smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1ccccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	5270682	GWQMQCKWCIYWQN-UHFFFAOYSA-N	377.400	3.620	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1	8320640	YYRDYZJCKOOSHC-SWLSCSKDSA-N	375.450	3.829	5	40	GHBB	
CCNc1nnc(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1	8937668	GQZZUUGKWJWKPU-UHFFFAOYSA-N	392.409	3.780	5	40	GHBB	
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1	9708086	UHPBVPQVDQPDDM-NRFANRHFSA-N	388.427	3.524	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2nc3ccccc3s2)CC1	18175606	PSPILKIPAXRAIC-UHFFFAOYSA-N	397.460	3.554	5	40	GHBB	
Cc1sc2nc(SCCOc3cccc([N+](=O)[O-])c3)n(C)c(=O)c2c1C	40122977	BUTGEDSMUICFSB-UHFFFAOYSA-N	391.474	3.691	5	40	GHBB	
CC(=O)Nc1ccc(Nc2ccc([S@](=O)C(F)(F)F)cc2[N+](=O)[O-])cc1	4868215	SXOCCVZOUCTHBU-AREMUKBSSA-N	387.339	3.924	5	40	GHBB	
COc1ccc2cc(CN(C)C(=O)COc3cc(F)ccc3[N+](=O)[O-])ccc2c1	8373763	UQAHDNZCWDCGDB-UHFFFAOYSA-N	398.390	3.933	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(c2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])C1	9328375	JHTGQZZYSZYQNJ-GHMZBOCLSA-N	376.848	3.846	5	40	GHBB	
COc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)c([N+](=O)[O-])c1	20140629	TZWPRAOIRKZZBJ-UHFFFAOYSA-N	382.328	3.814	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O	214309304	QNKQSQFGNSGWLC-CXUHLZMHSA-N	388.376	3.979	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-]	192706009	VDSCJQUFWSVVIJ-UHFFFAOYSA-N	383.429	3.690	5	40	GHBB	
COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1	4200623	COUMNKUTQBVRKD-UHFFFAOYSA-N	375.362	3.581	5	40	GHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1	676563	HUPVBOUUFUWKDJ-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1	4574928	JMTRWEHWSNEFSW-UHFFFAOYSA-N	386.795	3.754	5	40	GHBB	
CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	4682161	OVKICABRBGROKX-UHFFFAOYSA-N	381.432	3.648	5	40	GHBB	
Cc1ccc2[nH]c3c(cc(NCCO)c4c(=O)c5ccccc5c(=O)c43)oc2c1	4808413	KZWPMOVCPIUNDG-UHFFFAOYSA-N	386.407	3.654	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O	5269020	CUDMNDULWNBWAQ-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)O[C@@H](C)C2	5406565	WWQRAQTWMGGHAK-NSHDSACASA-N	390.823	3.900	5	40	GHBB	
Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-]	7532330	CLRWCBGAOREYQG-KSSFIOAISA-N	382.416	3.642	5	40	GHBB	
CC(=O)Nc1cccc(Nc2nnc(Sc3ncccc3[N+](=O)[O-])s2)c1	12544971	LIXOATLHGCXYCS-UHFFFAOYSA-N	388.434	3.695	5	40	GHBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@H]1c1ccco1	12569676	MZPWRBQTSNWTTR-HNNXBMFYSA-N	399.334	3.677	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)c(Cl)c1	20611708	ZJKRPDXIGYTVQT-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
CNc1ccc(C(=O)/N=c2\ccccn2Cc2ccc(C)cc2)cc1[N+](=O)[O-]	29385857	INLWCXGISCVTKV-BSYVCWPDSA-N	376.416	3.536	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408643727	RJLRFLCAAHNQKA-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
Cc1ccc(Cl)cc1Nc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-]	4922972	XINGPGUROJXKLL-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1	57625425	NFTXCLHNKZZHES-MRXNPFEDSA-N	383.429	3.947	5	40	GHBB	
COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1[N+](=O)[O-]	10281732	XWGOAWFOSMKQSQ-UHFFFAOYSA-N	383.448	3.519	5	40	GHBB	
COc1cc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC	11643007	JZGSEXVGVTZDJN-UHFFFAOYSA-N	399.447	3.776	5	40	GHBB	
COc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)co2)cc1	12527306	JUGKJCHBOCKXAB-UHFFFAOYSA-N	394.431	3.581	5	40	GHBB	
CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	13115493	QHXQCWDMBJGOIW-IBGZPJMESA-N	380.429	3.651	5	40	GHBB	
COc1ccc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2c1	225138081	AOPRLRBEJDNRIZ-UHFFFAOYSA-N	388.401	3.566	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C	40130840	KLNBZDNVTAHSGW-UHFFFAOYSA-N	398.394	3.726	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1-n1cccn1	29769232	SLCGJYSFOONERV-UHFFFAOYSA-N	390.321	3.981	5	40	GHBB	
Cc1nn(C(=O)c2ccc([N+](=O)[O-])o2)c(C)c1Sc1ccccc1[N+](=O)[O-]	2690574	PVOCXANQARSTAR-UHFFFAOYSA-N	388.361	3.749	5	40	GHBB	
COC[C@H](C)n1c(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	3403139	INKWAUPMVYPTJX-ZDUSSCGKSA-N	385.445	3.804	5	40	GHBB	
CC(C)c1ccc(-c2nnn([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1	6545018	UANCZBFIBMQGFA-CYBMUJFWSA-N	380.408	3.571	5	40	GHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1	4835449	CNGVPXUMCZVORR-UHFFFAOYSA-N	397.431	3.627	5	40	GHBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc2c(c1)OCCO2	19074862	VUPYONYJHJZBSS-UHFFFAOYSA-N	388.426	3.951	5	40	GHBB	
COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408537737	WWBFPRDGYLLONN-MVEXZXKGSA-N	384.344	3.860	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	223663192	ZFSZRIZKJBCAIC-UHFFFAOYSA-N	376.434	3.808	5	40	GHBB	
O=C(OCc1ccccc1[N+](=O)[O-])C1CCN(C(=O)Nc2ccccc2)CC1	25118498	CZGZLUMSJMIAEN-UHFFFAOYSA-N	383.404	3.582	5	40	GHBB	
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1	22095658	QZZJXJPLSVWYLL-UHFFFAOYSA-N	388.733	3.504	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccsc1	40154245	SZDJVPBTWFIMOL-MRXNPFEDSA-N	375.450	3.831	5	40	GHBB	
COc1cc([C@@H](C[N+](=O)[O-])Sc2ccccc2C(=O)O)cc(OC)c1OC	1448646	YAANMBNOZZLSMJ-MRXNPFEDSA-N	393.417	3.521	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccccc3)nc21	2205469	DDALFURJVIWFEP-UHFFFAOYSA-N	393.446	3.964	5	40	GHBB	
Cc1ccc(O[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)c([N+](=O)[O-])n1	8747176	RZFONNNOJOPWDE-CYBMUJFWSA-N	390.465	3.888	5	40	GHBB	
CSc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-]	10870603	GJAZHUWBUUIANI-UHFFFAOYSA-N	375.431	3.963	5	40	GHBB	
O=C(Nc1cccc(Cn2ccnc2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	25173918	SRRYYKPHJQHMBY-UHFFFAOYSA-N	391.431	3.692	5	40	GHBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	25357495	UDDSAOHHBQLLFQ-VKJFTORMSA-N	393.436	3.521	5	40	GHBB	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O	36848265	FZBCLRZAODHAQZ-KRWDZBQOSA-N	393.321	3.581	5	40	GHBB	
CSc1ncc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)n1	28287102	QDJYRWDCHCKNCJ-UHFFFAOYSA-N	394.210	3.586	5	40	GHBB	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3137983	PFOTVELYBCNGET-UHFFFAOYSA-N	395.371	3.777	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1	8815670	MPXPWWHQNFHWKH-UHFFFAOYSA-N	386.349	3.666	5	40	GHBB	
CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1	1321114	IIAGIBZTWFZKJQ-ZDUSSCGKSA-N	398.488	3.961	5	40	GHBB	
CSc1nc(C)c(CCC(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1	7110393	JPLNLDGDQQLKAH-ZDUSSCGKSA-N	375.450	3.961	5	40	GHBB	
CS(=O)(=O)c1ccc(Oc2ccc(Br)cc2F)c([N+](=O)[O-])c1	7983910	FSFABWWIMXUINU-UHFFFAOYSA-N	390.186	3.692	5	40	GHBB	
CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224752318	PGZWCIKAGBKMNX-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccccc1)Cc1ccco1	40080443	CZYZZBQNJRNYGI-UHFFFAOYSA-N	376.372	3.907	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-]	7055603	NVTWGIFOGOEWHG-UHFFFAOYSA-N	375.431	3.828	5	40	GHBB	
CNc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-]	25449329	HJXIPAKVDHDIQM-UHFFFAOYSA-N	376.319	3.738	5	40	GHBB	
Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	48138943	BRXIHFNOYDACIV-UHFFFAOYSA-N	385.807	3.879	5	40	GHBB	
COc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn23)cc1[N+](=O)[O-]	95964297	NTSZBRSMMRAJDL-UHFFFAOYSA-N	378.344	3.763	5	40	GHBB	
Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	409052556	KGENACKWWWEIKZ-UHFFFAOYSA-N	381.432	3.703	5	40	GHBB	
O=C(O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	16545472	JKYLGBMXPOBBLP-UHFFFAOYSA-N	377.359	3.962	5	40	GHBB	
CCC(=O)Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-]	108045886	STZCAWWSEFIFMU-ONEGZZNKSA-N	379.004	3.774	5	40	GHBB	
Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c(C)c1	24451826	QTZWEVZSKKHYPJ-UHFFFAOYSA-N	380.444	3.876	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2	4707820	CJIWFWOQBLTCAI-UHFFFAOYSA-N	399.491	3.895	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C	78992143	WMUJDOLEKVKRGM-YOEHRIQHSA-N	391.468	3.669	5	40	GHBB	
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2)c1	3844753	SNXFNPHLRYQGQJ-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	biogenic
C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(F)cc1	3450156	ZMNLDOKHFIMOCG-QWRGUYRKSA-N	394.786	3.810	5	40	GHBB	
O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1cccc([N+](=O)[O-])c1	4688553	MMOHYQONMVXKIG-UHFFFAOYSA-N	377.425	3.973	5	40	GHBB	
COCCOc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OC	25223067	JMZDFADDRVXLHT-UHFFFAOYSA-N	380.784	3.534	5	40	GHBB	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C1	40090853	BMMRUIRYNUILPN-HOTGVXAUSA-N	395.459	3.894	5	40	GHBB	
Cc1ccccc1OCCNc1cc(N2C[C@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-]	4455724	YWLNLOBROCLLKK-IRXDYDNUSA-N	384.480	3.581	5	40	GHBB	
COC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1	40131972	CWOLXZKMDRSYSP-UHFFFAOYSA-N	399.384	3.883	5	40	GHBB	
CCOC(=O)C1CCN(C(=S)Nc2cc3cccnc3c3ncccc23)CC1	408974808	FANMIXCEYLLTAH-UHFFFAOYSA-N	394.500	3.755	5	40	GHBB	
Cc1sc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	409205323	BIJWPJOIISQKAY-UHFFFAOYSA-N	397.412	3.822	5	40	GHBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	1635318	BMCHGTVACZAQDJ-UHFFFAOYSA-N	377.161	3.643	5	40	GHBB	
CCOc1ccc2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1	2656624	JHIVBFLHBAPDDE-UHFFFAOYSA-N	386.433	3.909	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1	4124799	TYSCYPVRNBRWOR-ZDUSSCGKSA-N	397.460	3.912	5	40	GHBB	
Cc1c(O[C@H](C)C(=O)NCc2cccnc2)ccc2c1oc(=O)c1ccccc12	5245015	KTKSPVSMDAGXFU-OAHLLOKOSA-N	388.423	3.733	5	40	GHBB	
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccc(F)cc1	409053607	NNQCKXZEGIVTGO-WJDWOHSUSA-N	388.376	3.849	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1	30551550	WIRJFCJUCKQPLY-JLHYYAGUSA-N	379.460	3.910	5	40	GHBB	
CCc1nc(CN2CCC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)no1	610470809	UXTKTVIVJQBGSQ-GFCCVEGCSA-N	399.373	3.636	5	40	GHBB	
CCOc1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-]	4881434	CIMBQTPBLGGWGF-UHFFFAOYSA-N	397.288	3.794	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccccc1N1CCCCC1	12561856	KAONUABWRJBTAL-UHFFFAOYSA-N	396.491	3.964	5	40	GHBB	
O=c1cc(COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)nc2sccn12	16458875	WGVRXYVGASGOFO-UHFFFAOYSA-N	393.424	3.834	5	40	GHBB	
COC(=O)c1cc(C(=O)N(C)c2ccc3oc(C(C)C)nc3c2)cc([N+](=O)[O-])c1	95465476	UQZADDNIUZRILQ-UHFFFAOYSA-N	397.387	3.923	5	40	GHBB	
O=[N+]([O-])c1ccc([C@@H](c2nnnn2-c2cccc(Cl)c2)N2CCCCC2)cc1	54959664	FXONZSGHJKBGNC-SFHVURJKSA-N	398.854	3.799	5	40	GHBB	
CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12	4808665	KWRBWVCCMUBCKI-UHFFFAOYSA-N	382.372	3.791	5	40	GHBB	aggregator
CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	7265869	ACSSYXDSBFYSSN-VAWYXSNFSA-N	381.432	3.794	5	40	GHBB	
COc1cccc(CN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1OC	7293394	GPSDXZNRWTVFHL-ZDUSSCGKSA-N	398.419	3.855	5	40	GHBB	
COC(=O)c1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1Cl	8092193	DGGJQLBOQJXYKZ-UHFFFAOYSA-N	394.836	3.907	5	40	GHBB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc([N+](=O)[O-])ccc3OC)N21	260778064	QYCZXBPGYMDNDQ-UUWFMWQGSA-N	384.461	3.978	5	40	GHBB	
CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1	2232820	PSORWKQTBIWBIU-UHFFFAOYSA-N	392.480	3.981	5	40	GHBB	
CCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12	8071408	OHOXUFYGEYOAKO-UHFFFAOYSA-N	394.416	3.576	5	40	GHBB	
Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409181533	CUUSNVKAIAPYKE-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
CCCCn1c(-c2ccc(F)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O	5350226	SUBKHEPGPHRQJM-UHFFFAOYSA-N	377.419	3.855	5	40	GHBB	
COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1	9983363	FBDJZSITLMJVGZ-DHZHZOJOSA-N	394.427	3.738	5	40	GHBB	
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)Nc3nccs3)c12	36618529	BBGOSBVYVOBRSK-UHFFFAOYSA-N	381.373	3.815	5	40	GHBB	
CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	224683912	RDZKNEMSYHCOIR-QGZVFWFLSA-N	390.461	3.956	5	40	GHBB	
COC[C@@H](C)N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	3284546	XEGRIMOWSHYSAU-SJKOYZFVSA-N	377.828	3.553	5	40	GHBB	
Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	4577091	GKYOMCNAKIURLU-CPNJWEJPSA-N	391.383	3.906	5	40	GHBB	
COc1cc(C(=O)OCc2coc(-c3cccs3)n2)c([N+](=O)[O-])cc1OC	4581105	PERNHVDULZDMNT-UHFFFAOYSA-N	390.373	3.686	5	40	GHBB	
COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]	5843142	OLNFWGXJFKZCIW-UHFFFAOYSA-N	377.205	3.711	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1	8922283	HURIIWZCYLVAMD-UHFFFAOYSA-N	387.823	3.647	5	40	GHBB	
CCc1cccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1	12952847	ZYTLWEGSVVVIDN-YJBOKZPZSA-N	395.459	3.730	5	40	GHBB	
O=C(NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)c1ccc(F)cc1	48289593	JHVHCNXMHUEJRK-UHFFFAOYSA-N	394.406	3.681	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])N1CCc2sccc2[C@@H]1c1ccccc1	53442849	WNKCSOVOGXUNAQ-IBGZPJMESA-N	395.440	3.604	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Cl	57315545	HGCQVEMMANWOSF-NWDGAFQWSA-N	377.828	3.935	5	40	GHBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(c3ccc(Cl)cc3)CCC2)cc1	51155614	MENDLAPKRINFTA-UHFFFAOYSA-N	380.853	3.747	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1[N+](=O)[O-]	2637253	ZJRBRLBKKPGBIQ-UHFFFAOYSA-N	399.428	3.627	5	40	GHBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1	7344395	ONOJNISKHHHVOY-UHFFFAOYSA-N	377.360	3.547	5	40	GHBB	
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1-c1nccn1C	12577995	SDZDTRRMQHGHOK-UHFFFAOYSA-N	377.813	3.666	5	40	GHBB	
CC1CCN(c2ccccc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	408626476	HNNUOKHDNMITBT-UHFFFAOYSA-N	398.488	3.958	5	40	GHBB	
COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1	2284671	LBKZDUBFTLJYML-UHFFFAOYSA-N	399.454	3.629	5	40	GHBB	
CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1-c1ccc(OC)cc1	409198768	KQVKWRHUVQYPDS-MRCUWXFGSA-N	397.456	3.974	5	40	GHBB	
O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1	6421200	LPUXDUMMURGQDG-RUDMXATFSA-N	394.305	3.809	5	40	GHBB	
NS(=O)(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1	9471155	HMJQCUGBWXUVCP-UHFFFAOYSA-N	385.401	3.778	5	40	GHBB	
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-]	20144844	NSSMGOHZQACGTN-UHFFFAOYSA-N	382.372	3.673	5	40	GHBB	
CC(=O)Nc1c([N+](=O)[O-])cc(N(C)S(=O)(=O)c2ccccc2)c2ccccc12	5554214	YBBXYAOKBJRIBV-UHFFFAOYSA-N	399.428	3.532	5	40	GHBB	
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1	1080712	VZISHCGFFPMHEL-SFHVURJKSA-N	378.388	3.797	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3s2)CC1	4224053	KWQGWILGEPHDCO-CMDGGOBGSA-N	394.456	3.567	5	40	GHBB	
COc1ccccc1-c1noc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1	57541837	ZNFYOCKLVFGBCX-UHFFFAOYSA-N	388.811	3.939	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)c1	5180409	PSDBFPOEDLURBT-UHFFFAOYSA-N	391.778	3.692	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(C)c1OC	6281100	PZCWCVATLXSCSF-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
O=C1N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	409174424	SUNXTGLAXLQIPJ-NTUHNPAUSA-N	378.171	3.999	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1	19334193	OHYZNKANWAFCCX-UHFFFAOYSA-N	393.365	3.572	5	40	GHBB	
O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccc([N+](=O)[O-])c1	5259224	NCTCEQGAIDUFSK-UHFFFAOYSA-N	389.415	3.904	5	40	GHBB	
O=C(N[C@@H]1CCOc2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	25580666	DZAXSKZEEBQBLH-QGZVFWFLSA-N	381.432	3.839	5	40	GHBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(-c2ccccc2)cc1	3512306	CQEGNZTWLKXVLZ-UHFFFAOYSA-N	386.363	3.741	5	40	GHBB	
O=C(Cn1c(-c2ccco2)nc2ccccc21)Nc1ccc(F)cc1[N+](=O)[O-]	6188437	COMFDLKJWSUFNB-UHFFFAOYSA-N	380.335	3.982	5	40	GHBB	
Cc1cc(C(=O)NCC(=O)OCc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-]	7982075	QCNHFUQHCMSLFU-UHFFFAOYSA-N	397.214	3.683	5	40	GHBB	
C[C@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1	36393636	VKIUHIUNSLGJGE-KRWDZBQOSA-N	397.475	3.522	5	40	GHBB	
O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1	2974620	PIZJBECEMDCNJK-FQEVSTJZSA-N	386.859	3.899	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1	23077416	BYNNIFNFDFAUGB-GFCCVEGCSA-N	380.828	3.800	5	40	GHBB	
CNc1ccc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-]	58202083	VQMPPVLAINZREP-FQEVSTJZSA-N	376.416	3.893	5	40	GHBB	
Cc1noc(C)c1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(C)c12	36618359	KOBKGMYNSNRZBQ-UHFFFAOYSA-N	393.359	3.964	5	40	GHBB	
C[C@@H]1CCCN(Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1	32930074	NDZNXQMKDJZLHF-QGZVFWFLSA-N	381.476	3.686	5	40	GHBB	
CCCCn1c(-c2ccc(OC)cc2)nc2oc3ccccc3c(=O)c2c1=O	2218404	LGNPEOYDRSIGBR-UHFFFAOYSA-N	376.412	3.979	5	40	GHBB	
COc1ccccc1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	4895631	WFLGXAXKLFJZOH-UHFFFAOYSA-N	383.448	3.770	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccccc1-c1ccccc1	95481802	IDUDGLAPZGKJCU-UHFFFAOYSA-N	380.381	3.790	5	40	GHBB	
CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1	9461750	LFDNTWZRYYOVBK-UHFFFAOYSA-N	379.416	3.797	5	40	GHBB	
COc1cc(OCC(=O)NCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]	66013990	RCWNAKRXPVUKLN-UHFFFAOYSA-N	385.203	3.605	5	40	GHBB	
CCOC(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)on2)cc([N+](=O)[O-])c1	19061465	RSQWOZLWJVINJB-UHFFFAOYSA-N	396.355	3.784	5	40	GHBB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1	408786676	UQIQUTQDEAUAAH-DPWKNNTCSA-N	385.445	3.765	5	40	GHBB	
C[C@H]1CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1	226316293	MKHZRQNRGWGETL-OCAPTIKFSA-N	394.063	3.733	5	40	GHBB	
Cn1c(-c2ccccc2)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc21	5429918	AQTCZYZILMSXIR-UHFFFAOYSA-N	387.395	3.798	5	40	GHBB	
CCOC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1	907432	ZDOBQCTVWCHDDK-UHFFFAOYSA-N	398.444	3.806	5	40	GHBB	
CC(C)(C)c1ccc(S(=O)(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1	2499535	JWHQBSRQYKZIDF-UHFFFAOYSA-N	387.413	3.832	5	40	GHBB	
COc1cccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1	2796606	OHSSIRNLSGUTMC-UHFFFAOYSA-N	380.404	3.717	5	40	GHBB	
O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1	4120114	NKOJFXCLZGOZFN-UHFFFAOYSA-N	377.372	3.618	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	4717968	SVASWLVOGPBBHE-AWEZNQCLSA-N	383.187	3.847	5	40	GHBB	
CCC[C@@H](C)NC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	4893441	LILKXUUMANBAFI-OAHLLOKOSA-N	399.447	3.669	5	40	GHBB	
O=C(Nc1cc2ccncc2c2ncccc12)N1CCN(c2ccccn2)CC1	6536988	HSMLOOSTEWOILQ-UHFFFAOYSA-N	384.443	3.532	5	40	GHBB	
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	8902545	YABUTXYUAPQNBQ-HNNXBMFYSA-N	399.447	3.861	5	40	GHBB	
COc1cc(/C=C/C(=O)NCCc2cccs2)c([N+](=O)[O-])cc1OC(F)F	12796559	AOLRRIGXNKNPLJ-SNAWJCMRSA-N	398.387	3.638	5	40	GHBB	
COc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC	1925566	FJDQOLOCTLFRIH-AUWJEWJLSA-N	388.763	3.610	5	40	GHBB	
CCOc1ccccc1CCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1	10110870	DRXQXLGSZBBLBK-UHFFFAOYSA-N	388.489	3.976	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccsc1	29623247	NAIKDFCPWPUIKY-MRXNPFEDSA-N	387.417	3.716	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3[nH]2)cc1	813298	ZVNMBWQHVNGUEM-UHFFFAOYSA-N	384.351	3.939	5	40	GHBB	
CCn1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c(=O)c2cc(Cl)ccc21	47806480	ROEDSMXCZQLALN-UHFFFAOYSA-N	386.791	3.940	5	40	GHBB	
COc1ccc([C@@H]2CCCN2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1	48343187	KSJDNVZZTYUVGJ-IBGZPJMESA-N	379.420	3.657	5	40	GHBB	
COC(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1	12878435	FJZQTXRJPJJTHJ-KRWDZBQOSA-N	388.807	3.916	5	40	GHBB	
O=c1[nH]c(/C=C/c2ccc(-c3ccccc3C(F)(F)F)o2)nc(O)c1[N+](=O)[O-]	9234945	RIQXPCSAADVWRZ-SOFGYWHQSA-N	393.277	3.833	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(c2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1	9360986	HWJXTCYVPPJILE-GHMZBOCLSA-N	376.848	3.846	5	40	GHBB	
CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(CC)CC)cc1	9379412	ZWUJHTAKSYDFOY-UHFFFAOYSA-N	393.465	3.768	5	40	GHBB	
COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1OC	218183555	VZQMBWBLVQNNIV-WEVVVXLNSA-N	392.795	3.926	5	40	GHBB	
CCOc1ccccc1/C=C/C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	6006808	WDNGINFOLJEGKL-BQYQJAHWSA-N	385.372	3.617	5	40	GHBB	
C=C(c1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2)n1ccnc1	22609509	YKKKGJXQEOFXNI-UHFFFAOYSA-N	379.372	3.756	5	40	GHBB	
O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	12555600	ZQMIVJSBZOEXBG-LJQANCHMSA-N	398.463	3.719	5	40	GHBB	
COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C)n1	225859949	VUFRZPRMZBCPPV-UHFFFAOYSA-N	399.447	3.774	5	40	GHBB	
CCn1c(Cc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	47080872	MAJAJOPOSADJKQ-UHFFFAOYSA-N	385.405	3.856	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1C	10187960	OJJFNIZFUBGLPR-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
NC(=O)c1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2	6882813	PTLZOJXXGKPSGF-UHFFFAOYSA-N	397.412	3.756	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	10372868	SHSMOKYCZWFOHB-UHFFFAOYSA-N	395.459	3.882	5	40	GHBB	
C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1	6124549	OUAASKOQIQKPAO-AWEZNQCLSA-N	397.431	3.855	5	40	GHBB	
CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(ncn5nnnc45)c23)CO1	4785794	OZMZUUTXFMQGIQ-UHFFFAOYSA-N	388.456	3.801	5	40	GHBB	
CC(=O)N(c1nc(COc2cccnc2[N+](=O)[O-])cs1)c1ccccc1F	7545302	FHDMDLSMBSELMD-UHFFFAOYSA-N	388.380	3.849	5	40	GHBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC12CC3CC(CC(C3)C1)C2	28333859	KSAQEEHDGXWTBJ-UHFFFAOYSA-N	378.494	3.740	5	40	GHBB	
Cc1cc(C)cc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1	9054693	ABUPEHHXSFZVLC-UHFFFAOYSA-N	390.461	3.575	5	40	GHBB	
COc1ccc(N(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	27795664	FWMNAGXQFGAESU-UHFFFAOYSA-N	382.372	3.809	5	40	GHBB	
Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408714099	IQVOQLNQCRNFTM-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
O=C(NCCSc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	18075750	BJISIFLNXASZKT-UHFFFAOYSA-N	381.251	3.879	5	40	GHBB	
CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCCOC	2345013	VHGRJBBWLBCYAM-ZDUSSCGKSA-N	379.464	3.610	5	40	GHBB	
COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1cccc([N+](=O)[O-])c1	6295966	WMKOPKWMKWKTPB-UHFFFAOYSA-N	378.768	3.572	5	40	GHBB	
O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1	57625418	NFTXCLHNKZZHES-INIZCTEOSA-N	383.429	3.947	5	40	GHBB	
Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3420412	NDXSXLNYQFPCDH-UHFFFAOYSA-N	396.355	3.782	5	40	GHBB	
CCOc1ccc(NCCc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC	64873702	XACJJJAEQWFKBP-UHFFFAOYSA-N	397.435	3.832	5	40	GHBB	
Cc1cc(=O)oc2cc(OC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc12	4882576	USJGPEJTOVDOCV-UHFFFAOYSA-N	394.383	3.829	5	40	GHBB	
Cc1cccc(Cn2cccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2=O)c1	5269733	QGIWDVPFBTZFKN-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
Cc1cc(C2=N/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)ccc1Br	6527797	DCECVBUZHKPBAJ-GHXNOFRVSA-N	377.150	3.603	5	40	GHBB	
COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2)cc1	12979848	HJMOVZIKEUVOEY-HXUWFJFHSA-N	378.384	3.828	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	20528901	VIGXPBLSMZVVTO-UHFFFAOYSA-N	375.337	3.551	5	40	GHBB	
CCOc1cc(CO)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	4746516	FMPTVBRFHSKACQ-UHFFFAOYSA-N	382.210	3.827	5	40	GHBB	
CN1CCc2cc(Br)c(O)cc2[C@H](c2ccc([N+](=O)[O-])cc2)C1	616567648	JKGMVOKODREYMW-HNNXBMFYSA-N	377.238	3.683	5	40	GHBB	
O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	205659271	XODFSYBSNDVKQZ-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
COc1ccccc1NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	24483538	ZXIWCRHZTLVZEY-APWZRJJASA-N	381.432	3.773	5	40	GHBB	
O=C(CCNc1ccc(C(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	8782982	GHWXOZRMHYOCJL-UHFFFAOYSA-N	381.432	3.906	5	40	GHBB	
CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1ccccc1[N+](=O)[O-]	4850391	KWQWYJOTEACOQC-UHFFFAOYSA-N	381.436	3.997	5	40	GHBB	
Cc1c(Cl)cccc1Nc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-]	4922977	CYAQGVLZADOFAD-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4cccs4)o3)c1)OCOC2	2660904	BZJKUANHGJWCBC-UHFFFAOYSA-N	377.403	3.865	5	40	GHBB	
CC(=O)c1ccc(NCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)c([N+](=O)[O-])c1	12554551	QZBVJLQMMNEXIL-MRXNPFEDSA-N	386.326	3.951	5	40	GHBB	
Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1	12751434	YULDYHLBHXBXME-MRXNPFEDSA-N	393.447	3.720	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1c(=O)oc2cc(Cl)ccc21	12745029	CPVSVBKGFGFCEV-UHFFFAOYSA-N	382.203	3.899	5	40	GHBB	
O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1cccnc1	6107722	HJICDYBZTPETGQ-UHFFFAOYSA-N	390.424	3.981	5	40	GHBB	
COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCCC1=O	5440373	WDERXAKPJFDIMY-UHFFFAOYSA-N	389.795	3.636	5	40	GHBB	
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc([N+](=O)[O-])c1O	409148248	XZTNWYINKVVWHB-OQLLNIDSSA-N	392.433	3.926	5	40	GHBB	
CCc1cc2c(COC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc(=O)oc2cc1O	7988702	IVMANCWRGSRGAC-BQYQJAHWSA-N	395.367	3.726	5	40	GHBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(N2CCCC2=O)c1	24289992	NUOUSKAYXGUCSC-UHFFFAOYSA-N	382.420	3.552	5	40	GHBB	
CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	217874001	RQCBRKJWXDMHNV-OAHLLOKOSA-N	396.852	3.533	5	40	GHBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)CCN1	4044522	SIGMJKNMNFXWED-CQSZACIVSA-N	390.871	3.537	5	40	GHBB	
O=C(c1c(F)cccc1F)N1CCN=C1SCc1cccc([N+](=O)[O-])c1	4120665	QAXGRDKUQWZAJM-UHFFFAOYSA-N	377.372	3.618	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c(C)c1	8369255	SUABWJMMFPYZRC-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=C(O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1	5248684	YILMHDCPZJTMGI-UHFFFAOYSA-N	376.320	3.667	5	40	GHBB	
Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	5538366	RLVRHMAQKGZPRL-ZDUSSCGKSA-N	395.371	3.742	5	40	GHBB	
COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-]	12751752	YOTXKNFCHAKZFS-UHFFFAOYSA-N	397.412	3.914	5	40	GHBB	
C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	23918463	ZKUWWRKOYOAIEJ-AWEZNQCLSA-N	396.472	3.724	5	40	GHBB	
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCCc2ccccc21	32932308	RSQXIRVAEKLYKK-INIZCTEOSA-N	378.432	3.571	5	40	GHBB	
O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(OCc2ccccc2)CC1	48321648	AWZZFKUWKRSOOM-UHFFFAOYSA-N	379.416	3.898	5	40	GHBB	
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1	409147801	VZQZFKODHOTDNQ-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl	6314962	VDVUENILMPBFRZ-UHFFFAOYSA-N	375.233	3.689	5	40	GHBB	
CN(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1	408974910	FMKWHAKDHWFXCA-UHFFFAOYSA-N	399.483	3.642	5	40	GHBB	
O=C(Cc1ccc(-n2cccn2)cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F	40134236	VPDHQTOGYPCNKP-UHFFFAOYSA-N	388.330	3.563	5	40	GHBB	
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl	17080293	BCZYSNBTYZMFOE-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1	1556500	SNHZZMLSEMAKBM-UHFFFAOYSA-N	383.141	3.556	5	40	GHBB	
Cc1nn(CC(=O)N(C)C(c2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-]	36654496	AMVSEGUHRGUPAE-UHFFFAOYSA-N	378.432	3.656	5	40	GHBB	
Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	408628049	PWNWAEISUGOKOH-UHFFFAOYSA-N	398.488	3.939	5	40	GHBB	
O=C(NCc1ccccc1OC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	12825740	SEWHHKUXIZDGJZ-UHFFFAOYSA-N	391.374	3.726	5	40	GHBB	
CCc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	5556830	OVTAQUPJXSPASD-UHFFFAOYSA-N	383.433	3.673	5	40	GHBB	
O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187928	VNEVITFNUVSJQS-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1	2419021	UBZQWRDQJZVGNS-OAHLLOKOSA-N	391.475	3.520	5	40	GHBB	
CCOC(=O)c1ccc(N(CC2CC2)C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	58029885	IKKVDGQEUYJQLQ-UHFFFAOYSA-N	382.416	3.757	5	40	GHBB	
C[C@H]1CN(c2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2F)C[C@H](C)O1	56326261	FZMZSKGNZGUDQB-STQMWFEESA-N	388.399	3.992	5	40	GHBB	
NC(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1	3235673	AQXIPADDUGQULE-UHFFFAOYSA-N	398.418	3.887	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1	84519316	PFRZUAPPXGURDV-QGZVFWFLSA-N	376.416	3.933	5	40	GHBB	
COc1ccc(C(C)=O)cc1COC(=O)c1cc(SC)ccc1[N+](=O)[O-]	16196352	QJLHGVUCJNYNPM-UHFFFAOYSA-N	375.402	3.885	5	40	GHBB	
O=C(O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1cccc([N+](=O)[O-])c1	4177947	VTTWMSWWFLOKML-GDBMZVCRSA-N	392.820	3.589	5	40	GHBB	
CCN(CC)CCOc1ccc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1	31941103	XYCIZVIGRVLJJK-UHFFFAOYSA-N	386.452	3.609	5	40	GHBB	
CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	12557954	VFENXUORTXVUSN-UHFFFAOYSA-N	376.416	3.672	5	40	GHBB	
COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-]	6343388	PEUFKXKSJXDDHP-SNVBAGLBSA-N	379.210	3.857	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2ccccc2c1	6460899	BCRCRXHWXSOBBR-UHFFFAOYSA-N	380.356	3.552	5	40	GHBB	
Cn1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)ccc1=O	65656117	FALDNJBIYUPPOQ-CSKARUKUSA-N	381.413	3.674	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	19284980	KALSHGNYSGUGPF-PXRHCINRSA-N	387.432	3.934	5	40	GHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(O)c1	408625254	XBERBJFDNSBUMG-UHFFFAOYSA-N	397.412	3.996	5	40	GHBB	
Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	217897812	XTPZAIQBGMJVMQ-KPKJPENVSA-N	378.388	3.625	5	40	GHBB	
C[N+]1(CCOC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)CCC[C@H](c2ccccn2)C1	5394115	IZDFKXJEEICTNW-LVSIDFMESA-N	387.612	3.831	5	40	GHBB	biogenic,in-vitro
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(F)cc2)nc1	40107073	NLAFNQGKXIDDLT-UHFFFAOYSA-N	383.335	3.939	5	40	GHBB	
CCCCn1c(-c2ccccc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O	2439322	HXMNZXKEIRHFFB-UHFFFAOYSA-N	376.412	3.979	5	40	GHBB	
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1ccc(F)cc1	5107883	ZFGIXXSZAPLBBA-UHFFFAOYSA-N	398.419	3.599	5	40	GHBB	
Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	20893137	RRFABQXQTHGPCA-UHFFFAOYSA-N	393.447	3.720	5	40	GHBB	
O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	24710996	WRWOCTAECMXJFV-UHFFFAOYSA-N	377.404	3.633	5	40	GHBB	
CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	32400312	OVGMIWSSOCXWSX-UHFFFAOYSA-N	377.238	3.951	5	40	GHBB	
COc1ccc([C@H](CNc2nc3ccccn3c2[N+](=O)[O-])N2CCCCC2)cc1	32806259	VYFUHFJOYMEIQD-SFHVURJKSA-N	395.463	3.890	5	40	GHBB	
Cn1c(Cc2cccs2)nnc1SCCOc1ccccc1[N+](=O)[O-]	53233701	LRFZKTXFTSXLIP-UHFFFAOYSA-N	376.463	3.547	5	40	GHBB	
CCOCc1ccc(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1	95986250	ZXUDIBHMKMBBLI-UHFFFAOYSA-N	398.868	3.572	5	40	GHBB	
CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1	408624811	CAHHDIZRSTVLKK-BJMVGYQFSA-N	385.445	3.950	5	40	GHBB	
COc1c(C)cccc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	408626547	ICFINQFQGOVWOY-UHFFFAOYSA-N	389.839	3.528	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21)c1ccccc1	409368460	WXZLVQISIBVQFL-VURPSTOHSA-N	386.407	3.990	5	40	GHBB	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	7982855	GYYZHQGAJATCBT-CQSZACIVSA-N	388.445	3.707	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nnc(C2CC2)s1	21970047	AVNZGRMGWNXPGM-UHFFFAOYSA-N	376.441	3.522	5	40	GHBB	
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(Cc2ccccc2)n(C)c1=S	24655183	YYXPGWQUUVNJDF-CQSZACIVSA-N	395.488	3.859	5	40	GHBB	
C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1	44771193	YHLROSGHYKFOMX-GWCFXTLKSA-N	384.841	3.785	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1N[C@H](NC(=O)c1ccco1)C(=O)c1ccccc1	4420830	IGAUDOMMXWIPAY-LJQANCHMSA-N	379.372	3.547	5	40	GHBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccc2cccnc12	14253907	UBIJJSYWPPIIAT-CQSZACIVSA-N	381.457	3.983	5	40	GHBB	
CCOc1ccccc1-n1nnnc1Sc1ccc(Cl)cc1[N+](=O)[O-]	6948853	DCTAYVQKCXOKNG-UHFFFAOYSA-N	377.813	3.774	5	40	GHBB	
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)cc1	28403287	TZJRSHZOWZLOMR-CQSZACIVSA-N	387.823	3.544	5	40	GHBB	
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	3563630	TZGNYEXCGRAUAD-QGZVFWFLSA-N	394.214	3.869	5	40	GHBB	
CC(C)c1ccc([C@@H](O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1	57770758	UVGVMMJLVWAGQI-FQEVSTJZSA-N	379.416	3.676	5	40	GHBB	
COc1cccc(-c2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N)cs2)c1	12609479	GLROCAKMGLRUIZ-UHFFFAOYSA-N	385.401	3.666	5	40	GHBB	
C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccccc2[N+](=O)[O-])n1C	7871072	FIZITWQQRSUKQP-ZDUSSCGKSA-N	397.460	3.507	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1C	16736268	KTLAOIUMRXNORT-OAHLLOKOSA-N	396.465	3.866	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21	72308761	RYPYNJAUDVFVOP-OAQYLSRUSA-N	397.475	3.604	5	40	GHBB	
O=C1N[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21	5584229	HTYSAXLMIYKFSC-OAQYLSRUSA-N	376.368	3.995	5	40	GHBB	
COc1cc(CCNC(=O)c2cc(C)n(C(C)C)c2C)c([N+](=O)[O-])cc1OC	11081023	HMLSCJQGLXMZQC-UHFFFAOYSA-N	389.452	3.584	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccccn2)n1	12762462	XHAHGTIHWLAWBH-CYBMUJFWSA-N	382.445	3.875	5	40	GHBB	
C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1	48375065	OUCMBUPJZKFTJZ-INIZCTEOSA-N	391.427	3.989	5	40	GHBB	
COC(=O)c1ccc(C[N+]2(C[C@H](O)COCc3ccccc3)CCCCC2)cc1	5447026	PWJPZKSWXPTXML-QHCPKHFHSA-N	398.523	3.552	5	40	GHBB	
COc1ccc(-c2cnc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(OC)c1	224870038	HUCRYPDEOGFEAD-UHFFFAOYSA-N	397.387	3.838	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@@H](C)C2	5406386	LPJRNYYTSABNDR-NSHDSACASA-N	390.823	3.900	5	40	GHBB	
Cc1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(C(N)=O)c1C	5144882	GWUQRRLDLMUFBD-UHFFFAOYSA-N	392.436	3.976	5	40	GHBB	
O=c1ccc(-c2cccc(Br)c2)nn1Cc1ccc([N+](=O)[O-])cc1	5388416	XIVZUJZRQGWQON-UHFFFAOYSA-N	386.205	3.629	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1F	7594494	OZCLAFWJCVMJED-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1	2419022	UBZQWRDQJZVGNS-HNNXBMFYSA-N	391.475	3.520	5	40	GHBB	
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1	11765572	RQKWPLSAYDONRN-UHFFFAOYSA-N	389.415	3.979	5	40	GHBB	
O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc([N+](=O)[O-])cc1)C3	11867377	YCFBUXORFFJSFT-UHFFFAOYSA-N	378.384	3.937	5	40	GHBB	
COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cscn1	32796523	VVUBCCVEIDQRJE-UHFFFAOYSA-N	385.401	3.891	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-]	408627581	LXVZPJRZBYJNAR-UHFFFAOYSA-N	381.360	3.631	5	40	GHBB	
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408760504	ZTBSHDZHUWXYMF-LEZSPFLNSA-N	386.407	3.819	5	40	GHBB	
CC(=O)Oc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1	2945625	UJIDMJQKHPNQPR-LZYBPNLTSA-N	386.747	3.518	5	40	GHBB	
Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])c(Cl)c1	4923648	XHFJPFWGXNDTRO-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2oc(=O)ccc2c1	48368385	IACVVPOIMGNZQL-UHFFFAOYSA-N	396.402	3.900	5	40	GHBB	
C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2C1	7191679	LYFMSXTVUIQXBX-SNVBAGLBSA-N	392.408	3.716	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1F	8917354	BJXHJMOBIBRHEC-UHFFFAOYSA-N	384.363	3.935	5	40	GHBB	
COc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1	24774708	OIHXQFAUDBLJQJ-MGPUTAFESA-N	398.463	3.951	5	40	GHBB	
Cc1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1C(=O)O	20142584	FGQODJIGONVTOX-UHFFFAOYSA-N	383.404	3.844	5	40	GHBB	
O=c1[nH]c(O)nc(/C=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1[N+](=O)[O-]	13943429	RIVPIDALPSUTDB-FNORWQNLSA-N	393.277	3.833	5	40	GHBB	
COc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCS2)cc1	28527457	XRYIJCYEHGXABQ-UHFFFAOYSA-N	385.445	3.786	5	40	GHBB	
O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1	48374496	ZRUZWONHUNGSPP-UHFFFAOYSA-N	393.374	3.916	5	40	GHBB	
Cc1c(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cccc1[N+](=O)[O-]	46244430	AOUSREYWWNHSOJ-UHFFFAOYSA-N	376.372	3.803	5	40	GHBB	
Cc1cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Br	224780260	UANJBJXBYDUQOY-UHFFFAOYSA-N	399.266	3.799	5	40	GHBB	
COc1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)nn1	5259479	PGRYVTKFRHWORE-UHFFFAOYSA-N	384.779	3.966	5	40	GHBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(C(F)(F)F)c1	12526536	XVJQKTQMXPVKTD-UHFFFAOYSA-N	382.342	3.525	5	40	GHBB	
Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cccc1C(=O)O	20142780	BCDVJIKEMJIOCK-UHFFFAOYSA-N	383.404	3.844	5	40	GHBB	
C[C@H]1CCc2c(sc3ncnc(NC[C@H](O)c4ccc([N+](=O)[O-])cc4)c23)C1	15207080	GKUKSFINLCZFRC-NHYWBVRUSA-N	384.461	3.870	5	40	GHBB	
CCOC(=O)c1sc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1C	9391397	XHYNLKKYUMOFFY-UHFFFAOYSA-N	381.391	3.596	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc12	4079265	YSHVBPVPHKOSKJ-UHFFFAOYSA-N	397.368	3.572	5	40	GHBB	
CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1	2414475	UTDOORRCCBEOCH-ZFWWWQNUSA-N	391.475	3.753	5	40	GHBB	
COc1cc(CN(C)Cn2ncc3cc([N+](=O)[O-])ccc32)ccc1OC(F)F	22312066	TZSMOIQPQUZJFV-UHFFFAOYSA-N	392.362	3.644	5	40	GHBB	
O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1)c1ccccc1	5128812	BIVVVCHBTNBZQN-FQEVSTJZSA-N	375.384	3.646	5	40	GHBB	
COc1cc(C(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])cc1OC	5680100	GHKFWVVZSABEFP-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CN1CCCc2cc(F)cc(F)c21	84656292	KJQCJBACBSSFSY-ZDUSSCGKSA-N	389.402	3.845	5	40	GHBB	
