])s1 95560166 IQSRMIWUYPHXCK-UHFFFAOYSA-N 376.177 3.536 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587059302 OADABYXTXCAARD-CYBMUJFWSA-N 382.601 3.969 5 1 GHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)nn2)c1 587269739 NMRJOEROEMBPPP-UHFFFAOYSA-N 392.272 3.877 5 1 GHBF CCN(CC)CCNc1ccc(CNC(C)=O)c2sc3ccccc3c(=O)c12 101471669 QWYJOHSXSXJGCY-UHFFFAOYSA-N 397.544 3.805 5 1 GHBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 26376150 LOWGOAQVGBZRCX-LLVKDONJSA-N 377.784 3.755 5 1 GHBF CCN(CC)CCN(CC)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F 72125859 STJKMNPPNXMJRA-UHFFFAOYSA-N 378.351 3.690 5 1 GHBF O=C(NCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cc2c(s1)CCC2 587034679 JIOKNUCBLXIGAA-UHFFFAOYSA-N 376.825 3.605 5 1 GHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 587867806 BVKSACUJKOYMNW-UHFFFAOYSA-N 392.293 3.569 5 1 GHBF Cc1c(Br)ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587267063 FDQOJPSNAYKTAN-UHFFFAOYSA-N 378.230 3.910 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)O)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267483 KZGZSUCDXCRQOX-UHFFFAOYSA-N 391.387 3.698 5 1 GHBF CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 201475462 MRSVECIJBGKFRY-UHFFFAOYSA-N 382.460 3.983 5 3 GHBF COC(=O)c1ccc2nc3n(C)c4ccccc4c(NCCCCN)c-3c2c1 103142084 MYYBSEQXUHAKGF-UHFFFAOYSA-N 376.460 3.769 5 1 GHBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(O)nc(S)nc2[nH]1 586974657 WYWRCYUPANBXMG-UHFFFAOYSA-N 377.451 3.671 5 1 GHBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587125630 SYAUYLFOXUSVSW-UHFFFAOYSA-N 399.151 3.940 5 1 GHBF O=C(CCCS(=O)(=O)c1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280389 VLOBLTWOLZTLGX-UHFFFAOYSA-N 391.376 3.917 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2[N+](=O)[O-])N1 587752337 RHFFNWRQDANDQU-ABKXIKBNSA-N 380.217 3.689 5 1 GHBF COc1cc2c3c(c1)O[C@H](C(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1)[C@@H](C2)C3=O 587434427 VDUYUBDPKASQGV-FIKGOQFSSA-N 381.428 3.898 5 1 GHBF CCCOc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Br 587274189 NXVMBPOPVTXKHQ-UHFFFAOYSA-N 394.229 3.576 5 1 GHBF CC1=CC(C)=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)[CH]1 2356815279 XYIJPQKFZBCJHZ-UHFFFAOYSA-N 397.192 3.710 5 1 GHBF Cc1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1[N+](=O)[O-] 587039626 UCPMNFVNHUMKPY-UHFFFAOYSA-N 376.398 3.645 5 1 GHBF O=C(C1CCCCC1)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])o3)CC2)CC1 1857758105 IRFXKMVLEANEOO-UHFFFAOYSA-N 389.496 3.973 5 1 GHBF CN(C)C(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270673 QBBZPASEDUAOOC-UHFFFAOYSA-N 387.399 3.902 5 1 GHBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962760471 FEQSLLFMYWUFAF-CXAGYDPISA-N 382.313 3.643 5 1 GHBF COCCOc1ccc(-c2nc3cccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587264197 CTUPBXSCKMOIGZ-UHFFFAOYSA-N 392.209 3.926 5 1 GHBF NC(=O)N1CCc2sccc2[C@]1(c1ccccc1)c1ccccc1[N+](=O)[O-] 962709961 KXQVZGDPCNSGMU-FQEVSTJZSA-N 379.441 3.885 5 1 GHBF Cn1cc(C(=O)O)c(=O)c2c3cc(F)c(N4CCCC(C)(C)C4)cc3ncc21 28762775 PYABQCYDOSCQDN-UHFFFAOYSA-N 383.423 3.550 5 1 GHBF CC[C@H]1C[N@@+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 255246693 NLSMUKLVXQHTTD-YLKLGRMASA-N 384.476 3.829 5 1 GHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C)cc1[N+](=O)[O-] 587868131 GWVJPUJWBPYYEV-UHFFFAOYSA-N 379.298 3.573 5 1 GHBF CC[C@H](C)NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135742 GGLFDHAFMURPDR-AWEZNQCLSA-N 383.452 3.570 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)O2 587378930 WYFOUGNABTUAMJ-CQSZACIVSA-N 393.193 3.660 5 1 GHBF COc1ccc(C[C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c([N+](=O)[O-])c1 963636751 RYYJSCYSRMUWIW-LRTDBIEQSA-N 386.448 3.613 5 1 GHBF O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc(Cl)cc1[N+](=O)[O-] 101444674 IHFKUUHNHKRBIO-HUUCEWRRSA-N 389.839 3.767 5 1 GHBF O=C1C[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587510374 KOGYLXRZCQTJPV-KRWDZBQOSA-N 384.344 3.794 5 1 GHBF COC(=O)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2[n+]([O-])c2ccccc12 26818823 YBEOAYIBFDLFOR-OAQYLSRUSA-N 387.391 3.660 5 1 GHBF COc1ccc2c(c[n+](C)c3c4cc5c(cc4c(OC)cc23)OCO5)c1OC 139290813 NSAANDQMIWVRKV-UHFFFAOYSA-N 378.404 3.725 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(C2C3CC4CC(C3)CC2C4)ccc1O 29472906 IJBWZLKLPSKEQH-FQOBWSQHSA-N 383.448 3.655 5 1 GHBF CC(=O)NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC(C)CC1 587234340 JTAIZYDLWQJGMY-UHFFFAOYSA-N 395.257 3.775 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587748190 SPDSKSMYZGCYLL-HUTHGQBESA-N 394.244 3.876 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CC[C@@H](O)CN1C3 95554663 RHTBCPPXWPNYSU-HUUCEWRRSA-N 393.483 3.900 5 1 GHBF Cc1cncc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587056728 UCZKUNQWTGAFTB-OAHLLOKOSA-N 387.827 3.955 5 1 GHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)ncc3[nH]2)CC1 587268878 CEWRJQUPUITCOK-UHFFFAOYSA-N 385.811 3.539 5 1 GHBF COC(=O)Nc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587391683 XDMGVVRRJADBQK-IBGZPJMESA-N 385.376 3.544 5 1 GHBF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccc([N+](=O)[O-])c1 587631498 OIKVZNHTOIQVMV-UHFFFAOYSA-N 376.727 3.886 5 1 GHBF COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1F 45288516 QKEJHWZEYXNIHJ-INIZCTEOSA-N 399.378 3.584 5 1 GHBF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587269354 BHTXVONVZNDWFN-UHFFFAOYSA-N 399.350 3.550 5 1 GHBF O=c1oc2cc(OCCCOc3ccc(Cl)cc3)ccc2c(O)c1[N+](=O)[O-] 169337568 QDCPDOYPJHYHHI-UHFFFAOYSA-N 391.763 3.908 5 1 GHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1O 587575693 KIQUNXQHBXIDIW-PXNSSMCTSA-N 379.324 3.709 5 1 GHBF CN1C(=O)C[C@H]2CN[C@](c3ccccc3)(c3ccccc3[N+](=O)[O-])c3cccc1c32 963018862 FAMHEJFOXQLMQC-UPCLLVRISA-N 399.450 3.940 5 1 GHBF O=C(Cn1c2ccccc2c2nc3ccccc3nc21)OCCN1CCCCC1 1772640624 OQRPSTQHNDIGLH-UHFFFAOYSA-N 388.471 3.767 5 1 GHBF COc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)C[C@@H]1CC[C@@H](O)CN1C3 238777414 SKOPGSSLKSDTHF-UONOGXRCSA-N 377.440 3.612 5 1 GHBF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])NCC2 962935451 ZPDDUQLABHPIDY-QGZVFWFLSA-N 393.365 3.551 5 1 GHBF O=c1c(Cc2ccc(Cl)cc2)nnc2scc(-c3ccc([N+](=O)[O-])cc3)n12 64448462 CQJQWPCMMRIARJ-UHFFFAOYSA-N 398.831 3.970 5 1 GHBF