COC(=O)c1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1	5444043	CDCUXRORMQVVQT-PXRHCINRSA-N	386.448	3.716	5	40	GHBB	
CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc(C)c1C	4577020	RGULZMBRMZIBAG-UHFFFAOYSA-N	392.433	3.776	5	40	GHBB	
CC(=O)c1cc(C)cc(C(C)=O)c1OCc1cc([N+](=O)[O-])cc2c1OCOC2	3317123	ORVPKSYGSPJPON-UHFFFAOYSA-N	385.372	3.754	5	40	GHBB	
CSc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-]	3342221	LZLQMNKHNYHVJB-MRXNPFEDSA-N	389.477	3.867	5	40	GHBB	
Cc1ccc(-n2ncc3c2ncn2c(-c4cccc([N+](=O)[O-])c4)nnc32)c(C)c1	5218533	HUJDASXUSABDJS-UHFFFAOYSA-N	385.387	3.655	5	40	GHBB	
CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	5838886	PNEZHISAKZWUKO-UHFFFAOYSA-N	383.448	3.809	5	40	GHBB	
Cc1ccc(-c2nnc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	408713842	AJOGPNDOYYBZAD-KPKJPENVSA-N	378.388	3.625	5	40	GHBB	
COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3c(c21)C(=O)NC3=O	13554121	PHOPMJNJEYAORG-UHFFFAOYSA-N	385.379	3.856	5	40	GHBB	
O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3206623	CHKFYDOJZYMSLA-UHFFFAOYSA-N	396.315	3.601	5	40	GHBB	
COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	12795667	AYZGTNJNILSDHL-INIZCTEOSA-N	398.415	3.742	5	40	GHBB	
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(NC2CC2)c([N+](=O)[O-])c1	16104104	VMLZKOCUYHSPGK-UHFFFAOYSA-N	377.303	3.743	5	40	GHBB	
COc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])c1	7834239	JWJFCKMNRSPMAI-CQSZACIVSA-N	384.432	3.738	5	40	GHBB	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1C(F)(F)F	95457188	UXGRAOPSUBPAQH-UHFFFAOYSA-N	382.266	3.693	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1	6052534	OMYRLEGVZWJXHF-LJQANCHMSA-N	394.431	3.985	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12	8902474	APIFWRLGXNRZKK-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
CC1(C)Cc2c(sc3ncn4nc(-c5cccc([N+](=O)[O-])c5)nc4c23)CO1	2331083	RPYNULLPEQRNJQ-UHFFFAOYSA-N	381.417	3.766	5	40	GHBB	
COc1ccc(NS(=O)(=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)cc1	5601766	OIHUCMKXIXSMKW-UHFFFAOYSA-N	391.449	3.759	5	40	GHBB	
CCCCNc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1	6946091	PNDNLOXUBXZBOU-UHFFFAOYSA-N	382.467	3.817	5	40	GHBB	
C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	40107101	NEMHYXYPHFUOBG-QGZVFWFLSA-N	381.476	3.686	5	40	GHBB	
O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1	4618940	JNARMAVHLRLXGF-KRWDZBQOSA-N	394.412	3.568	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(SC(F)F)cc1	3241976	KKAMOFMURGOROT-UHFFFAOYSA-N	382.344	3.705	5	40	GHBB	
O=C(Nc1nnc(-c2ccncc2)o1)c1cc2c(ccc3ccccc32)oc1=O	4265064	WTMFCICSZVEJIT-UHFFFAOYSA-N	384.351	3.644	5	40	GHBB	
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	7651648	OKTJTEXSVWYWKB-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	40152982	IWZLKNXJANLWLA-IBGZPJMESA-N	383.452	3.508	5	40	GHBB	
Cc1cc(Br)ccc1NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C	722274	JKWNMYUMWZUSBT-LLVKDONJSA-N	381.230	3.679	5	40	GHBB	
CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1	2414472	UTDOORRCCBEOCH-UKRRQHHQSA-N	391.475	3.753	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)c1	4783189	RLCOQUABONVTIV-UHFFFAOYSA-N	382.397	3.768	5	40	GHBB	
Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1Cl	4923114	YISFFFWYJPWJPO-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7927966	VHDVTXFGKZELTH-NSHDSACASA-N	393.321	3.605	5	40	GHBB	
CCc1ccc(OCC(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1	10010652	PABRKNNJGMDWEM-UHFFFAOYSA-N	387.417	3.793	5	40	GHBB	
COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-]	12998578	SOKLNUMNVNYVKH-UHFFFAOYSA-N	383.448	3.519	5	40	GHBB	
C[C@@H](Sc1ncccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	7786077	LRSFMDGVCXEWMR-SNVBAGLBSA-N	387.446	3.628	5	40	GHBB	
CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1	20611739	ALKAEBMEDFKAHP-UHFFFAOYSA-N	399.447	3.863	5	40	GHBB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])ccc3OC)N21	222655357	QYCZXBPGYMDNDQ-NXOUGTEYSA-N	384.461	3.978	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-]	5101140	GRAKPDRBNDUAAB-INIZCTEOSA-N	398.893	3.993	5	40	GHBB	
O=c1[nH]c2ccccc2n1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1	42109756	YSHWXUMMJLUTLQ-UHFFFAOYSA-N	389.415	3.628	5	40	GHBB	
O=C(OCCOc1ccc(F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	24981687	AEFMUIOEJJPUBX-UHFFFAOYSA-N	388.395	3.573	5	40	GHBB	
COc1ccccc1CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	6123395	QLPSMCGDQKZAMD-OAHLLOKOSA-N	383.448	3.770	5	40	GHBB	
COc1cccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1OC	4108170	LDTJRNMMCKLTOV-UHFFFAOYSA-N	390.395	3.919	5	40	GHBB	
COc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-]	21183523	NIWOCURQDQZMQZ-QGZVFWFLSA-N	396.852	3.686	5	40	GHBB	
Cc1ccccc1-n1cnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2	10243765	XGAANGRURHWGGO-UHFFFAOYSA-N	384.417	3.643	5	40	GHBB	
Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1	6580763	PGMAHOJRUBZBKP-UHFFFAOYSA-N	378.432	3.695	5	40	GHBB	
Cc1ccc(CN(C)C(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	5688953	AUSSGRVLLCPXHF-NSHDSACASA-N	385.342	3.974	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)cc1Cl	20611709	VKTFCSOMXYAECW-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C	409055605	ZXCHPBRMBHHTHJ-UHFFFAOYSA-N	381.432	3.703	5	40	GHBB	
O=C(N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccco1	836605	BEQQBGJATBNVRY-GFCCVEGCSA-N	379.583	3.693	5	40	GHBB	
CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	24392020	DCEVTURWZNQMAQ-UHFFFAOYSA-N	396.491	3.923	5	40	GHBB	
O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(Br)cc1	3668276	RBEISICSVBFJOH-UHFFFAOYSA-N	396.178	3.631	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2c(C)cc(C)cc2C)NC(=O)N1	6053072	ZBAQYLUTGCNXKX-IBGZPJMESA-N	394.431	3.787	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ncccc3o2)c1	4819961	MDSVMJNUTMZWQU-UHFFFAOYSA-N	390.355	3.816	5	40	GHBB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12	229858918	UWYRDNCOMXXPNJ-WCIQWLHISA-N	377.444	3.804	5	40	GHBB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1	7721358	XURHTGZIXUARPT-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
Cc1csc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n1	7779626	DSHRNSLRSRJHLT-UHFFFAOYSA-N	384.382	3.804	5	40	GHBB	
Cc1cccc2nc(C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cn12	6932720	NNIMCEXZETYDEL-GFCCVEGCSA-N	393.359	3.519	5	40	GHBB	
O=C1S/C(=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)C(=O)N1Cc1ccccc1	4038870	DHFHUKUJTBYPCS-PFONDFGASA-N	381.369	3.803	5	40	GHBB	
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C1CCCCC1	6658422	SKWGONZTTNEKKF-UHFFFAOYSA-N	375.454	3.502	5	40	GHBB	
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	6720205	WYGZZFZXHBITBP-UHFFFAOYSA-N	388.423	3.811	5	40	GHBB	
CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225041221	STMVXTZHDKEVEB-UHFFFAOYSA-N	376.434	3.741	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C2CCCCC2)n1C	6658424	QEJQODUVUVQJMH-UHFFFAOYSA-N	389.481	3.810	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1	7267333	KAHPOFBKKKJUNT-LBPRGKRZSA-N	377.828	3.716	5	40	GHBB	
C[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	12610025	GDTNKPQBLRWCPQ-HNNXBMFYSA-N	381.498	3.538	5	40	GHBB	
O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(COc2ccc(Cl)cc2)n1	409384833	FCRKRILQQVFWJX-UHFFFAOYSA-N	390.808	3.909	5	40	GHBB	
O=C(Cc1c(F)cccc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2	6320846	SBWWUUGFXFVGSE-UHFFFAOYSA-N	381.743	3.540	5	40	GHBB	
O=C(Nc1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	6603119	JSHBDGCWJRHTKT-UHFFFAOYSA-N	382.397	3.680	5	40	GHBB	
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7927965	VHDVTXFGKZELTH-LLVKDONJSA-N	393.321	3.605	5	40	GHBB	
COc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-]	20142479	TUQDMLXADJDKTO-UHFFFAOYSA-N	385.159	3.861	5	40	GHBB	
CCN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	409230262	CVVVOQYFLPMIDH-WOJGMQOQSA-N	390.399	3.510	5	40	GHBB	
O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@H]1C[C@@H]1[N+](=O)[O-]	40114797	ICBSIEOIQLMMSU-KHYOSLBOSA-N	383.835	3.735	5	40	GHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1	2417785	PMUHIQDTLDOSII-UHFFFAOYSA-N	383.455	3.947	5	40	GHBB	
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	16839582	GHLBEXVGZVXUJS-CQSZACIVSA-N	377.809	3.690	5	40	GHBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1	25784784	PVNVBRQJOIGNEW-QPJJXVBHSA-N	397.500	3.545	5	40	GHBB	
Cc1nn(CC(=O)N2c3ccccc3CCc3ccccc32)c(C)c1[N+](=O)[O-]	25459669	ZIKCEZUEULBSLE-UHFFFAOYSA-N	376.416	3.872	5	40	GHBB	
COc1cc(C(=O)OCCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	3450040	KFTKHUMGJXLNGV-UHFFFAOYSA-N	381.768	3.501	5	40	GHBB	
COC(=O)c1ccc(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1	7296068	OHZBDLASTAXWFB-LBPRGKRZSA-N	375.402	3.605	5	40	GHBB	
O=C(O)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1	225536543	OKRTZHRBLRXJPC-UHFFFAOYSA-N	398.415	3.899	5	40	GHBB	
COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	15825640	UPCVMFLUWLBOGB-UHFFFAOYSA-N	398.444	3.579	5	40	GHBB	
CCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1	40156502	MPJRDQYODASMNI-AWEZNQCLSA-N	382.258	3.511	5	40	GHBB	
CCCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21	100502082	NEKOZJDHDBCNHH-UHFFFAOYSA-N	381.388	3.668	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	8475632	DHYUSBJUNSILTJ-UHFFFAOYSA-N	378.388	3.649	5	40	GHBB	
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC	107949971	IHYGQUJYIGLILG-UHFFFAOYSA-N	381.182	3.627	5	40	GHBB	
O=C1OC(c2ccccc2F)=N/C1=C\c1ccc([N+](=O)[O-])c(Br)c1	5437878	HCBMSECVBRBBME-JYRVWZFOSA-N	391.152	3.841	5	40	GHBB	
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cccc1[N+](=O)[O-]	14574480	MULFZOVQAOUELZ-UHFFFAOYSA-N	391.309	3.755	5	40	GHBB	
Cc1cc(NCc2nnc(C3CC3)n2C2CC2)nc(-c2cccc([N+](=O)[O-])c2)n1	95941772	BPVHLJRCQMKRLU-UHFFFAOYSA-N	391.435	3.776	5	40	GHBB	
CCCN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O	409224394	HLGKDWPMUQRCOU-NTEUORMPSA-N	375.768	3.811	5	40	GHBB	
Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)cc1	72229086	JLOIMZMPSBGOFQ-UHFFFAOYSA-N	388.855	3.561	5	40	GHBB	
O=c1[nH]c(O)nc(/C=C\c2ccc(OCc3ccccc3Cl)cc2)c1[N+](=O)[O-]	32690754	BCUVBXUQSVVKHZ-YFHOEESVSA-N	399.790	3.787	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])CC1	19161141	CLAMTBFJVXKSBD-UHFFFAOYSA-N	384.392	3.992	5	40	GHBB	
Cc1ccc(Cl)c(OC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	4900924	VKHDQDOHQYSXAH-UHFFFAOYSA-N	376.796	3.612	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](N2CCc3ccccc3C2)C1	408612230	UZJIVWZWFIOXDR-QGZVFWFLSA-N	385.851	3.521	5	40	GHBB	
O=C(O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl	20142956	QNSZXETUPPIZHV-UHFFFAOYSA-N	389.795	3.799	5	40	GHBB	
CC(C)NC(=O)c1ccc(N(C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1	32869657	XVGIQIULLSYJJS-UHFFFAOYSA-N	391.855	3.902	5	40	GHBB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	217892264	JRKNEQPNYIPMAQ-BJMVGYQFSA-N	398.806	3.970	5	40	GHBB	
CN1CCC(Oc2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1	216926295	NFRYQTJHHVJATH-BJMVGYQFSA-N	381.432	3.720	5	40	GHBB	
CCCSc1nnc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)s1	223289706	NCDWJOQPMXYMHI-UHFFFAOYSA-N	384.508	3.820	5	40	GHBB	
CCCCOC(=O)c1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1	5251701	QPAFGOIKEPVCBL-UHFFFAOYSA-N	396.407	3.579	5	40	GHBB	
Cc1c(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cccc1[N+](=O)[O-]	40074390	NUAFDEOYMSAKHS-UHFFFAOYSA-N	376.372	3.803	5	40	GHBB	
O=C(Nc1ccc(F)cc1[N+](=O)[O-])NC1(C(F)(F)F)Oc2ccccc2O1	4574892	BSLKWHFZJARWPO-UHFFFAOYSA-N	387.245	3.543	5	40	GHBB	
Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n(CC(C)C)c1C	8394044	SAVBUNDVIXUDJS-UHFFFAOYSA-N	380.445	3.934	5	40	GHBB	
CCOc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OCC	9062430	GLZWFVOSLURNKZ-UHFFFAOYSA-N	398.375	3.695	5	40	GHBB	
CCCCCCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1	4367450	CPFYLBWQSSXHDJ-NRFANRHFSA-N	378.533	3.562	5	40	GHBB	
C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	14085327	VUSMRMYTXMOBAP-LBPRGKRZSA-N	389.481	3.955	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2ccc(C)cc2[nH]1	6506708	QTUPMPXVRUJVRD-LLVKDONJSA-N	386.433	3.907	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCSc2ccc(Cl)cc21	16709613	DKLXGSQGLVCBEO-ZDUSSCGKSA-N	378.837	3.980	5	40	GHBB	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H](C(F)(F)F)C1	9368955	JHTHVUPXBBBNOH-AWEZNQCLSA-N	385.386	3.612	5	40	GHBB	
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1	9708084	ZBEFPLMKBBDEBH-NRFANRHFSA-N	388.427	3.524	5	40	GHBB	
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cccc(C(F)(F)F)c1	6789056	IXYGYIIMRPNICP-SNAWJCMRSA-N	380.278	3.994	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCCCC1	12137686	XRPSXGVVUIEAAX-UHFFFAOYSA-N	397.431	3.629	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)O[C@H](C)C2	8269887	YJYSVHBRRMSLSP-LLVKDONJSA-N	390.823	3.900	5	40	GHBB	
Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(N)c([N+](=O)[O-])c1	69462317	NZZMXNXJHOAUSV-SNVBAGLBSA-N	378.226	3.739	5	40	GHBB	
Cc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2CCC(N)=O	5614812	YKMCOVSQTYBABF-QFIPXVFZSA-N	393.443	3.678	5	40	GHBB	
COc1cc(CCNc2nc3ccccn3c2[N+](=O)[O-])ccc1OC(F)F	32806402	QDINRFLHEVRJOZ-UHFFFAOYSA-N	378.335	3.507	5	40	GHBB	
CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	4896629	OKAHHADHVXGEOA-UHFFFAOYSA-N	398.463	3.530	5	40	GHBB	
Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	8273452	RWNLAYPAOQNWJP-UHFFFAOYSA-N	394.431	3.553	5	40	GHBB	
Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1	8636102	JBPVIBACHAWAEW-HZPDHXFCSA-N	383.452	3.517	5	40	GHBB	biogenic,in-vitro
CC(C)n1ncc2cc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cnc21	12742462	SZMUNMIEKXNARJ-UHFFFAOYSA-N	394.435	3.773	5	40	GHBB	
O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1	409326507	LGERVTFOCNULEN-CXUHLZMHSA-N	386.360	3.653	5	40	GHBB	
COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1	8473637	SCGDDGDTCRULRT-SNVBAGLBSA-N	383.857	3.777	5	40	GHBB	
COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1	5262960	MPGVVDLMFNXQFN-ZDUSSCGKSA-N	398.444	3.908	5	40	GHBB	
CCO/C=C1/C(=O)N(c2ccc(OCC)cc2[N+](=O)[O-])C(=O)c2ccccc21	5456857	RYZNXHHOCSNBAK-FOWTUZBSSA-N	382.372	3.558	5	40	GHBB	
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1	5169699	OQLSYNBPVJHSOR-UHFFFAOYSA-N	389.165	3.660	5	40	GHBB	
O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc([N+](=O)[O-])c(O)c1	12763946	MPJVFNVMALYXLP-UHFFFAOYSA-N	383.385	3.611	5	40	GHBB	
CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCCCC1	78872194	NBHBIVWSIODHNO-UHFFFAOYSA-N	381.860	3.549	5	40	GHBB	
CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(C(F)(F)F)cc1	95972121	ZWQOIOWWPKYMAX-FUHWJXTLSA-N	396.365	3.785	5	40	GHBB	
CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1	225872463	STSVWGUNAXRIQM-UHFFFAOYSA-N	399.447	3.856	5	40	GHBB	
O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12	1911936321	FPWXVWZFQXQWTH-UHFFFAOYSA-N	392.846	3.902	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])CC1	7388861	ZAFIYIFYNQJQOU-UHFFFAOYSA-N	384.392	3.992	5	40	GHBB	
CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	8902408	IFBJBRBBFVCXSY-UHFFFAOYSA-N	399.447	3.863	5	40	GHBB	
CCc1cccc(N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H]2C[C@H]3CC[C@H]2C3)c1	106918795	XIUUFLDHWOZRPY-LNLFQRSKSA-N	382.464	3.884	5	40	GHBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)o2)c([N+](=O)[O-])c1	20140661	LXFLVIHGOLHWOE-UHFFFAOYSA-N	396.355	3.743	5	40	GHBB	
Cc1nn([C@H](C)c2nnc(S)n2-c2cccc(Cl)c2)c(C)c1[N+](=O)[O-]	5425150	POZPFMJTVHRJFL-SNVBAGLBSA-N	378.845	3.540	5	40	GHBB	
COc1cccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	6820264	RNFGLOMVPHJTSH-UHFFFAOYSA-N	397.353	3.741	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1OC	7808161	JRHBVAFEHWKOJC-UHFFFAOYSA-N	388.464	3.948	5	40	GHBB	
CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1	4120102	JJZCHRRWOQGCHJ-UHFFFAOYSA-N	385.445	3.739	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1	2502947	NUHAQNPTUWVHGC-HXUWFJFHSA-N	395.440	3.910	5	40	GHBB	
Cc1ccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1	7759341	KWDKZTZHZMIXTM-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	680945	SHJHRJLQFBYZLT-UHFFFAOYSA-N	379.825	3.774	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3cccs3)nc21	2360849	SDPLYFNRMZAOIL-UHFFFAOYSA-N	385.448	3.966	5	40	GHBB	
Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	409051517	DPSYHPPLNLSFDE-UHFFFAOYSA-N	381.432	3.703	5	40	GHBB	
Cc1cccc(C(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-]	13159769	ALGQGKONIPIBKE-GOSISDBHSA-N	384.432	3.964	5	40	GHBB	
C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	5206515	WKXDFVLLOSCTIE-UHFFFAOYSA-N	388.807	3.935	5	40	GHBB	
COc1ccccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	6549632	RPFXDYFKMLCBJQ-UHFFFAOYSA-N	385.401	3.744	5	40	GHBB	
CCc1cc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])sc1C	16143704	WANDOQHFIBMWKD-UHFFFAOYSA-N	378.450	3.517	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1cccc(F)c1	29623109	UMTGNWWKRSKQRY-SFHVURJKSA-N	399.378	3.794	5	40	GHBB	
CO[C@H](COC[C@H](OC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	604938974	DGVDSTVGIBQGTI-HDICACEKSA-N	376.365	3.595	5	40	GHBB	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1	1934925	MFCXYEWZCZYBAB-QMMMGPOBSA-N	393.852	3.786	5	40	GHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC	2399581	TYPBUGXAKLCAQC-UHFFFAOYSA-N	399.454	3.761	5	40	GHBB	
CCOC(=O)C[C@H](NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	3622613	XAONXPKXGCFUFS-INIZCTEOSA-N	376.796	3.673	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(Cl)cc2c1OCOC2	16282502	HNPZQIQYOZOMCX-UHFFFAOYSA-N	378.768	3.513	5	40	GHBB	
Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	20893140	YWIDJDUDDRWFMJ-UHFFFAOYSA-N	393.447	3.720	5	40	GHBB	
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	12983652	KPJRIPFXTLPGRI-SFHVURJKSA-N	390.461	3.746	5	40	GHBB	
C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC1CC1	6624415	GBRXUKRUAQKTDX-CYBMUJFWSA-N	397.434	3.638	5	40	GHBB	biogenic
Cc1c(C(=O)NC(=S)Nc2ccccc2OC(F)F)cccc1[N+](=O)[O-]	408627119	KJTNIEYXESKYGK-UHFFFAOYSA-N	381.360	3.631	5	40	GHBB	
CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1	2436399	BICYMOFPBLSHIJ-UHFFFAOYSA-N	376.412	3.512	5	40	GHBB	
O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	4619073	CGOFMHUIODUDMT-CQSZACIVSA-N	383.187	3.847	5	40	GHBB	
Cc1cc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1C	5127363	AOFZHZSNZFMHLP-UHFFFAOYSA-N	386.448	3.910	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)NC(=O)c1ccccc1	10576883	GDWOQMHLWDDIRF-UHFFFAOYSA-N	382.397	3.659	5	40	GHBB	
O=[N+]([O-])c1ccc(NCCO)c(NCc2ncc(-c3ccc(Cl)cc3)o2)c1	12771631	SJWMECUVWHZXAK-UHFFFAOYSA-N	388.811	3.920	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1csc(-c2ccc(F)cc2)n1	25393631	FDVGUWDILGOOPB-UHFFFAOYSA-N	383.360	3.654	5	40	GHBB	
Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-]	32760547	UFGAPCXBGYXYFU-UHFFFAOYSA-N	390.795	3.656	5	40	GHBB	
O=C(NC1CC1)c1ccc(CN(C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1	32779471	MQGOIXAMUWFIKO-UHFFFAOYSA-N	394.431	3.684	5	40	GHBB	
CCOc1ccc(CCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	218050573	KVBGGRXXDJLMSP-UHFFFAOYSA-N	388.489	3.976	5	40	GHBB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)N21	222655090	MZMYRNYFBHJLEY-FSPWUOQZSA-N	384.461	3.978	5	40	GHBB	
COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4c(c3c2c1)C(=O)NC4=O	6484787	LGTURXDQKJRHSF-UHFFFAOYSA-N	385.379	3.856	5	40	GHBB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1	106701665	SAEQRAJMEHCBID-IDUWFGFVSA-N	398.396	3.868	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ncnc2ccccc12	3253519	NDBXEBDSQNZJJS-NSHDSACASA-N	384.417	3.666	5	40	GHBB	
CC1CCN(c2ccc(C(=O)OCc3ncc(Cl)n3C)cc2[N+](=O)[O-])CC1	16210415	VFDKOOFUBVJDDH-UHFFFAOYSA-N	392.843	3.575	5	40	GHBB	
CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc12	4976631	SZYWIZJYLWWFAB-JEOXALJRSA-N	399.476	3.686	5	40	GHBB	
COc1ccccc1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1	7270064	XETCTQIGRMKZQI-UHFFFAOYSA-N	392.253	3.693	5	40	GHBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1	48332112	UABPJYBGAZTLBC-IYBDPMFKSA-N	396.491	3.706	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)O[C@@H](C)C2	12937841	YIBWYGCJHFKBCM-LBPRGKRZSA-N	386.404	3.968	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1	4306108	TYHXZXBKVLTXQT-UHFFFAOYSA-N	396.407	3.862	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1[N+](=O)[O-]	5618310	YFLNBUULZQYQKI-UHFFFAOYSA-N	380.154	3.826	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CN1CCCc2cc(F)cc(F)c21	84656294	KJQCJBACBSSFSY-CYBMUJFWSA-N	389.402	3.845	5	40	GHBB	
COc1ccc(Cc2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)cc1	40123036	HMAPCLHVTQDXRU-UHFFFAOYSA-N	387.417	3.748	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2cccnc12	31091682	YMOAAWIEBDPYQR-UHFFFAOYSA-N	392.415	3.540	5	40	GHBB	
Cc1nn(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(C)c1[N+](=O)[O-]	8313529	HUXZEKIDQFQAGR-UHFFFAOYSA-N	396.451	3.530	5	40	GHBB	
CNc1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-]	26939264	IEMNPUAKRQQNTQ-ZDUSSCGKSA-N	387.436	3.923	5	40	GHBB	
COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	20036612	VNHZAYFMCIINEI-SFHVURJKSA-N	378.450	3.669	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1C	6584399	FYHUMBLLGAGCIE-UHFFFAOYSA-N	385.420	3.586	5	40	GHBB	
Cc1nc2ccccc2n(CCCNc2ccc([N+](=O)[O-])c3cccnc23)c1=O	95467577	SBLIHZZEYKITNL-UHFFFAOYSA-N	389.415	3.664	5	40	GHBB	
CN(Cc1ccc(C(F)(F)F)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	31653140	WCJIHEHJBRKAKF-UHFFFAOYSA-N	391.353	3.962	5	40	GHBB	
O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(COc2ccccc2F)o1	409386779	XPQCPQGZHVQAED-UHFFFAOYSA-N	375.337	3.660	5	40	GHBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C2(c1ccccc1)c1ccccc1	100090842	VIKJLCJUQRXXGR-WOJBJXKFSA-N	384.391	3.700	5	40	GHBB	
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1	7721321	FGKLIICBCAQHMN-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1S(=O)(=O)N1CCCCCC1	32899391	NSWAHTOGOKPICQ-UHFFFAOYSA-N	390.465	3.607	5	40	GHBB	
CN(C)C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	22696418	LFUXAKUSZNXVAM-IBGZPJMESA-N	396.491	3.618	5	40	GHBB	
O=C(NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)c1ccccc1	42109815	HKSUPMFVJXFZQK-UHFFFAOYSA-N	376.416	3.542	5	40	GHBB	
O=C(NCCCCOc1ccc(F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	24617670	LMBLASOMRCBQTC-UHFFFAOYSA-N	398.394	3.509	5	40	GHBB	
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCCC1=O	5440243	JCYYNHQYUVBMSX-UHFFFAOYSA-N	389.795	3.636	5	40	GHBB	
O=[N+]([O-])c1ccccc1OCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	89821221	KVUBJZBPIUBBBB-DOTOQJQBSA-N	396.365	3.800	5	40	GHBB	
CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1	5948433	TZVHWIYUYNTGDC-UHFFFAOYSA-N	389.433	3.519	5	40	GHBB	
O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cccc([N+](=O)[O-])c1	40106729	YXSIMPSYBYZVPD-UHFFFAOYSA-N	375.384	3.777	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-]	12652739	KPBRUQVVGZWXMK-SIIHOXLZSA-N	393.436	3.764	5	40	GHBB	
CN(C)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1[N+](=O)[O-]	22621215	VQSIUQMDOTUGRH-UHFFFAOYSA-N	388.512	3.579	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	23732766	DANWQZKDYAGLGE-ZDUSSCGKSA-N	380.370	3.892	5	40	GHBB	
O=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F	24828688	VPVWADQNSQWPQD-UHFFFAOYSA-N	387.136	3.653	5	40	GHBB	
CCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	39773398	HQLJXIRZNMGMFG-UHFFFAOYSA-N	395.375	3.636	5	40	GHBB	
COc1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2CCCO)cc1	10187302	FHWJSOPVUSCVEW-VXPUYCOJSA-N	385.445	3.748	5	40	GHBB	
CCOC(=O)C1CCN(C(=O)Nc2cc3ncccc3c3cccnc23)CC1	6891686	YPXLXXMZHBNGOZ-UHFFFAOYSA-N	378.432	3.590	5	40	GHBB	
C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](O)c4ccc([N+](=O)[O-])cc4)c23)C1	15207075	GKUKSFINLCZFRC-IAQYHMDHSA-N	384.461	3.870	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2cccnc2)n1	58133042	NSUHTIFCJSAQSQ-CYBMUJFWSA-N	382.445	3.875	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(C1CCCC1)C1CCCC1	63443060	CBSQCHBKDUMXPT-UHFFFAOYSA-N	387.480	3.759	5	40	GHBB	
C[C@@H](NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1	40068810	AVPKXEBWQQTWOG-HUUCEWRRSA-N	394.435	3.639	5	40	GHBB	
O=[N+]([O-])c1c(Br)cccc1N1CCN(Cc2ccccc2)CC1	95080980	NNGAILYYZIFTCG-UHFFFAOYSA-N	376.254	3.680	5	40	GHBB	
COc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	2380612	BWKJABILNHJQLM-UHFFFAOYSA-N	390.827	3.611	5	40	GHBB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	16839580	GHLBEXVGZVXUJS-AWEZNQCLSA-N	377.809	3.690	5	40	GHBB	
COc1cc(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c([N+](=O)[O-])cc1OC	40142554	FUNRSDYCQILAJW-AWEZNQCLSA-N	388.420	3.957	5	40	GHBB	
O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	408615100	LUAQBTQNLDIDFT-UHFFFAOYSA-N	393.374	3.916	5	40	GHBB	
CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1	16109951	CRTNUVJOGIKCFN-INIZCTEOSA-N	389.477	3.864	5	40	GHBB	
O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1cccc(Cl)c1	409094163	CMFKWFXGRPRDFC-LFYBBSHMSA-N	394.170	3.705	5	40	GHBB	
CN1C[C@H](c2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565046	HLOGMWCJAAFGQF-PZPSRYQVSA-N	392.242	3.515	5	40	GHBB	
O=C(CSc1ccsc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1	40116232	QAEDYXCQJMLQDB-UHFFFAOYSA-N	391.518	3.529	5	40	GHBB	
Cc1ccc(F)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	3412954	KRWJVDSTHCNIBB-UHFFFAOYSA-N	387.396	3.574	5	40	GHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1	6526549	FBBFVJARJJEPCP-UHFFFAOYSA-N	381.138	3.623	5	40	GHBB	
CCOc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1[N+](=O)[O-]	8430607	GGQGHLQKOVBMCD-UHFFFAOYSA-N	383.448	3.519	5	40	GHBB	
COc1cc(Cl)c(NCC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)cc1OC	11100409	OLUWEJNFNZYYQL-UHFFFAOYSA-N	393.827	3.933	5	40	GHBB	
O=[N+]([O-])c1ccc(F)cc1OCc1nnc(-c2ccc(Br)o2)o1	12622902	FLGJXRJAEXDTNQ-UHFFFAOYSA-N	384.117	3.718	5	40	GHBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)c([N+](=O)[O-])c1	20140664	FOSWVGVCQNFVLG-UHFFFAOYSA-N	398.327	3.520	5	40	GHBB	
COc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCCCC2)cc1	27793774	WQYOWKTVDIMTDY-OAQYLSRUSA-N	397.475	3.951	5	40	GHBB	
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NCc3ccco3)c12	36618442	YTTKWEDHMKNAET-UHFFFAOYSA-N	378.344	3.629	5	40	GHBB	
COc1ccc(Cl)cc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-]	7881341	ZFOJRQMUHCMCIZ-UHFFFAOYSA-N	384.219	3.752	5	40	GHBB	
O=C(Nc1cc2cccnc2c2cccnc12)N1CCN(c2ccccn2)CC1	107830050	PTULKDPOJTUMHD-UHFFFAOYSA-N	384.443	3.532	5	40	GHBB	
CCN1CCN(c2ccc(Nc3ccc(C(C)=O)cc3[N+](=O)[O-])c(C)c2)CC1	57681177	PNCUWGSKTZLZOR-UHFFFAOYSA-N	382.464	3.991	5	40	GHBB	
COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	15365092	FGLIRIZENUWQPU-QGZVFWFLSA-N	390.461	3.909	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1Cl	7381884	YHUOEEZWIIKNGA-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1	32486181	UXROWLDBGKYIAL-UHFFFAOYSA-N	390.443	3.875	5	40	GHBB	
CCn1c(=O)sc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21	225077153	HUUSJWJPTSPSDU-UHFFFAOYSA-N	377.809	3.897	5	40	GHBB	
CNc1ccc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-]	58202084	VQMPPVLAINZREP-HXUWFJFHSA-N	376.416	3.893	5	40	GHBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(OC(F)F)cc1	16587328	VZWSAZUNABIPHM-LBPRGKRZSA-N	379.363	3.655	5	40	GHBB	
Cc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C	5558564	QMPHHNURMZCTNU-UHFFFAOYSA-N	383.433	3.744	5	40	GHBB	
O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-]	5002546	ZTURFAGSHQMZEA-UHFFFAOYSA-N	381.569	3.811	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)cc1	5163261	VWOZKEQMWIZNMT-OAHLLOKOSA-N	375.388	3.734	5	40	GHBB	
CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1	32097444	QTIVGGNMWLKRKO-UHFFFAOYSA-N	375.406	3.834	5	40	GHBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(Cc1ccco1)Cc1ccco1	32770665	FBUFIPZJOLZOEY-UHFFFAOYSA-N	396.808	3.825	5	40	GHBB	
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cc(Br)cs1	52847785	YFZWYORNFZMPQU-SNVBAGLBSA-N	398.282	3.878	5	40	GHBB	
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(Cc2ccccc2)n(C)c1=S	24655192	YYXPGWQUUVNJDF-AWEZNQCLSA-N	395.488	3.859	5	40	GHBB	
Cc1nn(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1[N+](=O)[O-]	12789311	UUYJIAIUJPLYOJ-UHFFFAOYSA-N	392.415	3.668	5	40	GHBB	
COCCCn1c(-c2ccccc2C)nc2oc3ccccc3c(=O)c2c1=O	2239023	UOJSPFBGQYVDKE-UHFFFAOYSA-N	376.412	3.515	5	40	GHBB	
O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2ccccc2c2ccccc12	7719391	LXWJPICLRDVBKX-UHFFFAOYSA-N	395.418	3.910	5	40	GHBB	
O=C(N[C@H]1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	9871517	KROZQXSFKXISQI-WOJBJXKFSA-N	387.395	3.743	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-]	5785671	KPBRUQVVGZWXMK-DHSIGJKJSA-N	393.436	3.764	5	40	GHBB	
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1	2253277	SAPKROUEINISBN-LJQANCHMSA-N	399.362	3.846	5	40	GHBB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1	3181143	HIKQRUATTDDDTQ-WSXJYFSRSA-N	377.444	3.751	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)cc1	5177962	XGNAPICBNOZSPU-UHFFFAOYSA-N	384.371	3.992	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccc(Cl)cc2)c1=O	5269320	PNQCFPAWGRMDRN-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
Cc1ccc(OCc2csc(CC(=O)Nc3ccccc3C)n2)c([N+](=O)[O-])n1	6831816	CJPRWDYYWZMEBF-UHFFFAOYSA-N	398.444	3.823	5	40	GHBB	
C[C@H](OC(=O)c1cc(Cl)ccc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	7067971	JJKPJKGSUJMYRD-VIFPVBQESA-N	389.751	3.922	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@@H](c2ccccc2)C1	12545072	NZGYPOSSIOHVBY-HSZRJFAPSA-N	398.462	3.755	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1	45938800	QQQLMDPVSZSGAW-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
CN(C)C(=O)Sc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-]	65590254	ZBQGHJSIJFNELQ-UHFFFAOYSA-N	388.449	3.809	5	40	GHBB	
Cc1ccccc1NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O	95470771	FDJPCEBHCHKDOJ-UHFFFAOYSA-N	392.327	3.588	5	40	GHBB	
O=C(Nc1ccccc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	8434732	LCEIAFXJERPLRZ-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)c(=O)[nH]c2c1	13769219	ILGNZABRKZRJMP-UHFFFAOYSA-N	379.416	3.796	5	40	GHBB	
CC1=C(C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	5275375	FODMUZXEMOEGDM-XBCDXLOZSA-N	387.436	3.591	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nc(CCNc3cccc(Br)c3)n[nH]2)c1	64873670	RWJSNXAVNQFXOB-UHFFFAOYSA-N	388.225	3.797	5	40	GHBB	
O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-]	24239366	UKJZSZZAGVDHGT-UHFFFAOYSA-N	383.326	3.995	5	40	GHBB	
COc1cccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1	9945392	PZSZJQCALPRLQA-UHFFFAOYSA-N	390.339	3.509	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(OC(F)F)cc1	3298617	IWYUGXOTDWDNRK-SNVBAGLBSA-N	381.335	3.644	5	40	GHBB	
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3569850	MMKAKBNPBFGMOA-QGZVFWFLSA-N	387.411	3.826	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)nc1	8780321	HVLZNUFQWOTGTN-LBPRGKRZSA-N	389.462	3.640	5	40	GHBB	
O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	409054124	ROBIRKUWVFNNJY-UHFFFAOYSA-N	387.823	3.739	5	40	GHBB	
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	217898423	GZPSQRRONYMTMY-NYYWCZLTSA-N	398.806	3.970	5	40	GHBB	
CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-]	33795591	OLWNCVCXQCBLHB-TVFCKZIOSA-N	391.374	3.667	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1	3277389	VAUDEURTTMJAJZ-XBXARRHUSA-N	394.330	3.865	5	40	GHBB	
O=[N+]([O-])c1ccc(Oc2nc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)cc1	1657289	OJUHIQOXFYMCSH-UHFFFAOYSA-N	389.711	3.926	5	40	GHBB	
O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1C[C@H]1CCCO1	12562074	SWCQDWHGCOEWEF-ACJLOTCBSA-N	387.823	3.994	5	40	GHBB	
Cc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	12554430	YCVIKFXCLUDHCL-UHFFFAOYSA-N	383.448	3.702	5	40	GHBB	
CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	63485883	URJCSBNCUMBQEX-UHFFFAOYSA-N	389.883	3.885	5	40	GHBB	
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1	13847580	DUVWXLFDGZFYFA-UHFFFAOYSA-N	395.371	3.766	5	40	GHBB	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4900079	ABZYTPBSBHTEKA-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n[nH]1	79103083	TZOBBBHEKCZJSL-UHFFFAOYSA-N	388.405	3.528	5	40	GHBB	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	102386682	HUQLLXGZXJEKRT-SOUVJXGZSA-N	377.872	3.723	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2c(c1)CCC2	32869637	AYNHNSXMDPVRHS-UHFFFAOYSA-N	380.853	3.558	5	40	GHBB	
Cc1cc(Br)cc(C)c1OC(=O)COc1ccc([N+](=O)[O-])cc1	959370	TXLWHKZVNKQJAG-UHFFFAOYSA-N	380.194	3.959	5	40	GHBB	
O=C(c1ccccc1F)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1	7596487	QJLRSISYHAKYOE-UHFFFAOYSA-N	382.351	3.589	5	40	GHBB	
O=C(Nc1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408647299	WVOCNZSATUKGHD-OAHLLOKOSA-N	375.384	3.740	5	40	GHBB	
Cc1cc(OS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccccc2)n1	11691524	QAAHFVQRLLAWCT-UHFFFAOYSA-N	393.808	3.510	5	40	GHBB	
COc1cccc(OC)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	6458184	JQGGYZWBHYOUOI-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1	32498450	KCWSQBNUQQJKDA-VMPITWQZSA-N	391.880	3.667	5	40	GHBB	
Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O	20142598	HLPQOELHJVWKLK-UHFFFAOYSA-N	399.403	3.550	5	40	GHBB	
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1O	409125288	LQAPFWJGMWNWEA-OVCLIPMQSA-N	392.433	3.926	5	40	GHBB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]	39435478	BNEXJWVKZYYMRC-OAHLLOKOSA-N	386.404	3.636	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-]	408624916	DKWSEHXYYWWUPI-UHFFFAOYSA-N	390.421	3.779	5	40	GHBB	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1Cc1ccccc1Cl	25254703	AMFNTAWGCOAHHZ-UHFFFAOYSA-N	399.834	3.759	5	40	GHBB	
CSc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-]	17822555	FBBJMQCCJRBAMY-OAHLLOKOSA-N	399.472	3.808	5	40	GHBB	
O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	907721	KVTYHYDIPOCBEI-GOSISDBHSA-N	381.388	3.527	5	40	GHBB	
CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	7363503	VPDVAZFQRPQXCF-UHFFFAOYSA-N	392.433	3.661	5	40	GHBB	
COc1cc(CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OC(F)F	32962400	DHZKIBJIKUHWIT-UHFFFAOYSA-N	380.347	3.785	5	40	GHBB	
O=C1N(Cc2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc2C12OCCO2	4105373	GLKSRDYYOGKTDN-UHFFFAOYSA-N	395.198	3.648	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1	5505122	OMTXBVVIQNVSLZ-IBGZPJMESA-N	394.431	3.985	5	40	GHBB	
CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	26780262	RHZLGHADLCQGGN-LJQANCHMSA-N	394.431	3.732	5	40	GHBB	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1	409150754	DKZHEFAZTXUNNV-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-]	7532326	CLRWCBGAOREYQG-KBXCAEBGSA-N	382.416	3.642	5	40	GHBB	
Cc1nn(CC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)c(C)c1[N+](=O)[O-]	7985474	CMOXEWHTTQLURB-UHFFFAOYSA-N	384.411	3.897	5	40	GHBB	
NC(=O)c1ccc(Sc2nnc(Nc3cccc(F)c3)s2)c([N+](=O)[O-])c1	8705113	VZNRUNNUXBJBRC-UHFFFAOYSA-N	391.409	3.579	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccccc2C)CC1	9062926	UHIJQBQGWXYTHU-UHFFFAOYSA-N	383.448	3.763	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1	23077418	BYNNIFNFDFAUGB-LBPRGKRZSA-N	380.828	3.800	5	40	GHBB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-]	40133361	RDWXLJHAMODFMP-UHFFFAOYSA-N	396.422	3.738	5	40	GHBB	
COc1cc(CNC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC	58440407	IAPONCHHDBZGNP-IBGZPJMESA-N	385.464	3.539	5	40	GHBB	
O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccn1	95470829	IUUDBNOHQXUYGU-UHFFFAOYSA-N	398.172	3.706	5	40	GHBB	
Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])sc2c1	408627179	LAOMTKFWYKPZBX-UHFFFAOYSA-N	386.458	3.948	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-]	3317344	GEPNKOCKNMWUJM-UHFFFAOYSA-N	384.432	3.887	5	40	GHBB	
COC[C@@H](C)n1c(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	3403142	INKWAUPMVYPTJX-CYBMUJFWSA-N	385.445	3.804	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)s1	6348499	ZGKURBKDEQFZOG-UHFFFAOYSA-N	377.241	3.528	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1	13633115	AVRHDPAONQUOHT-UHFFFAOYSA-N	383.448	3.653	5	40	GHBB	
COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F	25188666	BIIQVZLWKJVBLM-GFCCVEGCSA-N	378.425	3.882	5	40	GHBB	
CNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1[N+](=O)[O-]	4126367	PBJNRHOIDZRWQW-UHFFFAOYSA-N	382.342	3.974	5	40	GHBB	
O=[N+]([O-])c1cccc(OCCCN2CCN(c3nsc4ccccc34)CC2)c1	13725845	BGNKPNCIAGNKAT-UHFFFAOYSA-N	398.488	3.796	5	40	GHBB	
COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])c(C)c2c1	4525017	MIODRXLNUFHMRC-UHFFFAOYSA-N	398.371	3.762	5	40	GHBB	
CC(C)(C)OC(=O)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	89694277	ARDBSHWIAFYOEK-HYSAVQALSA-N	382.416	3.807	5	40	GHBB	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cccn2-c2cc3c(cc21)OCCO3	225381043	NTIMXHAUHUDKIN-OAHLLOKOSA-N	376.368	3.875	5	40	GHBB	
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	222799172	TXFQLNPRXBVWBI-RTBURBONSA-N	393.472	3.773	5	40	GHBB	
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1Nc1ccc(F)cc1Cl	16429860	AZAUOLKRTISIOG-UHFFFAOYSA-N	384.154	3.603	5	40	GHBB	
COc1cc(OC)cc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1	4108161	UOUGIIMDMBNVLC-UHFFFAOYSA-N	390.395	3.919	5	40	GHBB	