COc1cc(C(=O)OCC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc(OC)c1OC 58487440 IIWNKXJTEFNJSN-LEMITICQSA-N 392.516 3.668 5 1 GHBF CC(C)c1csc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)n1 64403875 RCMWIBKXCFDPBF-UHFFFAOYSA-N 386.462 3.791 5 1 GHBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(Cl)cn12 96939360 KEAXMLZNRSBRHE-UHFFFAOYSA-N 386.216 3.523 5 1 GHBF COc1ccc(N2C[C@@H](C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC2=O)cc1 587280442 WYPIBAZHSWQTIZ-LBPRGKRZSA-N 380.356 3.585 5 1 GHBF CC(=O)c1ccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1 45318060 FGKYEQYLPYZOPP-IBGZPJMESA-N 393.399 3.639 5 1 GHBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586972010 CYIIKUSMOIMQCH-QGZVFWFLSA-N 384.461 3.890 5 1 GHBF Cc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br 587267861 SPPXXYAJICWPHA-UHFFFAOYSA-N 378.230 3.910 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c([N+](=O)[O-])c1)O2 587376824 KPLYMMJJNKRBFV-OAHLLOKOSA-N 377.194 3.954 5 1 GHBF COc1cc(C(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC 1857597974 BUZAPYUASLXHCE-UHFFFAOYSA-N 394.383 3.914 5 1 GHBF O=c1oc2cc([N+](=O)[O-])ccc2nc1/C=C(\O)c1cccc(Br)c1 101925004 DFCVOQVLCAHJAS-ZSOIEALJSA-N 389.161 3.915 5 1 GHBF O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)c(Cl)c1 1857637037 QBSGEUREQHFLNJ-UHFFFAOYSA-N 391.830 3.782 5 1 GHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(I)c3[nH]2)c1 587160125 IIXKHFVVSHTVGD-UHFFFAOYSA-N 383.120 3.882 5 1 GHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)cc(Br)c3[nH]2)n1 587275190 YPCWSKQBPZLGOR-UHFFFAOYSA-N 384.621 3.716 5 1 GHBF C[P@@](=O)(OCC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 5764889 IILSLWCTSOCEAW-AREMUKBSSA-N 380.249 3.604 5 1 GHBF C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978570 DKLDLVBOAWNIDS-MRXNPFEDSA-N 381.171 3.700 5 1 GHBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962628209 HAGMSPXDJASDHA-ZSEKCTLFSA-N 386.448 3.977 5 1 GHBF O=[N+]([O-])c1cccc(-c2nc([C@@H]3NCCc4ccc(O)cc43)c3ccccn23)c1 963350704 CRDROVZLKQBYFV-HXUWFJFHSA-N 386.411 3.850 5 1 GHBF Cc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12 26494208 PMKKKOMRNAGSHE-UHFFFAOYSA-N 376.460 3.565 5 1 GHBF O=[N+]([O-])c1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2 26500414 LXSABWCZCRVRDE-UHFFFAOYSA-N 381.476 3.675 5 1 GHBF CN1Cn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C1)C(=O)NC4=O 28762688 LUPDLTJTGCJZDV-UHFFFAOYSA-N 380.407 3.646 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])cc1)O2 587388459 BYIHDTBXKAIMQK-GOSISDBHSA-N 394.387 3.718 5 1 GHBF N[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586983407 CGFYQMOHFNFLKT-NSHDSACASA-N 379.189 3.615 5 1 GHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587266251 ZGYQUBPMEZUFOR-MIMYLULJSA-N 387.383 3.835 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@@H](c3cccc(C(F)(F)F)c3[N+](=O)[O-])c3cccc1c32 963030955 SIWMKTYYOKCMPN-BMLIUANNSA-N 391.349 3.756 5 1 GHBF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc12 1857558635 QQYNYPKFWXGELG-IZZDOVSWSA-N 395.438 3.633 5 1 GHBF COc1cc(/C=C/c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC 29042395 