CN(C)CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1	4585273	FSJDFFYBQYULRM-ZHACJKMWSA-N	396.472	3.813	5	40	GHBB	
CCc1ccc(-c2nc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1	12982935	USVIUMAFFPZLOR-GOSISDBHSA-N	397.456	3.744	5	40	GHBB	
O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)c1ccccc1[N+](=O)[O-]	408625639	FCNRUAGCEXBCCS-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl	5593098	QMLVXPDFNXBYGL-UHFFFAOYSA-N	397.815	3.913	5	40	GHBB	
Cc1cccc(CSCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	7652656	LZASGQBWEZNJMG-UHFFFAOYSA-N	399.428	3.930	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	20410755	KOTIOQBRZDHFST-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(F)F	25457355	KPOBIJRZBUULRK-SNVBAGLBSA-N	381.335	3.644	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(NC(=O)c2cccs2)cc1	13843349	SZPUSUNROPUHJU-UHFFFAOYSA-N	383.385	3.867	5	40	GHBB	
CC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	4870636	JROVMZXZXLZWRJ-CQSZACIVSA-N	376.796	3.924	5	40	GHBB	
CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2O1	15881086	AARQPLVHPIMMAI-UHFFFAOYSA-N	376.796	3.979	5	40	GHBB	
CCCCOC(=O)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2n1	2139342	ABBSZPPAAATXAF-UHFFFAOYSA-N	388.427	3.943	5	40	GHBB	
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	8902542	YABUTXYUAPQNBQ-OAHLLOKOSA-N	399.447	3.861	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCCC1	9229355	APTSITREOKECPG-JLHYYAGUSA-N	379.416	3.873	5	40	GHBB	
COCCn1c(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc2ccccc21	9467180	RCIQAIVHNZWNGC-UHFFFAOYSA-N	385.445	3.874	5	40	GHBB	
Cc1sc2nc3c4ccccc4c(NC[C@@H]4CCCO4)nn3c(=O)c2c1C	723836	ZFFYXQLPZAGUBH-ZDUSSCGKSA-N	380.473	3.665	5	40	GHBB	
CC(=O)Nc1cccc(Nc2nnc(Sc3ccc([N+](=O)[O-])cn3)s2)c1	12545356	OACQZVLOUKGDGT-UHFFFAOYSA-N	388.434	3.695	5	40	GHBB	
Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	12886103	IHLBSFBTYCNYLO-UHFFFAOYSA-N	385.464	3.564	5	40	GHBB	
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2	13000552	BUFKVDRDODGAKY-OAHLLOKOSA-N	388.807	3.997	5	40	GHBB	
Cc1ccc(C)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	6552634	WWAHXRHEZHRBAP-UHFFFAOYSA-N	383.433	3.744	5	40	GHBB	
Cc1cc2c(c(=O)n1C)[C@@H](c1cc3cc4ccccc4cc3nc1O)CC(=O)O2	524732784	NSLWZKYJQFXICV-MRXNPFEDSA-N	386.407	3.542	5	40	GHBB	
CCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	26544370	ZRFUFQHGTDBWML-UHFFFAOYSA-N	385.239	3.721	5	40	GHBB	
COCc1cc(C)nc2sc3c(O)nc(-c4ccccc4[N+](=O)[O-])nc3c12	78549431	VHTFURCFKDMCPF-UHFFFAOYSA-N	382.401	3.975	5	40	GHBB	
COc1ccc2ccc3c(CCN(C)C#N)cc4c(c3c2c1OC(C)=O)OCO4	1563634	HHXSEXSWQPDBHP-UHFFFAOYSA-N	392.411	3.611	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CCCCC1	4349194	WJSFRZIWYCRWDI-UHFFFAOYSA-N	389.481	3.985	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1	8092475	XGRYMRXQCFVPLY-UHFFFAOYSA-N	397.353	3.693	5	40	GHBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1	12655684	KIUXNXLZNIEXCD-UHFFFAOYSA-N	398.213	3.623	5	40	GHBB	
O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1	4058883	ZWNJCKBNBVLZIM-UHFFFAOYSA-N	387.314	3.880	5	40	GHBB	
CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC	16096175	JBNAORDNZOJTQQ-UHFFFAOYSA-N	380.422	3.501	5	40	GHBB	
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Cl)c1	17080294	RUSZWHBOTTWWDH-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
CCN(CC)COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	23379251	FSWBHYIRDTZWAV-UHFFFAOYSA-N	385.420	3.612	5	40	GHBB	
COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1-c1ccc(CO)o1	20137283	LTNNKWYWBSMSFS-UHFFFAOYSA-N	382.372	3.537	5	40	GHBB	
COc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1	6898012	QCPZOGXCXSXVLW-UHFFFAOYSA-N	392.433	3.570	5	40	GHBB	
COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	8917441	GKFVCIZJXGWFAA-FQEVSTJZSA-N	383.448	3.560	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C	78992182	WMUJDOLEKVKRGM-RHSMWYFYSA-N	391.468	3.669	5	40	GHBB	
O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	24885525	YHMOTOONVIFUOG-UHFFFAOYSA-N	391.431	3.840	5	40	GHBB	
Cc1nn(C)c(NCc2csc(Cc3ccc(Cl)cc3)n2)c1[N+](=O)[O-]	585139176	GMAIQEXEHLAEHC-UHFFFAOYSA-N	377.857	3.950	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCOc1ccc(Br)cc1	3290912	BOIOFUAIOSVOEO-XCVCLJGOSA-N	392.205	3.993	5	40	GHBB	
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408642396	ONOHPWKFGWSOLU-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
Cc1nc(N2CCOCC2)nc(Oc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-]	5024865	NRJJYZNFEDPMGH-UHFFFAOYSA-N	392.415	3.989	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(Cl)c2)NC(=O)N1	5865223	LCFDOYAMRDAHFY-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1ccccc1	408566042	DPKWIZPXGWLUII-MRXNPFEDSA-N	385.405	3.594	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nccs2)c1	40150882	XMHBDVLDLFBLBK-UHFFFAOYSA-N	375.431	3.828	5	40	GHBB	
O=C(CSc1nnc(Cc2ccccc2)[nH]1)c1cc([N+](=O)[O-])ccc1Cl	7342099	PYYWQQHCFHHIIT-UHFFFAOYSA-N	388.836	3.932	5	40	GHBB	
O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1	20496143	QOJBOCUIIHBPKB-UHFFFAOYSA-N	389.165	3.660	5	40	GHBB	
O=C(/C=C/c1ccc2ccccc2n1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	6558122	UKAMZJULENMEEG-BQYQJAHWSA-N	392.367	3.766	5	40	GHBB	
CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC	8324695	HSRTXZWSBYSDRL-UHFFFAOYSA-N	379.844	3.857	5	40	GHBB	
Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccc([N+](=O)[O-])cc2)c1	984708	KPRZJFWKHMKZNI-UHFFFAOYSA-N	388.383	3.882	5	40	GHBB	
O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccncc12	23381283	OLRVDSJUUUYGGO-NRFANRHFSA-N	396.422	3.768	5	40	GHBB	
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])s2)sc1-c1nccn1C(F)F	12757122	QUPVOWASTBDIGF-UHFFFAOYSA-N	385.377	3.932	5	40	GHBB	
CC(C)c1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)o1	20033782	AQULVKGIQQRRAD-UHFFFAOYSA-N	386.227	3.839	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1	7641442	AWQLLOUOCNRVAZ-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
Cc1nn(C[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1Br	2794525	UXPWBMUBILDWMD-QMMMGPOBSA-N	399.220	3.585	5	40	GHBB	
Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1	24754837	WCHHLBSGOFOECP-UHFFFAOYSA-N	383.838	3.967	5	40	GHBB	
Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)c([N+](=O)[O-])c1	20140590	FLQNHQLTRMAWJU-UHFFFAOYSA-N	382.328	3.819	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccc2c(c1)N(C)CCC2	97376405	OTEHZEVJRLAQNT-UHFFFAOYSA-N	395.868	3.740	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	811341	RLMRLCCKFSZXKO-UYRXBGFRSA-N	391.383	3.906	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1	7594287	QLJPANZZTSQFQG-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
COc1cc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c(C)cc1[N+](=O)[O-]	5262032	RXUDIRKSQDMIKC-UHFFFAOYSA-N	395.818	3.775	5	40	GHBB	
Cc1ccc(NC(=O)[C@H](NCc2ccccn2)c2ccccc2)c([N+](=O)[O-])c1	5935220	PZZVYUIMQYOMBW-HXUWFJFHSA-N	376.416	3.768	5	40	GHBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)CCc2ccccc2)CC1	40086804	VNODTPKWGPUPRV-UHFFFAOYSA-N	399.422	3.544	5	40	GHBB	
O=c1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)[nH]1	12428868	XTYHSOQXCVWJLM-FIFLTTCUSA-N	390.355	3.927	5	40	GHBB	
O=C(Cc1cccs1)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1	4087820	CEDDHEQEOFERIG-UHFFFAOYSA-N	392.487	3.981	5	40	GHBB	
CCCc1ccc([C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)c2cccs2)cc1	40139192	DOYJTHLACZPGQU-LJQANCHMSA-N	384.461	3.711	5	40	GHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1C1CCCCC1	882912	WNVMRZOLJARALA-UHFFFAOYSA-N	389.481	3.985	5	40	GHBB	
COc1cccc(CC(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	16584307	UAOLOBRKNDQASD-GFCCVEGCSA-N	383.360	3.500	5	40	GHBB	
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccncc2)n1C1CC1	29406127	GOYCJLMJIBAHGY-UHFFFAOYSA-N	397.416	3.521	5	40	GHBB	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc(Br)cc1	1068893	XLVJPQBPGBWGAE-INIZCTEOSA-N	390.193	3.596	5	40	GHBB	
CC(C)(C)NC(=O)NC(=O)COC(=O)c1c2ccccc2cc2ccccc12	3311900	COIATEORNMEVHP-UHFFFAOYSA-N	378.428	3.774	5	40	GHBB	
O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1	6828735	SYSIHWPTJMSZPH-UHFFFAOYSA-N	390.411	3.822	5	40	GHBB	
Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	7122365	XVMNWYGVUBSFMY-HXUWFJFHSA-N	376.368	3.958	5	40	GHBB	
CS(=O)(=O)c1ccc(NCCNc2cccc3ccccc23)c([N+](=O)[O-])c1	5228593	JOAVCYHAVYAIDI-UHFFFAOYSA-N	385.445	3.676	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1	5512938	ZZBJVNLOVNDYTA-XCVCLJGOSA-N	394.168	3.851	5	40	GHBB	
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	6478266	OSQVQHOFPAWLPJ-UHFFFAOYSA-N	394.416	3.630	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-]	1936126	RFRLAYZHCZXKOU-UHFFFAOYSA-N	382.294	3.718	5	40	GHBB	
C[C@@H](NC(=O)[C@@H](C)n1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1Cl	9515788	YWRGCUMWCNZLPY-NXEZZACHSA-N	384.219	3.502	5	40	GHBB	
O=C(/C=C/c1ccccc1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1	6648205	CDEDOKDXEDGUKU-FMIVXFBMSA-N	390.399	3.849	5	40	GHBB	
Cc1cc(Br)ccc1NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C	722275	JKWNMYUMWZUSBT-NSHDSACASA-N	381.230	3.679	5	40	GHBB	
O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1F	12396049	YHZWQOBWGRVDBV-UHFFFAOYSA-N	378.319	3.833	5	40	GHBB	
COc1ccc([C@H]2CCCN2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1	48343189	KSJDNVZZTYUVGJ-LJQANCHMSA-N	379.420	3.657	5	40	GHBB	
COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	5034568	BEKLOVVSSUGRKZ-UHFFFAOYSA-N	396.355	3.902	5	40	GHBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCSc1ccc(Cl)cc1	27958811	YKZPUFUPHXUSGP-UHFFFAOYSA-N	386.882	3.627	5	40	GHBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCc1ccc(Cl)cc1	32777254	MYDWZQBRXOPPMP-UHFFFAOYSA-N	377.809	3.798	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)ccc1Cl	3885319	ZDDVIRYZARFPSI-UHFFFAOYSA-N	399.215	3.646	5	40	GHBB	
CC(C)[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1	26802088	OJKJRFXVLJTBEG-GOSISDBHSA-N	389.477	3.620	5	40	GHBB	
Cc1ccc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1[N+](=O)[O-]	227142970	HZDFBYPANRKHQU-UHFFFAOYSA-N	391.416	3.693	5	40	GHBB	
Cc1cccc(N2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)c1	16281623	WSAPWNGHLOKISD-INIZCTEOSA-N	385.489	3.733	5	40	GHBB	
O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1	2119032	MPANFRBATGWFFA-WBVHZDCISA-N	391.427	3.636	5	40	GHBB	
NC(=O)c1ccccc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl	2214609	ABWJPQPFSMOKET-UHFFFAOYSA-N	375.793	3.814	5	40	GHBB	
O=C(Nc1ccnc(C2CCCC2)n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	96006627	CYYAAXPPVUEFFJ-UHFFFAOYSA-N	395.463	3.898	5	40	GHBB	
CCc1nc(N)nc(N)c1-c1ccc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1	5479497	MKDIUOVQPQWTBF-LBPRGKRZSA-N	378.436	3.952	5	40	GHBB	
Cc1nc(CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cs1	36662683	LZGPOXDURSXXMQ-UHFFFAOYSA-N	384.446	3.757	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)cc1	728707	XMWOQIOSUWFTBD-HNNXBMFYSA-N	384.866	3.685	5	40	GHBB	
O=C(NCc1ccc(F)c(Cl)c1)c1ccc2nc3ccccc3c(=O)n2c1	57477702	NTFDLQBMUHINTC-UHFFFAOYSA-N	381.794	3.570	5	40	GHBB	
CC(=O)Oc1cn(CCCOC(C)C)c2nc(C)n3c4ccccc4nc3c12	13228191	UBGWLLCCGYOAPE-UHFFFAOYSA-N	380.448	3.886	5	40	GHBB	
COCCCn1c(-c2ccc(C)cc2)nc2oc3ccccc3c(=O)c2c1=O	2442528	QROJXOFQDLUEHK-UHFFFAOYSA-N	376.412	3.515	5	40	GHBB	
Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cc1[N+](=O)[O-]	4891221	CXXAAZBFDNGQBF-NSHDSACASA-N	399.432	3.513	5	40	GHBB	
C[C@H](c1ccccc1)n1cnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	58018111	UTQCHCRUTKJDNF-CYBMUJFWSA-N	383.433	3.526	5	40	GHBB	
COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Cl)ccc21	100872492	YTMQFBQWDUVJBQ-ICFOKQHNSA-N	397.865	3.713	5	40	GHBB	
CN(Cc1cccc(Cl)c1Cl)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	26712666	WUZBLURWLFCKKE-CQSZACIVSA-N	385.247	3.773	5	40	GHBB	
NC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1	21222281	PMTYZVFCEQHKLS-UHFFFAOYSA-N	376.372	3.690	5	40	GHBB	
COc1ccc(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-]	5560691	VVINMPCUZGXJHQ-UHFFFAOYSA-N	386.404	3.832	5	40	GHBB	
Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[N+](=O)[O-]	18110955	XATKVDPWJSQVOP-UHFFFAOYSA-N	379.869	3.576	5	40	GHBB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1cccc([N+](=O)[O-])c1	408562918	SHNYGSFPJGQHFO-UHFFFAOYSA-N	397.362	3.604	5	40	GHBB	
Cc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Br	225083491	MIQDGKFOJJAKEB-UHFFFAOYSA-N	399.266	3.799	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(CN2CCCCC2)cc1	16506463	KUHQCIMHJHUXBL-JLHYYAGUSA-N	379.460	3.910	5	40	GHBB	
O=C(O)c1cccc(CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c1	2328492	CKVJBQJWIBGJNO-DHDCSXOGSA-N	384.369	3.530	5	40	GHBB	
O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccccc1[N+](=O)[O-]	6083120	KVMSCUMIIRKSEE-UHFFFAOYSA-N	381.388	3.581	5	40	GHBB	
CCn1c(COc2ccccc2)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-]	409386502	USHVWZAZTIOKDB-UHFFFAOYSA-N	384.417	3.749	5	40	GHBB	
Cc1ccc(NC(=O)CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	8777733	JEGNZKPZMVNDHL-UHFFFAOYSA-N	383.429	3.829	5	40	GHBB	
COc1cccc(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)c1	38828931	UNLVBKSJIKGJRO-UHFFFAOYSA-N	389.455	3.755	5	40	GHBB	
CCc1nc(CN2CCC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)no1	610470813	UXTKTVIVJQBGSQ-LBPRGKRZSA-N	399.373	3.636	5	40	GHBB	
O=C(NC[C@@H]1COc2ccccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	50294026	DJWDAHWYBRFSDY-CYBMUJFWSA-N	395.440	3.699	5	40	GHBB	
CCOC(=O)[C@@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12	2261099	IKFVSVFHVALILA-MISYRCLQSA-N	392.411	3.631	5	40	GHBB	
O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1Cc1ccco1)CCC2	4940138	ZZWGFJRIEBVPPV-UHFFFAOYSA-N	383.429	3.574	5	40	GHBB	
O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1Nc1ccc(F)cc1Cl	4924019	IESRKCIMYXLKAZ-UHFFFAOYSA-N	384.154	3.603	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])N1CCc2sccc2[C@H]1c1ccccc1	53442845	WNKCSOVOGXUNAQ-LJQANCHMSA-N	395.440	3.604	5	40	GHBB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O	409157689	NGLVNZFBVUITOQ-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
Cc1ccc(OCCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	5968671	FUWKAMGDLSRWQG-UHFFFAOYSA-N	384.432	3.742	5	40	GHBB	
O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	20142736	IMMJYZZQQMCRLT-UHFFFAOYSA-N	389.795	3.799	5	40	GHBB	
COc1ccccc1NC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	79059103	RBVFNEGHTUIWOQ-OAHLLOKOSA-N	398.463	3.507	5	40	GHBB	
O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	215018234	ZCSKTRFKEVOSKI-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
O=C(NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Br	32118933	JEXIYLQEUPHSEX-UHFFFAOYSA-N	379.254	3.912	5	40	GHBB	
CNc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-]	7257669	XNHZAIMCILMQHP-UHFFFAOYSA-N	382.464	3.552	5	40	GHBB	
COc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)no2)cc1OC	46086795	MAZUIJBKKGXIBB-UHFFFAOYSA-N	383.360	3.828	5	40	GHBB	
O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccc([N+](=O)[O-])c1	1085671	KLDMMWCPESKTLX-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O	13546619	FIGGNKGHHWOLDK-OQLLNIDSSA-N	386.385	3.546	5	40	GHBB	
O=C(c1ccccc1)c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1	40139274	WMQLDGSMEZCJOZ-GOSISDBHSA-N	392.415	3.945	5	40	GHBB	
O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1	2253276	SAPKROUEINISBN-IBGZPJMESA-N	399.362	3.846	5	40	GHBB	
CSc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-]	6948843	MOMCOUSTZHBDJF-UHFFFAOYSA-N	387.461	3.644	5	40	GHBB	
Cc1cc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc(C)c1Cl	73642496	KARPUQHUPWCMOH-UHFFFAOYSA-N	387.823	3.710	5	40	GHBB	
CSc1nc2oc3ccc(Cl)cc3c(=O)c2c(=O)n1Cc1ccccc1	5451066	GYZIRPTYTZDHGD-UHFFFAOYSA-N	384.844	3.927	5	40	GHBB	
O=C(Cc1coc2ccc3ccccc3c12)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	7842699	XXIAYUZSKLAOSH-IBGZPJMESA-N	390.395	3.887	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1	7979704	HNMDZBKNMZDVHD-LLVKDONJSA-N	399.419	3.733	5	40	GHBB	
C[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	12610023	GDTNKPQBLRWCPQ-OAHLLOKOSA-N	381.498	3.538	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(Br)cc1F	5700256	MYCDYCGAHHAVES-UHFFFAOYSA-N	398.188	3.556	5	40	GHBB	
CCN1CCc2c(sc3c2C(O)=N[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1	4556330	FYGXEEBELLWOCP-MWWKQMNYSA-N	384.461	3.804	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(C3CCCCC3)nc21	2342742	GNSWLYZYKVTFHQ-UHFFFAOYSA-N	389.455	3.937	5	40	GHBB	
Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCO1	3542769	WPYRBDAUOPBQCR-HNNXBMFYSA-N	376.384	3.593	5	40	GHBB	
CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1	5469652	STQHNWGKOWVOCC-LLVKDONJSA-N	387.461	3.913	5	40	GHBB	
CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	7054951	VVLSYXMOSACMKI-UHFFFAOYSA-N	398.824	3.614	5	40	GHBB	
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Br)cc3)oc12	73641749	QBRUEBOONSOYOH-UHFFFAOYSA-N	377.150	3.952	5	40	GHBB	
CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1	5841674	MNBJGVDPBSJBGC-UHFFFAOYSA-N	391.811	3.860	5	40	GHBB	
O=C(Oc1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	850616	NOATVXAPPKEBHJ-UHFFFAOYSA-N	388.335	3.615	5	40	GHBB	
NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	106531580	LBBDLPSHYLONHA-PSEJXSGSSA-N	391.777	3.890	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccc(F)c(F)c2)no1	27663779	WYNZUBUGQUYSSB-UHFFFAOYSA-N	375.287	3.546	5	40	GHBB	
Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2nc3ccccc3s2)c1C	7690110	JGXLXVRPCPIDAT-UHFFFAOYSA-N	384.461	3.892	5	40	GHBB	
COC(=O)[C@H](CNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	78903444	GEFPTNHBROZGDS-GOSISDBHSA-N	392.415	3.729	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN=C1SCc1ccccc1	4119821	JRJSNFPXSKMANX-UHFFFAOYSA-N	375.837	3.993	5	40	GHBB	
CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCC	7361137	FAEVNLKUASQXHS-UHFFFAOYSA-N	380.422	3.501	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc1	2214104	UBRUFBHYILBQFD-UHFFFAOYSA-N	387.398	3.523	5	40	GHBB	
COc1cc(OC)c(OC)cc1CNCc1cc([N+](=O)[O-])ccc1OC(F)F	48367080	XXPUXUSQGNWFRZ-UHFFFAOYSA-N	398.362	3.512	5	40	GHBB	
CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	12805319	HALJHPHTZOKMBD-INIZCTEOSA-N	398.415	3.742	5	40	GHBB	
Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	20142588	ZTEIRDZXVGDQFG-UHFFFAOYSA-N	383.404	3.844	5	40	GHBB	
COCCn1c(-c2ccc(C)cc2)nc2sc3ccccc3c(=O)c2c1=O	2433054	BBTQVSJZIIRBQY-UHFFFAOYSA-N	378.453	3.593	5	40	GHBB	
CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccs1	26802748	DQRMBIQRCIQEKX-GOSISDBHSA-N	389.477	3.620	5	40	GHBB	
COc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-]	48206741	CJDPMTOAFYHJDS-UHFFFAOYSA-N	391.221	3.785	5	40	GHBB	
C[C@H](CC(=O)Nc1ccc2oc3ccccc3c(=O)c2c1)NC(=O)C1CCCC1	96004262	AJQXIEHKAQIVNO-CQSZACIVSA-N	392.455	3.970	5	40	GHBB	
O=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1	9426443	LNUHYDZBYAOZSQ-UHFFFAOYSA-N	384.417	3.710	5	40	GHBB	
CCOc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1	5006186	RMSKAFWMJOPFJS-SOFGYWHQSA-N	377.447	3.581	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1	12752114	UYJLTNRALPSCHW-QGZVFWFLSA-N	392.433	3.863	5	40	GHBB	
O=c1cc(CN2CCc3ccccc3C2)occ1OCc1ccc([N+](=O)[O-])cc1	4583913	BKSMYBMNYKWZMT-UHFFFAOYSA-N	392.411	3.685	5	40	GHBB	
COC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1	6228914	KUAKACAWLQQNCD-UHFFFAOYSA-N	391.792	3.897	5	40	GHBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NC12CC3CC(CC(C3)C1)C2	32777252	IRRSDYQIWFPVLC-UHFFFAOYSA-N	387.461	3.913	5	40	GHBB	
COc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1[N+](=O)[O-]	8273594	XXSXJKUOGXGHOP-UHFFFAOYSA-N	394.431	3.797	5	40	GHBB	
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2	12562442	IZIJPHPYJFZAHV-STQMWFEESA-N	385.420	3.756	5	40	GHBB	
Nc1nnc(Sc2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)s1	20530252	OUANGQFBLMRKCZ-UHFFFAOYSA-N	397.441	3.688	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccnc1)C1CC1	28517803	RIODCUMUUSESJQ-UHFFFAOYSA-N	383.451	3.741	5	40	GHBB	
C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]	36396569	LWXVJDVTSAMLLA-QGZVFWFLSA-N	381.476	3.828	5	40	GHBB	
COc1cc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc(OC)c1OC	40169674	HTBNVOLCTVXNIT-UHFFFAOYSA-N	390.783	3.726	5	40	GHBB	
Cc1ccccc1C(=O)NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1	48290572	VQQQWKXHOJRHPW-UHFFFAOYSA-N	390.443	3.850	5	40	GHBB	
O=c1c2ccccc2nc(S)n1-c1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1	102436984	FEUOUEZNSMYBNY-UHFFFAOYSA-N	397.334	3.524	5	40	GHBB	
CC(C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cn1	1538265207	GOIKXIREMHNKHM-UHFFFAOYSA-N	398.448	3.645	5	40	GHBB	
Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1-c1nccn1C	12733772	CPZGSNVFEMMDHA-UHFFFAOYSA-N	377.813	3.666	5	40	GHBB	
CCc1ccccc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C	17078268	GMYUSLKWBPVVNJ-UHFFFAOYSA-N	383.408	3.568	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1n[nH]cc1-c1cccc(Cl)c1	84190095	YIQDMPZYCRXKEP-UHFFFAOYSA-N	392.824	3.748	5	40	GHBB	
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1	17079053	LPMXERDKSSWVBM-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	6829431	IFWJSMVQTHWVLY-UHFFFAOYSA-N	390.395	3.909	5	40	GHBB	
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c1C	10187957	LTQDWHFBUINUEZ-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1	6226091	CBUBESHFBZSZDA-UHFFFAOYSA-N	398.444	3.857	5	40	GHBB	
Cc1onc(-c2ccccc2)c1-c1nnc(COc2cccnc2[N+](=O)[O-])o1	12540692	OKWXSOXPQCUMSO-UHFFFAOYSA-N	379.332	3.582	5	40	GHBB	
COc1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC	59386055	HJSATRFLNIAGDO-UHFFFAOYSA-N	378.812	3.628	5	40	GHBB	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	8161164	CKIUZCFVRKTBEK-RHSMWYFYSA-N	386.404	3.559	5	40	GHBB	
O=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1	17058753	LWSNWZCXWXXUDO-SDQBBNPISA-N	395.190	3.941	5	40	GHBB	
O=C(Nc1cccc2ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4896888	XRSSMQTYRQCCMG-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	30867883	CVCMCPNTOAXJQG-LJQANCHMSA-N	392.477	3.810	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187929	UYGFERKHCKNYOC-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(Nc1nnc(CCSc2ccccc2)o1)c1ccc([N+](=O)[O-])s1	10690428	UEMVFJQJXHSCCS-UHFFFAOYSA-N	376.419	3.626	5	40	GHBB	
O=C1NC(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1	59514581	WXIQGPQRWSVFHU-VGOFMYFVSA-N	387.329	3.619	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl	20410752	NYSQAUIBJWFIIX-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
CN1C[C@H](c2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565044	HLOGMWCJAAFGQF-PUECVXPYSA-N	392.242	3.515	5	40	GHBB	
COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	3229161	LWLLOHXZDKMEFS-ZDUSSCGKSA-N	394.383	3.941	5	40	GHBB	
Cc1sc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1	40130882	XOPQRBFTGDZTHT-UHFFFAOYSA-N	387.392	3.571	5	40	GHBB	
CCc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1	2921922	AWEMMHFHLYZBPG-JOCHJYFZSA-N	380.468	3.808	5	40	GHBB	
COc1ccc(-c2noc(-c3ccc(NC[C@H]4CCCO4)c([N+](=O)[O-])c3)n2)cc1	8586883	KDPPIZYZRFNVET-MRXNPFEDSA-N	396.403	3.911	5	40	GHBB	
CC(=O)N[C@@H](C)c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1	24421371	GNDFRARSIDVEBP-NSHDSACASA-N	376.796	3.707	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)nc21	2239522	YFZWXDVOWJDJMO-UHFFFAOYSA-N	379.419	3.905	5	40	GHBB	
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc1-2	409057843	WTYPASORKKFXIN-UHFFFAOYSA-N	397.412	3.892	5	40	GHBB	
CC(C)Cn1c(-c2ccccc2F)nc2c(c(=O)c3ccccc3n2C)c1=O	5347076	JZPOKXDXFHKASC-UHFFFAOYSA-N	377.419	3.711	5	40	GHBB	
COc1cccc(-c2nc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cs2)c1	7122546	BDOYFWDXCNDYFA-UHFFFAOYSA-N	385.401	3.666	5	40	GHBB	
CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1	16109952	CRTNUVJOGIKCFN-MRXNPFEDSA-N	389.477	3.864	5	40	GHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c1	194639086	NHDFCJHHVFIQOY-UHFFFAOYSA-N	383.429	3.523	5	40	GHBB	
CN(C)CCOc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1	47673028	CTDBWURJOQUJGH-UHFFFAOYSA-N	399.472	3.680	5	40	GHBB	
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2	12562439	IZIJPHPYJFZAHV-OLZOCXBDSA-N	385.420	3.756	5	40	GHBB	
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1	8371365	WKBGYTZDJJRFPW-KRWDZBQOSA-N	390.823	3.746	5	40	GHBB	
Cc1nn(-c2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c2c1=O	5325150	YSLQYDZFQCCIAP-UHFFFAOYSA-N	375.819	3.852	5	40	GHBB	
O=C(NCCOc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Cl	58014447	KYUYISNFDNZTTB-UHFFFAOYSA-N	399.628	3.820	5	40	GHBB	
Cc1ccc(SCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C	23745636	BNCDWFOIYWPNPX-UHFFFAOYSA-N	380.491	3.819	5	40	GHBB	
Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc2ccccc2c2ccccc12	12563951	KKEUWZDNHYUTFA-UHFFFAOYSA-N	381.457	3.814	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2c1cnn2Cc1ccccc1	24560218	RCNQGLYRBCJHPV-LJQANCHMSA-N	390.443	3.576	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(N2CCCCC2=O)cc1	25833848	XUISNSDQTMFWFL-OAHLLOKOSA-N	381.432	3.945	5	40	GHBB	
O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1[N+](=O)[O-]	5212788	GGHBWLPPRMHROY-UHFFFAOYSA-N	386.458	3.819	5	40	GHBB	
COc1ccccc1-c1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nn1	4356205	UNWGTYVXLASCNG-UHFFFAOYSA-N	396.428	3.791	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1	4071423	NZHFBHOHDARCEE-SNVBAGLBSA-N	395.209	3.772	5	40	GHBB	
COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccccc1[N+](=O)[O-])NC3=O	1085869	CKJKBVUDDCIBMC-MRXNPFEDSA-N	384.417	3.513	5	40	GHBB	
O=C(NC[C@H]1CCCO1)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	2273013	HEATYLXLGBCDIX-MRXNPFEDSA-N	377.400	3.719	5	40	GHBB	
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O	2362040	NUCWQZCRLJKSLG-UHFFFAOYSA-N	398.459	3.596	5	40	GHBB	
CC(C)(C)c1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1[N+](=O)[O-]	12638569	QNYPNHHAEIXUDK-UHFFFAOYSA-N	380.404	3.775	5	40	GHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1Cl	408568174	HVHOLRBHFAKIQS-QIEXRSSQSA-N	392.242	3.562	5	40	GHBB	
Cc1cc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C	15549087	RTNHQXKYNBWZBV-AWEZNQCLSA-N	386.408	3.751	5	40	GHBB	
COc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	3065984	LPULIIWVTCZFHV-FQEVSTJZSA-N	398.440	3.671	5	40	GHBB	
CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C	862346	HFYSXIRAXRPCSL-GOSISDBHSA-N	387.436	3.831	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cc(C(F)(F)F)ccc1Cl	3312654	QXPDYQPEHHLUCB-UHFFFAOYSA-N	392.673	3.656	5	40	GHBB	
COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1	5262961	MPGVVDLMFNXQFN-CYBMUJFWSA-N	398.444	3.908	5	40	GHBB	
COc1ccc(CN(C2CC2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	12994582	XPLCYRQWOHQHRA-UHFFFAOYSA-N	390.461	3.574	5	40	GHBB	
Cc1c(O[C@@H](C)C(=O)NCc2cccnc2)ccc2c1oc(=O)c1ccccc12	5245012	KTKSPVSMDAGXFU-HNNXBMFYSA-N	388.423	3.733	5	40	GHBB	
CCOc1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1	5499807	GLLXZSRATMJOBF-UHFFFAOYSA-N	381.417	3.610	5	40	GHBB	
O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329397	BOPJBZAGWPNNKH-UHFFFAOYSA-N	390.321	3.934	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(OCc3ccccc3F)cc2)nc1O	409335115	YVXLLDRXJDDMND-YFHOEESVSA-N	383.335	3.685	5	40	GHBB	
CC(C)NC(=O)c1ccc(N(C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1	32869495	DBDGGLPYPGPBDN-UHFFFAOYSA-N	391.855	3.902	5	40	GHBB	
COC(=O)c1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1	97165930	FDNQCRMAZMAYNV-UHFFFAOYSA-N	390.370	3.859	5	40	GHBB	
COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	3559305	CJWIJSBEYYFCSR-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
Cc1cccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1	7759337	ZRWBRLZTEBSJCK-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
COc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])c1	7834234	JWJFCKMNRSPMAI-AWEZNQCLSA-N	384.432	3.738	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1	25610869	ZTAZUVPCLOFGMW-UHFFFAOYSA-N	396.359	3.664	5	40	GHBB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	222799114	TXFQLNPRXBVWBI-RBUKOAKNSA-N	393.472	3.773	5	40	GHBB	
CN(C)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-]	12564470	YACGZOLNRLNBKM-UHFFFAOYSA-N	396.491	3.577	5	40	GHBB	
C[C@H](Sc1nc2cc(Cl)c[nH]c-2n1)C(=O)Nc1ccccc1[N+](=O)[O-]	5310082	WHYFRXZJPINWHF-QMMMGPOBSA-N	377.813	3.590	5	40	GHBB	
O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	4553110	IEAQZFLTIRXDPQ-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c(OC)c1	4174120	FXQGGLCGJAWQGO-UHFFFAOYSA-N	375.362	3.581	5	40	GHBB	
Cc1cc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)ccc1[N+](=O)[O-]	6415112	KAAWZCXZIQTCDS-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
CS(=O)(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	26710912	BFOWHHFHHAVBDN-UHFFFAOYSA-N	375.328	3.729	5	40	GHBB	
O=C(NCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1	24208041	VNGGOJXBYDOTDS-UHFFFAOYSA-N	377.706	3.702	5	40	GHBB	
Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)NCc1ccncc1	1395824	ZEIGZLIEHHJBBL-UHFFFAOYSA-N	379.803	3.628	5	40	GHBB	
COc1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1	4846656	HUFIDXAJKMIYID-UHFFFAOYSA-N	392.452	3.938	5	40	GHBB	
COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)N2CCCCC2)cc1	6865313	HFSANJYQBLWOHL-INIZCTEOSA-N	389.477	3.622	5	40	GHBB	
C[C@@H](c1ccc(F)cc1F)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2	84651682	VVCLKGMJTSQCFE-ZHZWEUQESA-N	383.372	3.749	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)c1	10646033	REVOSNKCHLYXRK-CYBMUJFWSA-N	375.860	3.950	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccccc1F)C1CC1	16420090	GGYAXABFSZXSED-HNNXBMFYSA-N	385.439	3.918	5	40	GHBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	8161258	RYJXMIHMCZICAC-LIRRHRJNSA-N	386.404	3.559	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F	8709977	LLTNLHWMKMXQPM-SNVBAGLBSA-N	389.362	3.872	5	40	GHBB	
Cc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1	9616216	HSXCWRXIYYKXHS-SNVBAGLBSA-N	384.219	3.861	5	40	GHBB	
CN(C)CCn1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1	89319381	RDDPUBJMZILHJO-UHFFFAOYSA-N	389.843	3.878	5	40	GHBB	
CN(Cc1c(F)cccc1Cl)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	48343174	CCVPXSRCLQWLMV-UHFFFAOYSA-N	375.791	3.735	5	40	GHBB	
O=C(c1c(F)cccc1F)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1	4120113	ASENXLNTKXPQRK-UHFFFAOYSA-N	377.372	3.618	5	40	GHBB	
Cc1cc(C)cc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c1	10187961	WVYBMVUQWKHRER-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CCOc1ccc2c(c1)s/c(=N/C(=O)c1cc(Cl)ccc1[N+](=O)[O-])n2C	100814215	WOCYEBXVCAZTIV-HTXNQAPBSA-N	391.836	3.941	5	40	GHBB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408760502	ZTBSHDZHUWXYMF-HQZQWKOLSA-N	386.407	3.819	5	40	GHBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2C[C@H]1C	7108062	FTYFZAABDLGBMN-VXGBXAGGSA-N	388.807	3.771	5	40	GHBB	
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1	218121786	GZZRFGVTQNIWMG-INIZCTEOSA-N	396.852	3.533	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(Br)c1N1CCN(Cc2ccccc2)CC1	575414950	BJHWCWGGNHFYBF-UHFFFAOYSA-N	390.281	3.988	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NC12CC3CC(CC(C3)C1)C2	6505848	ZUIIFKDFSZCXKM-SNAWJCMRSA-N	385.489	3.568	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCn1cnc2ccccc21	40068764	YNZFCZKVCGGSBI-HNNXBMFYSA-N	381.436	3.737	5	40	GHBB	
Fc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)CCC5)cc1	2446340	MMIDEIHRRUAHBB-UHFFFAOYSA-N	396.476	3.907	5	40	GHBB	
Cc1ccc(Cn2cccc/c2=N\C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1	103729335	JXUHAIQQVLHWHL-HIXSDJFHSA-N	386.411	3.975	5	40	GHBB	
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1OCC(F)(F)F	79093616	HUOUYAASDIWYEU-UHFFFAOYSA-N	389.717	3.514	5	40	GHBB	
COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1	408530625	PZAJNRZCDHRNJZ-UHFFFAOYSA-N	385.763	3.933	5	40	GHBB	
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Cl	32119222	YOHNEECODHYHIN-UHFFFAOYSA-N	393.896	3.677	5	40	GHBB	
CC(=O)n1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c2ccccc21	1735879	KPYYXVSIJVCYGO-YVLHZVERSA-N	375.340	3.554	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC	13000671	FBEZTTHIBHRNBE-UHFFFAOYSA-N	399.407	3.580	5	40	GHBB	
COc1ccc(OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c([N+](=O)[O-])c1	6510509	VGXOGOYWEHAYMO-UHFFFAOYSA-N	388.420	3.927	5	40	GHBB	
O=C(c1cc2ccccc2cc1OCc1cccc([N+](=O)[O-])c1)N1CCOCC1	6651202	CSCUGCDUAKZKHS-UHFFFAOYSA-N	392.411	3.799	5	40	GHBB	
C[C@@H]1CCc2c(sc3ncnc(NC[C@H](O)c4ccc([N+](=O)[O-])cc4)c23)C1	15207079	GKUKSFINLCZFRC-ABAIWWIYSA-N	384.461	3.870	5	40	GHBB	
C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2C1	7191680	LYFMSXTVUIQXBX-JTQLQIEISA-N	392.408	3.716	5	40	GHBB	
Cc1ccc([C@H]2CCC[C@H]2N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1	78931348	UKYGAMSHVJCFSE-IAGOWNOFSA-N	378.432	3.684	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@H](C)C2	5406384	LPJRNYYTSABNDR-LLVKDONJSA-N	390.823	3.900	5	40	GHBB	
CCC(=O)Oc1cn(C[C@H]2CCCO2)c2nc(CC)n3c4ccccc4nc3c12	13228227	UGYFRWTXQRSWBL-CQSZACIVSA-N	392.459	3.894	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1	24260341	PZBVLFUDKDNHLF-UHFFFAOYSA-N	382.395	3.711	5	40	GHBB	
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1	48375066	OUCMBUPJZKFTJZ-MRXNPFEDSA-N	391.427	3.989	5	40	GHBB	
CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1	13788117	OTEGYHPVGFRSLQ-UHFFFAOYSA-N	379.416	3.877	5	40	GHBB	
CCc1ccc(/C=C/c2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-]	6510287	DHBLXNMIPWYEOH-FNORWQNLSA-N	385.401	3.632	5	40	GHBB	
O=c1c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CCCCC1	6670453	WHJZJXDBIWJOQR-UHFFFAOYSA-N	379.416	3.625	5	40	GHBB	
O=C1c2ccccc2O[C@@H](c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	6719590	ARAYCDPOKGBPRQ-FQEVSTJZSA-N	388.379	3.898	5	40	GHBB	
Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cccc1[N+](=O)[O-]	9190339	RCXRQNYLDKYLFN-UHFFFAOYSA-N	388.855	3.561	5	40	GHBB	
CC(C)(CNC(=O)OC(C)(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	72288948	PCGVMSQKZUSZOV-UHFFFAOYSA-N	386.836	3.673	5	40	GHBB	
Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	408573630	TZDQCEDXZYQBOM-KRWDZBQOSA-N	399.432	3.902	5	40	GHBB	
Cc1cc2cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)[nH]c2cc1C	4032763	QGQSADMZDNSARI-UHFFFAOYSA-N	399.834	3.679	5	40	GHBB	
O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1O	8014951	NCPKFJILJNMSIF-UHFFFAOYSA-N	378.797	3.561	5	40	GHBB	
CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccccc2[N+](=O)[O-])cc1Cl	6655217	LVGRSPQBTBESHV-UHFFFAOYSA-N	392.795	3.962	5	40	GHBB	
COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	20036609	VNHZAYFMCIINEI-GOSISDBHSA-N	378.450	3.669	5	40	GHBB	
CCN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1	5204041	ZFAMEJFHOOZAHI-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCCCC2)cc1	7257670	FCBLBPXTMOFALQ-UHFFFAOYSA-N	396.491	3.577	5	40	GHBB	
CN(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	72295879	VHLOMDKNWKUCMP-LSDHHAIUSA-N	377.828	3.721	5	40	GHBB	
O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1	26606897	DSFFYGSCQMKMJM-UHFFFAOYSA-N	393.365	3.572	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F	16695711	QYURXZZJNIILIQ-CYBMUJFWSA-N	399.369	3.772	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCCC1	4895820	SEQVBTAVTPXHBZ-UHFFFAOYSA-N	375.812	3.866	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1	7890850	NMOUZNDMIWIEAG-AWEZNQCLSA-N	397.456	3.990	5	40	GHBB	
Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccc([N+](=O)[O-])c2)cc1	408562243	OICKAWPECRKOEO-UHFFFAOYSA-N	393.399	3.773	5	40	GHBB	
COc1ccccc1-c1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)on1	12590156	MZXOXYFYWNKOFP-UHFFFAOYSA-N	394.431	3.581	5	40	GHBB	
Cc1ccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1	3660865	VSWPVMXWNTUUAP-UHFFFAOYSA-N	392.327	3.588	5	40	GHBB	
O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1	6549993	BBNVUFWRRJIPGU-UHFFFAOYSA-N	395.444	3.784	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CSCc3nc(-c4ccccc4)no3)c1)OCOC2	24760993	KBRHOSFBSURBMJ-UHFFFAOYSA-N	385.401	3.945	5	40	GHBB	
Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	5601928	NGEAPFAJMJSJIG-UHFFFAOYSA-N	395.746	3.650	5	40	GHBB	
CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1	408732523	WGFYOTQEDFROCP-WQRHYEAKSA-N	394.383	3.752	5	40	GHBB	
Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)nc12	408626821	IRHDHACNJRKDKC-UHFFFAOYSA-N	386.458	3.948	5	40	GHBB	
Cc1ccccc1Cn1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1=O	5269222	FLORFGCVBYRIBR-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=C(Nc1ccccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	5270695	VDQDBPZDRBXGJB-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1ccncc1	24829323	XIKMEDACSUSZFC-HXUWFJFHSA-N	383.451	3.913	5	40	GHBB	
O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(Cl)cc1	409171454	BPLKXSQWEXMPPY-RIYZIHGNSA-N	378.171	3.999	5	40	GHBB	
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1CCCc1ccccc1	409139617	ONFSVMLFENWRKG-FOWTUZBSSA-N	384.413	3.970	5	40	GHBB	
CCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1	14029965	RLDOIQVAPJHVIS-UHFFFAOYSA-N	389.433	3.606	5	40	GHBB	
COc1cc(CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(OC)c1OC	16195245	KLQUQLOWAYEBCY-UHFFFAOYSA-N	375.406	3.789	5	40	GHBB	
COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])cc3C(F)F)n2)cc1	1162459885	HNLNFQWYSUOQQG-UHFFFAOYSA-N	375.335	3.938	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	2501372	YLWKYWCBXGEOFS-KRWDZBQOSA-N	378.475	3.648	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)c2csc3c2CC[C@@H](C)C3)cc1[N+](=O)[O-]	2642900	KRRHSORJUCDCGA-LLVKDONJSA-N	388.445	3.885	5	40	GHBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)-c1ccccc1CC2	32999795	AWXSGCGLRUGCRE-GOSISDBHSA-N	394.452	3.885	5	40	GHBB	
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	3310951	BLUCGIJGLBOLPD-UHFFFAOYSA-N	387.395	3.590	5	40	GHBB	
CSc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	3499699	HXCMAMWOSACDPN-UHFFFAOYSA-N	380.809	3.766	5	40	GHBB	
Cc1ccc(C)c([C@@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1	18014183	XFPUXZAFXYVZOH-OAHLLOKOSA-N	397.431	3.777	5	40	GHBB	
CCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	408628886	XOSRDXRGARNAFF-UHFFFAOYSA-N	398.488	3.884	5	40	GHBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)o1	8175629	WVYYSEBCPXKGRY-UHFFFAOYSA-N	381.388	3.609	5	40	GHBB	
CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	40061678	FSGSGMOWIGGSCD-GFCCVEGCSA-N	393.417	3.663	5	40	GHBB	
COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl	224970391	HTYIUJIUUPHDPY-UHFFFAOYSA-N	391.232	3.735	5	40	GHBB	
CCOc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1	2974603	LLEYTZYGEMCQIX-QFIPXVFZSA-N	396.467	3.644	5	40	GHBB	
CC(C)CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3132198	IQYQIGGWQPVHGL-UHFFFAOYSA-N	384.344	3.917	5	40	GHBB	
Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1	4996689	ACEPMKAJBMIHHR-CYBMUJFWSA-N	397.460	3.818	5	40	GHBB	
O=C(NCCCN1CCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	10450018	CAXISCPHVCYMHE-HEHNFIMWSA-N	379.460	3.738	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(-c3ccco3)nc21	2360148	QVSWZQOKFJUGIT-UHFFFAOYSA-N	397.434	3.751	5	40	GHBB	
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)c([N+](=O)[O-])c1	32118742	HNTJKRQCSKZKQF-UHFFFAOYSA-N	393.896	3.677	5	40	GHBB	
CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCCOCC)c(C)nc21	2418394	WAQHYGGMLDDMQK-UHFFFAOYSA-N	393.491	3.830	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)c1	2658217	BALPYWOFJHJZIR-UHFFFAOYSA-N	383.433	3.744	5	40	GHBB	
CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	1064013	KUFOQEZFUKSOJF-SFHVURJKSA-N	387.436	3.879	5	40	GHBB	
O=C(Nc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	1857724	NROOCDFMARZNHJ-UHFFFAOYSA-N	398.396	3.615	5	40	GHBB	
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1F	8020172	AXILYTUDGMOZEP-ZDUSSCGKSA-N	389.402	3.967	5	40	GHBB	
COC(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	12925651	OLQYFXXQVRDNPF-HNNXBMFYSA-N	377.784	3.674	5	40	GHBB	
COc1cc(NC(=O)COC(=O)c2cccc3ccccc23)c(C)cc1[N+](=O)[O-]	4836685	UEKLDVRFQYKPGE-UHFFFAOYSA-N	394.383	3.861	5	40	GHBB	
Cc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1[N+](=O)[O-]	6421568	NFWMVILEVXVDPE-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	8902338	PMOTZPDMPDQZFX-UHFFFAOYSA-N	383.448	3.981	5	40	GHBB	
O=C(Nc1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	845989	KZSVPNYWLISPRP-UHFFFAOYSA-N	389.161	3.716	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1	855145	ZMKGYUPQXKGEAV-INIZCTEOSA-N	398.893	3.993	5	40	GHBB	
O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1[N+](=O)[O-]	64457847	MUBHPFYURVZHCE-UHFFFAOYSA-N	382.445	3.603	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(Br)cc1	5113381	TXPGYBVUVKCDJY-XCVCLJGOSA-N	390.189	3.797	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3F)o2)c([N+](=O)[O-])c1	409384994	HDXUUEDJYLKQIH-UHFFFAOYSA-N	392.324	3.755	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl	8902367	VMJRTUSRFZXIQW-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	1081655	RZQNCXHKPPGNDX-UHFFFAOYSA-N	389.411	3.820	5	40	GHBB	biogenic
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1ccncc1	24829326	XIKMEDACSUSZFC-FQEVSTJZSA-N	383.451	3.913	5	40	GHBB	
CNc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-]	10545539	MXMZDEFOBKHQCH-AWEZNQCLSA-N	379.420	3.533	5	40	GHBB	
CCOc1ccc(N[C@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	2318164	VJTGATBGGUBRLE-INIZCTEOSA-N	387.417	3.627	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccc(F)cc1	12791023	BPAATXUCQAAZLI-GOSISDBHSA-N	399.378	3.794	5	40	GHBB	
CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5783871	ARZAUDBUPDNGMA-VIFPVBQESA-N	395.824	3.549	5	40	GHBB	
Cc1cccc(N2CCN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)CC2)c1C	408572863	BGZQOQMUKKIOOO-UHFFFAOYSA-N	399.516	3.794	5	40	GHBB	
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl	223649118	ONYYBBUZJKBXNM-UHFFFAOYSA-N	377.205	3.711	5	40	GHBB	
COc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1	5319314	BDRZUFQMICBGDL-UHFFFAOYSA-N	396.852	3.544	5	40	GHBB	
CN(C)c1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1	5174160	AYXOQXGUVHPODV-UHFFFAOYSA-N	389.355	3.698	5	40	GHBB	
COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CSC3)cc1	4077211	QWMDAVBJOOCQTI-UHFFFAOYSA-N	396.428	3.788	5	40	GHBB	
COc1ccccc1-c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1	24840692	ASZVJXMUGZPLJV-UHFFFAOYSA-N	394.431	3.581	5	40	GHBB	
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(C(=O)O)c1O	20142794	ADWXIOXUVBTUKM-UHFFFAOYSA-N	399.403	3.550	5	40	GHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1	408648773	ZNKWIVXCQADXFN-UHFFFAOYSA-N	399.186	3.706	5	40	GHBB	
Cc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1[N+](=O)[O-]	10914223	PMDAYHOEUSPOPL-UHFFFAOYSA-N	377.404	3.699	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccco2)cc1[N+](=O)[O-]	12808744	DRQXDHCJSOBTJZ-UHFFFAOYSA-N	393.399	3.733	5	40	GHBB	
CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1	6419912	SDXHBDGMJZCBKD-NTEUORMPSA-N	399.428	3.613	5	40	GHBB	
CN(C)c1ccc2c(c1)N(O)CC(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)=[N+]2[O-]	36636057	SGAQDUIVCHFUBK-UHFFFAOYSA-N	394.387	3.761	5	40	GHBB	
Cn1ccnc1COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	42735106	XLGOMERVIOXGEH-UHFFFAOYSA-N	386.795	3.813	5	40	GHBB	
CC(=O)c1cc(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)oc1C	12897227	LYEDDCVLGIZUKK-UHFFFAOYSA-N	378.812	3.943	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	12989601	UWIUMSMADLDYAR-YOCVDRLZSA-N	380.400	3.743	5	40	GHBB	
O=C(CNc1ccccc1[N+](=O)[O-])N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	65867968	MPHWHABTUJJLTR-UHFFFAOYSA-N	394.406	3.943	5	40	GHBB	
O=C(NC[C@H]1CCCO1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23	6624329	ORVPILFMZWKZNY-CQSZACIVSA-N	397.434	3.501	5	40	GHBB	biogenic
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)Cc1ccco1	8915747	MDRQNDKPAOHPFI-UHFFFAOYSA-N	384.363	3.935	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-]	408628900	XTQZVCPNDZYWBA-UHFFFAOYSA-N	389.433	3.517	5	40	GHBB	
Cc1noc(C(C)C)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	12847858	KYFZNBKHKOOXSO-NSHDSACASA-N	386.364	3.983	5	40	GHBB	
CN(Cc1ccccc1Br)Cc1cc([N+](=O)[O-])cc2c1OCOC2	12921429	PGKIYDBOCIWTHI-UHFFFAOYSA-N	393.237	3.856	5	40	GHBB	
COc1cc(C)c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1OC	5616679	IVJNZVBCYNRZSU-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
Cc1cc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)ccc1[N+](=O)[O-]	227142963	SMKINBFRAYQPAH-UHFFFAOYSA-N	391.416	3.693	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2Cl)NC(=O)N1	5523521	GKINGFZBBYMCPF-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
COc1ccc(C(=O)N(C)CCCOc2cccc(Cl)c2)cc1[N+](=O)[O-]	55871477	WKPXCGREJIRYGS-UHFFFAOYSA-N	378.812	3.798	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CN3CCn4cccc4[C@@H]3c3ccccc3)c1)OCOC2	48332332	SOIWIYSJGVPYMF-NRFANRHFSA-N	391.427	3.868	5	40	GHBB	
CC(C)Cn1c(-c2ccc(F)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O	5346502	UBOHFPBPQHQNMZ-UHFFFAOYSA-N	377.419	3.711	5	40	GHBB	
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	7423032	FVXQFCXKVXHDJQ-UHFFFAOYSA-N	398.824	3.519	5	40	GHBB	
O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc([N+](=O)[O-])c[nH]1	56366203	GJCFEAKPCUIJTR-UHFFFAOYSA-N	398.246	3.708	5	40	GHBB	
C[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C1=O	3305328	GRBCEOVZKBVVEV-XMMPIXPASA-N	398.418	3.913	5	40	GHBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1	8392345	OQBDSJROKIMZSO-LJQANCHMSA-N	378.384	3.851	5	40	GHBB	
C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])C1	6124546	OUAASKOQIQKPAO-CQSZACIVSA-N	397.431	3.855	5	40	GHBB	
CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225020436	MLBPSLYMVPXKGW-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccco1	15409139	MAAVSYUPEDBPCN-UHFFFAOYSA-N	387.421	3.505	5	40	GHBB	
COc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c([N+](=O)[O-])c1	4387966	RLIRGZNHUWSWNV-LCYFTJDESA-N	377.194	3.978	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2ncn(CN(C3CC3)[C@@H]3CCc4ccccc43)n2)cc1	40155481	KRUVXLKYKRBRNB-HXUWFJFHSA-N	375.432	3.963	5	40	GHBB	
O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12	2439415	RMGNTXFQOHBPMZ-UHFFFAOYSA-N	388.354	3.950	5	40	GHBB	
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12	4032921	KAVUWBKUSDXQKR-UHFFFAOYSA-N	399.834	3.679	5	40	GHBB	
Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1	4739316	VEHKCIFZMQETIY-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
COC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1	5510684	LUKXFQICSVQYHJ-QGZVFWFLSA-N	376.368	3.616	5	40	GHBB	
C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	7976482	JKRSNAVZEGXGAL-VIFPVBQESA-N	375.435	3.561	5	40	GHBB	
CC(=O)Nc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cccs1	13551112	CLZRAWPFKZEECY-UHFFFAOYSA-N	388.430	3.991	5	40	GHBB	
Cc1ccc(-c2nc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cs2)cc1	15832506	WPWWLXMMULYCFI-UHFFFAOYSA-N	383.429	3.722	5	40	GHBB	
C[C@H](OC(=O)[C@@H](C)Oc1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	32829629	RVKBTHNYLSJWNW-QWHCGFSZSA-N	383.360	3.717	5	40	GHBB	
NC(=O)c1ccc(CN(Cc2ccccc2C(F)(F)F)C2CC2)c([N+](=O)[O-])c1	53109278	LDMGIGSXGOLQQW-UHFFFAOYSA-N	393.365	3.877	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(Br)cc1	6549311	UDXMHTTYYMBPLU-SNVBAGLBSA-N	394.225	3.805	5	40	GHBB	
COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1[N+](=O)[O-]	20142511	DEHQVYCJFQYSKK-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
COc1ccc(OCCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	10291239	GINDEUSJFUAIGC-UHFFFAOYSA-N	382.372	3.672	5	40	GHBB	
Cc1cc(C(=O)OCCOc2ccc(Br)cc2)ccc1[N+](=O)[O-]	3300142	NYMNZJRGNZYXCF-UHFFFAOYSA-N	380.194	3.902	5	40	GHBB	
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1COc2ccccc2O1	29738853	GIJXTGWMWKPHQQ-MRXNPFEDSA-N	384.417	3.528	5	40	GHBB	
CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1	224734604	HUCACUVUIOHPSE-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc([N+](=O)[O-])c4)C3)n2)o1	1364767	DPEMNERXBCCDGD-AWEZNQCLSA-N	382.376	3.566	5	40	GHBB	
CCOC(=O)c1c(NC(C)=O)sc(C(C)=O)c1-c1ccc([N+](=O)[O-])cc1	711988	UDAJEOOYKDYILC-UHFFFAOYSA-N	376.390	3.661	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	849416	OBKQGHFOGXCBFV-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(CSc1nc2ncc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1	18192332	JTDUJCBLKYLXGY-UHFFFAOYSA-N	393.222	3.604	5	40	GHBB	
CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	20410856	HFHVMROGPNFWQZ-HNNXBMFYSA-N	399.447	3.861	5	40	GHBB	
CCc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	853616	IFHBYCTYORFWSE-UHFFFAOYSA-N	384.417	3.938	5	40	GHBB	
CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	11707658	IZXDSHLYFFKNAJ-KBPBESRZSA-N	387.436	3.680	5	40	GHBB	
CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	58171892	YZJNGOPCGWMEAH-UHFFFAOYSA-N	393.779	3.695	5	40	GHBB	
CCNc1cc(C(=O)c2ccccc2O)cn2c(=O)c3ccc(Cl)cc3nc12	3426172	KIAWYLGBPFFHHS-UHFFFAOYSA-N	393.830	3.870	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21)c1ccccc1	409372625	NTLQBEFVIVWXLR-IMAQQZIHSA-N	386.407	3.990	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	4653251	WICWWQJORHNLFZ-ZDUSSCGKSA-N	383.187	3.847	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC	5549329	WGKAZPGFWHQQQZ-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](Cc1cccc(O)c1)c1ccccc1	84522577	HXPXMHNTKMOVNJ-HXUWFJFHSA-N	376.412	3.943	5	40	GHBB	
Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1	217891747	NXTROERHVVFYGD-DHZHZOJOSA-N	378.388	3.625	5	40	GHBB	
O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccc([N+](=O)[O-])c1	40081786	VSEICDNODRHUEN-IBGZPJMESA-N	376.416	3.647	5	40	GHBB	
O=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl	5749618	DBLBGYFZSOEVDS-PDQODMTBSA-N	392.839	3.648	5	40	GHBB	
O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccc(SC(F)F)cc1	2616444	DCDKIUDYMARCBQ-UHFFFAOYSA-N	396.371	3.634	5	40	GHBB	
O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1	2735000	UHNGKVBPBZXFOA-UHFFFAOYSA-N	379.382	3.931	5	40	GHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1	24202983	GROSBFRLIKTOCE-UHFFFAOYSA-N	375.450	3.632	5	40	GHBB	
CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1cccc([N+](=O)[O-])c1	575444543	XPLXVSSFSJVCGP-KRWDZBQOSA-N	395.444	3.956	5	40	GHBB	
CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224768820	CIBUMNYYPXGLOG-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	2629987	KSSBTQQFMJBXKU-CQSZACIVSA-N	385.420	3.625	5	40	GHBB	
CNc1ccc(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1[N+](=O)[O-]	26939270	IEMNPUAKRQQNTQ-CYBMUJFWSA-N	387.436	3.923	5	40	GHBB	
Cc1ccc(C)c(Cn2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2=O)c1	7574267	LJUIOQIZTGBBJN-UHFFFAOYSA-N	391.427	3.982	5	40	GHBB	
COc1ccc(OC)c(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1	725775	LHCLKCKXBJJNRD-ZSOIEALJSA-N	388.763	3.610	5	40	GHBB	
O=C(c1cc2c(Cl)cccc2[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	12526977	BDUYDVFJMJFHRU-UHFFFAOYSA-N	384.823	3.692	5	40	GHBB	
O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(SC(F)F)cc1	3286191	ZWIVNQVUEQIUGJ-UHFFFAOYSA-N	396.371	3.634	5	40	GHBB	
CCOc1ccc(C(=O)/N=c2/[nH]c3ccc(Cl)cc3s2)cc1[N+](=O)[O-]	13553131	HRUUOPNNKKCYJD-UHFFFAOYSA-N	377.809	3.931	5	40	GHBB	
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc2c(c1)OCO2	6660865	FAYBIDGMEIQNKJ-UHFFFAOYSA-N	389.363	3.692	5	40	GHBB	
C[C@@H](OC(=O)c1ccc2nccnc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	7179993	KYHIPOPICZWTHK-LLVKDONJSA-N	391.343	3.506	5	40	GHBB	
CN(Cc1ccccc1F)C(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	95977368	PJJHZPXMJCVDSX-UHFFFAOYSA-N	386.301	3.790	5	40	GHBB	
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	222799317	JLCSQRWCZVYNHI-MOPGFXCFSA-N	393.472	3.773	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(CO)c3ccccc32)o1	226768999	YVUFLUYAZJORGK-UHFFFAOYSA-N	392.367	3.999	5	40	GHBB	
Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4900963	DSKDTYJXLANWOK-UHFFFAOYSA-N	397.475	3.754	5	40	GHBB	
Cc1onc(-c2ccccc2Cl)c1C(=O)OCCn1c([N+](=O)[O-])cnc1C	1316358	OZRAPYAAZWASAA-UHFFFAOYSA-N	390.783	3.574	5	40	GHBB	
CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	12601801	WSZUNOMLKCYSEX-MRXNPFEDSA-N	380.404	3.847	5	40	GHBB	
COc1cc(CCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1OC	3362817	YEJOTQROJXRDMM-UHFFFAOYSA-N	388.420	3.809	5	40	GHBB	
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	14077236	AENCHXPTBZMPAT-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	6471071	MBHDDPCSKAEFIA-MRVPVSSYSA-N	384.722	3.710	5	40	GHBB	
C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C	5745960	CMBWFHWFLDKKQO-VXGBXAGGSA-N	388.807	3.771	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)CCC1CCCCC1	7701775	ABERBJLQBHKTCN-CYBMUJFWSA-N	378.425	3.834	5	40	GHBB	
Cc1ccc([C@@H]2CCC[C@@H]2N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1	78931327	UKYGAMSHVJCFSE-IRXDYDNUSA-N	378.432	3.684	5	40	GHBB	
CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	131290398	XCBRQTYXEMMVOG-UHFFFAOYSA-N	387.461	3.605	5	40	GHBB	
Cc1c(-c2cc(C(F)(F)C(F)F)[nH]n2)c(O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	6025113	GHIIFYKZEOUXEQ-UHFFFAOYSA-N	378.238	3.572	5	40	GHBB	
O=[N+]([O-])c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1	7365919	QZWGHGKHQVMEFI-UHFFFAOYSA-N	379.756	3.930	5	40	GHBB	
O=C(NC[C@@H](O)c1ccc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1	31309838	IZTBETSHMDUQRG-CQSZACIVSA-N	378.356	3.551	5	40	GHBB	
O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	24931224	ZQWZQWJIFSQXAB-IBGZPJMESA-N	376.416	3.647	5	40	GHBB	
O=C(N[C@H]1CCOc2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	25580673	DZAXSKZEEBQBLH-KRWDZBQOSA-N	381.432	3.839	5	40	GHBB	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1	1934926	MFCXYEWZCZYBAB-MRVPVSSYSA-N	393.852	3.786	5	40	GHBB	
Cc1ccc(CSCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	7187157	LEIZOOXNNQTYDZ-UHFFFAOYSA-N	380.491	3.652	5	40	GHBB	
CN(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1[N+](=O)[O-]	9931961	GYROJLICOVRYLS-UHFFFAOYSA-N	396.491	3.577	5	40	GHBB	
Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1	4996688	ACEPMKAJBMIHHR-ZDUSSCGKSA-N	397.460	3.818	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(Cl)c(C(F)(F)F)c1	3312504	MVZARSRUJFMPNK-UHFFFAOYSA-N	392.673	3.656	5	40	GHBB	
Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1[N+](=O)[O-]	12863114	LYFWMRYXGURQOY-UHFFFAOYSA-N	376.796	3.899	5	40	GHBB	
Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-]	24932579	FLOHTTYGHDUUAU-LJQANCHMSA-N	390.443	3.955	5	40	GHBB	
CC[C@@H]1c2ccccc2CCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	609621457	MIRNBHRJTTZJRH-LJQANCHMSA-N	391.431	3.634	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	793707	XSLOHLKYNKARMC-GOSISDBHSA-N	381.388	3.703	5	40	GHBB	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1	10263788	KJNMWZKQGFIWJB-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
COc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c(OC)c1OC	21708013	XBMFBPCIGXMQND-UHFFFAOYSA-N	394.811	3.546	5	40	GHBB	
Cn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(F)cc(F)c21	100909362	LFHSSNQBOJYYAY-CYVLTUHYSA-N	383.763	3.821	5	40	GHBB	
C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1	32777263	XZVMTQVXBDHNLE-ZDUSSCGKSA-N	385.445	3.966	5	40	GHBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnnn1Cc1cccs1	21674052	OYZTUWFTIXEOLU-UHFFFAOYSA-N	387.368	3.861	5	40	GHBB	
CNC(=O)c1ccc(Nc2cc(F)c(N3CCCC3)c(F)c2)c([N+](=O)[O-])c1	53574672	WAIWNDYPXUAQMR-UHFFFAOYSA-N	376.363	3.576	5	40	GHBB	
CCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	409367836	MCEQNNDCVHYFOX-UHFFFAOYSA-N	387.388	3.822	5	40	GHBB	
CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225080738	OXLDRYRFHAFXDU-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1	7882036	BJYUDHJOCNKTMJ-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc([N+](=O)[O-])c1	6263736	NGNNQWFIDXYJBW-HNNXBMFYSA-N	376.438	3.870	5	40	GHBB	
O=C(N1CCc2cc(Br)ccc21)C1(c2ccc([N+](=O)[O-])cc2)CC1	225989651	RIKUXTSRPLVDBG-UHFFFAOYSA-N	387.233	3.978	5	40	GHBB	
C[C@H](NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1	40068809	AVPKXEBWQQTWOG-LSDHHAIUSA-N	394.435	3.639	5	40	GHBB	
Cc1cccc(Nc2nc(Nc3cccc(C)n3)c([N+](=O)[O-])cc2[N+](=O)[O-])n1	6443609	ISDJZWLQRSVZMP-UHFFFAOYSA-N	381.352	3.792	5	40	GHBB	
Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])c1C	95468172	YRCCYCUPVXMGQT-UHFFFAOYSA-N	393.447	3.560	5	40	GHBB	
NC(=O)c1cn(C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc12	226767086	OBTDQTBAWNWNDE-UHFFFAOYSA-N	375.340	3.597	5	40	GHBB	
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1	17080292	BHDVCUYEXSNZJP-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
CC(=O)N1N=C(c2cc(Cl)nc(Cl)c2)O[C@@H]1c1ccc([N+](=O)[O-])cc1	4277416	YWJOELAHIKLXJK-OAHLLOKOSA-N	381.175	3.536	5	40	GHBB	
COc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2CCCO)cc1	10187301	BFZUBVIHTDVLBU-VXPUYCOJSA-N	385.445	3.748	5	40	GHBB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	32994615	QTFAIHAMJXBMSE-NSHDSACASA-N	392.795	3.734	5	40	GHBB	
Cc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	1807606	BFQWMGYYXBDSBM-UHFFFAOYSA-N	395.415	3.698	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccccc1	6282584	QQYNLQIQVCRGDN-UHFFFAOYSA-N	391.383	3.865	5	40	GHBB	
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	12804201	MDNKDZRWBFMWJB-UHFFFAOYSA-N	389.216	3.557	5	40	GHBB	
COc1ccc2c(=O)c3c(=O)n(-c4ccccc4)c(-c4ccco4)nc3oc2c1	2342476	NZBWHBRNKQNLMD-UHFFFAOYSA-N	386.363	3.761	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2	12989166	IHZLUIIKLIKSGA-UHFFFAOYSA-N	392.795	3.599	5	40	GHBB	
C[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1	6652141	KGPWWYGCGMPTJN-HNNXBMFYSA-N	389.477	3.595	5	40	GHBB	
Cc1nn([C@H](C)C(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-]	8983962	KMRQZUCJFWFTRG-SECBINFHSA-N	385.193	3.509	5	40	GHBB	
CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1	95447958	QFKRMSMCLPMFRT-UHFFFAOYSA-N	386.429	3.972	5	40	GHBB	
Cc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1C	409123916	FUWVBACDCIUTAG-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
Cc1ccccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	3197029	FOOSGWRNUXKCRP-UHFFFAOYSA-N	386.363	3.935	5	40	GHBB	
COc1ccc(-c2cc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1	57614932	GLEYSUFZFYMNBG-UHFFFAOYSA-N	394.431	3.581	5	40	GHBB	
CCN(C(=O)COC(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	3319365	WDHLROUZSKAIPF-UHFFFAOYSA-N	378.384	3.958	5	40	GHBB	
O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1	7778071	WBWFILKDKCXHIM-UHFFFAOYSA-N	390.355	3.816	5	40	GHBB	
C[C@H]1CCCCN1Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1	32930259	NNFAXAGSORMCLW-KRWDZBQOSA-N	397.475	3.664	5	40	GHBB	
CCN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225024614	LDWINNCSWBKUHX-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
C[N+]1(CCOC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)CCC[C@H](c2ccccn2)C1	5394116	IZDFKXJEEICTNW-UKOYZGBSSA-N	387.612	3.831	5	40	GHBB	biogenic,in-vitro
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C1	40090852	BMMRUIRYNUILPN-IYBDPMFKSA-N	395.459	3.894	5	40	GHBB	
Cc1nn(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-]	8542181	YRITVUGDQNOROI-GOSISDBHSA-N	392.415	3.575	5	40	GHBB	
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	9699809	ISBKRPOHHPVAGW-LLVKDONJSA-N	393.321	3.605	5	40	GHBB	
COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])cc1OC	1072400	HLVXFSYPILGXPR-NTUHNPAUSA-N	388.763	3.610	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1Cl	57315543	HGCQVEMMANWOSF-RYUDHWBXSA-N	377.828	3.935	5	40	GHBB	
COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl	8488714	ZFKRIZJUYNSYIL-JTQLQIEISA-N	379.800	3.705	5	40	GHBB	
O=C(c1cccc2ccccc12)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	29527541	YXEVVEUXXSITSX-UHFFFAOYSA-N	379.391	3.850	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)OCCOc2ccc(Cl)cc2)cc1OC	7996913	SGHXONCBPZHNBJ-UHFFFAOYSA-N	395.795	3.891	5	40	GHBB	
COc1cc2c(cc1OC)-c1nnc(-c3ccccc3[N+](=O)[O-])n1C(C)(C)C2	1299928	JVQZMBPFDMBRRV-UHFFFAOYSA-N	380.404	3.829	5	40	GHBB	
O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F	3270986	OPGFGXJLEPIUIY-JXMROGBWSA-N	394.305	3.809	5	40	GHBB	
Cc1nc(Cc2nnc(SCCOc3ccccc3[N+](=O)[O-])o2)cs1	48356462	CNDFXJNBHKILLQ-UHFFFAOYSA-N	378.435	3.505	5	40	GHBB	
C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3	5234565	WXYQBDUESZGSKL-SYSDIAMWSA-N	398.912	3.987	5	40	GHBB	
C[C@@H]1CCCCN1Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	32930254	DBIJJPXPURXJCN-QGZVFWFLSA-N	381.476	3.828	5	40	GHBB	
CCOc1ccc2nc3c(cc2c1[N+](=O)[O-])CN(Cc1ccccc1)CCO3	57719007	XCHPYKUJHFHEQB-UHFFFAOYSA-N	379.416	3.936	5	40	GHBB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	12690081	GTMNTSZVRMQZQC-AZUAARDMSA-N	397.500	3.830	5	40	GHBB	
COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccco1	16806376	LSGNHQDQGQYAKM-UHFFFAOYSA-N	393.292	3.566	5	40	GHBB	
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611815	ZPDPVHOCOZGDPH-FPYGCLRLSA-N	387.823	3.737	5	40	GHBB	
COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O	409145916	SMHYHVQIBSYMAJ-MHWRWJLKSA-N	388.401	3.846	5	40	GHBB	
O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)[C@H]1COc2ccccc2O1	61992271	QTSDVQFXHQQDIN-CYBMUJFWSA-N	389.414	3.558	5	40	GHBB	
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@H](C)C3)c(O)n2n1	34694746	ZEIJEQYZXPMRKI-XHDPSFHLSA-N	387.465	3.534	5	40	GHBB	
CC1CCN(c2ccc(C(=O)OCc3nccn3C(F)F)cc2[N+](=O)[O-])CC1	32853944	JWIHWPJZEVSRTB-UHFFFAOYSA-N	394.378	3.780	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1	23379309	XCESJWALVGXNBD-QPJJXVBHSA-N	385.851	3.719	5	40	GHBB	
CCOc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])cc1OC	12771430	RLAGMMFNOOEQEL-UHFFFAOYSA-N	391.449	3.980	5	40	GHBB	
Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	5538370	RLVRHMAQKGZPRL-CYBMUJFWSA-N	395.371	3.742	5	40	GHBB	
Cc1nn(CC(=O)N(C)[C@H](C)c2cccc(-c3ccncc3)c2)c(C)c1[N+](=O)[O-]	72295518	BNNBZFDUSLBAQH-OAHLLOKOSA-N	393.447	3.690	5	40	GHBB	
COCCCn1ccc2nc3ccn(C4CCCCCC4)c(=O)c3cc2c1=O	38829338	ISKNWCQPXNQXHV-UHFFFAOYSA-N	381.476	3.643	5	40	GHBB	
CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1	98086495	FYBPIYNFHNFOHZ-LICLKQGHSA-N	399.428	3.711	5	40	GHBB	
O=C1N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1	13546663	QQAPUEBVWSGAMA-FOWTUZBSSA-N	375.340	3.952	5	40	GHBB	
O=C(c1ccc(OCc2cccnc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21	29888089	GBOPYKNYJKFMFZ-UHFFFAOYSA-N	375.384	3.772	5	40	GHBB	
COc1ccccc1Nc1nc(NCc2ccc(C)cc2)nc(N)c1[N+](=O)[O-]	5031185	DCVIPPWJDOPCPU-UHFFFAOYSA-N	380.408	3.640	5	40	GHBB	
CC(C)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	20410859	GBSPIYPMTHPJSX-UHFFFAOYSA-N	399.447	3.719	5	40	GHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1	7365042	JEMTWJSYNVPOCX-UHFFFAOYSA-N	399.428	3.997	5	40	GHBB	
Cc1ccccc1C(=O)NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1	97229464	VWWGNGIZXAQGLZ-UHFFFAOYSA-N	375.375	3.580	5	40	GHBB	
CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	36644252	JOWJECVNODXDFK-UHFFFAOYSA-N	392.433	3.661	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nccn2C[C@@H](O)c2ccc(OC(F)F)cc2)c1	49998719	ARYKSIRCJCADOS-MRXNPFEDSA-N	375.331	3.793	5	40	GHBB	
CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	15372936	VTBAYMGWXOBRJG-UHFFFAOYSA-N	375.812	3.886	5	40	GHBB	
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])nc3C)n2)c1	2466141	ZSEGKMSSQDTSMT-UHFFFAOYSA-N	379.298	3.573	5	40	GHBB	
O=c1c2c(-c3cccc([N+](=O)[O-])c3)ccnc2[nH]n1-c1nc2ccccc2s1	10338972	ILPWHEWYALTCMA-UHFFFAOYSA-N	389.396	3.899	5	40	GHBB	
Cc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)c1	59488925	SWIICKKIOQMZMQ-KRWDZBQOSA-N	393.321	3.513	5	40	GHBB	
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cccc(O)c1	850641	IEQTVPGYCXHJID-UHFFFAOYSA-N	376.324	3.893	5	40	GHBB	
COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1	3288043	DGZSSHUXLHNXLH-SFHVURJKSA-N	396.355	3.733	5	40	GHBB	aggregator
O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1	6883014	UINIZMGEGSCBON-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	7814504	MNEHTLGOLWFVLY-QMMMGPOBSA-N	398.202	3.668	5	40	GHBB	
O=C1S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C(=O)N1CCCc1ccccc1	409124217	AKYAGDZGGMYNSM-SFQUDFHCSA-N	384.413	3.970	5	40	GHBB	
CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	9007782	XRCRPPBXPVPUKC-GOSISDBHSA-N	396.472	3.643	5	40	GHBB	
O=C(Oc1ccc2ccccc2c1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1	25501103	RKMVKMFTSFMHJQ-UHFFFAOYSA-N	392.411	3.799	5	40	GHBB	
COc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC	40112892	SYOVWZOJNNWUMZ-CYBMUJFWSA-N	388.420	3.890	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1	225001230	PSLBHZPFNFROLY-UHFFFAOYSA-N	396.837	3.568	5	40	GHBB	
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1	5253093	FVZCGAVNAFBJSU-CQSZACIVSA-N	384.484	3.637	5	40	GHBB	
CC(=O)Oc1cccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1	1435304	NUDDOZKNBPCHGJ-PXNMLYILSA-N	386.747	3.518	5	40	GHBB	
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@H](C)C3)c(O)n2n1	23157577	ZEIJEQYZXPMRKI-NHYWBVRUSA-N	387.465	3.534	5	40	GHBB	
C[C@@H](Sc1nnc(C2CCCCC2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1	4977149	XAZAEVWTEMLFMT-GFCCVEGCSA-N	389.481	3.890	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1	8752614	DVXUCHBNNVHVOL-UHFFFAOYSA-N	389.481	3.875	5	40	GHBB	
CCCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)NC1=S	409088279	WOTJFHHCNNWMQP-PDGQHHTCSA-N	397.456	3.641	5	40	GHBB	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1	5867250	AMCCWAPTYAPWTQ-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(COCC(F)(F)F)cc1	11484261	TUXWEQSEIDGENC-UHFFFAOYSA-N	397.353	3.645	5	40	GHBB	
Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1	10263785	ZHQSEWUWEBOTNX-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
C[C@H]1CCCCN1Cc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	32930255	DBIJJPXPURXJCN-KRWDZBQOSA-N	381.476	3.828	5	40	GHBB	
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C	24572393	DUOISVSHRGSQJI-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1C[C@H]1CCCO1	12562072	SWCQDWHGCOEWEF-FZKQIMNGSA-N	387.823	3.994	5	40	GHBB	
COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1	2317916	OUGABODVMYACQJ-UHFFFAOYSA-N	399.454	3.547	5	40	GHBB	
Cc1noc(C(C)C)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	12847862	KYFZNBKHKOOXSO-LLVKDONJSA-N	386.364	3.983	5	40	GHBB	
O=[N+]([O-])c1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	14328693	LCIXVXXEKNMZOO-UHFFFAOYSA-N	399.838	3.620	5	40	GHBB	
CCN(CCC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)CC1CC1	95458053	ZDTSPOPOAZCIFF-UHFFFAOYSA-N	377.514	3.642	5	40	GHBB	
CCCCN(C(=O)CCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1	19295283	ONBOPUAKPNQMSZ-UHFFFAOYSA-N	383.404	3.726	5	40	GHBB	
CN(Cc1cccc(Cl)c1Cl)C[C@H](O)COc1cccc([N+](=O)[O-])c1	26712670	WUZBLURWLFCKKE-AWEZNQCLSA-N	385.247	3.773	5	40	GHBB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)C)cc1[N+](=O)[O-]	3290141	VRJKSMOPOWPCCT-ZRDIBKRKSA-N	392.415	3.558	5	40	GHBB	
CCn1cc([C@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)cn1	6637209	LZGQANGVMWZYGK-HXUWFJFHSA-N	377.404	3.873	5	40	GHBB	
C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	6824082	CDLBTZPGWQCZSU-LLVKDONJSA-N	399.790	3.980	5	40	GHBB	
Cc1noc(/C=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1[N+](=O)[O-]	408544927	WCRITVXKKYOIRH-HYXAFXHYSA-N	384.300	3.718	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1	152706393	VTUQMMUEDUCSCG-UHFFFAOYSA-N	396.837	3.568	5	40	GHBB	
O=C(O)[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1cccc([N+](=O)[O-])c1	4177939	VTTWMSWWFLOKML-HOCLYGCPSA-N	392.820	3.589	5	40	GHBB	
Cc1c(C(=O)NCc2nnc(SCc3ccccc3)o2)cccc1[N+](=O)[O-]	5107662	QEJNYCDGWZKIMO-UHFFFAOYSA-N	384.417	3.509	5	40	GHBB	
COc1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1Cl	2796530	MKMYQQPADUPEQL-UHFFFAOYSA-N	386.795	3.754	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)SC1=NC(C(F)(F)F)(C(F)(F)F)N=C(O)N12	4602708	GSFLSLAYBJPRKJ-UHFFFAOYSA-N	386.233	3.611	5	40	GHBB	
CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	6692741	ALZSDGNGYONRPB-LICLKQGHSA-N	398.396	3.757	5	40	GHBB	
CC[C@H](C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C)c1ccccc1	4870620	URRKZVFNKKDNFS-HNNXBMFYSA-N	386.404	3.587	5	40	GHBB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	8746216	GTMNTSZVRMQZQC-ICSRJNTNSA-N	397.500	3.830	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1	16282408	RHDCDWAUECNOLL-UHFFFAOYSA-N	388.767	3.697	5	40	GHBB	
CCN1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	15880168	USRJJHQVWXAGEB-UHFFFAOYSA-N	388.474	3.896	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1nc(-c2cccs2)no1	7949522	CYOADISOFMSHML-GFCCVEGCSA-N	386.433	3.859	5	40	GHBB	
COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccco2)c([N+](=O)[O-])c1	12526823	HYMBHQYIFUDFPN-UHFFFAOYSA-N	394.383	3.842	5	40	GHBB	
Cc1ccc2nsnc2c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	57315669	XPTSZUQIWOEBMB-UHFFFAOYSA-N	383.433	3.760	5	40	GHBB	
O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1	5937211	HXSAPUUZXVBZCX-UHFFFAOYSA-N	380.809	3.522	5	40	GHBB	
CCN(C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)c1ccccc1C	5270809	YVDKSWKLMANDPN-UHFFFAOYSA-N	391.427	3.780	5	40	GHBB	
COc1ccc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1	7275948	WNZWQDWCQJWUJT-UHFFFAOYSA-N	380.242	3.568	5	40	GHBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccccc2)o1	12557746	FETCWNFXHRYTCY-UHFFFAOYSA-N	396.403	3.848	5	40	GHBB	
O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	9192287	UIOIRDCCASAJMO-UHFFFAOYSA-N	393.399	3.944	5	40	GHBB	
COc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1	408626803	ILPIACQFZVMOBH-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	214764220	XXBVHDXOPLSZGI-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1F	160141022	IORSHMACUVWCRO-UHFFFAOYSA-N	386.202	3.622	5	40	GHBB	
CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2CCCOC	5030659	BMSPALIZYAFOCC-CQSZACIVSA-N	393.491	3.864	5	40	GHBB	
O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	1446366	OTOOJEBQQBRGKV-UHFFFAOYSA-N	389.363	3.866	5	40	GHBB	
Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	4924903	JAZCZWJRTWKDSI-UHFFFAOYSA-N	393.428	3.604	5	40	GHBB	
CCOc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1	6935619	MCXLXKGLESCCEH-UHFFFAOYSA-N	389.839	3.609	5	40	GHBB	
CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(N)=O)C1	672803	HLHABTSJZMQSBA-NSHDSACASA-N	387.461	3.831	5	40	GHBB	
COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	20141084	XADPAHXGNMAZOL-UHFFFAOYSA-N	385.159	3.861	5	40	GHBB	
C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1	44771197	YHLROSGHYKFOMX-GXFFZTMASA-N	384.841	3.785	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1	14703394	TVIDGQMAXPTUAU-UHFFFAOYSA-N	380.370	3.721	5	40	GHBB	
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-]	33052355	QVBSCQIDPBYZBN-UHFFFAOYSA-N	388.445	3.872	5	40	GHBB	
COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OC)c1	829673	WUZNKPVYYLRRQI-AUWJEWJLSA-N	388.763	3.610	5	40	GHBB	
CCOC(=O)[C@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12	6242313	IKFVSVFHVALILA-DFQSSKMNSA-N	392.411	3.631	5	40	GHBB	
O=C1c2ccccc2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C[C@H]1CCCO1	12561381	XAXIDWADNUKHOR-ACJLOTCBSA-N	387.823	3.994	5	40	GHBB	
Cc1c(Cl)cn2c(=O)cc(COc3ccc([N+](=O)[O-])cc3)nc2c1Cl	3250600	VDYNZUPGEWTDRO-UHFFFAOYSA-N	380.187	3.797	5	40	GHBB	
O=C(Nc1ccc(I)cc1F)c1cccc([N+](=O)[O-])c1	408624054	WXDOLLNOANYQLM-UHFFFAOYSA-N	386.120	3.591	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O	5268844	UMMJUMXVXIQNQL-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCc1nc2ccccc2[nH]1	32795293	UETOWBRWOFBTJM-AWEZNQCLSA-N	381.436	3.806	5	40	GHBB	
C[C@H]1CN(c2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	56326260	FZMZSKGNZGUDQB-BETUJISGSA-N	388.399	3.992	5	40	GHBB	
CC(=O)N1CCN(c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	7983813	FTDJIZSXSJDRME-UHFFFAOYSA-N	375.812	3.709	5	40	GHBB	
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	7141131	ACZFODDDNBYDMN-UHFFFAOYSA-N	394.258	3.793	5	40	GHBB	
NC(=O)c1ccc(CN2CCCSc3ccc(Cl)cc32)c([N+](=O)[O-])c1	79024425	AQLQIZDYTUJSSX-UHFFFAOYSA-N	377.853	3.850	5	40	GHBB	
COC(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	13546508	DHEBDNYEVRYGPY-YBEGLDIGSA-N	398.396	3.618	5	40	GHBB	
Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2Cc1ccco1	2253987	CYUPNDGEGNHKBI-UHFFFAOYSA-N	387.443	3.900	5	40	GHBB	
O=C(Cc1cccc(C(F)(F)F)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	6611728	WYUJXQFNMRWBNE-UHFFFAOYSA-N	397.305	3.766	5	40	GHBB	
Cc1c(C(=O)NCc2ccco2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	4931114	DYMYTXXHADGEEV-UHFFFAOYSA-N	382.401	3.802	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Br)cc1F	2739402	ARDPYQZXJOCKCC-UHFFFAOYSA-N	398.144	3.586	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)ccc1Cl	12799319	GSQQGAMODTWFNI-UHFFFAOYSA-N	384.816	3.741	5	40	GHBB	
Cc1nn(Cc2ccc(C(=O)N(C)Cc3cccs3)cc2)c(C)c1[N+](=O)[O-]	18081691	NLFKSSIUDIZJCJ-UHFFFAOYSA-N	384.461	3.790	5	40	GHBB	
CC(C)OC(=O)C[C@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-]	8935822	PCRUXNWTFLOEHU-SFHVURJKSA-N	399.447	3.819	5	40	GHBB	
COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	15365091	FGLIRIZENUWQPU-KRWDZBQOSA-N	390.461	3.909	5	40	GHBB	
C[C@H](NC(=O)[C@@H](C)n1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1Cl	9515785	YWRGCUMWCNZLPY-VHSXEESVSA-N	384.219	3.502	5	40	GHBB	
O=C1c2ccccc2N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N1C[C@@H]1CCCO1	96924947	TVIBKVCDTDPARL-OQVWFOMZSA-N	379.416	3.681	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1	14009728	SPOAWJXBTQBPGR-UHFFFAOYSA-N	394.250	3.793	5	40	GHBB	
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCCc2ccccc21	32932309	RSQXIRVAEKLYKK-MRXNPFEDSA-N	378.432	3.571	5	40	GHBB	
O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1	3367631	GCWIUTJJSBUDCI-UHFFFAOYSA-N	380.769	3.622	5	40	GHBB	
Cc1c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cccc1[N+](=O)[O-]	12755445	SLMIAFFDTIAROV-UHFFFAOYSA-N	380.379	3.969	5	40	GHBB	
O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	408535628	OICBUMPUXDSFLA-BQYQJAHWSA-N	393.149	3.824	5	40	GHBB	
O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1	8310402	KWTXEYYVLCDWKT-GOSISDBHSA-N	397.431	3.532	5	40	GHBB	
O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1	10383009	DWUDAYGMSWROKQ-UHFFFAOYSA-N	383.326	3.995	5	40	GHBB	
Cc1cn(CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc12	2269656	WCWRXJVFMSRLSV-UHFFFAOYSA-N	382.376	3.586	5	40	GHBB	
COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)c1	5067201	JOOGKVHAZIGQSH-UHFFFAOYSA-N	396.407	3.780	5	40	GHBB	
CNc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-]	18132324	QDBAEVSFNKAORR-UHFFFAOYSA-N	393.447	3.711	5	40	GHBB	