ZOSHOAVGCNGEAX-AATRIKPKSA-N 390.348 3.708 5 1 GHBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] 587265832 RNJUIQJCFWZUBN-UHFFFAOYSA-N 382.298 3.577 5 1 GHBF Cc1onc(-c2nc3c(F)cc(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079392 JJZCLSYHBXEUFF-UHFFFAOYSA-N 394.725 3.611 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1[C@H](O)CCCN1C3 95554448 ZLNAXGITCVOBLN-FCHUYYIVSA-N 393.483 3.900 5 1 GHBF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@H]1c1ccc([N+](=O)[O-])s1 96900470 ALGPNPPAHVDLJF-NWCRWOLESA-N 380.422 3.858 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc([N+](=O)[O-])c2)N1 587747208 NBRIHECDJBBHIK-ZKANADHPSA-N 381.201 3.826 5 1 GHBF COc1ccc2c(CN3CCC(CN)CC3)cc3cc4c(cc3c2c1)OCO4 43073259 UVHKCVPVWVKUTF-UHFFFAOYSA-N 378.472 3.901 5 1 GHBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc(-c2ccccc2)c1 169349253 QAZRYYZMAAGOHN-UHFFFAOYSA-N 379.397 3.823 5 1 GHBF CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(=O)oc2ccc3ccccc3c12 21916578 PZLYCRUCAFXZGG-UHFFFAOYSA-N 397.434 3.815 5 3 GHBF Cn1c([N+](=O)[O-])cnc1SCCCCCCOc1ccc(C(=O)O)cc1 169347000 IXHOGJQZDQHNMT-UHFFFAOYSA-N 379.438 3.758 5 1 GHBF CCCc1c2nc(C(=O)O)cc(C(F)(F)F)c2cc2c(=O)cc(C(=O)O)oc12 29239670 YJYVCWVXUUFBRW-UHFFFAOYSA-N 395.289 3.709 5 1 GHBF C[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172673 JUQIDDJOPAOZSO-KRWDZBQOSA-N 375.743 3.892 5 1 GHBF Cc1nc(Br)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587012645 ZXMTWZXOPXSIAQ-UHFFFAOYSA-N 384.171 3.574 5 1 GHBF CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12 29224439 HIDAYZUFDIMAHT-FQEVSTJZSA-N 392.411 3.652 5 1 GHBF COc1cc2c3c(c4ccc(OC(N)=O)cc4c2cc1OC)CN1CCC[C@@H]1C3 103179184 WNRWVFNKJBKSSV-CYBMUJFWSA-N 392.455 3.988 5 1 GHBF O=[N+]([O-])c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Cl 586966623 GNMVKEDVYZKNAW-UHFFFAOYSA-N 388.796 3.862 5 1 GHBF COc1ccc(-c2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(O)c2)cc1OC 587926457 HKOOSTFXUCOFLG-UHFFFAOYSA-N 392.371 3.923 5 1 GHBF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015843 ARFODBAOSNLCDP-VOIUYBSRSA-N 399.450 3.940 5 1 GHBF O=C(Nc1nc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1)c1cccs1 587019808 WVDRWRWCVZDYDD-UHFFFAOYSA-N 385.430 3.832 5 1 GHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(O)cc2[nH]1 587053448 FGFCWNZZXNQFGL-MRXNPFEDSA-N 388.811 3.957 5 1 GHBF O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587268599 GJEWMFKUGOXOPE-UHFFFAOYSA-N 388.256 3.527 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587414054 RJEQUXJHBYNWII-APPDUMDISA-N 390.189 3.855 5 1 GHBF O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662299 YUYRMSFARHPIAD-UHFFFAOYSA-N 389.342 3.799 5 1 GHBF Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)ccc1O 1857564693 IJBWZLKLPSKEQH-JPZXIRBOSA-N 383.448 3.655 5 1 GHBF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3cccc([N+](=O)[O-])c3)ccc12 49722625 KODQXMWZTUQUKO-LJQANCHMSA-N 382.397 3.788 5 1 GHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587748193 SPDSKSMYZGCYLL-XYZCENFISA-N 394.244 3.876 5 1 GHBF CCN(C)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 82150034 GRKYPZQELSMPFL-UHFFFAOYSA-N 395.419 3.657 