C[C@H]1C[C@H](C)CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1	5149815	NXWIWMCDJGWCDM-RYUDHWBXSA-N	390.875	3.715	5	40	GHBB	
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl	19941786	RDIJVEYEWKKPQA-CQSZACIVSA-N	377.809	3.690	5	40	GHBB	
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(c2ccccc2)CC1	32831327	NNNHSEHJFYRDKA-DMKPSLHHSA-N	395.459	3.556	5	40	GHBB	
COc1ccc2c(c1[N+](=O)[O-])CCCC(Br)(Br)C2=O	5493211	HDZBVYOSIAFSHL-UHFFFAOYSA-N	393.031	3.609	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O	5270440	HYQFJGUXIQGEQQ-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1	409372630	NTLQBEFVIVWXLR-RFZJPIJTSA-N	386.407	3.990	5	40	GHBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1cnc2ccccc21	9118368	HSKPANFOWIOSFV-AWEZNQCLSA-N	384.461	3.632	5	40	GHBB	
COc1ccccc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1	408569622	JWNZVDBHSKYNLE-QGZVFWFLSA-N	388.424	3.834	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	32678689	GMQBNYKIKWTLJQ-UHFFFAOYSA-N	388.767	3.696	5	40	GHBB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12	247306652	GYTQWQDOZABPNL-ANULTFPQSA-N	387.395	3.664	5	40	GHBB	
O=C(Nc1cccc(Cl)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	5270696	MXGHYHNABITAFZ-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1nc2c(Cl)cccc2s1	6219886	XGPHPFYJKBLKMS-UHFFFAOYSA-N	377.765	3.808	5	40	GHBB	
O=C(Nc1cccc(-n2cnnc2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	24703939	CCIARUNYMASZFZ-UHFFFAOYSA-N	375.344	3.688	5	40	GHBB	
COc1ccc(OCc2nnc(-c3ccc(Br)o3)o2)c([N+](=O)[O-])c1	12622904	CHMQVGULIUWYSG-UHFFFAOYSA-N	396.153	3.588	5	40	GHBB	
O=c1c2ccccc2nc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1	25369501	KZWROPJVTLZJOH-UHFFFAOYSA-N	376.397	3.840	5	40	GHBB	
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1CCc1ccccc1	2350299	BCCYYSNHQQSEKH-UHFFFAOYSA-N	390.439	3.707	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@@H](C)c2ccccn2)cc1C	67717381	NMTQJJIBVWPODY-AWEZNQCLSA-N	375.450	3.521	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c1	96013506	OMXVDQXBCLZOTK-UHFFFAOYSA-N	392.767	3.693	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccc2ccccc2c1Cl	95481778	OLQZBXSDHARNJF-UHFFFAOYSA-N	388.788	3.929	5	40	GHBB	
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc(F)c1	2483543	OLEKQACYDYMKPK-UHFFFAOYSA-N	384.392	3.919	5	40	GHBB	
Cc1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1C	5270736	NQLLFZLOASDJMO-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CN(C)CCCN(Cc1cccs1)C(=S)Nc1ccc([N+](=O)[O-])cc1	7531202	CNQZMKKDQAWIJA-UHFFFAOYSA-N	378.523	3.807	5	40	GHBB	
CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	11707650	IZXDSHLYFFKNAJ-KGLIPLIRSA-N	387.436	3.680	5	40	GHBB	
COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	2708966	OSWDIGGVERPHDC-YBEGLDIGSA-N	398.396	3.618	5	40	GHBB	
Cc1ccccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O	3158529	YJSPLPQKNUOOQZ-UHFFFAOYSA-N	377.312	3.765	5	40	GHBB	
Cc1ccccc1OCCN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	24220547	BABHWDVNCSMJKU-UHFFFAOYSA-N	383.448	3.654	5	40	GHBB	
Cc1nn2c(nc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1Cl	16737775	KTEVEEDQMURJNY-MRXNPFEDSA-N	397.822	3.898	5	40	GHBB	
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1	408581224	HQVDJABIUIIIDF-UHFFFAOYSA-N	386.355	3.751	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	408628503	UHSMTOKYDGMSBU-UHFFFAOYSA-N	394.796	3.592	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1	408607362	LHPWCKOFTFORJF-GOSISDBHSA-N	399.878	3.911	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nc(-c2ccccc2Cl)no1	217891080	WFQWHVFGQZJCAJ-CMDGGOBGSA-N	384.779	3.628	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CSc3nc(-c4cccs4)n[nH]3)c1)OCOC2	6883979	URDUVOUBTAXGAI-UHFFFAOYSA-N	376.419	3.600	5	40	GHBB	
O=C1CC2(CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)Oc2ccccc21	4505648	XXCMVXOPCZDVNF-YFHOEESVSA-N	392.411	3.635	5	40	GHBB	
CCc1nnc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)s1	4311454	RXBMBHCFSNBLLM-UHFFFAOYSA-N	396.384	3.602	5	40	GHBB	
Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1	6280463	YKYXIVDKZFVYOQ-UHFFFAOYSA-N	398.444	3.916	5	40	GHBB	
COc1cc2sc(NC(=O)COc3ccccc3[N+](=O)[O-])nc2cc1Cl	6441328	OZZVIOXIUQZQPO-UHFFFAOYSA-N	393.808	3.884	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1CSc1nc2sc(C)c(C)c2c(=O)n1C	24224932	GQDVDTNGBHIPKI-UHFFFAOYSA-N	391.474	3.821	5	40	GHBB	
CCn1c2ccccc2n2c(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nnc12	33373698	FVSHEJLUSHUBDY-UHFFFAOYSA-N	393.432	3.781	5	40	GHBB	
O=[N+]([O-])c1cc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cs1	40146120	TXWWZLXYQUEPHT-GFCCVEGCSA-N	377.403	3.844	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	60390549	QNPXRJPRSWCMEH-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc([N+](=O)[O-])c1	408628034	PSOFCWKIPSFOOR-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
Cc1cc(C(F)F)nc(SCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n1	2806201	KUJOZHOYEZCACT-HWKANZROSA-N	398.391	3.536	5	40	GHBB	
C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	23918461	ZKUWWRKOYOAIEJ-CQSZACIVSA-N	396.472	3.724	5	40	GHBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21	73642474	NFFLWOFAXGLFJD-UHFFFAOYSA-N	387.823	3.871	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2n1	5355157	ZACAYNHKNRHELY-UHFFFAOYSA-N	399.790	3.900	5	40	GHBB	
O=C(Cc1cccs1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	4087627	DFSSZOONJDVURN-UHFFFAOYSA-N	386.458	3.770	5	40	GHBB	
C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	40116703	LJCSDLPCTUYMHU-KRWDZBQOSA-N	393.321	3.581	5	40	GHBB	
CCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	9062413	NKUFYVGXDSLIJK-UHFFFAOYSA-N	395.375	3.636	5	40	GHBB	
CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1	23197194	ZQTQNJQCWAXMHQ-QGZVFWFLSA-N	389.883	3.931	5	40	GHBB	
O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1C[C@@H]1CCCO1	12562068	SWCQDWHGCOEWEF-SCLBCKFNSA-N	387.823	3.994	5	40	GHBB	
COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113833799	WKSPXACOWUBNAS-CXUHLZMHSA-N	386.385	3.506	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1	4579929	CHFXMCHTSARASD-UHFFFAOYSA-N	396.852	3.612	5	40	GHBB	
COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1[N+](=O)[O-]	214320461	IPQWORLXAGLPLJ-CXUHLZMHSA-N	388.376	3.979	5	40	GHBB	
CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3C[C@H](C)C[C@@H](C)C3)nc21	28629314	QKOFAXODBHLJGU-ZIAGYGMSSA-N	395.467	3.980	5	40	GHBB	
Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)n1Cc1cccs1	57814830	DJMDPTPYXIBKKH-UHFFFAOYSA-N	398.488	3.965	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1	409207104	PEIWKWSODGFSLW-UHFFFAOYSA-N	383.385	3.514	5	40	GHBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])c(Br)c1	12865205	JNQAMBLPAHDTTN-UHFFFAOYSA-N	386.223	3.742	5	40	GHBB	
O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1cc([N+](=O)[O-])ccc1F	6086662	KJEMJJFASPBARE-INIZCTEOSA-N	399.407	3.840	5	40	GHBB	
CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1	95983346	LIWRRZBPFMJMFQ-ZWNOBZJWSA-N	395.506	3.648	5	40	GHBB	
CC[C@H](Cc1ccc(C)cc1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	78903498	RJSBJERQTUNAPF-MRXNPFEDSA-N	376.478	3.764	5	40	GHBB	
O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	14627028	NMABKOUIRJVXMN-UHFFFAOYSA-N	396.384	3.977	5	40	GHBB	
COc1cccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)c1	4176012	UJHTUSRQYKGNIO-UHFFFAOYSA-N	396.428	3.788	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)Cc1ccc(Cl)s1	16420329	WOLFISAHUGRTAN-LBPRGKRZSA-N	381.885	3.961	5	40	GHBB	
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br	4689102	CKNXZBZLHJCLDN-UHFFFAOYSA-N	381.182	3.627	5	40	GHBB	
Cc1ccc2nc([C@@H]3CCCN(c4nc5ccccn5c4[N+](=O)[O-])C3)[nH]c2c1	95469170	FMGXFPZHABAFPQ-CQSZACIVSA-N	376.420	3.811	5	40	GHBB	
Cc1ccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1	218053091	YCXGMJPBDSQKAV-UHFFFAOYSA-N	398.444	3.503	5	40	GHBB	
Cc1ccc2c(c1)S[C@@H](C(=O)NCCCc1nc3ccc([N+](=O)[O-])cc3[nH]1)C2	1645217277	HJMDPHYKHSOFGE-GOSISDBHSA-N	396.472	3.545	5	40	GHBB	
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(Br)cc1	4176836	FNXWYKYZNABEQD-UHFFFAOYSA-N	399.222	3.848	5	40	GHBB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12	248292542	UWYRDNCOMXXPNJ-FYQPLNBISA-N	377.444	3.804	5	40	GHBB	
Cc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1[N+](=O)[O-]	12928102	PZLDKDYTBFQLKQ-UHFFFAOYSA-N	381.436	3.681	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(F)c1	6882521	XVAXMUXRTVKPDF-UHFFFAOYSA-N	380.397	3.701	5	40	GHBB	
O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1	72229298	KEEOJNLOMGUYHD-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O	103718937	FUKHWLQVQGIGBO-NSHDSACASA-N	391.786	3.687	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SCc1ccccc1	8149657	GIGVOEREAAPHPM-UHFFFAOYSA-N	378.475	3.672	5	40	GHBB	
COc1ccccc1CNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	6369558	NNBWCOZYFRADPH-NSHDSACASA-N	397.353	3.739	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1F	8916426	WZOUTGYSRNCLGV-UHFFFAOYSA-N	384.363	3.935	5	40	GHBB	
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408537829	XNHJFKJTWVHXRF-UVCZLPLXSA-N	384.344	3.860	5	40	GHBB	
O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1)c1cccs1	851220	QHQLGTLGGAHKPM-SAPNQHFASA-N	399.472	3.830	5	40	GHBB	
Cc1ccc(NC(=O)c2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])c1	11689869	VZSOUXPTBCKKHC-UHFFFAOYSA-N	393.193	3.689	5	40	GHBB	
COC(=O)c1cc(C(=O)OCc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1	3500961	BFQPNODYXXLTIX-UHFFFAOYSA-N	383.278	3.757	5	40	GHBB	
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(OC)c1	5889152	DXYUSUXIBVTMPH-UHFFFAOYSA-N	385.420	3.855	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(O)c2c(C)csc2n1	408596632	SNGSUPVXRZCXFL-UHFFFAOYSA-N	390.446	3.653	5	40	GHBB	
Cc1ccc(NC(=O)N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1	96006343	UAHXBGGLEXJIMJ-UHFFFAOYSA-N	391.431	3.806	5	40	GHBB	
CCOC(=O)c1cc(C(=O)OCc2cccc3cccnc23)cc([N+](=O)[O-])c1	11296649	CPBVAKJQDJCEBF-UHFFFAOYSA-N	380.356	3.677	5	40	GHBB	
COC(=O)c1ccc(OCc2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])c1	40024540	AILNWNFDMCOOSM-UHFFFAOYSA-N	381.388	3.763	5	40	GHBB	
Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccc3ccccc3c2n1	40384477	YSVZHCNPBYBDIV-UHFFFAOYSA-N	395.418	3.931	5	40	GHBB	
CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1csc([N+](=O)[O-])c1	40140678	CUBPNSZWJDQRAI-UHFFFAOYSA-N	381.841	3.719	5	40	GHBB	
Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	7594481	SLWIUHROINYKLX-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-]	4696178	FVUOQYHETHPMGT-UHFFFAOYSA-N	390.808	3.931	5	40	GHBB	
CCCCOc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)c2ccccc12	19943354	CLNMBXSUVHTNAK-UHFFFAOYSA-N	389.433	3.669	5	40	GHBB	
CC1CCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1	24620426	HGTVJZSZAJAUGZ-UHFFFAOYSA-N	395.459	3.764	5	40	GHBB	
C[C@@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2	5981409	VNKWZTCOZOGKBD-ALFMTBLISA-N	398.459	3.625	5	40	GHBB	
CCc1cccc2c(C(=O)COc3ccc(C(=O)OC)cc3[N+](=O)[O-])c[nH]c12	7129289	QCJINPMONSTZTQ-UHFFFAOYSA-N	382.372	3.687	5	40	GHBB	
Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1C	20196928	DGTSYHQJOXCUGL-UHFFFAOYSA-N	398.444	3.916	5	40	GHBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cc1ccccc1	24151665	BMFXSNNVDMQWGJ-OAQYLSRUSA-N	376.412	3.649	5	40	GHBB	
CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	13115492	QHXQCWDMBJGOIW-LJQANCHMSA-N	380.429	3.651	5	40	GHBB	
O=C(CCc1c[nH]c2ccccc12)OCc1cc([N+](=O)[O-])cc2c1OCOC2	6999817	XDFDUAREWMERJR-UHFFFAOYSA-N	382.372	3.619	5	40	GHBB	
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20412347	PPMFESWYTODCAV-UHFFFAOYSA-N	399.491	3.976	5	40	GHBB	
CC(C)c1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1	408564665	DMAFQDSUZJHOMP-GNXKAVGDSA-N	391.471	3.865	5	40	GHBB	
Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	7736828	BLBPJNYDOXXWSW-UHFFFAOYSA-N	375.812	3.705	5	40	GHBB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1F	8209339	PXSWCARWXJHTKZ-UHFFFAOYSA-N	392.343	3.654	5	40	GHBB	
COC(=O)c1ccc(OCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1	22187734	PDVNZSRPPKNZPL-UHFFFAOYSA-N	393.779	3.775	5	40	GHBB	
CCN(CC)S(=O)(=O)c1ccc(OC/C=C/c2ccccc2)c([N+](=O)[O-])c1	7427666	YHYBVIJRKPAHKO-DHZHZOJOSA-N	390.461	3.718	5	40	GHBB	
Cc1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1[N+](=O)[O-]	8393351	FNMAXECGCSYZPH-UHFFFAOYSA-N	385.380	3.788	5	40	GHBB	
Cc1ccc(C(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-]	13371508	WXSUAKSNPGSBAN-UHFFFAOYSA-N	399.388	3.506	5	40	GHBB	
COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1	16851078	BVIMRTZACOQOGA-UHFFFAOYSA-N	399.388	3.553	5	40	GHBB	
Cc1cc(NCCCN2CCCCCC2=O)nc(-c2cccc([N+](=O)[O-])c2)n1	40153411	BAJUUCMQHZVWBG-UHFFFAOYSA-N	383.452	3.565	5	40	GHBB	
CN(C)C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	22696416	LFUXAKUSZNXVAM-LJQANCHMSA-N	396.491	3.618	5	40	GHBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nc2ccccc2s1	2231572	HPRPKEBIZSVHRU-UHFFFAOYSA-N	385.430	3.812	5	40	GHBB	
CN(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	72295882	VHLOMDKNWKUCMP-CABCVRRESA-N	377.828	3.721	5	40	GHBB	
CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1	408732316	UJWSYCPHXGSFSC-BOPFTXTBSA-N	394.383	3.815	5	40	GHBB	
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	408917121	NAAMDQRSCLOISN-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
CCc1nc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1	213391642	MPAYVYXRRUAWHD-ZROIWOOFSA-N	386.389	3.753	5	40	GHBB	
O=[N+]([O-])c1ccc(NCCOc2nonc2-c2ccccc2)c2ncccc12	59384012	OOBJDNKZHMSHRM-UHFFFAOYSA-N	377.360	3.684	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC(Cc1ccccc1)Cc1ccccc1	30835754	JAWNCTVIXANJSW-UHFFFAOYSA-N	396.468	3.727	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCc1nc2ccccc2[nH]1	32795292	UETOWBRWOFBTJM-CQSZACIVSA-N	381.436	3.806	5	40	GHBB	
CCN(CC)C(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	119864297	DOCYNHOGFDUTET-UHFFFAOYSA-N	375.812	3.983	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1	5559025	GGWGDILMAJWAFU-UHFFFAOYSA-N	385.401	3.744	5	40	GHBB	
NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCC2	9194836	WITMEVIWNZSVLF-UHFFFAOYSA-N	397.412	3.756	5	40	GHBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br	27951664	JQDIFLTUDJGNML-NSHDSACASA-N	399.266	3.705	5	40	GHBB	
CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	7984556	QVXOMMQEWRHMFM-AWEZNQCLSA-N	394.383	3.767	5	40	GHBB	
COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OCc1ccncc1	36759266	ROEUVHVFDCVTJL-UHFFFAOYSA-N	379.372	3.830	5	40	GHBB	
CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O	1312824	WGDWPSAYKGCTJR-UHFFFAOYSA-N	390.754	3.868	5	40	GHBB	
CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1	4187939	OUPBYZWCXKAFGT-UHFFFAOYSA-N	396.491	3.902	5	40	GHBB	
O=C(Nc1cccc(CNc2nc3ccccn3c2[N+](=O)[O-])c1)c1ccncc1	54836873	HFPAILOXOKXKGI-UHFFFAOYSA-N	388.387	3.502	5	40	GHBB	
COC(=O)c1ccc(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	7986479	RLJOZQVGIOXWRK-WEVVVXLNSA-N	375.764	3.791	5	40	GHBB	
CCN1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O	409002286	ZNRZGGLZGFJGDY-UHFFFAOYSA-N	390.351	3.729	5	40	GHBB	
COc1cc(CN(C)CCOc2cccc([N+](=O)[O-])c2)ccc1OC(F)F	36396712	OKOHJTVRBZSXQN-UHFFFAOYSA-N	382.363	3.716	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(CN2CCCCCC2)CC1	45832010	QVRWJOQMUXAKKU-UHFFFAOYSA-N	379.888	3.976	5	40	GHBB	
CSc1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2s1	2616511	NUVMXAHJLQWGLW-UHFFFAOYSA-N	375.431	3.944	5	40	GHBB	
Cc1nn(C)c(C)c1Nc1c([N+](=O)[O-])cnc2ccc(Br)cc12	32803852	XLIUFORWEAFJTA-UHFFFAOYSA-N	376.214	3.999	5	40	GHBB	
COc1ccc(OC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1	12523168	GJOFJLDGFIJHFV-UHFFFAOYSA-N	391.855	3.588	5	40	GHBB	
Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N2CCOCC2)o1	12558133	BYCPQFAXUCBZRQ-IBGZPJMESA-N	382.420	3.530	5	40	GHBB	
O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1407026	SXBKHCKYXITRLU-UHFFFAOYSA-N	393.399	3.944	5	40	GHBB	
CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1	408729629	CUZNAKRWVVCEDP-ZDLGFXPLSA-N	394.383	3.752	5	40	GHBB	
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	5139449	RNNLNRNOVHPNEB-OAHLLOKOSA-N	398.293	3.912	5	40	GHBB	
Cc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-]	223691239	YHUJABMUHYLRKR-UHFFFAOYSA-N	392.477	3.558	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	2501370	BAKBPXORICPROU-KRWDZBQOSA-N	378.475	3.648	5	40	GHBB	
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	8209275	OYYJXZFPDMQORQ-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
O=[N+]([O-])c1ccc(/C=C/c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1	8393472	VRVFYSKIYYAZIP-XCVCLJGOSA-N	397.391	3.983	5	40	GHBB	
CCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	20410780	QBGWOHWRDKJESS-UHFFFAOYSA-N	399.447	3.863	5	40	GHBB	
O=C(COc1ccccc1)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl	72229614	NVRIIPFPGFIUHD-UHFFFAOYSA-N	375.812	3.866	5	40	GHBB	
Cc1csc(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])n1	6052236	XYUOBGYPYLLBFS-UHFFFAOYSA-N	399.519	3.686	5	40	GHBB	
O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	69949887	VTYZTUFENUBBMF-NRFANRHFSA-N	385.508	3.988	5	40	GHBB	
CC(=O)Nc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C(=O)O2)cc1	5175585	CMDLJOPROKHEOW-CXUHLZMHSA-N	385.763	3.551	5	40	GHBB	
CCCSc1nnc(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1	9390070	NFNNRHPIHFAQKP-UHFFFAOYSA-N	391.521	3.503	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)c1	31903720	SQKVJDISPKXNAW-OAHLLOKOSA-N	384.866	3.685	5	40	GHBB	
CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	222766477	KZJIPOFZDFTFIZ-MSOLQXFVSA-N	380.429	3.852	5	40	GHBB	
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1N1CCCCC1=O	5441890	UXQGLEOVMGKQIQ-UHFFFAOYSA-N	383.404	3.681	5	40	GHBB	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCC1=O	5440884	OZZUUHLADILVCC-UHFFFAOYSA-N	389.795	3.636	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC1c2ccccc2Oc2ccccc21	1593442	CUZVLCWIHBFPET-UHFFFAOYSA-N	382.397	3.768	5	40	GHBB	
O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F	3277827	WAPIPNQNGGYPHK-UHFFFAOYSA-N	386.257	3.548	5	40	GHBB	
CCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	4736789	XJQDOPYZPAWHOQ-UHFFFAOYSA-N	388.512	3.814	5	40	GHBB	
Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1[N+](=O)[O-]	14878131	WDPYQNOLJTUTQU-UHFFFAOYSA-N	398.806	3.663	5	40	GHBB	
O=c1ccc(-c2cccc(Br)c2)nn1Cc1cccc([N+](=O)[O-])c1	5388411	VEPJVTZVHPBPRY-UHFFFAOYSA-N	386.205	3.629	5	40	GHBB	
C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccc1	663383	MJKOLGBEMYKTIL-SNVBAGLBSA-N	396.184	3.690	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c(C)c1	862143	JSEJARZVKPLESY-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
COc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-]	6343387	PEUFKXKSJXDDHP-JTQLQIEISA-N	379.210	3.857	5	40	GHBB	
COc1cc(-n2c(S)nnc2-c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	2576638	DAYCWRBFHWSJHZ-UHFFFAOYSA-N	392.824	3.802	5	40	GHBB	
CCCc1nnsc1C(=O)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1	36709427	KVACQCRAUJUAHH-UHFFFAOYSA-N	381.464	3.836	5	40	GHBB	
O=C(NC(=O)C(Cl)(Cl)Cl)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1	6828737	BKTSMYLTCVHMBF-UHFFFAOYSA-N	394.520	3.632	5	40	GHBB	
O=C(O)c1cccc(CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1	2352842	UIEKPGCTBLUXNF-OQLLNIDSSA-N	384.369	3.530	5	40	GHBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	8161277	RYJXMIHMCZICAC-AUUYWEPGSA-N	386.404	3.559	5	40	GHBB	
COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1	20140988	AASXDWAZTLWBSA-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
CCCCn1c(=O)nc2n(-c3ccc(OCC)cc3)c3ccccc3cc-2c1=O	34145197	IGVQCNDMKRXZTI-UHFFFAOYSA-N	389.455	3.851	5	40	GHBB	
CCc1nnc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)s1	1297085	MWQDZLYXOFQYEM-UHFFFAOYSA-N	396.384	3.602	5	40	GHBB	
O=C1CCCN1Cc1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1	95360858	MEYZRFCZZHICRK-UHFFFAOYSA-N	376.416	3.878	5	40	GHBB	
O=C(CCc1c(F)cccc1F)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	95949145	FIMWUGGDQZBURS-UHFFFAOYSA-N	378.331	3.606	5	40	GHBB	
O=c1/c(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2nc3ccccc3n12	3042801	WIBMOFINNJVVFY-NSIKDUERSA-N	392.223	3.672	5	40	GHBB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1	2104702	RHYOWQKYWVLEIX-JKSUJKDBSA-N	391.427	3.636	5	40	GHBB	biogenic
O=C(O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1	4602033	IRRIXZZRBRMQMX-CYBMUJFWSA-N	383.187	3.847	5	40	GHBB	
O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-]	4835151	YXHWQDGOKRKVSF-UHFFFAOYSA-N	389.824	3.560	5	40	GHBB	
Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)ccc1[N+](=O)[O-]	408629374	ZYHSBISFCWAQMQ-UHFFFAOYSA-N	388.855	3.561	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)Cc1ccc(Cl)s1	16420328	WOLFISAHUGRTAN-GFCCVEGCSA-N	381.885	3.961	5	40	GHBB	
Cc1c(CSc2nc3sc4c(c3c(=O)n2C)CCC4)cccc1[N+](=O)[O-]	40122981	LDXHCSMBHSTDRR-UHFFFAOYSA-N	387.486	3.993	5	40	GHBB	
COc1ccc(CCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1	9196687	FGVBXEYGFWVJHD-UHFFFAOYSA-N	398.444	3.801	5	40	GHBB	
Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2	819085	DWDFFXQLAFFPME-UHFFFAOYSA-N	386.795	3.990	5	40	GHBB	
O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc([N+](=O)[O-])c1	26124114	IIMFFSSZMQKKKF-UHFFFAOYSA-N	377.335	3.720	5	40	GHBB	
O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(C(F)F)nc2c1	95444478	QJRMVZBEMJVYGC-UHFFFAOYSA-N	376.319	3.816	5	40	GHBB	
CCOc1cc(CO)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	34772901	CUCWFJKWKXNSAG-UHFFFAOYSA-N	382.210	3.827	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1	7594351	WVTINNMDCUDDNF-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2c(C)cc(C)cc2C)NC(=O)N1	6053147	HXEPXURWKAXYGT-IBGZPJMESA-N	394.431	3.787	5	40	GHBB	
CC(=O)Nc1nc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cs1	43768306	YQRNMHMJJBTXAK-UHFFFAOYSA-N	394.408	3.718	5	40	GHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1	5536443	QXWABRHUQKQKGP-UHFFFAOYSA-N	381.138	3.623	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)ccc1Cl	6623393	JFBMWHIVSQMLLK-UHFFFAOYSA-N	378.740	3.650	5	40	GHBB	
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1-c1ccc(CO)o1	20141039	MPSPPEZFEVZPCV-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
Cc1cc(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)oc1ccccc12	4326531	XZKDGTWGTSBDNN-OKILXGFUSA-N	379.460	3.566	5	40	GHBB	
C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	4949986	KAAKGJOOOZVFAF-SNVBAGLBSA-N	394.416	3.534	5	40	GHBB	
COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC	2741438	BRGPYBNVEVUCJL-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
CCN(CC)C(=S)Sc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	2207627	JYZRPSHHUZNJAP-UHFFFAOYSA-N	398.901	3.896	5	40	GHBB	
COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1	4611751	OQJAKTJJCVOZMI-UHFFFAOYSA-N	381.182	3.627	5	40	GHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cn3cc(Cl)ccc3n2)c1	16196879	DFGCDSGCORLQDN-UHFFFAOYSA-N	377.809	3.975	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	793711	VGLKGXSDUDVDMU-GOSISDBHSA-N	381.388	3.703	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2ccccc21	4484598	RUMSBNSQIYZBSB-UHFFFAOYSA-N	386.433	3.704	5	40	GHBB	
COc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1OC	819092	LUFQXYPHBACFHF-UHFFFAOYSA-N	398.419	3.633	5	40	GHBB	
O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	52410572	NHXVMDHAACNYNL-UHFFFAOYSA-N	379.372	3.554	5	40	GHBB	
Cc1noc(C)c1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	23823912	BKSSKHSPYMNVKS-UHFFFAOYSA-N	384.358	3.541	5	40	GHBB	
Cc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1[N+](=O)[O-]	14077205	HHMIPJPMHQEQMP-UHFFFAOYSA-N	382.338	3.912	5	40	GHBB	
CNc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]	5363722	CRWCZFGGJOANKA-UHFFFAOYSA-N	398.202	3.739	5	40	GHBB	
Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1	6545457	CTXKGVURHOMTAC-UHFFFAOYSA-N	376.434	3.870	5	40	GHBB	
CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1	7069346	SREHPIAXVJLWOO-AWEZNQCLSA-N	388.493	3.876	5	40	GHBB	
Cc1c(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cccc1[N+](=O)[O-]	217878566	YZFDUWMLBGUXJR-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
COc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1	2468325	FYIQXUGKMCECFI-UHFFFAOYSA-N	384.417	3.520	5	40	GHBB	
CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187940	GGXPKVNZFOZMCF-UHFFFAOYSA-N	395.440	3.779	5	40	GHBB	
CCOC(=O)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	4852806	IVUORUUJBHGWRD-JXFKEZNVSA-N	397.387	3.541	5	40	GHBB	
O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F	32641761	HUOHRPVAMUWPQN-ZDUSSCGKSA-N	376.409	3.794	5	40	GHBB	
COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	20145086	QGXILFKRILZKRR-XVNBXDOJSA-N	376.752	3.607	5	40	GHBB	
O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1	6605546	SXWJSAMPIGXXTF-UHFFFAOYSA-N	390.395	3.986	5	40	GHBB	
CCNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	15538771	QBPKUARBEJFZRJ-QGZVFWFLSA-N	397.431	3.775	5	40	GHBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1	7842747	XMFSKTWDOASZGJ-FQEVSTJZSA-N	376.412	3.577	5	40	GHBB	
COc1ccc(OC)c(Nc2nc(Nc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])c1	9244675	IIGSEFQMFHUSRU-UHFFFAOYSA-N	396.407	3.780	5	40	GHBB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	217898265	YXWARCXXGPTLQR-DHZHZOJOSA-N	398.806	3.970	5	40	GHBB	
COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(SC)ccc1[N+](=O)[O-]	55435712	XUCBBFCPQVUDOU-UHFFFAOYSA-N	388.445	3.522	5	40	GHBB	
Cc1cc(-c2noc([C@H](C)n3nc(C)c([N+](=O)[O-])c3C)n2)c2ccccc2n1	1432665	DWJZCZLGRYMKKM-ZDUSSCGKSA-N	378.392	3.924	5	40	GHBB	
O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2csc(-c3ccco3)n2)CC1	12797772	RBELSINPMQVKDK-UHFFFAOYSA-N	388.424	3.773	5	40	GHBB	
CN(C)c1ccc(-c2nnc3sc(/C=C/c4ccc([N+](=O)[O-])cc4)nn23)cc1	5345583	KYEUQHPIOWSMLJ-LFYBBSHMSA-N	392.444	3.997	5	40	GHBB	
C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	9367937	QKWMLFNCPLQEKE-LLVKDONJSA-N	390.237	3.747	5	40	GHBB	
O=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329396	JKUWPKQSOGPBEZ-UHFFFAOYSA-N	390.321	3.934	5	40	GHBB	
COc1ccccc1-c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1	11576022	WKQNAEDLQZHJMB-UHFFFAOYSA-N	385.401	3.666	5	40	GHBB	
CCOC(=O)C1CCN(C(=S)Nc2cc3ncccc3c3cccnc23)CC1	6570066	VKERHAIAMFDMJY-UHFFFAOYSA-N	394.500	3.755	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1	7882035	BJYUDHJOCNKTMJ-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
Cc1cc(C)c2cccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)c2n1	2313402	CIZAHEFQPNNQEJ-UHFFFAOYSA-N	380.429	3.887	5	40	GHBB	
COC(=O)c1ccc(C[N+]2(C[C@@H](O)COCc3ccccc3)CCCCC2)cc1	5447027	PWJPZKSWXPTXML-HSZRJFAPSA-N	398.523	3.552	5	40	GHBB	
CCOc1ccc(-c2cnc(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2C)cc1	4679007	PTDORMCBUQYETH-UHFFFAOYSA-N	396.403	3.735	5	40	GHBB	
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(F)c1	32579383	UOYMHFUMTYSNSS-UHFFFAOYSA-N	386.408	3.987	5	40	GHBB	
C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br	45797512	OVUJDLGLXOWZGR-LLVKDONJSA-N	399.266	3.538	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1	5118491	ZJGWQRORRCBKQS-UHFFFAOYSA-N	399.186	3.706	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ccsc1	40154247	POHCKJLZBQRDTP-MRXNPFEDSA-N	375.450	3.831	5	40	GHBB	
Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1	9199154	NHIYVQHECLYQNI-UHFFFAOYSA-N	398.444	3.916	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2cccnc2)n1	58133034	NSUHTIFCJSAQSQ-ZDUSSCGKSA-N	382.445	3.875	5	40	GHBB	
COc1ccc(Cc2nnc3sc(-c4cccc([N+](=O)[O-])c4C)nn23)cc1	8392899	ZWASMQXNBHDXKF-UHFFFAOYSA-N	381.417	3.669	5	40	GHBB	
CC(=O)c1cccc(Oc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])c1	15164741	NJPAFLIMPCWVFE-UHFFFAOYSA-N	392.433	3.667	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C	78992159	WMUJDOLEKVKRGM-PBHICJAKSA-N	391.468	3.669	5	40	GHBB	
CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23	5499390	URGOPTXSJQVCSA-UHFFFAOYSA-N	378.476	3.509	5	40	GHBB	in-vivo
COc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	3065981	LPULIIWVTCZFHV-HXUWFJFHSA-N	398.440	3.671	5	40	GHBB	
COc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1[N+](=O)[O-]	7388634	SUIRRNCPEZPJGW-UHFFFAOYSA-N	396.428	3.587	5	40	GHBB	
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])s1	6510518	GSBUMGQKHUNJEZ-UHFFFAOYSA-N	383.433	3.894	5	40	GHBB	
C[C@H]1CCCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])C1	4868135	QSPWBDDKDUEACT-NSHDSACASA-N	387.465	3.812	5	40	GHBB	aggregator
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(CN2CCCC2=O)c1	7069500	RLLDPIWZPBRQIY-HNNXBMFYSA-N	381.432	3.550	5	40	GHBB	
Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1-c1nccs1	7758079	AVAZOVBDPFQLMB-UHFFFAOYSA-N	375.381	3.860	5	40	GHBB	
CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	84792357	BZMBOKJMIHJWDU-INIZCTEOSA-N	393.827	3.562	5	40	GHBB	
COc1cccc2cc(-c3nnc(NC(=O)c4ccc([N+](=O)[O-])s4)o3)oc12	9166805	AMDJKHCHSAMIOY-UHFFFAOYSA-N	386.345	3.713	5	40	GHBB	
COc1ccc(OC)c(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c1	1510019	VABAZFIZGKZMBJ-NVNXTCNLSA-N	388.763	3.610	5	40	GHBB	
CCOc1ccc([C@@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	12879059	LDSHFBDHIBXWTR-FQEVSTJZSA-N	383.448	3.793	5	40	GHBB	
Cc1ccc(-n2ncc3c2ncn2nc(-c4cccc([N+](=O)[O-])c4)nc32)cc1C	5219675	RHEYPHWEXKYUOI-UHFFFAOYSA-N	385.387	3.655	5	40	GHBB	
O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1F	6561025	NSVJUSLZHSVGCJ-UHFFFAOYSA-N	386.152	3.686	5	40	GHBB	
O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-]	6623634	DVPLTSGDBJVTIN-UHFFFAOYSA-N	389.824	3.560	5	40	GHBB	
O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccccc1N1CCc2ccccc21	29052817	JPXBQBFPOYMHCH-UHFFFAOYSA-N	377.404	3.514	5	40	GHBB	
CCCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	26841105	NUKOFPLJWBGBAO-VTGAJVDQSA-N	393.443	3.838	5	40	GHBB	
CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[N+](C)(C)C3	870352	UEQQAMQPUJOCSO-UHFFFAOYSA-N	386.566	3.555	5	40	GHBB	
COc1ccc(N(Cc2ccco2)C(=O)COc2cccc([N+](=O)[O-])c2)cc1	27795742	UOTXHISPMPEKDI-UHFFFAOYSA-N	382.372	3.809	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCc1nn(-c2ccc(F)cc2)c2c1CCC2	60110596	PCHTUKQVRUVDAL-UHFFFAOYSA-N	383.379	3.996	5	40	GHBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	20137261	WRBOMPDZPGJVBZ-UHFFFAOYSA-N	382.372	3.537	5	40	GHBB	
C[C@H]1CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1	226316300	MKHZRQNRGWGETL-YUMQZZPRSA-N	394.063	3.733	5	40	GHBB	
O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1cccc([N+](=O)[O-])c1	3150567	XHVUBTOGKKSYJA-UHFFFAOYSA-N	388.339	3.869	5	40	GHBB	
COc1ccccc1-c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1	4356204	XDOZPDVCJYJPQX-UHFFFAOYSA-N	396.428	3.791	5	40	GHBB	
Cc1nn(Cc2nnc(Nc3ccc(F)c(Cl)c3)s2)c(C)c1[N+](=O)[O-]	1012027	RXFCRIDXXNZVKR-UHFFFAOYSA-N	382.808	3.844	5	40	GHBB	
COc1ccc2c(C)c(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(=O)oc2c1	12608989	WDYZKBTWOFBHOB-UHFFFAOYSA-N	396.399	3.898	5	40	GHBB	
COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1	8473632	SCGDDGDTCRULRT-JTQLQIEISA-N	383.857	3.777	5	40	GHBB	
Cc1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)ccc1[N+](=O)[O-]	6646636	QXJYXQYGBYTDEL-UHFFFAOYSA-N	393.193	3.689	5	40	GHBB	
O=[N+]([O-])c1ccsc1N1CCC2(CC1)C[C@@H](CN1CCC(F)(F)CC1)O2	306144760	ZNUHJOUPXCYLIH-ZDUSSCGKSA-N	387.452	3.515	5	40	GHBB	
COc1ccc(C2=C[C@H](c3cccc([N+](=O)[O-])c3)n3nc(SC)nc3N2)cc1	100068440	XBTVAWSISYNXJL-QGZVFWFLSA-N	395.444	3.973	5	40	GHBB	
O=c1[nH]c(/C=C/c2ccccc2OCc2ccccc2Cl)nc(O)c1[N+](=O)[O-]	9234833	OMYRRGHOXRZUGQ-MDZDMXLPSA-N	399.790	3.787	5	40	GHBB	
CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	3284623	NOPRSYUGCMBMOY-UHFFFAOYSA-N	376.796	3.915	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1	4354030	CCDSBDXWIVIDNW-UHFFFAOYSA-N	394.412	3.710	5	40	GHBB	
COc1ccc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)n3nc(SC)nc3N2)cc1	100068442	XBTVAWSISYNXJL-KRWDZBQOSA-N	395.444	3.973	5	40	GHBB	
O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1	2776353	PIXDFLPYNOIISO-UHFFFAOYSA-N	375.764	3.637	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1	103718945	IOYIEOIUXDWCTE-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1	57452111	KYLPEXPCLIPCAA-UHFFFAOYSA-N	382.395	3.711	5	40	GHBB	
Cc1ccc(Nc2nc(N(C)Cc3ccccc3)nc(N)c2[N+](=O)[O-])cc1C	5031388	GIHQJYVNKDVFMV-UHFFFAOYSA-N	378.436	3.964	5	40	GHBB	
CCOC(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1	4420695	KHMFIESLBMIBDL-UHFFFAOYSA-N	382.332	3.972	5	40	GHBB	
CCN(CC)c1ccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)/c(=N/O)oc2c1	4663578	IVQIAIOEAFBEFW-XDOYNYLZSA-N	396.403	3.729	5	40	GHBB	
COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	20108911	DHKXKQBGGLJEJZ-SFHVURJKSA-N	378.450	3.669	5	40	GHBB	
O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)c1cccc([N+](=O)[O-])c1	33407546	BLDXCFZFALRPKG-UHFFFAOYSA-N	383.351	3.867	5	40	GHBB	
Cc1c(CO)c2ccccc2n1C(=O)c1ccc(Br)c([N+](=O)[O-])c1	226368181	HDODYQSTRLCYKI-UHFFFAOYSA-N	389.205	3.801	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	5270698	CEAZRHURCNLJDU-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCO2	32848213	BELUGKXLPKRLSN-UHFFFAOYSA-N	391.811	3.850	5	40	GHBB	
Cc1nc(C)c(-c2nnc(SCCOc3ccccc3[N+](=O)[O-])o2)s1	48363517	SPUQKSHCXVYVBM-UHFFFAOYSA-N	378.435	3.889	5	40	GHBB	
Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c([N+](=O)[O-])n1	6331718	YYEKVSVZQHRXBH-UHFFFAOYSA-N	389.717	3.988	5	40	GHBB	
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@H](C)C2	15583096	JQFLXDOVHQAKJX-OLZOCXBDSA-N	385.420	3.756	5	40	GHBB	
Cc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl	72229089	RDCQUKKBYXSMGA-UHFFFAOYSA-N	388.855	3.561	5	40	GHBB	
Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1	5969925	RQRZUBQJGKYXJH-JTQLQIEISA-N	384.219	3.861	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)cc1[N+](=O)[O-]	40119371	CQIXISVDROMZEW-UHFFFAOYSA-N	391.309	3.755	5	40	GHBB	
CC[C@@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	6618751	PUHQYIDYTRBJRE-CYBMUJFWSA-N	388.445	3.818	5	40	GHBB	
CCCc1cc(=O)[nH]c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1	9644474	DXCCGHYEPTUWBO-JTQLQIEISA-N	387.421	3.534	5	40	GHBB	
O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)Sc1nnc2c(n1)[nH]c1ccccc12	36580065	SLMUCHIREKLOJR-NTEUORMPSA-N	393.384	3.632	5	40	GHBB	
O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC(Cc2cccc(F)c2)CC1	48288940	FQJPQXSOSVIHDW-UHFFFAOYSA-N	385.395	3.554	5	40	GHBB	
CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	4084447	GTWUWEPMOKWYNQ-UHFFFAOYSA-N	382.372	3.742	5	40	GHBB	
CCC(CC)c1nnc(NC(=O)c2ccc(NCCOC)c([N+](=O)[O-])c2)s1	32744479	GZAJPHDOEMKKAW-UHFFFAOYSA-N	393.469	3.661	5	40	GHBB	
CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5783876	ARZAUDBUPDNGMA-SECBINFHSA-N	395.824	3.549	5	40	GHBB	
O=C(/C=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)NCCOc1ccccc1	16490736	CMISPSTXCFQWRK-OUKQBFOZSA-N	377.400	3.594	5	40	GHBB	
O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1	6615782	CDKOCNCTGNSLEJ-UHFFFAOYSA-N	384.461	3.712	5	40	GHBB	
COc1ccc(C(=O)COc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1	8487414	PYWOFTSVPNXJRF-UHFFFAOYSA-N	376.364	3.922	5	40	GHBB	biogenic
CS(=O)(=O)c1ccc(Oc2ccc(Cl)c3cccnc23)c([N+](=O)[O-])c1	7612768	ROKXAVRXDAAHJP-UHFFFAOYSA-N	378.793	3.992	5	40	GHBB	
COc1cc2c(cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C)CCCC2	222751777	MQBSAZRWRAOIDN-UHFFFAOYSA-N	376.434	3.591	5	40	GHBB	
CCOC(=O)c1cnc2ccccc2c1OCCOc1cccc([N+](=O)[O-])c1	1641176245	AWDVBCHDWVEJSG-UHFFFAOYSA-N	382.372	3.778	5	40	GHBB	
COc1cc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc(OC)c1OC	5577402	KMDZJBSPHIWLEU-UHFFFAOYSA-N	378.406	3.595	5	40	GHBB	
CCN(CC)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(OC)c1	32902748	DYWHILZUBYUGPL-ARKBFRDHSA-N	397.475	3.816	5	40	GHBB	
Cc1nn(CC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-]	3443896	KPDLWIDKCGUPMT-UHFFFAOYSA-N	392.459	3.747	5	40	GHBB	
CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])[nH]c2c1	4830277	ZJWMOFVTHMGYCU-UHFFFAOYSA-N	390.396	3.740	5	40	GHBB	
O=C(c1ccco1)n1nc(-c2cccs2)nc1NCc1cccc([N+](=O)[O-])c1	9667659	VPZWDRKBICZPFV-UHFFFAOYSA-N	395.400	3.808	5	40	GHBB	
CC(C)Oc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1Br	409341987	DEQLCTLKCGELHL-GQCTYLIASA-N	396.197	3.516	5	40	GHBB	
COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1O	214899354	FYBOWEBMNHZLEL-CXUHLZMHSA-N	386.385	3.546	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1	224988683	XIJBZBACNYKZMF-UHFFFAOYSA-N	382.463	3.541	5	40	GHBB	
CCOc1ccc(Nc2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])cc1	5100663	UASJZAWIGKSEQS-UHFFFAOYSA-N	380.408	3.721	5	40	GHBB	
O=C(COc1cccc(Br)c1)N1CCCc2cc([N+](=O)[O-])ccc21	12904876	SITDDLYMGLUHIU-UHFFFAOYSA-N	391.221	3.716	5	40	GHBB	
CCOC(=O)Cc1csc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1	3200416	LJHLLCCUEQJTSP-UHFFFAOYSA-N	391.430	3.624	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)c1cccc(Br)c1	3247454	XVENIRGVHRFSIR-BQYQJAHWSA-N	390.189	3.797	5	40	GHBB	
CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	6912364	JCUWBYWPAACAGV-UHFFFAOYSA-N	394.383	3.670	5	40	GHBB	
COc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1	8725993	OSHJDFVNSYBQMT-UHFFFAOYSA-N	383.448	3.770	5	40	GHBB	
COc1cccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)c1	12977326	CVLZPVKSFXYNMV-IBGZPJMESA-N	384.436	3.562	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1	103718947	IOYIEOIUXDWCTE-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C(=O)O)c3o2)cc1Br	226236974	UEPSWUBEHBPEHO-UHFFFAOYSA-N	393.149	3.872	5	40	GHBB	