5 1 GHBF C[C@]1(c2cc([N+](=O)[O-])ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572953 ANOOJMIULLEDIX-GHTZIAJQSA-N 392.367 3.760 5 1 GHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587645867 MXTXBEVJEQJZQZ-UHFFFAOYSA-N 397.391 3.716 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C[N+](=O)[O-])N1 587747154 PGKAOHSEWPDNGZ-XIKOKIGWSA-N 393.256 3.837 5 1 GHBF CCOC(=O)Cc1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 587261795 IEFOKCFSWXFRSD-UHFFFAOYSA-N 383.404 3.507 5 1 GHBF CC(C)(C)OC(=O)N(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C[C@@H]1CCCO1 587197080 HYCIOWZGOJSFRW-NSHDSACASA-N 394.403 3.526 5 1 GHBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COCc1ccc(-c3ccc(F)cc3)cc1)CC2 1772652245 DGRMQZIVDZKENK-GOSISDBHSA-N 383.379 3.965 5 1 GHBF COc1cc2c(cc1O)oc(=O)c1c2c(F)c2c3cc(OC)c(O)cc3ccn21 138047667 HDIQTAOHFJBLAV-UHFFFAOYSA-N 395.342 3.920 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(OCc3ccccc3)cc1)C2 115609330 DKBRVRXAPWANPM-SFHVURJKSA-N 395.415 3.596 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3ccc([N+](=O)[O-])n3)o1)CC2=O 587468655 AHPRQSDWJXTXKF-SFHVURJKSA-N 397.387 3.797 5 1 GHBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncc1[N+](=O)[O-] 587656646 KGARIEWDTYIUAV-UHFFFAOYSA-N 380.310 3.634 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1 587744367 DRNRDAGYVGULJC-VPTHRUTESA-N 381.201 3.826 5 1 GHBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(Br)c1)[C@@H](C2)C3=O 587413734 POXROUBYSQFUOO-GTNSWQLSSA-N 390.189 3.855 5 1 GHBF CCOc1ccccc1[C@@](N)(c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(F)(F)F 587093647 WYAVYPSWQDPFTJ-QGZVFWFLSA-N 394.353 3.943 5 1 GHBF COc1cc(-c2ccc(C)c([N+](=O)[O-])c2)cc2c1OCCN(C(=O)C1CC1)C2 1772642669 FPCDMOPFDLQIBS-UHFFFAOYSA-N 382.416 3.710 5 1 GHBF O=C(O)c1cc(Br)cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160023 CFTRJNVLFOUBQN-UHFFFAOYSA-N 380.129 3.738 5 1 GHBF CN1C(=O)C[C@H]2CN[C@](c3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015839 ARFODBAOSNLCDP-UPCLLVRISA-N 399.450 3.940 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2N)N1 587744333 DEJPLERGLGTIIN-VVVCHXIZSA-N 394.244 3.876 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587266821 BCISBWSNKMRKTP-UHFFFAOYSA-N 399.636 3.650 5 1 GHBF CCOc1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c([N+](=O)[O-])c1 962731754 UFPGYPTZVSEICH-WBVHZDCISA-N 394.349 3.729 5 1 GHBF COc1cccc2cc3c(nc12)[C@@](CC(C)=O)(c1cccc([N+](=O)[O-])c1)NCC3 963059869 VPCACDVCFPVDRO-JOCHJYFZSA-N 391.427 3.520 5 1 GHBF O=[N+]([O-])c1cnc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)s1 1772637694 XOOOSUPYCAEQKZ-UHFFFAOYSA-N 375.841 3.580 5 1 GHBF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 13726821 UJPHXNFMWVCEBX-SXWSKBOKSA-N 393.421 3.660 5 1 GHBF O=[N+]([O-])c1ccc(O[C@H]2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1 40899042 HWONKCCXDYBMEO-XEMDLRDOSA-N 381.436 3.552 5 1 GHBF COC(=O)c1cc(Cl)c2[nH]c(CCOc3cc(C)ccc3[N+](=O)[O-])nc2c1 587262717 WPKWMURBVQFRGV-UHFFFAOYSA-N 389.795 3.841 5 1 GHBF Cc1c(Br)cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1C 587275873 HDXFMVCVWIRZNN-MRVPVSSYSA-N 378.230 3.851 