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	25273797	WTPZITOQUOQGED-UHFFFAOYSA-N	390.783	3.944	5	40	GHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1OCC(F)(F)F	12523483	FPPVNGKDDRFYQX-UHFFFAOYSA-N	383.326	3.977	5	40	GHBB	
CCOc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	55767819	NTFHGHCKHBKCIA-UHFFFAOYSA-N	399.432	3.526	5	40	GHBB	
Cc1nn(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)c(C)c1[N+](=O)[O-]	14019283	KLUBCQUGSCCDPI-UHFFFAOYSA-N	376.416	3.659	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12	19284918	ZVWQGBHKFOPXGJ-LBPRGKRZSA-N	382.372	3.821	5	40	GHBB	
CN(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	32932358	SWXFEJWDOYVIGO-UHFFFAOYSA-N	399.428	3.869	5	40	GHBB	
CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC	44848142	DRXLFTIXYHHFMV-UHFFFAOYSA-N	388.420	3.972	5	40	GHBB	
CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	47219402	WDWDVVCDNSQSKS-UHFFFAOYSA-N	375.812	3.983	5	40	GHBB	
COc1ccc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)n2C)cc1	40127436	DPYNQZIBXKODMZ-UHFFFAOYSA-N	386.433	3.570	5	40	GHBB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1	263585794	MPANFRBATGWFFA-DOTOQJQBSA-N	391.427	3.636	5	40	GHBB	biogenic
CCCCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	21874599	OJAWDCPZUFZGAK-UHFFFAOYSA-N	378.432	3.906	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	33133175	ZMXJNFHEMILPCC-GFCCVEGCSA-N	398.202	3.738	5	40	GHBB	
Cc1ccc2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)c2n1	59294241	CQMGWRFGNUHPPS-UHFFFAOYSA-N	380.429	3.887	5	40	GHBB	
O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccnc1	4733831	PBBIOXWHCNEIAY-CYBMUJFWSA-N	389.626	3.528	5	40	GHBB	
Cc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	25211551	GYRXCTSGWSWNCP-INIZCTEOSA-N	396.443	3.934	5	40	GHBB	
O=[N+]([O-])c1ccccc1-c1nnc(CSc2nnc(-c3ccccc3O)o2)o1	9010513	VYGUJAYAWPIQTM-UHFFFAOYSA-N	397.372	3.693	5	40	GHBB	
Cc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1[N+](=O)[O-]	1308451	VSLSEMVPQLRCCB-UHFFFAOYSA-N	380.356	3.906	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1cc(F)cc2c1OCOC2	14126074	QCXXENJKRJBHCZ-YBJDMEARSA-N	386.379	3.833	5	40	GHBB	
CCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1	6784935	RPKMVLYOKNXEIX-UHFFFAOYSA-N	380.491	3.918	5	40	GHBB	
CCN(CC)C(=O)C1(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCC1	79059732	MYWCTUOKNTZEIN-UHFFFAOYSA-N	396.875	3.941	5	40	GHBB	
Cc1cccc(COc2ccccc2/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c1	409332269	QBQMQMYIJYCIDO-KTKRTIGZSA-N	379.372	3.854	5	40	GHBB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1	214764271	OEHDCZHCCHSJPE-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc1c32	5153712	CVDJFYZWFCQATA-JTQLQIEISA-N	385.807	3.897	5	40	GHBB	
Cc1cc(OC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1	4248400	XKODTYDAWHVCAM-UHFFFAOYSA-N	378.384	3.719	5	40	GHBB	
O=C(COc1ccccc1F)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1	35586203	DSOBZOSQVJMIIA-UHFFFAOYSA-N	379.394	3.936	5	40	GHBB	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	52410710	ANMZYNPNKMUTSK-UHFFFAOYSA-N	377.784	3.858	5	40	GHBB	
CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	101084979	IVUORUUJBHGWRD-UZLBHIALSA-N	397.387	3.541	5	40	GHBB	
O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc([N+](=O)[O-])c1	12915604	GUVOUZDDLZGOAH-UHFFFAOYSA-N	397.431	3.707	5	40	GHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	103718077	JHZNSRHCXAHXIB-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)c1C	6062415	MYQZQHKGZUQHEA-SNVBAGLBSA-N	380.784	3.630	5	40	GHBB	
CNc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-]	8728086	USPNOHIQUIUEPT-UHFFFAOYSA-N	377.784	3.704	5	40	GHBB	
CCN(CC)S(=O)(=O)c1cc2c(=O)c3c(C)ccc(C)c3[nH]c2cc1Cl	5398214	YWGLRSXEERUOSC-UHFFFAOYSA-N	392.908	3.982	5	40	GHBB	
CC(C)c1cncc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	1539165425	YQKAUYJPAOCZDT-UHFFFAOYSA-N	398.448	3.645	5	40	GHBB	
CN(C)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1	4585322	PDGKDKFDCGNLNY-UHFFFAOYSA-N	384.461	3.803	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1	4935013	UERMJJBSHHYVHB-UHFFFAOYSA-N	384.417	3.608	5	40	GHBB	
Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccco2)cc1	2341443	VJQYBYDYRCOOAO-UHFFFAOYSA-N	397.434	3.865	5	40	GHBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2c(Nc3ccccc3)n(-c3ccccc3)[n+]([O-])c2c1	4182288	PFRGBIMYBUYCDL-UHFFFAOYSA-N	391.343	3.824	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccs2)c1	4551564	LVEMSGRRZNXVAP-UHFFFAOYSA-N	397.412	3.926	5	40	GHBB	
Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-]	7217328	YQUSAOKOFNYMIG-UHFFFAOYSA-N	392.458	3.949	5	40	GHBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	8161263	RYJXMIHMCZICAC-KUHUBIRLSA-N	386.404	3.559	5	40	GHBB	
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1ccc(F)cc1	408566630	FUONKNICCQEVKR-INIZCTEOSA-N	376.388	3.964	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2nc3ccccc3nc2c1	96582999	DCFPQUDPGBEEKG-UHFFFAOYSA-N	384.439	3.872	5	40	GHBB	
Cn1c(=O)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)c2ccccc21	5560946	GCRYWHDSCRUKHN-UHFFFAOYSA-N	377.444	3.906	5	40	GHBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3cccs3)no2)C1	1364505	CLVIJULFIHJESS-LBPRGKRZSA-N	384.417	3.726	5	40	GHBB	
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	6478268	IYNKIJXEPCFNMX-UHFFFAOYSA-N	394.416	3.630	5	40	GHBB	
COc1cc(Cn2ncc3ccc([N+](=O)[O-])cc32)c(OC)cc1Br	12870740	GHQMRPKVWIEDNB-UHFFFAOYSA-N	392.209	3.773	5	40	GHBB	
O=C1NC(=O)/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)N1	13546541	LYYARUSSGPOJJK-WQRHYEAKSA-N	389.367	3.507	5	40	GHBB	
O=C(Nc1ccccc1C(=O)NCc1ccccc1F)c1ccc([N+](=O)[O-])o1	7246399	UYXWEYCNZUJVEV-UHFFFAOYSA-N	383.335	3.509	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC1CCCCC1	7701661	TXXCBGRAJOCHTH-CYBMUJFWSA-N	378.425	3.834	5	40	GHBB	
CC1CCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)CC1	408993729	FGFAXKGOOZLLCO-UHFFFAOYSA-N	394.500	3.983	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2)s1	225073151	VFEZTKNNPMABQL-UHFFFAOYSA-N	396.837	3.568	5	40	GHBB	
COc1cc(C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC(F)F	11763314	YBSNFQFXVVNHBX-UHFFFAOYSA-N	386.738	3.788	5	40	GHBB	
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1-c1ccc(CO)o1	20140948	WSFXFHJJFYEYSY-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	28267672	FEDFSQBBAQQOBW-AWEZNQCLSA-N	381.432	3.740	5	40	GHBB	
CC(C)c1cccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	8984104	HOKNGWSLBIPASG-ZDUSSCGKSA-N	376.434	3.519	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1	23992964	APRKANMFYZZODI-UHFFFAOYSA-N	395.415	3.837	5	40	GHBB	
COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1	408629140	ZZJMXKLVMKCJOS-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCCCC1(C2OCCO2)CCCCCC1	78902811	WTCXODVWMGODFU-UHFFFAOYSA-N	390.480	3.747	5	40	GHBB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1	58343842	QKQHYUCEZVWPRY-UHFFFAOYSA-N	385.239	3.775	5	40	GHBB	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	579882194	VHGYHHBBVTWNFK-QFYYESIMSA-N	395.337	3.935	5	40	GHBB	
CC[C@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	6618992	PUHQYIDYTRBJRE-ZDUSSCGKSA-N	388.445	3.818	5	40	GHBB	
COc1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-]	4846338	IUADDLBKRMSUQE-LBPRGKRZSA-N	382.372	3.821	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCc1nnc(-c2ccc(Br)o2)o1	8982969	GLOXKYOPPWZTIF-UHFFFAOYSA-N	396.153	3.588	5	40	GHBB	
CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224763262	KCHQIBJINITTAF-UHFFFAOYSA-N	376.434	3.741	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1cccc(OC(C)C)c1	13676565	NAVNLLDHSNRQSY-UHFFFAOYSA-N	392.477	3.602	5	40	GHBB	
O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1F	1807643	ZBIZCHSVQKULCF-UHFFFAOYSA-N	399.378	3.529	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1ccco1)C1CCCCC1	853544	JBJYKLYNHLSCEU-UHFFFAOYSA-N	385.420	3.910	5	40	GHBB	
COC(=O)c1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1	48366458	GQQMVXYCNQOSGE-UHFFFAOYSA-N	398.415	3.587	5	40	GHBB	
Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c1	408570954	MLDRZZACFOXONM-SFHVURJKSA-N	398.444	3.723	5	40	GHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl	9586901	FGYFRFJYHFEZFX-UHFFFAOYSA-N	382.203	3.660	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1	7889675	ICPILUMCIQZVMK-CQSZACIVSA-N	397.456	3.990	5	40	GHBB	
O=c1c2c(nc3n1CCS3)c1cc(F)ccc1n2Cc1ccc([N+](=O)[O-])cc1	1428297	JAWHSBBDUHXTDI-UHFFFAOYSA-N	396.403	3.553	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)s1	3346139	XUBITZQWRLJWMQ-UHFFFAOYSA-N	376.209	3.520	5	40	GHBB	
Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	6523106	TUCCRXSDRNBJJR-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1	7068788	WQHCODRKQHPQHK-HNNXBMFYSA-N	381.432	3.550	5	40	GHBB	
O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCCCCCC1	58415238	QSISKRLKVOMMGK-UHFFFAOYSA-N	388.205	3.606	5	40	GHBB	
O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CCCCC1	6670033	KZRUFJUBLKBHJK-UHFFFAOYSA-N	379.416	3.625	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1C	15360076	GDIMLAOAOPMWKZ-OAHLLOKOSA-N	396.465	3.866	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOc1cccc(Cl)c1	40095066	WVHXGZZIRZIHNV-UHFFFAOYSA-N	379.800	3.800	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1Cl	12600454	HGCQVEMMANWOSF-VXGBXAGGSA-N	377.828	3.935	5	40	GHBB	
CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1	2414474	UTDOORRCCBEOCH-HIFRSBDPSA-N	391.475	3.753	5	40	GHBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cccc(Br)c1	4719229	RDXJAHMAAUPHGM-UHFFFAOYSA-N	382.126	3.707	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1	95081276	UMQGNZMYAGIZOL-UHFFFAOYSA-N	376.254	3.680	5	40	GHBB	
O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc([N+](=O)[O-])cc1Cl	5154061	VAWRWDOLSOXHQW-UHFFFAOYSA-N	385.807	3.726	5	40	GHBB	
O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2C(=O)N1CCCCCC1	3128843	PLBFUDNETRTBDA-UHFFFAOYSA-N	395.371	3.731	5	40	GHBB	
Cc1c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-]	3309253	DBBDTZMOIUNMJI-UHFFFAOYSA-N	397.431	3.689	5	40	GHBB	
COC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1	5330504	CVXDBFZLBHJCBB-UHFFFAOYSA-N	393.403	3.991	5	40	GHBB	
COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1	20142508	WDLGWMPDMUKOHJ-UHFFFAOYSA-N	398.371	3.617	5	40	GHBB	
O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1	55831980	PYBGXUJOAVFBGL-UHFFFAOYSA-N	393.374	3.916	5	40	GHBB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)N(C)C2=S)cc1	409040311	YGPVUUNIWIYGNU-ATVHPVEESA-N	383.429	3.598	5	40	GHBB	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1	22010573	YRUWOAVAXJZNNN-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
CCOc1ccc(NCCc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC	64873700	VNNMMFOLALZVQA-UHFFFAOYSA-N	397.435	3.832	5	40	GHBB	
CC(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	12761459	USQQEUPBEOCZDB-QGZVFWFLSA-N	388.449	3.684	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2	12901814	YUZFYRHMNNKDCG-UHFFFAOYSA-N	376.796	3.899	5	40	GHBB	
COc1c(C)cccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl	408621178	LISWDHOJSIXZED-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)c1C	36759531	JZFBBBXCIFDLFL-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
CCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1	40156501	MPJRDQYODASMNI-CQSZACIVSA-N	382.258	3.511	5	40	GHBB	
CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7927947	VJICAWZOANESBK-MRXNPFEDSA-N	381.432	3.711	5	40	GHBB	
COC(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1	12738364	OLVMSIXBGBZLNX-XBXARRHUSA-N	391.763	3.662	5	40	GHBB	
Cc1cc(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc12	5694674	WYYDLRSKNDPBAA-UHFFFAOYSA-N	381.413	3.500	5	40	GHBB	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl	7108063	FTYFZAABDLGBMN-NWDGAFQWSA-N	388.807	3.771	5	40	GHBB	
C[C@@H]1CCCN(Cc2ccccc2CNC(=O)COc2ccccc2[N+](=O)[O-])C1	36393635	VKIUHIUNSLGJGE-QGZVFWFLSA-N	397.475	3.522	5	40	GHBB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	222799384	JLCSQRWCZVYNHI-RBUKOAKNSA-N	393.472	3.773	5	40	GHBB	
CC(C)[N+](C)(CCOC(=O)C1(O)c2ccccc2Oc2ccccc21)C(C)C	5761520	GXIPVUQBZOKGOS-UHFFFAOYSA-N	384.496	3.835	5	40	GHBB	in-vitro
CCOC(=O)c1cc2[nH]c3ccccc3c2[n+](-c2ccc([N+](=O)[O-])cc2)c1C	4310722	IWNDGEOHPDTOLJ-UHFFFAOYSA-O	376.392	3.991	5	40	GHBB	
CCc1c(C)sc2ncn3nc([C@@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c12	2809024	MVVKVZCQVMRMKH-SNVBAGLBSA-N	385.453	3.541	5	40	GHBB	
O=C(c1ccccc1)c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1	24206072	GRGXRTHJTLDEBR-OAHLLOKOSA-N	380.400	3.682	5	40	GHBB	
CN(C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1	24749372	BVAPNESGTNHGQH-OAQYLSRUSA-N	399.494	3.574	5	40	GHBB	
C[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(F)cc1	8050870	VQWNGZRGIXRTJL-CYBMUJFWSA-N	393.440	3.692	5	40	GHBB	
CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2o1	32097431	GBKAJLJTAJOZOH-UHFFFAOYSA-N	375.406	3.834	5	40	GHBB	
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	22259074	LYEARXHXTWATOB-UHFFFAOYSA-N	377.205	3.711	5	40	GHBB	
CCOC(=O)/C=C/c1c([N+](=O)[O-])sc(Br)c1Br	984489	LVQSDOZVMZBBRP-ONEGZZNKSA-N	385.033	3.758	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)Cc1ccco1	8916210	GLGSPZDTOMFJGO-UHFFFAOYSA-N	384.363	3.935	5	40	GHBB	
COc1cccc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C2CCC(O)CC2)c1	58299604	VURDXKQKVQOIOQ-UHFFFAOYSA-N	399.447	3.941	5	40	GHBB	
COc1ccc(C)c2s/c(=N\C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n(C)c12	100908781	DLVAMMIPOSCDEU-RXYHETPMSA-N	383.429	3.606	5	40	GHBB	
Cc1ccc([C@H]2CCCN2c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	32829506	YEMOZNNOFPUEHK-LJQANCHMSA-N	395.459	3.717	5	40	GHBB	
CCOc1ccc(Nc2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])cc1	5177451	KRDOKGLTMQGYGU-UHFFFAOYSA-N	384.371	3.992	5	40	GHBB	
CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-]	24254281	WALUBMOHWYFJRD-UHFFFAOYSA-N	381.432	3.518	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	408628350	RMGWXQBVESDMCP-UHFFFAOYSA-N	389.433	3.517	5	40	GHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1	3057458	ABNMHKNTYXGUOX-GOSISDBHSA-N	390.395	3.844	5	40	GHBB	
CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1	4850394	YZGRGTNPXLSQCI-UHFFFAOYSA-N	381.436	3.997	5	40	GHBB	
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1	1080713	VZISHCGFFPMHEL-GOSISDBHSA-N	378.388	3.797	5	40	GHBB	
O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO	5688300	RAYSQJXXHJYAFD-UHFFFAOYSA-N	392.411	3.945	5	40	GHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1	95433726	JEINJKWIPMZIFG-NRFANRHFSA-N	396.468	3.998	5	40	GHBB	
Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	5571414	MXQVTNBTKBHOOI-UHFFFAOYSA-N	382.401	3.685	5	40	GHBB	
O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	6251302	OMCXRUCVLGFJDX-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1	13000715	GIOGRCYWZTWUCL-GOSISDBHSA-N	384.436	3.562	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)Cc2coc3cc(C)ccc23)c([N+](=O)[O-])c1	5184871	VEJPXTSFGLXEAM-UHFFFAOYSA-N	382.372	3.682	5	40	GHBB	
Cc1ccccc1SCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	5206728	XDEQPVUNXVWTAT-UHFFFAOYSA-N	375.402	3.605	5	40	GHBB	
Cc1ncsc1CCOC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	5446768	ZMBOAXBDIZDVRQ-UHFFFAOYSA-N	375.450	3.750	5	40	GHBB	
O=C(c1cccc(F)c1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1	7596512	UBLOXXHTOKQAFE-UHFFFAOYSA-N	382.351	3.589	5	40	GHBB	
CC[C@H](C)[C@H](CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1	95983349	LIWRRZBPFMJMFQ-GWCFXTLKSA-N	395.506	3.648	5	40	GHBB	
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-]	17079052	LIIWCVOKGVJMGU-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1O	975844	BPJHOUAABXYQDV-UHFFFAOYSA-N	376.324	3.893	5	40	GHBB	
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc12	4225193	UJYYEKNGORNUGY-UHFFFAOYSA-N	399.834	3.679	5	40	GHBB	
O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc([N+](=O)[O-])cc1Cl	4377103	HNFCEGAJCGPHIQ-UHFFFAOYSA-N	394.778	3.605	5	40	GHBB	
Cc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)cc1[N+](=O)[O-]	5990502	ZYQYHIUWCATRBI-UHFFFAOYSA-N	379.368	3.861	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(C(C)C)cc1	3387077	HAVIPDUINXMNCB-ZDUSSCGKSA-N	386.404	3.911	5	40	GHBB	
CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C	4108674	UHOQCUJPFQKYCY-UVBSCNOISA-N	387.436	3.687	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(Oc2ccccc2)cc1	6566731	HVZKRMYBDXERJI-UHFFFAOYSA-N	382.328	3.776	5	40	GHBB	
CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	6857626	OVABRADXKLONGY-AWEZNQCLSA-N	378.841	3.727	5	40	GHBB	
CC1(C)C(c2cc(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n[nH]2)C1(C)C	1627614901	BQJKKXVRGOOONG-UHFFFAOYSA-N	394.435	3.906	5	40	GHBB	
O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1	4800804	NEKJAPSXNJHDIL-UHFFFAOYSA-N	382.141	3.536	5	40	GHBB	
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1csc(-c2ccc(F)cc2)n1	58329666	IBLNSXQOTYIIBC-UHFFFAOYSA-N	380.378	3.625	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccc(CN2CCCCC2)c1	224643651	GOENLWBTWRBZKS-ZHACJKMWSA-N	379.460	3.910	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1	224959066	DOKVRZRECOZCEE-UHFFFAOYSA-N	375.450	3.694	5	40	GHBB	
Cc1cc2c(c(=O)n1C)[C@H](c1cc3cc4ccccc4cc3nc1O)CC(=O)O2	524732783	NSLWZKYJQFXICV-INIZCTEOSA-N	386.407	3.542	5	40	GHBB	
O=[N+]([O-])c1cc(Br)ccc1CS(=O)(=O)c1ccc(Cl)cc1	199785033	SCEQCHDBIKJZNZ-UHFFFAOYSA-N	390.642	3.985	5	40	GHBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)nc1	32883897	FHIUGCKGYFPXRO-UHFFFAOYSA-N	383.452	3.811	5	40	GHBB	
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCCO2	6494548	XBYLFXLUBRNXFT-UHFFFAOYSA-N	383.385	3.742	5	40	GHBB	
C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C1=O	3305329	GRBCEOVZKBVVEV-DEOSSOPVSA-N	398.418	3.913	5	40	GHBB	
CCN(C(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	3556530	BKQSOJLKGLVUOF-GFCCVEGCSA-N	376.796	3.847	5	40	GHBB	
Nc1ccc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	89768324	IODZJERWBBTWPL-UHFFFAOYSA-N	398.246	3.509	5	40	GHBB	
CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2nnc(C)s2)c([N+](=O)[O-])c1	8856030	YNPLWUPVKLDMDP-UHFFFAOYSA-N	398.422	3.771	5	40	GHBB	
O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc([N+](=O)[O-])cc1	59475014	YGRRBWPWGQWAKN-UHFFFAOYSA-N	379.401	3.771	5	40	GHBB	
COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	12983654	KPJRIPFXTLPGRI-GOSISDBHSA-N	390.461	3.746	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	4619074	CGOFMHUIODUDMT-AWEZNQCLSA-N	383.187	3.847	5	40	GHBB	
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)Nc3ccccn3)c12	36618447	ZKTJEYWGBWEUSU-UHFFFAOYSA-N	375.344	3.754	5	40	GHBB	
O=C(NC1CC1)C1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1	54837517	LILODLOKTCZVPO-UHFFFAOYSA-N	391.777	3.762	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2c(C)cc(C)cc2C)NC(=O)N1	6053067	ZBAQYLUTGCNXKX-LJQANCHMSA-N	394.431	3.787	5	40	GHBB	
O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)CC3	33497235	NPMCGXHCFGTNNO-XFFZJAGNSA-N	397.774	3.601	5	40	GHBB	
CCOC(=O)c1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	101084981	IVUORUUJBHGWRD-OXJNMPFZSA-N	397.387	3.541	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(C(=O)O)c2)CC1	20142815	VJFWNFHBCXUNTF-UHFFFAOYSA-N	383.404	3.782	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1	12989366	ZEWNFSSCIOYPIZ-CYBMUJFWSA-N	383.429	3.930	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl	3885199	XBPNJAQHYINCJN-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1	4846657	JWRZKJMCMGHSAF-UHFFFAOYSA-N	392.452	3.938	5	40	GHBB	
CC[C@@]1(c2ccc(NSc3ccccc3[N+](=O)[O-])cc2)CCC(=O)NC1=O	5469156	QIDNINWAPUIDMC-IBGZPJMESA-N	385.445	3.798	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](N2CCc3ccccc3C2)C1	408605885	HBJIJJHKDOLJMR-SFHVURJKSA-N	399.878	3.911	5	40	GHBB	
Cc1cc(Cc2cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[N+](=O)[O-]	105405614	GHCVFAIWKHPWON-UHFFFAOYSA-N	376.281	3.527	5	40	GHBB	
CC(C)CCn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21	2210588	TWWWUBZIVQTABW-HNNXBMFYSA-N	391.475	3.520	5	40	GHBB	
Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)c1	408573595	TXTAXAIQVQOCSB-KRWDZBQOSA-N	399.432	3.902	5	40	GHBB	
C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-]	8775516	PPNDIITVSONKQC-SNVBAGLBSA-N	387.396	3.638	5	40	GHBB	
Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)c1C	69525082	XKYQHLVFLONUGG-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccc2)s1	224377604	IUKXYVJNVHHBRQ-UHFFFAOYSA-N	386.458	3.985	5	40	GHBB	
CCOP(=O)(OCC)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1	4491776	JYFLJNREQNAEOT-UHFFFAOYSA-N	379.305	3.705	5	40	GHBB	biogenic
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	4979688	UDDSAOHHBQLLFQ-IIDMSEBBSA-N	393.436	3.521	5	40	GHBB	
Cc1cccn2cc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc12	12519968	BAJWEDQFOWXZNM-UHFFFAOYSA-N	380.404	3.508	5	40	GHBB	
CCOc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1[N+](=O)[O-]	59294299	KJUNFLGCPARLCA-UHFFFAOYSA-N	378.797	3.904	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc12	10010589	LWUFHNAAWALRKT-UHFFFAOYSA-N	388.361	3.682	5	40	GHBB	
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408536208	QIGLYHWSXDARMT-GLYMIEGHSA-N	384.344	3.860	5	40	GHBB	
COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1	7166423	BTHBQNIVWROPJD-UHFFFAOYSA-N	391.449	3.522	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2nc(C)sc2c1	7241944	IWHNSAGEQGUDIW-SNVBAGLBSA-N	386.433	3.961	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1[N+](=O)[O-]	7442947	SEZXJUJQYFAQKG-UHFFFAOYSA-N	376.221	3.593	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1	2627427	WSTRDHQXZXXADN-UHFFFAOYSA-N	399.790	3.900	5	40	GHBB	
CC(=O)c1ccc(NCC[C@](O)(c2ccc(C)o2)C(F)(F)F)c([N+](=O)[O-])c1	12554553	QZBVJLQMMNEXIL-INIZCTEOSA-N	386.326	3.951	5	40	GHBB	
COC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1	20412325	XWTAGNBWUXZGJZ-UHFFFAOYSA-N	391.792	3.897	5	40	GHBB	
Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	225244733	ZZURPHKGZOFPIJ-CXUHLZMHSA-N	392.868	3.786	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1	225118940	ZALXYBUNBIAKCN-UHFFFAOYSA-N	388.804	3.611	5	40	GHBB	
Cc1ccc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)o1	50953945	QTQFVJMEVYKSIF-UHFFFAOYSA-N	397.353	3.914	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1cccs1	29623176	UCPLWLNWDQEHOL-MRXNPFEDSA-N	387.417	3.716	5	40	GHBB	
CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(N)=O)C1	672805	HLHABTSJZMQSBA-LLVKDONJSA-N	387.461	3.831	5	40	GHBB	
Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc([N+](=O)[O-])cc1	20049889	USDNZAGRICXKJV-UHFFFAOYSA-N	396.472	3.639	5	40	GHBB	
Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)n2)cc1	4855173	ZTBPWJOAMTTZRA-UHFFFAOYSA-N	383.385	3.977	5	40	GHBB	
COC(=O)c1c(COc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc2c1C	7151407	MOYRREBMSJXGSQ-UHFFFAOYSA-N	382.372	3.826	5	40	GHBB	
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	17953448	PQTXVKJFURXCER-JQBYJRRVSA-N	396.402	3.991	5	40	GHBB	biogenic
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)n1cccc/c1=N\C1CCCCC1	21899853	RZOBIGFTXPRVSW-BSYVCWPDSA-N	380.448	3.893	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-]	793703	CUJQWLZDRXANRW-GOSISDBHSA-N	381.388	3.703	5	40	GHBB	
CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC1CCCCCC1	3429699	KBBXIZUOFRQYDW-KRWDZBQOSA-N	395.887	3.842	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	14207144	WZQIYLQGHVYICQ-UHFFFAOYSA-N	380.379	3.969	5	40	GHBB	
Cc1cc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)ccc1[N+](=O)[O-]	3513152	ZMESFFRQBQBXTM-UHFFFAOYSA-N	379.368	3.855	5	40	GHBB	
Cc1c(O)ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc12	10665091	LIXAKUNWQQESQN-UHFFFAOYSA-N	389.747	3.726	5	40	GHBB	
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(F)c([N+](=O)[O-])c1	12898117	PDGZGEDMALPBOO-UHFFFAOYSA-N	380.759	3.730	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)cc1	5217046	ARTKILPQJPWFQI-UHFFFAOYSA-N	396.407	3.862	5	40	GHBB	
COC(=O)c1ccc(COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1	7296069	OHZBDLASTAXWFB-GFCCVEGCSA-N	375.402	3.605	5	40	GHBB	
CCN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	224998795	XYLPPRJGZUCBGZ-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN=C1SCc1ccccc1Cl	6322938	NPQKWFSTMHLXLQ-UHFFFAOYSA-N	375.837	3.993	5	40	GHBB	
CCCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)o1	7342113	BNEUDIBYWBNCMR-UHFFFAOYSA-N	386.227	3.668	5	40	GHBB	
O=c1ccc([N+](=O)[O-])cn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1	23053364	NBMCZIAJGRWGPB-UHFFFAOYSA-N	381.335	3.947	5	40	GHBB	
CCN(CC)[C@H](CNC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)c1ccsc1	57997439	HPSDRKQRZYYTMT-QGZVFWFLSA-N	379.457	3.917	5	40	GHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1	2428127	QHJHSJMWFGHQNK-UHFFFAOYSA-N	387.418	3.892	5	40	GHBB	
CC(=O)Nc1cc(N(C)CCOc2ccc(Cl)cc2)c(F)cc1[N+](=O)[O-]	12797778	FSEGABJFEIODOM-UHFFFAOYSA-N	381.791	3.861	5	40	GHBB	
COc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1	6552979	VVOWGOKQIWERQO-UHFFFAOYSA-N	392.433	3.570	5	40	GHBB	
O=C(O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1	4653261	LSYKWXKLQMNVEU-CQSZACIVSA-N	383.187	3.847	5	40	GHBB	
COc1cc(CN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)ccc1OC(F)F	23990781	JZMPDFYLVUCGDJ-UHFFFAOYSA-N	392.362	3.644	5	40	GHBB	
O=c1c2cc(Cl)cc(Cl)c2ncn1CCOc1cccc([N+](=O)[O-])c1	40116931	PYYUMIOYECNVQN-UHFFFAOYSA-N	380.187	3.691	5	40	GHBB	
CCOc1cc2c(cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2	32848681	HKLCCKVZICBFBO-GFCCVEGCSA-N	387.388	3.683	5	40	GHBB	
CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4676051	FMZIQBWMDHISBE-KVWWFHCMSA-N	390.480	3.995	5	40	GHBB	
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H](c1ccc(Br)cc1)C1CC1	97002725	KVOBQOQQUUEGKQ-INIZCTEOSA-N	394.225	3.638	5	40	GHBB	
Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1	408565676	CSRXULNBMQMEEM-GOSISDBHSA-N	398.444	3.723	5	40	GHBB	
C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	9367939	QKWMLFNCPLQEKE-NSHDSACASA-N	390.237	3.747	5	40	GHBB	
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cn3ccccc3n2)cc1	32315060	DGSUWRXKBIFFBT-UHFFFAOYSA-N	388.383	3.927	5	40	GHBB	
CCOc1ccccc1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	58151997	YZSIJFXZYDMBTP-UHFFFAOYSA-N	380.404	3.955	5	40	GHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	5092768	UWYRDNCOMXXPNJ-YRPNKDGESA-N	377.444	3.804	5	40	GHBB	
O=C(Oc1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409180095	WKWIRPDDJMYJRO-UHFFFAOYSA-N	383.381	3.647	5	40	GHBB	
C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	32816669	HJPPRIFHELQZCS-NSHDSACASA-N	379.210	3.614	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1	224964699	SKKNNAZNFRJCEF-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
CC1(C)Cc2cccc(OCCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2O1	24449038	XVILUUXKRAMRCL-UHFFFAOYSA-N	390.823	3.771	5	40	GHBB	
O=[N+]([O-])c1cccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(Cl)cc2)c1	1744557	MLFVVCOTBZBZAL-HXUWFJFHSA-N	386.859	3.899	5	40	GHBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Br)cc1	4016549	RHWBMEGMPVXQJY-UHFFFAOYSA-N	380.114	3.545	5	40	GHBB	
COc1cccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1	6628121	QVIQMMWECAAEIS-UHFFFAOYSA-N	389.458	3.622	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SCc1ccc(F)cc1	6605326	YIEMPHCWWDUDPR-UHFFFAOYSA-N	396.465	3.811	5	40	GHBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nc2ccccc2s1	16545474	VNNQTRPRYLLWBR-UHFFFAOYSA-N	377.359	3.962	5	40	GHBB	
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2	15583110	JQFLXDOVHQAKJX-QWHCGFSZSA-N	385.420	3.756	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1	7594285	HRIDXSOZQAXUJX-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
C[C@@H](CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC(=O)c1ccc([N+](=O)[O-])cc1	3065015	BZILKXAEWKETKK-NSHDSACASA-N	384.348	3.557	5	40	GHBB	
O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1	2657995	AZBKOQHTNMTJBM-UHFFFAOYSA-N	387.446	3.921	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccccc1N1CCCCC1	12585867	HSCLBCNRRDEQGD-UHFFFAOYSA-N	396.491	3.964	5	40	GHBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C12CC2	408767334	ZGFBWFUSASNPTQ-UAFMIMERSA-N	386.407	3.963	5	40	GHBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(Cc1nccn1C(F)F)C1CC1	69947689	LZWWGZJSTMDRNP-UHFFFAOYSA-N	393.394	3.570	5	40	GHBB	
CC(=O)c1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1	95469883	SOAZSRBDEJGNNR-UHFFFAOYSA-N	382.294	3.834	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccccc2F)c1-n1cccc1	32796388	NFOMIKFSGIZEDJ-UHFFFAOYSA-N	391.362	3.963	5	40	GHBB	
CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)c([N+](=O)[O-])c1	5159979	VKQQGPHKMIVLHZ-UHFFFAOYSA-N	390.351	3.725	5	40	GHBB	
O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1Cc1ccco1)CCCC2	5267810	OPSCRKFYMBTMFI-UHFFFAOYSA-N	397.456	3.964	5	40	GHBB	
CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1	4905311	RVCYPUBJDPAIKE-UHFFFAOYSA-N	384.392	3.992	5	40	GHBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(SC)c2)cc1OC	22021531	DKKWZSNEPCULQJ-UHFFFAOYSA-N	392.433	3.603	5	40	GHBB	
COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CC(C)C)cc1	2217832	RVOMDBQSYIYVHT-UHFFFAOYSA-N	389.455	3.580	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1	48275789	GHJFOIBUBFPEOP-IBGZPJMESA-N	379.460	3.890	5	40	GHBB	
COCc1cc(C)nc2sc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(N)c12	6660127	UJSHAWUQFLQHCS-UHFFFAOYSA-N	390.396	3.633	5	40	GHBB	
COc1ccc(C)c2s/c(=N\C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)n(C)c12	17026729	UZCUVLAFUCZCHW-WUNJIJJWSA-N	383.429	3.606	5	40	GHBB	
C[C@](O)(Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1)[C@H]1C[C@H]2C=C[C@H]1C2	100082823	HFZJXUAWTSUNJP-FEHLYQECSA-N	398.459	3.683	5	40	GHBB	
CNc1ccc(C(=O)OCc2cc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-]	12633748	DEOUQXUDCOSSFK-UHFFFAOYSA-N	383.360	3.657	5	40	GHBB	
O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1	13187217	ZRUHZBFRYGUSKH-UHFFFAOYSA-N	385.159	3.617	5	40	GHBB	
Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c1C	862144	HYVDGBSMTZDAAI-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
O=c1c2ccccc2nc(-c2ccccc2)n1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3067653	JANRENKPCYQBBK-UHFFFAOYSA-N	388.339	3.869	5	40	GHBB	
CCCCCN(CCCCC)C[C@H](C)NC(=O)CCn1ncc([N+](=O)[O-])c1C	6398452	GREXOXBZAZJLPC-KRWDZBQOSA-N	395.548	3.677	5	40	GHBB	
COc1ccccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C	2796592	PPNHMVVKSGLZMR-UHFFFAOYSA-N	380.404	3.717	5	40	GHBB	
CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC2CCCC2)cc1[N+](=O)[O-]	24600666	AHYLVQIUTJRPRX-UHFFFAOYSA-N	381.432	3.564	5	40	GHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncccn2)cc1	48201927	YMMFUAOMEHUHIX-UHFFFAOYSA-N	379.376	3.618	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3	12883549	WARSSLQTGXTOQG-UHFFFAOYSA-N	394.427	3.834	5	40	GHBB	
CN(Cc1cccc(Cl)c1Cl)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	15169143	CJTSJWMDHNVARP-UHFFFAOYSA-N	389.260	3.942	5	40	GHBB	
O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	7909554	SLMMSOVWYOHFIV-UHFFFAOYSA-N	394.456	3.681	5	40	GHBB	
O=[N+]([O-])c1ccsc1N1CCC2(CC1)C[C@H](CN1CCC(F)(F)CC1)O2	306144759	ZNUHJOUPXCYLIH-CYBMUJFWSA-N	387.452	3.515	5	40	GHBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Oc2ccccc2)c1	5002864	ZQNROHALKFARQK-UHFFFAOYSA-N	398.396	3.615	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)c1	5568779	DICDPZMSNHWHJI-OAHLLOKOSA-N	384.866	3.685	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-]	21595663	MORZWKTZSCOUCS-UHFFFAOYSA-N	394.416	3.630	5	40	GHBB	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\N=C(c2ccccc2)OC1=O	408994819	JNUCWRGCRJQZPE-UNOMPAQXSA-N	388.383	3.742	5	40	GHBB	
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1	218121701	GZZRFGVTQNIWMG-MRXNPFEDSA-N	396.852	3.533	5	40	GHBB	
COc1cc(CC2CN(c3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1	79064137	QKVJQBGVFDUBQS-UHFFFAOYSA-N	379.416	3.839	5	40	GHBB	
Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	6255854	ORBOLMSNTLGTOW-UHFFFAOYSA-N	397.412	3.996	5	40	GHBB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O	103718953	ZJXUNDMGCQJTST-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
CC(C)(C)NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	100075775	KLJUMRRTURTMGG-QBWRGEQUSA-N	393.443	3.837	5	40	GHBB	
O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	28284694	DMDSDXBMYBGJAS-UHFFFAOYSA-N	388.339	3.869	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(Cl)s2)CC1	18179974	IUDDKYLKGCRXPP-UHFFFAOYSA-N	380.857	3.659	5	40	GHBB	
CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc([N+](=O)[O-])ccc1Cl	28188739	KPUWUSWXVDHUDJ-UHFFFAOYSA-N	378.797	3.632	5	40	GHBB	
Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	408714828	XIRBQGVZXUJFNP-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cccc([N+](=O)[O-])c1	9198287	NOFVLRRMUVJFKH-UHFFFAOYSA-N	389.824	3.764	5	40	GHBB	
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	975795	OJPCRFRPTQZBNH-IBGZPJMESA-N	395.415	3.698	5	40	GHBB	
COCCCn1c(-c2ccc(Cl)cc2)nc2oc3ccccc3c(=O)c2c1=O	2352657	GYOXLUXDSKLRMP-UHFFFAOYSA-N	396.830	3.860	5	40	GHBB	
Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2C)cc1	89642684	QCQPPRQDRCPYLB-CYBMUJFWSA-N	396.451	3.735	5	40	GHBB	
O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cccc2c(=O)c3ccccc3[nH]c12	683637795	GRWSJRVQMVHZPG-INIZCTEOSA-N	384.435	3.674	5	40	GHBB	
O=C(O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1cccc([N+](=O)[O-])c1	4177937	VTTWMSWWFLOKML-GOEBONIOSA-N	392.820	3.589	5	40	GHBB	
COc1ccc(CSCC(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-]	31917940	XRYKIYTWRXIXGB-UHFFFAOYSA-N	379.463	3.809	5	40	GHBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	20140944	HTVZNLOEMWFVNX-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc([N+](=O)[O-])c1	15880211	DFUDMQHNSJHZKG-UHFFFAOYSA-N	394.456	3.862	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(OCC(C)C)cc1	4332682	OEJYGSZVKCCNGL-UHFFFAOYSA-N	386.404	3.734	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(OC(F)F)cc1	3298615	IWYUGXOTDWDNRK-JTQLQIEISA-N	381.335	3.644	5	40	GHBB	
COC(=O)c1cc(NCc2ccnc(N3CCCCCC3)c2)ccc1[N+](=O)[O-]	95393115	YUIHQPVBMHEMGC-UHFFFAOYSA-N	384.436	3.769	5	40	GHBB	
COCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O	409142603	AJZGVNVGRATGDH-YBEGLDIGSA-N	388.401	3.846	5	40	GHBB	
COc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1OC	4108199	RGFIRVBIXRMZEZ-UHFFFAOYSA-N	390.395	3.919	5	40	GHBB	
O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1	32889640	JKNHCFHUDQZGQK-UHFFFAOYSA-N	383.326	3.995	5	40	GHBB	
O=c1c([N+](=O)[O-])c(Oc2ccc(Oc3ccccn3)cc2)nc2ccccn12	24203720	QRXORBQSNLFXJE-UHFFFAOYSA-N	376.328	3.582	5	40	GHBB	
CCCn1c(Sc2nc3ccccn3c2[N+](=O)[O-])nc2ccccc2c1=O	58304014	HAQHBRHUMFZRPW-UHFFFAOYSA-N	381.417	3.514	5	40	GHBB	
CN(C)S(=O)(=O)c1ccc(SCCCc2ccccc2)c([N+](=O)[O-])c1	13140764	ZCEYQGOVJSLTKF-UHFFFAOYSA-N	380.491	3.570	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1	38856349	ONJYWDVKVDBQGK-OAHLLOKOSA-N	387.411	3.593	5	40	GHBB	
O=C(O)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1	225506029	QQONIFIKOVQGGZ-UHFFFAOYSA-N	384.388	3.509	5	40	GHBB	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	579882193	VHGYHHBBVTWNFK-MGPLVRAMSA-N	395.337	3.935	5	40	GHBB	
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2	5526404	QXQMSRSXVUIEQV-UHFFFAOYSA-N	380.809	3.837	5	40	GHBB	
Cc1cc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-]	24832072	YMCABFCGOSUYNW-UHFFFAOYSA-N	395.459	3.625	5	40	GHBB	
Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)cc1	28403282	TZJRSHZOWZLOMR-AWEZNQCLSA-N	387.823	3.544	5	40	GHBB	
COc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(C(C)C)nc3oc2c1	2348079	VVDUHTUIUPXJRE-UHFFFAOYSA-N	390.439	3.878	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-]	5700181	JWIZIFCZVOIGKW-UHFFFAOYSA-N	398.293	3.597	5	40	GHBB	
CC(C)OC(=O)C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccccc1[N+](=O)[O-]	8935826	PCRUXNWTFLOEHU-GOSISDBHSA-N	399.447	3.819	5	40	GHBB	
Cc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1	20140584	GOJDPPOMVVFQHM-UHFFFAOYSA-N	380.356	3.791	5	40	GHBB	
COc1ccc(Cl)cc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O	22607831	KXIMNDVSUAGBFU-UHFFFAOYSA-N	376.803	3.849	5	40	GHBB	
CCN(CC)C(=O)CSc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1	6107284	GTUXDWKWGUGHTM-UHFFFAOYSA-N	398.535	3.699	5	40	GHBB	
COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1	15518339	QTINAXDRLYZIMA-LJQANCHMSA-N	399.447	3.696	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)c(N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	8538714	FRBKTDWIZMTPEH-VIFPVBQESA-N	388.767	3.798	5	40	GHBB	
O=C1Nc2ccccc2S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	409102626	BMPHCWZBOKKLHE-PDGQHHTCSA-N	383.429	3.517	5	40	GHBB	
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3nc4ccccc4nc3c2)C1	33747529	UXHRJRDMVANVJY-QGZVFWFLSA-N	390.487	3.504	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1	7594350	RUMRCDKRRHMVTA-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(OCc2nccn2C)cc1	40119450	VTMPRRUVAAFXOA-HNNXBMFYSA-N	394.431	3.741	5	40	GHBB	
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C	862347	HFYSXIRAXRPCSL-SFHVURJKSA-N	387.436	3.831	5	40	GHBB	
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1csc(Br)c1	26433567	GEIGJMGNOJLFFV-WCIBSUBMSA-N	379.191	3.763	5	40	GHBB	
O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1	3533842	GSZSEEGLAVWDFB-UHFFFAOYSA-N	389.824	3.911	5	40	GHBB	