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)O2 587378929 WYFOUGNABTUAMJ-AWEZNQCLSA-N 393.193 3.660 5 1 GHBF O=C(/C=C/c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccccc1 587245358 WHSRMCJSCZANLN-VOTSOKGWSA-N 387.193 3.886 5 1 GHBF CC[C@H]1CC[C@@H](OC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 101085661 VMAFDRIMEKGECP-OWQGQXMQSA-N 387.436 3.735 5 1 GHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc([N+](=O)[O-])c1 587577537 SIUKRCRILHGPKU-YLJYHZDGSA-N 379.324 3.709 5 1 GHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncc(Cl)c2[nH]1 587264840 UHNYDFUGHYVNII-SECBINFHSA-N 390.783 3.871 5 1 GHBF CC(C)(Oc1ccc(Br)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586994976 BQUVREPDFXCPES-UHFFFAOYSA-N 377.198 3.943 5 1 GHBF N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587156652 ORSBWHVBLBLTGP-QLJPJBMISA-N 391.200 3.714 5 1 GHBF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([N+](=O)[O-])cc1 27872091 HOZJFFFNWIWDSX-IBGZPJMESA-N 397.431 3.858 5 1 GHBF CC(C)[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)N1CCCCC1)C2 73160013 ZXAIBYRKWLCJDI-KKHVISAVSA-N 385.572 3.948 5 1 GHBF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 73296711 YGADTQBEFPETOB-SFHVURJKSA-N 387.436 3.736 5 1 GHBF COC(=O)c1c(-c2cncc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644266 SDLMXYUKRCMGFC-UHFFFAOYSA-N 376.166 3.687 5 1 GHBF C[C@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 1772656473 CIMAKXBXNHMVDP-HXUWFJFHSA-N 381.388 3.952 5 1 GHBF CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573375 BAGCPLYRYYYDCJ-UHFFFAOYSA-N 390.196 3.508 5 1 GHBF biogenic O=c1c2cc(O)ccc2oc2cc(OCCCCCCO[N+](=O)[O-])cc(O)c12 1857633680 XGZOSOPLUZNJES-UHFFFAOYSA-N 389.360 3.505 5 1 GHBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587184700 UODMBLOBENTKBB-PLNGDYQASA-N 392.156 3.641 5 1 GHBF Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962906843 RFXUETLOMFWONM-PXNSSMCTSA-N 395.390 3.521 5 1 GHBF C[C@]1(c2ccncc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575095 IINNMYPXOLTTFD-YLJYHZDGSA-N 378.340 3.572 5 1 GHBF O=[N+]([O-])c1ccccc1OC1[C@H](Cn2ccnc2)CCC[C@H]1Cn1ccnc1 40915477 RHRSDNZBNPXJIS-IRXDYDNUSA-N 381.436 3.552 5 1 GHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)O2 587391652 WOYJTCFRZBAKMV-CQQBXOTJSA-N 381.432 3.730 5 1 GHBF Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)c(C)c1[N+](=O)[O-] 587266864 BOTYHYFUQUJZCJ-UHFFFAOYSA-N 391.387 3.728 5 1 GHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)c([N+](=O)[O-])c1)CC2=O 587468749 DCYKMOSPHZXLID-KRWDZBQOSA-N 387.388 3.977 5 1 GHBF COc1ccc(C[C@@H](C)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 587927679 WBXIZMFHISFZAK-SNVBAGLBSA-N 386.364 3.743 5 1 GHBF O=[N+]([O-])c1ccccc1CN[C@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] 66080338 IENNWGIJBJTCRV-HDICACEKSA-N 384.436 3.694 5 1 GHBF COc1cc(/C=C/c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC 96284423 HICXXNVLXWLTMM-BQYQJAHWSA-N 383.360 3.841 5 1 GHBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587194245 OYFFDKIMPLKXLH-NSHDSACASA-N 397.863 3.642 5 1 GHBF CN(C)CCNCc1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2 22452372 