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1-c1ccc(CO)o1	20144894	SMCGCOZYGQNYLE-UHFFFAOYSA-N	382.372	3.673	5	40	GHBB	
CC(C)N(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	7108157	UUAWYTRIKQUSSJ-UHFFFAOYSA-N	376.796	3.847	5	40	GHBB	
O=C(C1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1)N1CCCCCC1	12527405	MQCIUQYOEPKVPA-UHFFFAOYSA-N	382.464	3.762	5	40	GHBB	
O=c1c([N+](=O)[O-])c(N[C@H](Cc2ccccc2)c2ccccc2)nc2ccccn12	12950124	TXZZJVVKNUINEC-GOSISDBHSA-N	386.411	3.999	5	40	GHBB	
COc1ccc(C)cc1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	8146567	XONJCGSISZFIPF-UHFFFAOYSA-N	397.475	3.787	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cn1	5701168	UTFRBHZKGGDUNX-NSHDSACASA-N	389.462	3.640	5	40	GHBB	
CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1	408625839	FVNUCGJWYXYIKG-UHFFFAOYSA-N	386.477	3.876	5	40	GHBB	
COc1ccc(NC(=O)[C@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1	16809076	DAEQMIDYFDLZOR-GOSISDBHSA-N	379.372	3.757	5	40	GHBB	
COC(=O)c1cccn1C(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-]	1725237	XEMVLUYNDKACBU-UHFFFAOYSA-N	394.383	3.759	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-]	20528605	MQGBZFXRPNUOFP-UHFFFAOYSA-N	375.337	3.551	5	40	GHBB	
CCOc1ccc(Nc2nc(N(C)Cc3ccccc3)nc(N)c2[N+](=O)[O-])cc1	5120288	GMPCNXCHLFUIBZ-UHFFFAOYSA-N	394.435	3.746	5	40	GHBB	
O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408667865	QMTTWGOIABFFKX-INIZCTEOSA-N	376.368	3.707	5	40	GHBB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1[N+](=O)[O-]	9426465	NZCNMDIIGYHZEH-UHFFFAOYSA-N	397.431	3.918	5	40	GHBB	
Cc1cc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)ccc1[N+](=O)[O-]	3449141	YODQRVOBAJPCSB-UHFFFAOYSA-N	377.400	3.767	5	40	GHBB	
Cc1cccc(Cn2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2=O)c1	5269737	GMXXWCVXHQDQAN-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O	5268842	RIGXUSBMYLGMAH-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS[C@@H]1c1ccc(Cl)cc1	4903117	ZWSHVACISYRZJA-MRXNPFEDSA-N	398.893	3.993	5	40	GHBB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	9301108	GYTQWQDOZABPNL-CGXNFDGLSA-N	387.395	3.664	5	40	GHBB	
CCOC(=O)c1sc2nc(C)c([N+](=O)[O-])c(COC)c2c1-n1cccc1	1422526	NCDRWABYLQTELZ-UHFFFAOYSA-N	375.406	3.627	5	40	GHBB	
Cc1ccc(-c2nc(CCNC(=O)COc3ccc([N+](=O)[O-])cc3)cs2)cc1	27990267	XTWDSUIABBWNNG-UHFFFAOYSA-N	397.456	3.764	5	40	GHBB	
C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1Cl	3389995	FJSQWXWKKIBJOZ-VKJYCEFSSA-N	392.770	3.971	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21	9368576	MOVYDBJJOGJHSA-CYBMUJFWSA-N	387.461	3.933	5	40	GHBB	
O=C(c1ccccc1)[C@H]1[C@@H](c2ccco2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21	36003759	GYTQWQDOZABPNL-JSXRDJHFSA-N	387.395	3.664	5	40	GHBB	
CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225015784	XVCZMRGZWQEUNC-UHFFFAOYSA-N	376.434	3.741	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(Cl)c2)NC(=O)N1	5523328	ILWKDPSZWGWCRC-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1Cl	16609872	TVDJGBNLVAYOCU-UHFFFAOYSA-N	392.795	3.962	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2ccccc2Cl)c1	7574165	KVJOQZSIIMXSJF-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
COc1ccccc1N1C(=S)N[C@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@H]2C	100889696	DXUIUDVROAUKBA-JVMOKEISSA-N	385.445	3.784	5	40	GHBB	
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-]	835953	FVMDTFSAZJYVRM-UHFFFAOYSA-N	381.344	3.701	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	28267668	FEDFSQBBAQQOBW-CQSZACIVSA-N	381.432	3.740	5	40	GHBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1	48332114	UABPJYBGAZTLBC-HZPDHXFCSA-N	396.491	3.706	5	40	GHBB	
CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1	20197166	GYCPCSSETVMKIM-UHFFFAOYSA-N	398.444	3.862	5	40	GHBB	
Cc1ccc([C@H]2CCC[C@@H]2N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1	78931334	UKYGAMSHVJCFSE-SJORKVTESA-N	378.432	3.684	5	40	GHBB	
CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225031046	YVDVNBMXUIVFSO-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
COc1ccc(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	1316287	LASHFDPBPIXGCZ-UHFFFAOYSA-N	396.399	3.845	5	40	GHBB	
O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1	12522936	FCDBVAYHTWYPBW-UHFFFAOYSA-N	390.443	3.676	5	40	GHBB	
O=C(c1cnn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1ccccc1O	35684411	KQGVENSRINGFHK-UHFFFAOYSA-N	377.278	3.736	5	40	GHBB	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)Nc1ccc(Br)cc1	2421365	XLJFYJSUESXBDS-UHFFFAOYSA-N	381.230	3.641	5	40	GHBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])OCc1nc(-c2ccsc2)no1	8547190	DNLXCISHOMSMCT-UHFFFAOYSA-N	388.405	3.642	5	40	GHBB	
Cc1ccc(O[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)c([N+](=O)[O-])n1	8747175	RZFONNNOJOPWDE-ZDUSSCGKSA-N	390.465	3.888	5	40	GHBB	
CCN1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1	72229091	JMUMXZLADOSXIN-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
O=C(CSc1ncn(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl	11475214	ZIMQGGSWGUKGFG-UHFFFAOYSA-N	389.824	3.560	5	40	GHBB	
O=C(CCCSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15924500	XWMBJIRTTSPPIM-UHFFFAOYSA-N	385.489	3.816	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1	4891507	TZRLLDCWRLRDRT-AQTBWJFISA-N	377.356	3.597	5	40	GHBB	
C[C@@H](OC(=O)c1cc(Cl)ccc1O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	7067976	JJKPJKGSUJMYRD-SECBINFHSA-N	389.751	3.922	5	40	GHBB	
COc1ccccc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	8687790	NJYJONLIZUBPRR-UHFFFAOYSA-N	391.449	3.522	5	40	GHBB	
COc1ccc(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1Br	24521031	JICOYFCMRNFMLR-UHFFFAOYSA-N	380.194	3.936	5	40	GHBB	
COC[C@H](C)N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	3284544	XEGRIMOWSHYSAU-YVEFUNNKSA-N	377.828	3.553	5	40	GHBB	
COc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc(Cl)c1O	7700603	RNDWPIGPUHOIPY-IZZDOVSWSA-N	399.790	3.617	5	40	GHBB	
C[C@H](Oc1ccccc1)C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	32829634	RVKBTHNYLSJWNW-STQMWFEESA-N	383.360	3.717	5	40	GHBB	
O=C(CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)Nc1ccc([N+](=O)[O-])cc1	32932785	RSCXBIUYTUCGRH-UHFFFAOYSA-N	394.406	3.943	5	40	GHBB	
O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	25050636	GALPQRWKHADWGW-UHFFFAOYSA-N	392.415	3.738	5	40	GHBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cn1ccnc1	58161610	RYIIWCHASOAUDP-AWEZNQCLSA-N	382.445	3.959	5	40	GHBB	
Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)cs1	12621529	WNAHKSMJRTZIGC-UHFFFAOYSA-N	383.429	3.705	5	40	GHBB	
Cc1cc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1	4672792	CPTMTVIWHGQPFI-UHFFFAOYSA-N	379.210	3.992	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)nc1	84421664	HFVLFRVAXZOXRJ-UHFFFAOYSA-N	399.451	3.575	5	40	GHBB	
Cc1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1	72229085	IVXUNDCQWNCSSS-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4032612	WNQBNSUMAXSHOW-UHFFFAOYSA-N	398.444	3.910	5	40	GHBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cc1ccccc1	24151661	BMFXSNNVDMQWGJ-NRFANRHFSA-N	376.412	3.649	5	40	GHBB	
CS(=O)(=O)c1ccc(N[C@@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])c1	16738208	KYFVSYALDMRVBC-CYBMUJFWSA-N	382.438	3.786	5	40	GHBB	
CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	6046338	SCUIUVRCHLQDCQ-KRWDZBQOSA-N	398.444	3.583	5	40	GHBB	
O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1	56124836	ZRIZTCWRENQLHD-UHFFFAOYSA-N	394.758	3.746	5	40	GHBB	
COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1	12756396	KHGOCPVHSIZYFF-LJQANCHMSA-N	384.436	3.562	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1	69371319	GFKWEHBYOULRHP-GOSISDBHSA-N	388.427	4.000	5	40	GHBB	
CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	5276202	FODMUZXEMOEGDM-OCVORMKJSA-N	387.436	3.591	5	40	GHBB	
Cc1nc(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)sc1CC(N)=O	9576087	CSOZDJMECURFSM-UHFFFAOYSA-N	377.369	3.558	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(OCc2nccn2C)cc1	40119451	VTMPRRUVAAFXOA-OAHLLOKOSA-N	394.431	3.741	5	40	GHBB	
C[C@@H](c1ccccc1)n1cnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	58018109	UTQCHCRUTKJDNF-ZDUSSCGKSA-N	383.433	3.526	5	40	GHBB	
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4895874	YIXDJHBQKPOGSN-UHFFFAOYSA-N	383.404	3.609	5	40	GHBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1	7842748	XMFSKTWDOASZGJ-HXUWFJFHSA-N	376.412	3.577	5	40	GHBB	
Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc21	8425334	NWFVUOFRJOVCFA-UHFFFAOYSA-N	376.825	3.866	5	40	GHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1Cl	408568171	HVHOLRBHFAKIQS-NIYLMHBQSA-N	392.242	3.562	5	40	GHBB	
Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])nc2c1c(=O)oc1ccccc12	4108184	YHBWVFAHGGXKDI-UHFFFAOYSA-N	375.340	3.810	5	40	GHBB	
Cc1cc(N(C)Cc2ccc3c(c2)OCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1	60858420	OEDYOIPPXCTCNK-UHFFFAOYSA-N	378.388	3.725	5	40	GHBB	
C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	47357414	ZSRIAVXVRKKWAN-QGZVFWFLSA-N	393.321	3.581	5	40	GHBB	
Cc1cc(C(=O)O)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	20142783	ZUEJCZKJDNUABX-UHFFFAOYSA-N	383.404	3.844	5	40	GHBB	
CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1O[C@H](C)CC	13468248	DSADXIMEVUBUNH-BPOWMSRESA-N	375.381	3.542	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(I)cc1	4402374	DGKDLGARUMQUIE-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
COc1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-]	4846337	IUADDLBKRMSUQE-GFCCVEGCSA-N	382.372	3.821	5	40	GHBB	
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	408637930	AVZIAUKDCFNYOJ-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCn1cc([N+](=O)[O-])cn1	95413198	SBMBQFIFFOPBAU-SNVBAGLBSA-N	383.235	3.634	5	40	GHBB	
CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1	408629112	ZMKFWOVWTDQEOR-UHFFFAOYSA-N	398.488	3.958	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ncc(-c2ccc(Cl)cc2)o1	14674712	ZNDGKQYYAJLXAM-UHFFFAOYSA-N	383.747	3.699	5	40	GHBB	
CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1	44086574	PDEUVJUMVWFTOC-UHFFFAOYSA-N	382.445	3.594	5	40	GHBB	
CCC[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1	6046041	YQVFLRXCURQLAA-NSHDSACASA-N	387.461	3.913	5	40	GHBB	
CC(C)Oc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)c1	4647431	PVTRCQUQFWYMTN-UHFFFAOYSA-N	385.449	3.647	5	40	GHBB	
CN(c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C1CCCCC1	5844284	QHHAXUHGYSFHBT-UHFFFAOYSA-N	381.498	3.538	5	40	GHBB	
Cc1nn(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c(C)c1[N+](=O)[O-]	8986660	UZONMSCPTZYATC-AWEZNQCLSA-N	378.432	3.953	5	40	GHBB	
Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	409176745	WJXAUMNBXKLIER-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
CCOC(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1	13674913	VWXAGBLYJVGMRR-UHFFFAOYSA-N	388.445	3.952	5	40	GHBB	
O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	4087635	SRHLBNUJCCLLSY-UHFFFAOYSA-N	398.419	3.848	5	40	GHBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OC(C)=O)cc3c3ccnc2c31	6624356	FQPSZMQVMNFOIK-UHFFFAOYSA-N	388.379	3.534	5	40	GHBB	biogenic
COc1ccccc1NC1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	79059096	RBVFNEGHTUIWOQ-HNNXBMFYSA-N	398.463	3.507	5	40	GHBB	
Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nccc5C)nc34)c12	17078656	IUOWTPKUHXFOJV-UHFFFAOYSA-N	385.403	3.686	5	40	GHBB	
O=C(O)c1cc(-c2ccc(O)cc2)nc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c12	20492186	OWZPHBCMOTUFGW-UHFFFAOYSA-N	376.328	3.604	5	40	GHBB	
Cc1c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cccc1[N+](=O)[O-]	12554345	DYSSZWYPUUHAGJ-UHFFFAOYSA-N	396.491	3.964	5	40	GHBB	
Cc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	10810204	JHDPNJMNOXXCKT-AWEZNQCLSA-N	377.466	3.763	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)c1	5180677	JIKQPFLOYUWJHW-UHFFFAOYSA-N	391.778	3.692	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCOCC1	4619699	WKRUVLSQPOGCSI-UHFFFAOYSA-N	378.837	3.872	5	40	GHBB	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	25357512	UDDSAOHHBQLLFQ-DAYGRLMNSA-N	393.436	3.521	5	40	GHBB	
COc1cc2c(cc1OC)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)CC2	40155598	RRNGFDAAJLCGNI-UHFFFAOYSA-N	391.855	3.736	5	40	GHBB	
CCCCCn1c(-c2ccco2)nc2oc3cc(OC)ccc3c(=O)c2c1=O	2435405	QWHQNZNQYNQJMB-UHFFFAOYSA-N	380.400	3.962	5	40	GHBB	
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1	13770477	HUOWFFVHBDWYFX-UHFFFAOYSA-N	379.416	3.797	5	40	GHBB	
CCCc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)sc1CC	6593774	HBUVPZVTJDBMCH-UHFFFAOYSA-N	387.417	3.925	5	40	GHBB	
CCC1(O)CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1	72297685	WGCHKWHUIIEMLK-UHFFFAOYSA-N	378.812	3.885	5	40	GHBB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccccc1[N+](=O)[O-]	408562644	RCSPMRPWTHJJLB-UHFFFAOYSA-N	397.362	3.604	5	40	GHBB	
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1O	408903277	WWZHPQFYNYLHBV-OQLLNIDSSA-N	386.385	3.940	5	40	GHBB	
Nc1nc(SCc2ccccc2[N+](=O)[O-])c2ncn(Cc3ccccc3)c2n1	1676147	AMIPVQPVVMSVTB-UHFFFAOYSA-N	392.444	3.657	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1OC	4487771	KUDQPFQYQGSBMN-UHFFFAOYSA-N	375.362	3.581	5	40	GHBB	
O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	6152858	AURNXIUBICIMJQ-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
COC(=O)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1OC)[C@H]1CCO[C@@H]21	6954187	NIWOWURQVFIUTF-ZNOIYHFQSA-N	384.388	3.634	5	40	GHBB	
COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc([N+](=O)[O-])c1O	15016072	LBWNPEJGCUOVKK-WCIBSUBMSA-N	391.177	3.564	5	40	GHBB	
O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1	72229366	YNIYNDZCPHWBMF-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1C(F)(F)F	5899474	JEBQSNCELUTBFM-UHFFFAOYSA-N	399.350	3.506	5	40	GHBB	
CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1	7421057	TYRNGVXSJJBOBW-UHFFFAOYSA-N	399.355	3.883	5	40	GHBB	
CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	3256192	PSZHIAJVXFPBTQ-UHFFFAOYSA-N	378.384	3.958	5	40	GHBB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N=C(S)N1C[C@@H]1CCCO1	13956807	OTETXXJEDBWIBO-HEUOVEHFSA-N	399.428	3.503	5	40	GHBB	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl	6754897	JKRNOKGSTQLAIC-UHFFFAOYSA-N	388.792	3.885	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3o2)CC1	7168704	VOFWOTNXOLWHCY-UHFFFAOYSA-N	381.388	3.521	5	40	GHBB	
CC1=C(C(N)=O)[C@@H](c2ccccc2)N2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1	408985774	AWEATDDCJSWPAZ-GOSISDBHSA-N	392.440	3.812	5	40	GHBB	
CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(Cl)c1	30872082	IFLGSLWCPDJIKE-UHFFFAOYSA-N	398.824	3.534	5	40	GHBB	
CN1CCC(Oc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	216925951	PBZMZHGNKRZBSD-UHFFFAOYSA-N	389.839	3.974	5	40	GHBB	
Cc1cc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)ccc1[N+](=O)[O-]	57313070	JGYQEHFIMDHNCY-UHFFFAOYSA-N	394.416	3.630	5	40	GHBB	
COC(=O)c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc([N+](=O)[O-])c1	12878444	FJZQTXRJPJJTHJ-QGZVFWFLSA-N	388.807	3.916	5	40	GHBB	
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	9502505	MHXGUTJNSRLKEF-OAQYLSRUSA-N	375.384	3.715	5	40	GHBB	
CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1nccn1Cc1ccccc1	97207235	OISGPGMCEJKEBH-RGEXLXHISA-N	377.400	3.943	5	40	GHBB	
CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1-c1ccc(OC)cc1	8080462	ZZBZEIRTYDYZBV-MRCUWXFGSA-N	397.456	3.974	5	40	GHBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCSc1ccc(Cl)cc1	5281900	LBSPBOYWULSGSB-UHFFFAOYSA-N	384.816	3.675	5	40	GHBB	
CC(C)C(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc2nccnc2c1	12821394	FZRAVLQWSTYMAL-FQEVSTJZSA-N	389.415	3.872	5	40	GHBB	
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1	8209383	SACKPDZLAOWXFU-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1	23931032	YVGRXZPCBYNFIS-UHFFFAOYSA-N	394.431	3.574	5	40	GHBB	
Cc1c([N+](=O)[O-])cc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]	2084703	NQWIWLUSQPLFFV-UHFFFAOYSA-N	391.208	3.759	5	40	GHBB	
O=C(Nc1cc(F)cc(N2CCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	58185715	DNLKEXZTHFDOGN-UHFFFAOYSA-N	395.394	3.772	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cccc(Br)c1	4071422	NZHFBHOHDARCEE-JTQLQIEISA-N	395.209	3.772	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2Cl)NC(=O)N1	6046161	GUKNWLRBERSTGO-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	19284981	KALSHGNYSGUGPF-CSNVJCEJSA-N	387.432	3.934	5	40	GHBB	
COc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c(OC)c1	4108198	IHUYFWNELFRIGC-UHFFFAOYSA-N	390.395	3.919	5	40	GHBB	
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1	24651889	JTOHARDGYJACAX-UHFFFAOYSA-N	399.447	3.793	5	40	GHBB	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1CCC1=CCCCC1	5823019	LDADVKQEHGZATK-UHFFFAOYSA-N	383.448	3.948	5	40	GHBB	
COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCCC2)cc1	27582965	GWRWPZYGKYWJEC-NRFANRHFSA-N	397.475	3.951	5	40	GHBB	
COc1cc(OCC(=O)Nc2ccc(Br)cc2F)ccc1[N+](=O)[O-]	66013706	WCECQQJUGOPPKL-UHFFFAOYSA-N	399.172	3.523	5	40	GHBB	
COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	20491919	UOEYNKAXIZGFGB-SFHVURJKSA-N	392.477	3.978	5	40	GHBB	
Cc1ccc2[nH]c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc3c2c1	4807363	MHLSUMGSALAECU-UHFFFAOYSA-N	388.431	3.654	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(NC(C)=O)c(SC)c1	48355594	JLKZMYPAILCRBV-UHFFFAOYSA-N	390.417	3.545	5	40	GHBB	
CCOC(=O)c1c(C)nn2c(=O)c3ccc(Br)c4cccc(c43)c12	5672847	UDMZUKJTNOECEW-UHFFFAOYSA-N	385.217	3.686	5	40	GHBB	
CCOc1ccccc1NC(=O)CSc1nccn1-c1ccc([N+](=O)[O-])cc1	2723736	KZXOKPXTSNUCKR-UHFFFAOYSA-N	398.444	3.910	5	40	GHBB	
CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	5239823	PNZAXXUUGGBBPN-UHFFFAOYSA-N	384.461	3.803	5	40	GHBB	
O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	1370473	IIHOTYGXGVPLEN-SFTDATJTSA-N	379.460	3.910	5	40	GHBB	
Cc1ccc(C(C)C)c(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	3184119	WKIVGOPDRDPWBD-UHFFFAOYSA-N	387.392	3.744	5	40	GHBB	
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2	12562446	IZIJPHPYJFZAHV-QWHCGFSZSA-N	385.420	3.756	5	40	GHBB	
COC(=O)c1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc([N+](=O)[O-])c1	12861805	YANYLNWOBKVEDV-LBPRGKRZSA-N	386.429	3.913	5	40	GHBB	
CCc1cccc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	3590891	HYIRYOXFQXLRGZ-UHFFFAOYSA-N	376.796	3.915	5	40	GHBB	
COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-]	6789657	JKKJGWLXPHRFEN-LJQANCHMSA-N	386.404	3.502	5	40	GHBB	
COC(=O)c1ccc(COc2ccc(/C=C/c3ncc([N+](=O)[O-])n3C)cc2)cc1	9466851	KSOXUBAOJMYERT-KPKJPENVSA-N	393.399	3.864	5	40	GHBB	
COc1ccc(S(=O)(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1OC	71775256	ZPAFGCXVFYWHDH-UHFFFAOYSA-N	396.420	3.796	5	40	GHBB	
Cc1ccc(-c2ccc(C(=O)n3cc(C(N)=O)c4ccccc43)o2)c([N+](=O)[O-])c1	226767098	IUQRPQJRIDDQDI-UHFFFAOYSA-N	389.367	3.905	5	40	GHBB	
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	4808293	TUJWVMOXDODKMV-NSHDSACASA-N	376.796	3.995	5	40	GHBB	
COc1cc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc2cc1Cl	6441324	SAIZXLPCUDRLMZ-UHFFFAOYSA-N	393.808	3.884	5	40	GHBB	
CN1CCC(N(C)C[C@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1	58147815	RHHGXRMBCPCNMK-NRFANRHFSA-N	386.471	3.913	5	40	GHBB	
O=C(NCc1nc(-c2ccccc2Cl)no1)c1cc([N+](=O)[O-])ccc1Cl	218126614	IXDFYJHXGGZLHC-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
Nc1c(C(=O)NCc2ccc(COc3ccccc3)cc2)cc(F)cc1[N+](=O)[O-]	71945652	IDHKZASXTBLSKY-UHFFFAOYSA-N	395.390	3.825	5	40	GHBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)CCN1	4044525	SIGMJKNMNFXWED-AWEZNQCLSA-N	390.871	3.537	5	40	GHBB	
Cc1c(NC(=O)c2ccccc2I)cccc1[N+](=O)[O-]	651268	BNLSUPLGYAEAGA-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
COc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-]	66020082	OEHOMEFTKOOAJO-UHFFFAOYSA-N	386.404	3.942	5	40	GHBB	
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	222799045	TXFQLNPRXBVWBI-MOPGFXCFSA-N	393.472	3.773	5	40	GHBB	
Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1	225269748	UNMYOVNHWCCSHB-UHFFFAOYSA-N	390.446	3.531	5	40	GHBB	
Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])n1	5969988	ORFLCQZLYFDZBY-UHFFFAOYSA-N	391.383	3.547	5	40	GHBB	
CC(C)c1ccc(Cn2cnc3c(cnn3-c3ccc([N+](=O)[O-])cc3)c2=O)cc1	40071098	VPCZHAOXWDLCFP-UHFFFAOYSA-N	389.415	3.662	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCC1CCCCC1	7701660	TXXCBGRAJOCHTH-ZDUSSCGKSA-N	378.425	3.834	5	40	GHBB	
O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1cc(Cl)ccc1Cl	8428107	VWVKHULZJXCFRP-UHFFFAOYSA-N	380.187	3.691	5	40	GHBB	
CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1	225872601	GEBOWOVZCHUBQK-UHFFFAOYSA-N	399.447	3.774	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	7574025	CNQCXRIDMFUOBJ-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCCCC3)c(O)n2n1	22853070	WDEFPGFWTHSFHE-OAHLLOKOSA-N	387.465	3.542	5	40	GHBB	
CS(=O)(=O)c1ccc(N[C@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])c1	16738209	KYFVSYALDMRVBC-ZDUSSCGKSA-N	382.438	3.786	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1	24357993	IOZYZEHHTIEUQK-UHFFFAOYSA-N	384.436	3.938	5	40	GHBB	
CNc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-]	10545540	MXMZDEFOBKHQCH-CQSZACIVSA-N	379.420	3.533	5	40	GHBB	
CC1(C)CC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC(C)(C)N1	12728414	FCDGJHYMVISRCE-UHFFFAOYSA-N	391.515	3.580	5	40	GHBB	
CCOc1ccc(CN(CC)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1OC	21932171	JHLHRQNRCJXKMJ-UHFFFAOYSA-N	387.436	3.706	5	40	GHBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C	8562414	JEDBJIRKHBXGRT-CYBMUJFWSA-N	385.420	3.529	5	40	GHBB	
CCOc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])cc1	9009378	LDQIORSNPGCTRS-UHFFFAOYSA-N	384.371	3.992	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408643726	RJLRFLCAAHNQKA-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
C[N+](C)(Cc1ccccc1)C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2	226072450	VTYMBFORVLRGBA-NEUFXUDDSA-N	388.572	3.626	5	40	GHBB	
CCN(c1ccccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225001747	XBKOTEZPYICGTL-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(CN2CCCCC2)cc1	7447724	IXGSZKUBZBOUQE-VAWYXSNFSA-N	379.460	3.910	5	40	GHBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@H]1COc2ccccc2O1	6055198	UPYOKXQLAORIMN-HXUWFJFHSA-N	388.375	3.829	5	40	GHBB	
O=C(OCc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14621246	JIDISNRLWXLMCW-UHFFFAOYSA-N	380.404	3.818	5	40	GHBB	
COc1ccccc1/C=C1\SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	409335072	YPCNHWCJUSJYCD-YVLHZVERSA-N	398.396	3.523	5	40	GHBB	
CC(=O)Nc1cccc(-n2cnnc2SCc2cccc([N+](=O)[O-])c2C)c1	40127907	WTPPBQFKJBVTAE-UHFFFAOYSA-N	383.433	3.735	5	40	GHBB	
C[C@H](NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1	40068807	AVPKXEBWQQTWOG-GJZGRUSLSA-N	394.435	3.639	5	40	GHBB	
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1	22906998	JUQFRBHQHPCKLD-HXUWFJFHSA-N	391.427	3.717	5	40	GHBB	
C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	3441641	NYCSQCJVRRWVKT-VIFPVBQESA-N	394.836	3.982	5	40	GHBB	
Cc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	409183098	PTTJGOPSGGKFOI-UHFFFAOYSA-N	397.408	3.955	5	40	GHBB	
O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	10325415	UJEOAANTYZKYHG-UHFFFAOYSA-N	377.356	3.964	5	40	GHBB	
O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cc([N+](=O)[O-])ccc1F	2623691	BRFXHJDCDRGCAY-UHFFFAOYSA-N	380.788	3.994	5	40	GHBB	
O=C(c1ccc(F)cc1)N1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1	32776849	AEZLPJYHOVHTST-UHFFFAOYSA-N	394.406	3.635	5	40	GHBB	
COc1ccc(NC(=O)COc2ccc(C)cc2Br)c([N+](=O)[O-])c1	4037487	WQZGAVDDPNCXGI-UHFFFAOYSA-N	395.209	3.692	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	69524604	HPNUWHCIULCPDA-LLVKDONJSA-N	393.321	3.605	5	40	GHBB	
O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1	4979710	KRKGYACCAODEHB-UHFFFAOYSA-N	394.836	3.912	5	40	GHBB	
Cc1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1Cl	224119495	IHGQXXQIAVUREL-UHFFFAOYSA-N	394.880	3.985	5	40	GHBB	
Cc1ccccc1[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	44904540	PLNZOPFOMVTXFA-HXUWFJFHSA-N	382.441	3.971	5	40	GHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(OCC(F)(F)F)cc1	11367125	NCYKDUWIWGLXCK-UHFFFAOYSA-N	383.326	3.977	5	40	GHBB	
CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12	10386790	SRZZGHXIWAPSDK-UHFFFAOYSA-N	382.372	3.791	5	40	GHBB	
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1	3288240	ZDKBKHXUHLCINA-UHFFFAOYSA-N	392.433	3.758	5	40	GHBB	
O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21	12907544	DRGULOFNVCJQMR-UHFFFAOYSA-N	399.410	3.591	5	40	GHBB	
CNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2	4326504	AALYVXBTHZXVAL-UHFFFAOYSA-N	379.463	3.599	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2cccc(Cl)c2)c1=O	5270541	STDZUZVQOVZYGW-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12	4225194	DNSPNIUJEFKSMX-UHFFFAOYSA-N	399.834	3.679	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(N2CCc3ccccc3C2)CC1	408607309	KTHGSUGYJSWLEU-UHFFFAOYSA-N	399.878	3.911	5	40	GHBB	
COC(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	12925646	OLQYFXXQVRDNPF-OAHLLOKOSA-N	377.784	3.674	5	40	GHBB	
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccc(F)cc1	15101611	SNKXTQQHIKNINH-ZDUSSCGKSA-N	386.383	3.856	5	40	GHBB	
O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1	409015833	BSKMNGOQKXUMMK-SFQUDFHCSA-N	375.340	3.952	5	40	GHBB	
CN(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1	24749377	BVAPNESGTNHGQH-NRFANRHFSA-N	399.494	3.574	5	40	GHBB	
CCOP(=O)(OCC)C(C)(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3180312	JANCZGLCDPFFCB-UHFFFAOYSA-N	378.749	3.980	5	40	GHBB	
CCCCCc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)c(=O)o1	4028706	BEYTWKUTZQIHJF-LRNSAUPQSA-N	376.517	3.938	5	40	GHBB	
Cc1ccc(C2=N/C(=C\c3ccc(Br)o3)C(=O)O2)cc1[N+](=O)[O-]	4460238	HXFRTYKGUILPOX-XFFZJAGNSA-N	377.150	3.603	5	40	GHBB	
O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1Cc1ccco1)CCC2	4940114	MZTMHWJKDBUORO-UHFFFAOYSA-N	383.429	3.574	5	40	GHBB	
C[C@@H]1C[C@@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1	5447211	KBXHLTQMFWDNAE-CEMLEFRQSA-N	376.561	3.626	5	40	GHBB	
COc1cc(NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl	6510751	VKHQAZXGMDUNNT-UHFFFAOYSA-N	379.800	3.624	5	40	GHBB	
O=C(O)c1ccc(CN2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1	6590770	RIMRLBJDHXLMTN-DHDCSXOGSA-N	384.369	3.530	5	40	GHBB	
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1	715506	HNMDQDBTOHJNGX-UHFFFAOYSA-N	390.808	3.931	5	40	GHBB	
COc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1	2645800	UXMNFPGSEBJNDI-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
CCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-]	20142458	RBFKPQSHAZMZSJ-UHFFFAOYSA-N	382.372	3.998	5	40	GHBB	
CCCCCCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1	4367452	CPFYLBWQSSXHDJ-OAQYLSRUSA-N	378.533	3.562	5	40	GHBB	
CCCn1c(=O)n(C)c(=O)c2c3nc4ccccc4c(-c4ccccc4)c3[nH]c21	7719373	HNLRODMUCLXYMM-UHFFFAOYSA-N	384.439	3.807	5	40	GHBB	
O=[N+]([O-])c1cc(Br)cc2c1nc(NCCCO)c1ccccc12	31719597	HCCGHDNMXQFLHU-UHFFFAOYSA-N	376.210	3.853	5	40	GHBB	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	579882192	VHGYHHBBVTWNFK-HWPZZCPQSA-N	395.337	3.935	5	40	GHBB	
CCOC(=O)C(CCC[n+]1cc2ccccc2c2ccccc21)C(=O)OCC	1578120	UKMQQBLQGZSEJQ-UHFFFAOYSA-N	380.464	3.803	5	40	GHBB	
CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1	23197197	ZQTQNJQCWAXMHQ-KRWDZBQOSA-N	389.883	3.931	5	40	GHBB	
CCCCn1c(-c2ccc(OC)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O	5350262	QZOQOLLTPYPDAB-UHFFFAOYSA-N	389.455	3.724	5	40	GHBB	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	25357500	UDDSAOHHBQLLFQ-MPGHIAIKSA-N	393.436	3.521	5	40	GHBB	
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	5845506	YUYXWMHNQWOELU-NRFANRHFSA-N	381.432	3.860	5	40	GHBB	
COC(=O)c1cc(N[C@@H](CN2CCCC2)c2ccc(OC)cc2)ccc1[N+](=O)[O-]	95468676	GXRICNZVJLOURY-IBGZPJMESA-N	399.447	3.639	5	40	GHBB	
O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cccc([N+](=O)[O-])c1	3008121	GAMPQEMIBRIFRR-UHFFFAOYSA-N	384.392	3.919	5	40	GHBB	
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2	3372427	CZGFMWAIUALEMQ-SECBINFHSA-N	378.406	3.803	5	40	GHBB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O	7928229	WMEFNTGBPBNZMT-MRXNPFEDSA-N	381.432	3.711	5	40	GHBB	
CCOc1c(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cccc1OC	8253465	DWKXWMARPMFTCX-UHFFFAOYSA-N	379.844	3.857	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1nnc(-c2ccccc2)s1	3171813	UEJPJKNQRVPGBA-UHFFFAOYSA-N	390.808	3.784	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)N2CCCCCC2)cc1[N+](=O)[O-]	24755785	ONEWTCRVWBFFGL-UHFFFAOYSA-N	381.432	3.884	5	40	GHBB	
S=C(NCc1ccco1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4	409001208	VLOGKJKMHIYCOQ-UHFFFAOYSA-N	392.440	3.634	5	40	GHBB	
COc1cc2nc3ccc(NC(=S)N4CCCCC4)cc3nc2cc1OC	408990776	LYVYSVIJWSZSHX-UHFFFAOYSA-N	382.489	3.983	5	40	GHBB	
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1	5392319	UXKBVRZMBFKTOS-UHFFFAOYSA-N	394.475	3.548	5	40	GHBB	
CCn1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21	5265972	LTUVBLLCAHBEGG-UHFFFAOYSA-N	393.447	3.924	5	40	GHBB	
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1	22907002	JUQFRBHQHPCKLD-FQEVSTJZSA-N	391.427	3.717	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	2501371	BAKBPXORICPROU-QGZVFWFLSA-N	378.475	3.648	5	40	GHBB	
COC(=O)N(C)c1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1	56449494	XRXZVWZPDKNSDB-UHFFFAOYSA-N	375.406	3.772	5	40	GHBB	
Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1	6328885	DEAOZJUECVDQKU-UHFFFAOYSA-N	383.838	3.967	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(F)cc1	6552902	UFALSJBWWCJAPL-UHFFFAOYSA-N	380.397	3.701	5	40	GHBB	
C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-]	8775513	PPNDIITVSONKQC-JTQLQIEISA-N	387.396	3.638	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1	36398058	GQTBTPXMMBSDON-UHFFFAOYSA-N	376.409	3.602	5	40	GHBB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])ccc3OC)N21	222655226	QYCZXBPGYMDNDQ-OCBCSQNSSA-N	384.461	3.978	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(Cl)c2)NC(=O)N1	5523484	ILWKDPSZWGWCRC-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)c1	3954427	HWSODBLPHNBIID-AWEZNQCLSA-N	388.815	3.699	5	40	GHBB	in-vitro
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1	48332113	UABPJYBGAZTLBC-HOTGVXAUSA-N	396.491	3.706	5	40	GHBB	
CCC[C@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1	5469929	VTDKGROEQVMLOL-NSHDSACASA-N	387.461	3.913	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccccc3s2)C1	7889677	ICPILUMCIQZVMK-AWEZNQCLSA-N	397.456	3.990	5	40	GHBB	
O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCOCC3)cc2Cl)c1	33792465	RXWHSZPLEQAIES-UHFFFAOYSA-N	392.864	3.835	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C)n1Cc1ccccc1	877769	NFEREKAVZGKZIO-UHFFFAOYSA-N	397.460	3.582	5	40	GHBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1COc2ccccc2O1	6055196	UPYOKXQLAORIMN-FQEVSTJZSA-N	388.375	3.829	5	40	GHBB	
CCCCc1nnc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1	22006060	KAUXFNXOGCZNRI-UHFFFAOYSA-N	392.484	3.988	5	40	GHBB	
O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl	25697180	ORXQBPGIMRMLJF-UHFFFAOYSA-N	388.807	3.841	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1	4599475	DIZFNAIWFZCPCW-UHFFFAOYSA-N	380.231	3.864	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1	6720203	VNKRGGOXRDQBCL-UHFFFAOYSA-N	397.478	3.504	5	40	GHBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	408628394	SHMZRTPJAOGVEG-UHFFFAOYSA-N	385.232	3.533	5	40	GHBB	
COc1cccc(NC(=O)[C@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)c1	7044816	IUOKJMABIMCRRU-GOSISDBHSA-N	379.372	3.757	5	40	GHBB	
CCc1ccc(-c2cs/c(=N\S(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]2)cc1	8195496	HJUFINVVHZZSGC-UHFFFAOYSA-N	389.458	3.503	5	40	GHBB	
NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1F	40133508	XZIIQKXNPNZXLP-UHFFFAOYSA-N	395.346	3.877	5	40	GHBB	
Cc1cc(NC(=O)COC(=O)c2ccc3ncsc3c2)c([N+](=O)[O-])cc1C	4327012	NRKZLBGAOFYTIL-UHFFFAOYSA-N	385.401	3.617	5	40	GHBB	
COc1ccccc1NCN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O	1424986	JMUDVSAOHCJMQK-YBEGLDIGSA-N	385.401	3.709	5	40	GHBB	
CC(C)n1ncc2cc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cnc21	12635607	NQUZMKNBBRJNEW-UHFFFAOYSA-N	380.408	3.747	5	40	GHBB	
O=C(O)c1ccccc1-c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	8433940	QGUGDQSNVRTGLG-UHFFFAOYSA-N	388.335	3.761	5	40	GHBB	
O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccc(Cl)cc2)CC1	5898701	BZKRTGVPSWAXBD-UHFFFAOYSA-N	385.851	3.629	5	40	GHBB	
Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-]	217944707	DERQDTIXIXHXPW-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)N21	222655145	MZMYRNYFBHJLEY-MORSLUCNSA-N	384.461	3.978	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])o1)N1CCc2[nH]c3ccc(Br)cc3c2C1	25923629	AFRKTKIXGCFWEH-UHFFFAOYSA-N	390.193	3.630	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc(CC)s2)cc1OC	24175378	QXJFRTNLKRZUHR-UHFFFAOYSA-N	393.417	3.666	5	40	GHBB	
O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc([N+](=O)[O-])c(O)c1	35262627	GXOFJHFSZDLLJM-UHFFFAOYSA-N	384.417	3.763	5	40	GHBB	
COc1ccc(Cn2c(C(C)C)nc3oc4ccccc4c(=O)c3c2=O)cc1	2196003	VJJFJWNAGQWPJH-UHFFFAOYSA-N	376.412	3.683	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1[N+](=O)[O-]	95455180	MCENJDMYCZEALG-UHFFFAOYSA-N	389.477	3.676	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225093468	AIDVFDXZFDAHOQ-UHFFFAOYSA-N	399.812	3.680	5	40	GHBB	
Cc1ccc2c(c1)S[C@H](C(=O)NCCCc1nc3ccc([N+](=O)[O-])cc3[nH]1)C2	1645217278	HJMDPHYKHSOFGE-SFHVURJKSA-N	396.472	3.545	5	40	GHBB	
CC[C@]1(c2ccc(NSc3ccccc3[N+](=O)[O-])cc2)CCC(=O)NC1=O	5468344	QIDNINWAPUIDMC-LJQANCHMSA-N	385.445	3.798	5	40	GHBB	
CCOc1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2CCO)cc1	9317486	LTBVFIZSLDZLCR-VXPUYCOJSA-N	385.445	3.748	5	40	GHBB	
O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	10327729	CQWYIJACUJXFGG-UHFFFAOYSA-N	377.356	3.964	5	40	GHBB	
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1	6495458	KOICDRAADMWBOX-UHFFFAOYSA-N	389.824	3.764	5	40	GHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3c(Cl)c(C)nn3C)nc12	17078393	ULHYAZDHMQSYFG-UHFFFAOYSA-N	383.868	3.866	5	40	GHBB	
COc1cccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1	6549252	UBDGBQOLTJGDQB-UHFFFAOYSA-N	391.449	3.522	5	40	GHBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)c3ccccc3Cl)cc21	408536060	VNMGDOSMKDZUAE-UHFFFAOYSA-N	388.811	3.657	5	40	GHBB	
Cc1cc(Br)ccc1NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]	521398264	QPHAOLUUZXLJFJ-UHFFFAOYSA-N	379.166	3.616	5	40	GHBB	
O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])cc1	15317927	LQHKHGSRHXSJAW-UHFFFAOYSA-N	394.456	3.862	5	40	GHBB	
CCOC(=O)c1c(C)nc(C)c2c(=O)oc3ccc(Br)cc3c12	12413767	SGZVGQZONYLUPF-UHFFFAOYSA-N	376.206	3.897	5	40	GHBB	
O=C(OCc1csc(-c2cccs2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2	32724219	HFGGDJJXFPTDJH-UHFFFAOYSA-N	390.398	3.866	5	40	GHBB	
COc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1	23400161	CBNAYAWNMVGGEO-UHFFFAOYSA-N	395.419	3.891	5	40	GHBB	
COc1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1	27662782	AFZBFLKVYHWTPC-UHFFFAOYSA-N	393.399	3.611	5	40	GHBB	
C[C@H](c1ccc(F)cc1F)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2	84651681	VVCLKGMJTSQCFE-AFNXNYLOSA-N	383.372	3.749	5	40	GHBB	
CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)n1	31791154	QHDKAINSVDJXEK-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl	4896871	BLUGJTPXTNTGJL-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-]	33362491	OLWNCVCXQCBLHB-FZDBZEDMSA-N	391.374	3.667	5	40	GHBB	
CCN(C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc2ccccc12	24832448	JESGCEDRUORVDY-UHFFFAOYSA-N	391.383	3.709	5	40	GHBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCc2ccccc21	8394505	BQSPGXCRCQNDKH-LBPRGKRZSA-N	388.807	3.773	5	40	GHBB	
COc1ccc([C@@H](CN2CCCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1	95468671	LOAILXYQURKRDG-QGZVFWFLSA-N	381.436	3.500	5	40	GHBB	
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OC	408620284	LOCFSCLBPQJAHX-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20491686	KIMBRXLBNLFKRH-INIZCTEOSA-N	378.450	3.669	5	40	GHBB	
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1	408626536	HYLLYMXZEQHGQF-UHFFFAOYSA-N	389.433	3.519	5	40	GHBB	
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccccc1Br	4176838	BNPKJZPSQPNLJK-UHFFFAOYSA-N	399.222	3.848	5	40	GHBB	
Cc1cc(=O)oc2cc(Oc3nc([N+](=O)[O-])nn3Cc3ccccc3F)ccc12	1425680	XFHHZBANNMQVFV-UHFFFAOYSA-N	396.334	3.581	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc2cc(F)ccc2s1	40135560	GYTQJOMWPVQQHZ-UHFFFAOYSA-N	380.422	3.736	5	40	GHBB	
Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1	32935582	HWHXHZNBPXDRNI-UHFFFAOYSA-N	393.422	3.826	5	40	GHBB	
Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]n1	36394139	XDVXYKIPZAPWIF-UHFFFAOYSA-N	397.357	3.500	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2Cl)NC(=O)N1	5523343	GKINGFZBBYMCPF-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1	8369911	IOTDODXZBXVFKF-SFHVURJKSA-N	396.472	3.643	5	40	GHBB	
Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1C1CCCCC1	882914	LJJXGTQNGLBJEV-UHFFFAOYSA-N	375.454	3.502	5	40	GHBB	
CCC(=O)N(c1nnc(SCc2cccc([N+](=O)[O-])c2C)s1)C1CC1	58171056	OSVGPAZTCPYGOL-UHFFFAOYSA-N	378.479	3.952	5	40	GHBB	
Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nc3ccccc3c2=O)nc1	8705544	UQACVGSMHVRRDL-UHFFFAOYSA-N	391.412	3.544	5	40	GHBB	
O=C(OCc1nc2ccccc2c2ccccc12)c1cccc(-n2cnnn2)c1	6590439	ZQZPGDWRJBEQCH-UHFFFAOYSA-N	381.395	3.721	5	40	GHBB	