OTWNEAPSWYWBSR-UHFFFAOYSA-N 378.472 3.782 5 1 GHBF COC(=O)Cc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587783509 UDNGFANXWQOMOF-UHFFFAOYSA-N 390.193 3.616 5 1 GHBF Cc1ccc(-n2ccnc2SCc2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1 586967108 WNBLLMTUPOBAJE-UHFFFAOYSA-N 380.433 3.961 5 1 GHBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nnco1)c1cccc2ccccc12 29234107 RKKOSWWJWAYKGN-IBGZPJMESA-N 388.383 3.845 5 1 GHBF CCc1cnc(-c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174844 VDZIQGGAOYZBPO-UHFFFAOYSA-N 385.449 3.796 5 1 GHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[N@@+]1([O-])CCC[C@H]1[C@H]3O 255224766 KYCJLNMNKCNMOB-NMNUPHIUSA-N 381.428 3.740 5 1 GHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749117 XBZILKNVYWDHAF-XYZCENFISA-N 394.244 3.876 5 1 GHBF O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(-c3ccccc3)cc2)c(Br)n1 66077257 HFBYWRUVWMCGDZ-OAHLLOKOSA-N 388.221 3.954 5 1 GHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(F)c2[nH]1 587271050 YIDZLBCIIZPIOH-LBPRGKRZSA-N 379.189 3.615 5 1 GHBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587433085 NGZYAESLVODYOQ-KKSFZXQISA-N 376.368 3.883 5 1 GHBF Cc1ccc(CSc2ccc(C(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 20663525 MAZYDZMOICDKBH-UHFFFAOYSA-N 385.489 3.583 5 1 GHBF COc1cc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc(OC)c1OC 71331658 NINRJZJPPYEPHU-UHFFFAOYSA-N 389.407 3.530 5 1 GHBF Cc1nn(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1Br 586978976 MYUZCGGRGQWINP-UHFFFAOYSA-N 384.621 3.749 5 1 GHBF Cc1c(F)ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587268982 FWYUIQKDEOHDMH-UHFFFAOYSA-N 382.395 3.938 5 1 GHBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1c1ccccc1 45318709 AEEPDKDJNNRIBZ-OAHLLOKOSA-N 381.417 3.923 5 1 GHBF CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135831 BCDUEWKKIOHOOC-GASCZTMLSA-N 397.479 3.626 5 1 GHBF Cc1ccc2c(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc(=O)oc2c1 71332473 KNCAISAPROJDIR-UHFFFAOYSA-N 395.396 3.801 5 1 GHBF O=C1C(=O)N(Sc2ccccc2[N+](=O)[O-])c2c(Br)cccc21 95593378 QSEGYGGEVPPZQV-UHFFFAOYSA-N 379.191 3.594 5 1 GHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(S)nc(S)nc4[nH]3)c2)c1 587269257 JNGUQPWAVIJHJC-UHFFFAOYSA-N 382.430 3.568 5 1 GHBF CC(C)(C)OC(=O)N1[C@@H](COc2ccc([N+](=O)[O-])cc2)COC12CCCC2 1857636857 QNVFRNLDFUUXIR-HNNXBMFYSA-N 378.425 3.880 5 1 GHBF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483909 FYBSELKVSYXZSK-UHFFFAOYSA-N 381.816 3.577 5 1 GHBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccccn2)c1 1857589477 WRCIHRVVYAGUIB-UHFFFAOYSA-N 377.360 3.886 5 1 GHBF C[C@H](OC(=O)c1ccccc1N)c1cccc2nc3c(C(=O)O)cccc3nc12 2356874930 ZXBLICLASCFKAG-LBPRGKRZSA-N 387.395 3.981 5 1 GHBF CC[C@H](C)Nc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149926 ADXPOPXPCRWGSS-AWEZNQCLSA-N 383.452 3.888 5 1 GHBF COc1ccc(C(=O)c2ccccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587143636 CGHFYOSXTJXPCJ-UHFFFAOYSA-N 392.346 3.912 5 1 GHBF COc1cc(-c2nc3ccc(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261128 VLYHSUBQAIAYFI-UHFFFAOYSA-N 378.182 3.918 5 1 GHBF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1ccc([N+](=O)[O-])cc1 73157617 YDIXDTUCJGTEJV-HNNXBMFYSA-N 379.397 3.881 5 1 GHBF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2N1 587125236 RFBCQESYXXGKGQ-INWYIAFRSA-N 384.293 3.781 5 1 GHBF O=[N+]([O-])c1cncc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183900 KWKKZPBRFRAKSP-PLNGDYQASA-N 392.156 3.641 5 1 GHBF COc1cc(NS(C)(=O)=O)ccc1Nc1cc2cncnc2c2ccccc12 66075574 MRMLPGMVUJUZOE-UHFFFAOYSA-N 394.456 3.907 5 1 GHBF Cc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1C 586925343 GYRGAELIAYWSJA-UHFFFAOYSA-N 379.825 3.812 5 1 GHBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1n[nH]c(-c2ccccc2F)n1 587946913 ZJJGNJROQICNSX-LLVKDONJSA-N 389.387 3.537 5 1 GHBF COc1ccc2c(c1)c1nn(CCO)c3cc4c(c(c13)n2C)C=CC(C)(C)O4 26577203 DOLJNUCVMCUKRV-UHFFFAOYSA-N 377.444 3.866 5 1 GHBF Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 1911571844 ATZVPMBWRHVEKY-UHFFFAOYSA-N 377.356 3.850 5 1 GHBF O=[N+]([O-])c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)nn1CC(F)(F)F 587093126 VYDQAQYSZPDSFF-UHFFFAOYSA-N 395.219 3.796 5 1 GHBF COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(ncn4CCCN(C)C)c2c1 5581640 SWEDAZZFQBADIV-UHFFFAOYSA-N 379.420 3.606 5 1 GHBF O=[N+]([O-])c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1F 587007048 KYTVRKKTJBHMOG-UHFFFAOYSA-N 376.145 3.916 5 1 GHBF C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575994 LWLUEJWOMPGZLX-WIYYLYMNSA-N 392.367 3.760 5 1 GHBF O=[N+]([O-])c1ccc(SC(=S)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 95574873 JKEJZYZZGUWMNB-UHFFFAOYSA-N 375.431 3.938 5 1 GHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749116 XBZILKNVYWDHAF-XLFHBGCDSA-N 394.244 3.876 5 1 GHBF CN(C)CCn1cc(CNc2c3ccccc3nc3c2oc2ccccc23)nn1 1772650734 CLLXDLUEYGINBE-UHFFFAOYSA-N 386.459 3.899 5 1 GHBF O=C(COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)Nc1cccc(C(=O)O)c1 35323171 FKYYFGNYHJQUGP-UHFFFAOYSA-N 392.367 3.978 5 1 GHBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265343 WQJPLBHWIRBVCI-ZTFGCOKTSA-N 393.443 3.802 5 1 GHBF Cc1cc(Br)cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587267761 QDFXTXBXNQLKOT-UHFFFAOYSA-N 378.230 3.910 5 1 GHBF O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4CCC[C@@H]23)cc1 6536201 VUXCFQZRWRCNSK-RYQLBKOJSA-N 398.444 3.716 5 1 GHBF CCN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 82159917 WBFJYEYCKICENX-UHFFFAOYSA-N 391.431 3.756 5 1 GHBF Cc1onc(-c2nc3c(C)c(F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080214 SJZBFYWKDOQIFQ-UHFFFAOYSA-N 390.762 3.780 5 1 GHBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587388393 ATVAWBNVJKBKKV-HXUWFJFHSA-N 393.399 3.991 5 1 GHBF O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc([N+](=O)[O-])o1 22669711 CTLGLUHKCGLGEN-INIZCTEOSA-N 380.356 3.714 5 1 GHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587267975 UTIHROMYQTUEOS-UHFFFAOYSA-N 399.636 3.650 5 1 GHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N)c([N+](=O)[O-])c2)N1 587745092 GHMASXJTCQPBGX-BCTVWOGZSA-N 380.217 3.702 5 1 GHBF O=[N+]([O-])c1cn2c(n1)OCC[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 1772580479 KPIBIWBYXMUZLO-IBGZPJMESA-N 395.415 3.738 5 1 GHBF