Cc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1	4837182	STYRTVCLSVZEQE-QGOAFFKASA-N	391.383	3.906	5	40	GHBB	
Cc1ccc(NC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1Cl	95956427	FKYIAHCCVYAVSJ-UHFFFAOYSA-N	388.855	3.906	5	40	GHBB	
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1ccc(F)cc1)C1CC1	40114982	SQPCPTWATVSUDM-UHFFFAOYSA-N	382.395	3.665	5	40	GHBB	
CC(C)Sc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)cc1	36660489	RYKFPQVZOXVHTQ-UHFFFAOYSA-N	388.405	3.914	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	6220945	ZLCMUEUTZLBXDI-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC1=O)=C2	96939624	WPGQBUQNRUJRIV-RQZCQDPDSA-N	392.367	3.575	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1	10898717	ZEBSOJVPACRLIU-UHFFFAOYSA-N	387.823	3.869	5	40	GHBB	
CCn1c(=O)n(CC)c2c([N+](=O)[O-])c(Nc3ccc(C)cc3)c([N+](=O)[O-])cc21	9235156	JEVJZBVNMXFMEC-UHFFFAOYSA-N	385.380	3.711	5	40	GHBB	
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	6550390	MNPNKCHQDKSKGA-UHFFFAOYSA-N	380.448	3.727	5	40	GHBB	
O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	4703577	RVCGXHPIQKTOCJ-UHFFFAOYSA-N	394.475	3.548	5	40	GHBB	
C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1	4895859	NUIZDECRIGAJHW-CYBMUJFWSA-N	383.404	3.812	5	40	GHBB	
Cc1ccc(NC(=O)[C@@H](NCc2ccccn2)c2ccccc2)c([N+](=O)[O-])c1	5935224	PZZVYUIMQYOMBW-FQEVSTJZSA-N	376.416	3.768	5	40	GHBB	
O=C(NCCc1ccccc1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	97102846	KTTSBSZIWWAGBN-UHFFFAOYSA-N	378.378	3.932	5	40	GHBB	
CCOc1ccc([C@@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1OCC	5899329	KQWHKYZZMDATCH-CYBMUJFWSA-N	387.436	3.925	5	40	GHBB	
CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Cc1ccccc1	12486862	LJGGZZHRFLHXGE-UHFFFAOYSA-N	382.445	3.789	5	40	GHBB	
O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1[N+](=O)[O-]	3008120	UCVYVQYZKYKVLW-UHFFFAOYSA-N	384.392	3.919	5	40	GHBB	
Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Br	6216025	COHLRODOWQLRPB-UHFFFAOYSA-N	379.210	3.992	5	40	GHBB	
CCOc1ccccc1-c1nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1	408528195	UGGBPHZWRHEUCS-UHFFFAOYSA-N	387.377	3.838	5	40	GHBB	
Cc1c(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cccc1[N+](=O)[O-]	4505532	AHSFEERWCONMPA-UHFFFAOYSA-N	380.400	3.543	5	40	GHBB	
COc1ccc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c([N+](=O)[O-])c1	3443032	XQGBDKJWJOZSKQ-UHFFFAOYSA-N	380.784	3.591	5	40	GHBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(C1CC1)[C@H]1CCCc2ccccc21	62581179	VXYZWBGPBCUFSW-SFHVURJKSA-N	391.427	3.690	5	40	GHBB	
CCOc1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1[N+](=O)[O-]	20142446	XHBKNVFRNNHNOH-UHFFFAOYSA-N	394.767	3.606	5	40	GHBB	
Cc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C	13135215	CGCNJWLCSYFYDA-UHFFFAOYSA-N	384.417	3.711	5	40	GHBB	
COc1ccc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F	7912182	QQBDASBCFQDXJB-CMDGGOBGSA-N	385.344	3.649	5	40	GHBB	
C[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(F)cc1	8050862	VQWNGZRGIXRTJL-ZDUSSCGKSA-N	393.440	3.692	5	40	GHBB	
C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]	36396570	LWXVJDVTSAMLLA-KRWDZBQOSA-N	381.476	3.828	5	40	GHBB	
NC(=O)c1ccc(Nc2ccc3nc(N4CCCC4)sc3c2)c([N+](=O)[O-])c1	14308802	RJUFFHIKUPJCOJ-UHFFFAOYSA-N	383.433	3.647	5	40	GHBB	
C[C@@H](OCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	32808449	NNTCMCHPKPRFII-CQSZACIVSA-N	378.450	3.578	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	103970888	IWAMTCSQPDHOGF-CXOVXGEYSA-N	394.855	3.734	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(C)n1-c1ccccc1	4124798	TYSCYPVRNBRWOR-CYBMUJFWSA-N	397.460	3.912	5	40	GHBB	
Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1	9199178	MXZGXDGADQQBMR-UHFFFAOYSA-N	398.444	3.916	5	40	GHBB	
O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	12555601	ZQMIVJSBZOEXBG-IBGZPJMESA-N	398.463	3.719	5	40	GHBB	
O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12	22606801	KJLSTIPKXPFERF-UHFFFAOYSA-N	385.383	3.588	5	40	GHBB	
Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])n1	12642423	QTBBTJXISUEPJK-UHFFFAOYSA-N	389.717	3.988	5	40	GHBB	
O=C(Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	5670527	WBYSQZRMITVVAW-UHFFFAOYSA-N	384.117	3.657	5	40	GHBB	
Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)c(=O)[nH]c12	9233268	SJGQOTBQUOBKMR-UHFFFAOYSA-N	379.416	3.796	5	40	GHBB	
CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	7401969	RQZFJWSTQHGIJO-UHFFFAOYSA-N	382.203	3.612	5	40	GHBB	
CCCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O	409237657	AWFPIXAIDXGCCD-NTEUORMPSA-N	375.768	3.811	5	40	GHBB	
COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1OC	57681917	PLJQMPUCOUFXIZ-UHFFFAOYSA-N	391.855	3.588	5	40	GHBB	
O=C(Oc1cc(=O)n(-c2ccccc2)c2c1CCCC2)c1ccc([N+](=O)[O-])cc1	707777	RYWMHLWHZNXVIO-UHFFFAOYSA-N	390.395	3.844	5	40	GHBB	
O=[N+]([O-])c1ccc([C@@H](O)CNc2nc(-c3ccncc3)nc3ccccc23)cc1	25677231	ACNBEYMCLJWXBX-IBGZPJMESA-N	387.399	3.746	5	40	GHBB	
COc1ccc(OCC(=O)Nc2ccccc2SC(F)F)c([N+](=O)[O-])c1	8754635	XHOAYGDMKKRNRY-UHFFFAOYSA-N	384.360	3.936	5	40	GHBB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1	7342080	QOKZYASZEMRVPP-UHFFFAOYSA-N	382.445	3.772	5	40	GHBB	
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	217892164	JJMYIENOVMNFNT-MDZDMXLPSA-N	398.806	3.970	5	40	GHBB	
COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	4581113	WKURPDHRQUYNIM-SNVBAGLBSA-N	393.779	3.694	5	40	GHBB	
O=c1c2ccccc2c(=O)c2c1c(NCCCO)cc1oc3ccccc3[nH]c12	4575614	RXTDWJKWZLCIKD-UHFFFAOYSA-N	386.407	3.735	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CSc3nc4cc(F)c(F)cc4[nH]3)c1)OCOC2	42656234	VPGNAKQOKBPIRQ-UHFFFAOYSA-N	379.344	3.908	5	40	GHBB	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1	55124253	SVLATOVIAYBOOK-UHFFFAOYSA-N	381.432	3.895	5	40	GHBB	
COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	4581111	WKURPDHRQUYNIM-JTQLQIEISA-N	393.779	3.694	5	40	GHBB	
C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1	7813748	JJJQYUVUZPEDGQ-MRVPVSSYSA-N	398.202	3.668	5	40	GHBB	
COc1ccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1	408528399	DYOXKFYZCCPBHN-BJMVGYQFSA-N	376.372	3.712	5	40	GHBB	
O=C(N[C@H]1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	9871525	KROZQXSFKXISQI-VQTJNVASSA-N	387.395	3.743	5	40	GHBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cccc3ccccc13)[C@@H]1CCCN12	408566848	PMPHGFYWKQPESJ-YCSHWKNNSA-N	399.450	3.894	5	40	GHBB	
CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1nc2ccccc2s1	47406685	CMNCMNWJMZLCFS-UHFFFAOYSA-N	381.417	3.887	5	40	GHBB	
CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	2068915	FXSPZTUWLILFTN-UHFFFAOYSA-N	387.348	3.712	5	40	GHBB	
O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1	6251401	UGOHWLIXUZRBNK-UHFFFAOYSA-N	383.187	3.626	5	40	GHBB	
CNc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-]	5898463	WFSUJCFPVVRIPF-SNVBAGLBSA-N	378.226	3.890	5	40	GHBB	
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1	4305026	SRQNPSISFSAWKP-LJQANCHMSA-N	377.400	3.722	5	40	GHBB	
O=c1cccc2n1C[C@@H]1C[C@@H]2CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1	2119035	MPANFRBATGWFFA-NVXWUHKLSA-N	391.427	3.636	5	40	GHBB	
COc1ccc(CSc2nc3c(OC)ccc(OC)c3[nH]2)cc1[N+](=O)[O-]	12371412	GXARLIJRCJWHOZ-UHFFFAOYSA-N	375.406	3.789	5	40	GHBB	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1C	10903739	FGFQZEAIRXLPFW-UHFFFAOYSA-N	378.432	3.695	5	40	GHBB	
CCNc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-]	4703729	USJYWAYJQVVAGG-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
Cc1nc(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1	5939434	LZGQZTXQSXEZGJ-UHFFFAOYSA-N	375.328	3.534	5	40	GHBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])OCc1nc(-c2cccs2)no1	7372406	UBUCSJJUWWLODW-UHFFFAOYSA-N	388.405	3.642	5	40	GHBB	
O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Cl)cc1	409168790	SVWVPFOOPWTPOH-WUXMJOGZSA-N	394.170	3.705	5	40	GHBB	
CNc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-]	5898458	WFSUJCFPVVRIPF-JTQLQIEISA-N	378.226	3.890	5	40	GHBB	
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	8449040	DZSCLXHWVXTJHI-ZDUSSCGKSA-N	384.388	3.618	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)c1	17180046	SOKASIUISDQXSB-FQEVSTJZSA-N	386.859	3.899	5	40	GHBB	
O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1	878037	FGBRYTXFDYPNBH-UHFFFAOYSA-N	398.213	3.623	5	40	GHBB	
COc1cc(NC(=O)COC(=O)c2oc3ccccc3c2C)c(C)cc1[N+](=O)[O-]	4581884	ZGODRWKPHCZCLD-UHFFFAOYSA-N	398.371	3.762	5	40	GHBB	
O=[N+]([O-])c1cccnc1Sc1nnc2c(Cl)cc(C(F)(F)F)cn12	5688412	ZGUXYKLWNLZYKV-UHFFFAOYSA-N	375.719	3.856	5	40	GHBB	
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1c2ccccc2C[C@H]1C	5852251	UUINLLDYCFWQFS-VXGBXAGGSA-N	388.807	3.771	5	40	GHBB	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl	7706188	MPIQASROOPJYLB-GFCCVEGCSA-N	385.811	3.662	5	40	GHBB	
O=C(NCCNc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Br)c1	5172294	USAZZJZEWMFXCB-UHFFFAOYSA-N	398.644	3.853	5	40	GHBB	
COc1cc([C@H](C[N+](=O)[O-])Sc2ccccc2C(=O)O)cc(OC)c1OC	1448647	YAANMBNOZZLSMJ-INIZCTEOSA-N	393.417	3.521	5	40	GHBB	
C[C@@H](SCc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)O	25106688	NEQUIIHUSLAORW-SNVBAGLBSA-N	375.381	3.779	5	40	GHBB	
COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2)cc1	12979846	HJMOVZIKEUVOEY-FQEVSTJZSA-N	378.384	3.828	5	40	GHBB	
Cc1ccc2[nH]c3c(cc(NCCN)c4c(=O)c5ccccc5c(=O)c43)oc2c1	4188940	KTAXHTCRNBLUTF-UHFFFAOYSA-N	385.423	3.620	5	40	GHBB	
C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	6470873	MBHDDPCSKAEFIA-QMMMGPOBSA-N	384.722	3.710	5	40	GHBB	
CCC1(CC)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1	225767277	QGDGQGWJXNXEKN-KRWDZBQOSA-N	390.461	3.956	5	40	GHBB	
CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1	224965044	OSKQGYFLMWUMMP-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
CCOc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1	20496027	YBZJEXNXVTUQNL-LFYBBSHMSA-N	380.360	3.695	5	40	GHBB	
O=[N+]([O-])c1ccc([C@@H](O)CNc2nc(C(F)(F)F)nc3ccccc23)cc1	9605034	NZACQNDOAHRGCM-AWEZNQCLSA-N	378.310	3.702	5	40	GHBB	
COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)c1	5177017	JVHJGSTTZARFCY-UHFFFAOYSA-N	396.407	3.780	5	40	GHBB	
Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1	4837297	HTRPRRUTXIRFCG-QGOAFFKASA-N	391.383	3.906	5	40	GHBB	
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	24394704	DGNXFNUWKKYIOY-ZHACJKMWSA-N	376.416	3.511	5	40	GHBB	
Cc1ccc(NC(=O)[C@H](Sc2nncn2C)c2ccccc2)c([N+](=O)[O-])c1	5118685	IZFCHCNDQZCBFZ-MRXNPFEDSA-N	383.433	3.504	5	40	GHBB	
Cc1ccc2cc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c(Cl)nc2c1	8324668	XQNTWTDEHHMAEO-UHFFFAOYSA-N	381.775	3.901	5	40	GHBB	
C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2	109010079	QKIPPCCRIMWCOB-UHXUPSOCSA-N	375.450	3.769	5	40	GHBB	
Cc1ccc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	24418514	FUTJMEKKOUHDOZ-UHFFFAOYSA-N	382.416	3.546	5	40	GHBB	
O=C(O)c1cc(-c2cccc(O)c2)nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c12	20492296	AAUCGRGCFTWWTR-UHFFFAOYSA-N	376.328	3.604	5	40	GHBB	
CNc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-]	24102829	NRBHZDXLZGRGLK-IBGZPJMESA-N	378.388	3.996	5	40	GHBB	
COc1ccccc1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	34803614	ZXIWCRHZTLVZEY-QFBILLFUSA-N	381.432	3.773	5	40	GHBB	
CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7984342	VJIMZGJAGIVEHT-UHFFFAOYSA-N	399.344	3.895	5	40	GHBB	
COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(CO)o1	20137268	PYWGSRFOJXVNCO-UHFFFAOYSA-N	382.372	3.537	5	40	GHBB	
COC[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1	8229862	KYKIQEWIRMIZCX-LLVKDONJSA-N	394.811	3.814	5	40	GHBB	
Cc1c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cccc1[N+](=O)[O-]	223663332	YRVJJUSZWADRRI-UHFFFAOYSA-N	376.434	3.808	5	40	GHBB	
CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1cccc([N+](=O)[O-])c1	575444544	XPLXVSSFSJVCGP-QGZVFWFLSA-N	395.444	3.956	5	40	GHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2ccccc2)c1=O	4940338	FCOSJOACNJYNAR-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1	3231739	ULASOTNNORNFRI-UHFFFAOYSA-N	387.150	3.836	5	40	GHBB	
CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	26780260	RHZLGHADLCQGGN-IBGZPJMESA-N	394.431	3.732	5	40	GHBB	
COc1ccccc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	4498770	DIEVNKNNXOYEFQ-UHFFFAOYSA-N	381.354	3.949	5	40	GHBB	
COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1	12799310	SHLJIZQGTDYFBY-SFHVURJKSA-N	390.461	3.746	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C1	5067677	YXEZSGUHVDQCGP-GHMZBOCLSA-N	376.848	3.846	5	40	GHBB	
O=[N+]([O-])c1ccc2[nH]c(CCCCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1	5005597	WHFWYIBXGBGXFO-UHFFFAOYSA-N	380.364	3.821	5	40	GHBB	
O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccn1	6996068	VZPJSHFFAWUPMW-ZDUSSCGKSA-N	389.626	3.528	5	40	GHBB	
Cc1c(C(=O)Nc2cccc(I)c2)cccc1[N+](=O)[O-]	4691552	CMYDGZPONDUOJX-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1	5517342	UYNWHGNOPMSVSM-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
O=[N+]([O-])c1ccccc1OCc1nc2c3c4c(sc3ncn2n1)CCCC4	2787836	YNSXICIOXXQRSE-UHFFFAOYSA-N	381.417	3.705	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1	6449887	AKHWOBUAQGCBKL-UHFFFAOYSA-N	388.380	3.823	5	40	GHBB	
Cc1cc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)n1CC(F)(F)F	3451068	JGLTULNIDOKPPG-UHFFFAOYSA-N	384.310	3.615	5	40	GHBB	
Cc1[nH]c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2c1C	5937642	PKQXTTDHZFMCEQ-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1	17080508	UIMHJXKZSBKDFD-WUXMJOGZSA-N	394.206	3.756	5	40	GHBB	
COCCCn1c(SCc2cccc([N+](=O)[O-])c2C)nc2ccccc2c1=O	40123081	OCEPTRVRDKWCGP-UHFFFAOYSA-N	399.472	3.942	5	40	GHBB	
COC(=O)c1ccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	7127751	QWFSXQHIHKXDAW-UHFFFAOYSA-N	386.404	3.696	5	40	GHBB	
COc1ccc(NC(=O)CCN2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1	48252745	ULBUZDUNSYWQAI-INIZCTEOSA-N	375.450	3.831	5	40	GHBB	
Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	4678291	KAMZAKQEWKPMOQ-UHFFFAOYSA-N	391.214	3.976	5	40	GHBB	
COCCOCCN(Cc1ccccc1)c1ccc2ncccc2c1[N+](=O)[O-]	83911743	CTQPHHRWWBZXNN-UHFFFAOYSA-N	381.432	3.813	5	40	GHBB	
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/C1=Cc2cc(Cl)ccc2OC1	96935620	NKCBRFUPZOMMBW-FRKPEAEDSA-N	382.759	3.912	5	40	GHBB	
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCCC2	4134790	GAICBJARUUJRBL-UHFFFAOYSA-N	378.406	3.947	5	40	GHBB	
O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1Cl	20142935	YZUFDXZZWOYWMO-UHFFFAOYSA-N	389.795	3.799	5	40	GHBB	
Cc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-]	10902089	JTTKMUCVLSGKMQ-UHFFFAOYSA-N	378.432	3.695	5	40	GHBB	
COc1ccc(OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c([N+](=O)[O-])c1	6602818	ZUZKNBDJLYXJBP-UHFFFAOYSA-N	384.388	3.925	5	40	GHBB	
CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	6624554	YVDCKTSEMRWXNJ-AWEZNQCLSA-N	399.450	3.884	5	40	GHBB	biogenic
O=C1c2ccccc2O[C@H](c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	6719589	ARAYCDPOKGBPRQ-HXUWFJFHSA-N	388.379	3.898	5	40	GHBB	
Cc1nn([C@@H](C)C(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-]	8983955	KMRQZUCJFWFTRG-VIFPVBQESA-N	385.193	3.509	5	40	GHBB	
O=C(Nc1ncnc2sc3c(c12)CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	9502466	QCIJFUBAYXBKCA-UHFFFAOYSA-N	399.388	3.639	5	40	GHBB	
Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1	24770841	XEVDJQVKZUICPF-UHFFFAOYSA-N	381.339	3.955	5	40	GHBB	
O=C(Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)c1ccco1)c1ccco1	5614201	IIWKQMIBORCFNX-UHFFFAOYSA-N	383.341	3.752	5	40	GHBB	
CCc1ccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	26943074	POFUIYFOHRBYKG-MAUKXSAKSA-N	395.459	3.730	5	40	GHBB	
O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1	408629105	ZJGSYFPFWSSZSF-UHFFFAOYSA-N	398.213	3.623	5	40	GHBB	
Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Br	3876420	JFRKUBZGITYHGA-UHFFFAOYSA-N	385.239	3.775	5	40	GHBB	
Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1	217897743	SFZJKSDMLKGZPL-DHZHZOJOSA-N	378.388	3.625	5	40	GHBB	
Cc1nn(CC(=O)NCc2cccc(Oc3ccccc3)c2)c(C)c1[N+](=O)[O-]	32362141	DVGIWFNMPLFGNV-UHFFFAOYSA-N	380.404	3.517	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1	69371316	GFKWEHBYOULRHP-SFHVURJKSA-N	388.427	4.000	5	40	GHBB	
CCOc1ccc(CC(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1	7614596	SIXKDNFHGOQYHD-UHFFFAOYSA-N	387.417	3.793	5	40	GHBB	
O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl	6505564	TUNRQAIYAOMAHI-UHFFFAOYSA-N	393.896	3.821	5	40	GHBB	
C[C@H](Oc1ccccc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	32829644	RVKBTHNYLSJWNW-OLZOCXBDSA-N	383.360	3.717	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C)cc3C)nc12	10010660	QFJYSMKVRGFDHQ-UHFFFAOYSA-N	387.417	3.847	5	40	GHBB	
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	20154240	PCZYXZBKZNVMPW-UHFFFAOYSA-N	395.246	3.564	5	40	GHBB	
Cc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1[N+](=O)[O-]	32871784	ITZYZJVMVJLVIO-UHFFFAOYSA-N	377.404	3.699	5	40	GHBB	
O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1	4985924	OXYMKRAHJBDMPW-UHFFFAOYSA-N	381.388	3.581	5	40	GHBB	
COc1cc2c(cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C)CCCC2	224155558	YVHGMYJUVWBSNO-UHFFFAOYSA-N	376.434	3.591	5	40	GHBB	
COCCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1	12044781	BBFOXRUFTODJGC-UHFFFAOYSA-N	384.461	3.716	5	40	GHBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1	20142504	RBEPJBRDUZEDLD-UHFFFAOYSA-N	398.371	3.617	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3cccs3)nc21	2353080	DQTKMQFSJFHPEB-UHFFFAOYSA-N	389.436	3.618	5	40	GHBB	
Cc1ccccc1/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1N1CCOCC1	22762198	GPWQIYPOPDHRLF-MRCUWXFGSA-N	396.472	3.634	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1ccc(Cl)cc1	6552031	WWKLAKAUQNLFRI-UHFFFAOYSA-N	381.841	3.776	5	40	GHBB	
C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1	5559359	YUIBKHASVQGAIY-LBPRGKRZSA-N	397.412	3.902	5	40	GHBB	
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCOc1ccc(F)cc1	15101610	SNKXTQQHIKNINH-CYBMUJFWSA-N	386.383	3.856	5	40	GHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1	408627991	PDEJRRQZMIISHC-UHFFFAOYSA-N	398.488	3.939	5	40	GHBB	
CO[C@H](COC[C@@H](OC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	604938975	DGVDSTVGIBQGTI-QZTJIDSGSA-N	376.365	3.595	5	40	GHBB	
O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1	860669	UQWRVETVPYIPAA-OAHLLOKOSA-N	384.866	3.685	5	40	GHBB	
CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	7929166	YBMFFQBNBMPDAO-AWEZNQCLSA-N	382.416	3.851	5	40	GHBB	
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(O)cc1	850640	HXSOZEPWPTVYBO-UHFFFAOYSA-N	376.324	3.893	5	40	GHBB	
CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1	109024250	ZEMKKDHWFVLGOV-ATVHPVEESA-N	380.356	3.506	5	40	GHBB	
CNc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-]	12632940	AMFTYGREJQJYAU-UHFFFAOYSA-N	396.428	3.947	5	40	GHBB	
O=C(Nn1cnc2ccccc21)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	27033250	INFIIMOZMJIPLG-UHFFFAOYSA-N	379.420	3.709	5	40	GHBB	
CN1CCC(N(C)C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1	58147822	RHHGXRMBCPCNMK-OAQYLSRUSA-N	386.471	3.913	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)O[C@H](C)C2	10346536	QTRRTWWOBWLZMW-CYBMUJFWSA-N	386.404	3.643	5	40	GHBB	
Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1Br	4657046	GCTYDARPIXXPGR-UHFFFAOYSA-N	379.210	3.992	5	40	GHBB	
COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nn1	5259560	PIWWEHNZVWNGCA-UHFFFAOYSA-N	384.779	3.966	5	40	GHBB	
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C)CC3)c(O)n2n1	23157579	QCZAPIVZVWZZGH-HNNXBMFYSA-N	387.465	3.534	5	40	GHBB	
CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OCC	7323778	JYMPQYXBTYAHJL-UHFFFAOYSA-N	394.449	3.810	5	40	GHBB	
Cc1ccc(SCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1C	3368883	YMCDFRVXLXTYPS-UHFFFAOYSA-N	389.429	3.914	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)c1cc(C)n(-c2nccs2)c1C	12918949	FMBMEKPPMUUWHK-UHFFFAOYSA-N	387.417	3.729	5	40	GHBB	
CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1	4187780	GUKUHGYUWAYQMY-UHFFFAOYSA-N	396.491	3.902	5	40	GHBB	
Cc1cc(C)cc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1	5270746	CSBKAEMZBCSSTL-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=C(N[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl	10435001	DBLBGYFZSOEVDS-DIQJQSEOSA-N	392.839	3.648	5	40	GHBB	
CN(c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)S(=O)(=O)c1ccccc1	32899378	LTIJAYOESJUKGI-UHFFFAOYSA-N	385.401	3.607	5	40	GHBB	
O=C(c1ccccc1)N1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1	4783922	JIKUNNVXTJLKKH-UHFFFAOYSA-N	394.456	3.681	5	40	GHBB	
CC[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	4870640	PMXYWMSIHNAETL-AWEZNQCLSA-N	376.796	3.924	5	40	GHBB	
O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc([N+](=O)[O-])cc1	8310403	KWTXEYYVLCDWKT-SFHVURJKSA-N	397.431	3.532	5	40	GHBB	
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCn1cc([N+](=O)[O-])cn1	95413199	SBMBQFIFFOPBAU-JTQLQIEISA-N	383.235	3.634	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSc1ccc(Cl)cc1	14401107	OZOLMLZUFSUIQR-UHFFFAOYSA-N	386.882	3.627	5	40	GHBB	
Cc1nc(Nc2ccc(SC(F)F)cc2)nc(N2CCOCC2)c1[N+](=O)[O-]	38488493	STLNKDCNXPCRQB-UHFFFAOYSA-N	397.407	3.588	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)O[C@@H](C)C2	12556216	XAEGBASAJPFITN-LBPRGKRZSA-N	385.420	3.635	5	40	GHBB	
C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2[nH]1	69949654	KJJVRBLROQAIQK-HNNXBMFYSA-N	396.450	3.908	5	40	GHBB	
Nc1nc(NCc2ccc(Cl)cc2)nc(N2CCCCCC2)c1[N+](=O)[O-]	5188739	RCMSHSLEXJQTGT-UHFFFAOYSA-N	376.848	3.613	5	40	GHBB	
Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)C(=O)CCC3	4301847	ZIXJDMCOAIZOQS-UHFFFAOYSA-N	382.401	3.558	5	40	GHBB	
CCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	4526218	WEVYWIWMIQXADU-ATVHPVEESA-N	388.807	3.972	5	40	GHBB	
CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	28043586	GAVDMDNBBIZLOF-UHFFFAOYSA-N	398.868	3.652	5	40	GHBB	
COc1cc(OC)c(C2=CCN(c3ccc([N+](=O)[O-])s3)CC2)c(OC)c1	71817083	KZKWDCMISAUSEA-UHFFFAOYSA-N	376.434	3.976	5	40	GHBB	
Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)OCC(C)C)cc1	33708603	NVGBQHJLDQDHKB-UNOMPAQXSA-N	382.416	3.873	5	40	GHBB	
NC(=O)c1oc2ccccc2c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	4135099	KQXUEBUVFPMPPH-UHFFFAOYSA-N	381.369	3.907	5	40	GHBB	
Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C(=O)O)c1O	20140521	LHZOEMOZFBBVQO-UHFFFAOYSA-N	382.328	3.819	5	40	GHBB	
Cc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)s1	409412470	NHBVMMPQWMGHLZ-UHFFFAOYSA-N	379.250	3.792	5	40	GHBB	
CNc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-]	31562505	LKSWCVDNDKYEPN-LBPRGKRZSA-N	397.410	3.761	5	40	GHBB	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	21556720	BDAUOSJMYCZHHT-UHFFFAOYSA-N	381.354	3.952	5	40	GHBB	
Cc1nc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1	4949839	BYKANHGNZAQZCQ-UHFFFAOYSA-N	375.431	3.828	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	20528730	MWQBGSZIXUFFCB-UHFFFAOYSA-N	396.153	3.526	5	40	GHBB	
O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccnc1	832941	LHINQWHBMNBRJG-CYBMUJFWSA-N	389.626	3.528	5	40	GHBB	
O=[N+]([O-])c1cccc(Nc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])c1	101458482	YGKJNWYYBSXPJM-UHFFFAOYSA-N	397.307	3.688	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	3270284	NEFCHMATYLMLKE-UHFFFAOYSA-N	397.214	3.934	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1	7708306	QJFLNBKMZQHIRR-UHFFFAOYSA-N	377.205	3.711	5	40	GHBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3cccs3)no2)C1	1364502	CLVIJULFIHJESS-GFCCVEGCSA-N	384.417	3.726	5	40	GHBB	
CCOC(=O)C1CCN(Cn2c(=S)sc3cc([N+](=O)[O-])ccc32)CC1	23654101	AFPRSSXEABLTBJ-UHFFFAOYSA-N	381.479	3.573	5	40	GHBB	
C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2	109010083	QKIPPCCRIMWCOB-MNXVOIDGSA-N	375.450	3.769	5	40	GHBB	
Cc1c(O[C@H](C)C(=O)NCc2ccncc2)ccc2c1oc(=O)c1ccccc12	5321654	ZRASUWJTBOVMJZ-OAHLLOKOSA-N	388.423	3.733	5	40	GHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1F	14898747	XTGRNGDOPNFWKE-UHFFFAOYSA-N	382.189	3.937	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2CCCCC2)cc1	7448671	XZIFISZPBYTTML-UHFFFAOYSA-N	383.448	3.519	5	40	GHBB	
CCc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C	409126564	CQKLNBXEJQTVSY-UHFFFAOYSA-N	397.460	3.684	5	40	GHBB	
O=[N+]([O-])c1ccccc1-c1n[nH]c(COc2ccc(Br)cc2)n1	34925946	FGAMDZRLCCZKLM-UHFFFAOYSA-N	375.182	3.721	5	40	GHBB	
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-]	13132569	OLWNCVCXQCBLHB-MHORFTMASA-N	391.374	3.667	5	40	GHBB	
O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)c1cccc([N+](=O)[O-])c1	4356692	JRBHNXALMSNBPV-UHFFFAOYSA-N	395.396	3.756	5	40	GHBB	
C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	7778131	PJCIIXHHHPTWQP-CYBMUJFWSA-N	382.372	3.765	5	40	GHBB	
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	1298573	WXXUHTZKWFZTLX-RUDMXATFSA-N	391.836	3.783	5	40	GHBB	
COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)S3)cc1	1473486	FSQVRDFWONXTDE-HNNXBMFYSA-N	382.401	3.739	5	40	GHBB	
CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1	13778924	VIEGWUBUAFWKPU-UHFFFAOYSA-N	379.416	3.797	5	40	GHBB	
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1	20610134	HKEFHEVCVQDRAQ-UHFFFAOYSA-N	377.360	3.736	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	4622474	UMNBJFXCWKIOBX-AWEZNQCLSA-N	383.187	3.847	5	40	GHBB	
Cc1cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2c2ccccc12	4843543	NRKNDHJHFRJYDO-UHFFFAOYSA-N	393.428	3.830	5	40	GHBB	
C[C@H](OC(=O)c1ccc2nccnc2c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	7179989	KYHIPOPICZWTHK-NSHDSACASA-N	391.343	3.506	5	40	GHBB	
Cc1ccc2c(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cccc2n1	9190346	KIADVWQBLZBEBP-UHFFFAOYSA-N	392.415	3.540	5	40	GHBB	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	79046097	USQDQEIRSRCUKV-UZLBHIALSA-N	382.464	3.969	5	40	GHBB	
CCCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	36397198	FBRLWHKSGZEARX-ZGKFYVQTSA-N	382.416	3.687	5	40	GHBB	
O=C(N[C@@H]1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	9871510	KROZQXSFKXISQI-PMACEKPBSA-N	387.395	3.743	5	40	GHBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1Br	71195819	GEIGNXBPVGTFNW-UHFFFAOYSA-N	382.126	3.707	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)/N=c2/[nH]c(-c3ccc(Cl)cc3)cs2)c1	5582775	SLPKSULAAAEETP-UHFFFAOYSA-N	395.849	3.594	5	40	GHBB	
COc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1	408532585	ZYZWPBWNIIAKKM-UHFFFAOYSA-N	385.763	3.933	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)c1	31903719	SQKVJDISPKXNAW-HNNXBMFYSA-N	384.866	3.685	5	40	GHBB	
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1	44846378	DOSJQQKQJOSRLC-UHFFFAOYSA-N	398.824	3.534	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1	224154404	QNBPSRCWKSHTJH-UHFFFAOYSA-N	392.477	3.558	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(Cl)cc2)c1	1744554	MLFVVCOTBZBZAL-FQEVSTJZSA-N	386.859	3.899	5	40	GHBB	
COCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(C)ccc21	100872346	LVIZLXMPMXLIKT-QCOBJIBASA-N	397.456	3.707	5	40	GHBB	
CCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	2068914	XTUUJOHKSGLHCT-UHFFFAOYSA-N	387.348	3.712	5	40	GHBB	
CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc([N+](=O)[O-])cc1	6265239	OCODTJGXQSVHEI-MEBBXXQBSA-N	376.438	3.633	5	40	GHBB	
CCCn1c(-c2ccc(Cl)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O	5345553	XBXZHLZNMDBSGI-UHFFFAOYSA-N	379.847	3.979	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	33094104	NZXQHGBSDRTHCZ-LBPRGKRZSA-N	398.202	3.738	5	40	GHBB	
O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	95116035	WCVNWYURTBVSDY-NRFANRHFSA-N	392.459	3.758	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1	32806307	MCAQFNFKLHMXED-UHFFFAOYSA-N	391.387	3.837	5	40	GHBB	
COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	1417285	ISMNHRVVQLVDSH-MHWRWJLKSA-N	398.396	3.618	5	40	GHBB	
CCc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	58413093	GIGNVWHEAJGWAF-UHFFFAOYSA-N	389.459	3.941	5	40	GHBB	
COc1cc(C(=O)N(C)Cc2ccc(SC)cc2)c([N+](=O)[O-])cc1OC	12746582	DIWPVXTVLTUSIW-UHFFFAOYSA-N	376.434	3.606	5	40	GHBB	
C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1	3450150	ZMNLDOKHFIMOCG-WDEREUQCSA-N	394.786	3.810	5	40	GHBB	
Cc1ccccc1-c1noc(COC(=O)CCCNc2ccccc2[N+](=O)[O-])n1	7372436	XROUTVYNCKPXTP-UHFFFAOYSA-N	396.403	3.889	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2Cl)no1	217897356	ZMWWWASSZZQXSO-JXMROGBWSA-N	384.779	3.628	5	40	GHBB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)N21	222655019	MZMYRNYFBHJLEY-DOPJRALCSA-N	384.461	3.978	5	40	GHBB	
CCc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1	12796734	UDQPFOJLJRINRN-GOSISDBHSA-N	375.856	3.843	5	40	GHBB	
CN(C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1	6913337	JKLJKVMUQVVKQQ-UHFFFAOYSA-N	380.356	3.675	5	40	GHBB	
C[C@H]1C[C@H](C)CN(c2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])C1	9328374	JHTGQZZYSZYQNJ-QWRGUYRKSA-N	376.848	3.846	5	40	GHBB	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1	20461306	QJMBFLLSONDNLC-SECBINFHSA-N	391.449	3.752	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nnc(-c3cccc(Cl)c3)o2)c2nonc12	408605894	NIKPBLRXEMZHIW-UHFFFAOYSA-N	375.753	3.986	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1	14082300	QTPTYUGMMVXFOR-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1	5860564	QZGNMXUZSAWHGM-UHFFFAOYSA-N	379.372	3.555	5	40	GHBB	
C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	7975253	ZJDGDHYRCAYSAP-NSHDSACASA-N	398.346	3.777	5	40	GHBB	
CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	7594458	BSPLSAMIXYLIAG-UHFFFAOYSA-N	377.400	3.620	5	40	GHBB	
COc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCCCC2)cc1	27793777	WQYOWKTVDIMTDY-NRFANRHFSA-N	397.475	3.951	5	40	GHBB	
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccccc1[N+](=O)[O-]	21868460	WZSQOYWBOUOONP-LBPRGKRZSA-N	392.408	3.538	5	40	GHBB	
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])o1	20611107	RIXYOQIBMYOGKE-UHFFFAOYSA-N	381.323	3.622	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1	9031124	UGOVGVNQOLBFKU-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	14267224	ARJBHVPIDLWUPM-UHFFFAOYSA-N	389.371	3.760	5	40	GHBB	
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1	409124072	IYNIGRPPZBKCNB-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1	40146622	SEHCGUIBIBPVQH-LBPRGKRZSA-N	383.433	3.650	5	40	GHBB	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cccn2-c2cc3c(cc21)OCCO3	225381011	NTIMXHAUHUDKIN-HNNXBMFYSA-N	376.368	3.875	5	40	GHBB	
O=C1c2ccccc2N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N1C[C@H]1CCCO1	584907741	TVIBKVCDTDPARL-OKDAXQKWSA-N	379.416	3.681	5	40	GHBB	
CCOc1ccc(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OCC	15897444	RMVSQZFABGORSK-PKNBQFBNSA-N	384.432	3.764	5	40	GHBB	
Cc1c(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cccc1[N+](=O)[O-]	11667409	QNRPPLQZBIRSDP-UHFFFAOYSA-N	385.361	3.582	5	40	GHBB	
CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1	10231819	ANEZCCRNZMMWSD-UHFFFAOYSA-N	383.448	3.654	5	40	GHBB	
Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	5071714	FCMLWAMUCORHIN-QGZVFWFLSA-N	378.475	3.648	5	40	GHBB	
Cc1ccc(C(=O)C2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)c(C)c1	24457594	NWPFGFXFTJLKHN-UHFFFAOYSA-N	396.443	3.712	5	40	GHBB	
Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-]	408641115	KOGIDBZDSGKGEY-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408647298	WVOCNZSATUKGHD-HNNXBMFYSA-N	375.384	3.740	5	40	GHBB	
COc1cc2c(cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CCCC2	225549296	MAYBFJXWBBKYAU-UHFFFAOYSA-N	396.852	3.936	5	40	GHBB	
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Cl)cc2s1	5567576	PLDYXFYGMISMMV-UHFFFAOYSA-N	377.765	3.808	5	40	GHBB	
O=c1[nH]c(-c2cc3c(cc2[N+](=O)[O-])OCO3)nc2sc3c(c12)CCCCCC3	6553995	CBGNKUJLDUPBJK-UHFFFAOYSA-N	399.428	3.948	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	103718742	TTWAYVWXVRAILT-NSHDSACASA-N	393.321	3.605	5	40	GHBB	
O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1	845456	CUXQAQSPRRZJSK-SFHVURJKSA-N	382.397	3.589	5	40	GHBB	
CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1C(C)C	20034428	BPAHHSKESQWTHC-UHFFFAOYSA-N	377.470	3.677	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1	4349307	YISAVIXLONXTQF-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	15382259	FHCXZIKARQAOPJ-UHFFFAOYSA-N	395.459	3.523	5	40	GHBB	
Cc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cccc1[N+](=O)[O-]	12933495	NIBSZHUVQIYMPA-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
Cc1ccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)c(=O)[nH]c2c1	13770504	LYUVDBYTLJKAPL-UHFFFAOYSA-N	379.416	3.796	5	40	GHBB	
CCN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224747367	FCSIMUZTPGHSED-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
COc1ccc(NNc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1	5394131	TWPYEVQMYLWXOQ-UHFFFAOYSA-N	380.408	3.909	5	40	GHBB	
CN(Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1	31767652	HCZUCHDFGOVAHR-UHFFFAOYSA-N	380.400	3.816	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(/C=C/c2ccccc2OCc2ccc(F)cc2)nc1O	409348279	RWNNXAGBPXLTQQ-JXMROGBWSA-N	383.335	3.685	5	40	GHBB	
O=C(c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)N1CCOCC1	4064508	MMTZIARIAZSIGX-UHFFFAOYSA-N	395.337	3.830	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)O[C@H](C)C2	5406561	WWQRAQTWMGGHAK-LLVKDONJSA-N	390.823	3.900	5	40	GHBB	
C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	47357412	ZSRIAVXVRKKWAN-KRWDZBQOSA-N	393.321	3.581	5	40	GHBB	
COC(=O)c1c(-c2ccccc2)[nH]c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OC	970144	LLVZYWPAXIZWDA-UHFFFAOYSA-N	380.356	3.830	5	40	GHBB	
CCc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1	3412933	SIDJIRWDZPIUEI-UHFFFAOYSA-N	383.433	3.689	5	40	GHBB	
CC(C)(C)c1ccc(OCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	7187190	IQFYLMHYOBMMHV-UHFFFAOYSA-N	392.477	3.787	5	40	GHBB	
CCC(CC)N(CCOC)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	32915694	CQODCKPEUBCEJI-UHFFFAOYSA-N	377.485	3.862	5	40	GHBB	
NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1	44087600	MNOWCIMMCLBKPB-UHFFFAOYSA-N	388.836	3.678	5	40	GHBB	
Cc1c(-c2ccc(C(=O)n3cc(C(N)=O)c4ccccc43)o2)cccc1[N+](=O)[O-]	226768274	KTDSMGHFMTWGHW-UHFFFAOYSA-N	389.367	3.905	5	40	GHBB	
COCCNc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1[N+](=O)[O-]	10377275	YPRCSBJPCZGJCN-KRWDZBQOSA-N	377.466	3.842	5	40	GHBB	
C[C@@H]1CN(c2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1	56326263	FZMZSKGNZGUDQB-CHWSQXEVSA-N	388.399	3.992	5	40	GHBB	
O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	2273014	HEATYLXLGBCDIX-INIZCTEOSA-N	377.400	3.719	5	40	GHBB	
CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc([N+](=O)[O-])cc1	6265233	OCODTJGXQSVHEI-BMIGLBTASA-N	376.438	3.633	5	40	GHBB	
O=c1[nH]c(O)nc(/C=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-]	32689358	OVZHIMFEHXCLTH-YHYXMXQVSA-N	399.790	3.787	5	40	GHBB	
O=C1N/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1	409340421	WWWJSDCCRIMSDZ-NSIKDUERSA-N	392.198	3.995	5	40	GHBB	
CC(C)CC(=O)Nc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1	40070163	NAHYKOTZUZMQLR-UHFFFAOYSA-N	381.392	3.708	5	40	GHBB	
Cc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2cccc([N+](=O)[O-])c2)c1	714642	RRKPYBHZMITUBD-KRWDZBQOSA-N	393.321	3.513	5	40	GHBB	
CCOC(=O)C1CCN(Cn2c3ccccc3c3nc4ccccc4nc32)CC1	226758447	CTUIJGSILNHTSH-UHFFFAOYSA-N	388.471	3.970	5	40	GHBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1cccs1	6241222	NSPSNSDVLOUKLS-UHFFFAOYSA-N	394.364	3.676	5	40	GHBB	
COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Br	6847687	HISUVTWXJODYCL-UHFFFAOYSA-N	381.182	3.627	5	40	GHBB	
COc1cc(OC)c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC	10900465	GTDAQCVKHOWMKK-UHFFFAOYSA-N	394.811	3.546	5	40	GHBB	
Cc1nn(CC(=O)N(C)[C@@H](C)c2cccc(-c3ccncc3)c2)c(C)c1[N+](=O)[O-]	72295517	BNNBZFDUSLBAQH-HNNXBMFYSA-N	393.447	3.690	5	40	GHBB	
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)nc2c1C(=O)CC(C)(C)C2	20633889	MXKRDFFNAPEJFU-UHFFFAOYSA-N	388.811	3.754	5	40	GHBB	
CCOC(=O)c1cc(C(=O)N[C@H](c2cccs2)C(C)C)cc([N+](=O)[O-])c1	7121128	CNTPDBSRXXITPT-INIZCTEOSA-N	376.434	3.960	5	40	GHBB	
Cc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-]	13672144	HCFBESJBFYGZSZ-UHFFFAOYSA-N	392.477	3.602	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)CSc3ccccc3)nc12	4496615	ILZHMGRRZLONQB-UHFFFAOYSA-N	375.431	3.944	5	40	GHBB	
C[C@H]1CCCC[C@@H]1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7526239	SFIHPIFGKVQJAY-ONGXEEELSA-N	376.404	3.983	5	40	GHBB	
COc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c(OC)c1OC	21837226	QOMAZQGJIXYQNN-NSHDSACASA-N	392.383	3.593	5	40	GHBB	
O=C1/C(=C/c2csc([N+](=O)[O-])c2)N=C(S)N1Cc1ccccc1Cl	48374139	SVNXYUPJYLRDRS-XGICHPGQSA-N	379.850	3.979	5	40	GHBB	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	96012036	GZVCVMAOKADFPK-RDJZCZTQSA-N	388.489	3.875	5	40	GHBB	
CCCCc1noc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1	58161903	MPZNDXVIFSQDIL-UHFFFAOYSA-N	395.257	3.641	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	12781067	CFTLSRFMVJXDCG-YPHWWSSASA-N	380.400	3.743	5	40	GHBB	
CCOc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1	5031152	ILDJFMOHKRDJRP-CHWSQXEVSA-N	386.456	3.592	5	40	GHBB	
Cc1nn(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-]	8542183	YRITVUGDQNOROI-SFHVURJKSA-N	392.415	3.575	5	40	GHBB	
COc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1[N+](=O)[O-]	10899324	QQIATGAYYOPCBO-UHFFFAOYSA-N	383.448	3.866	5	40	GHBB	
CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	5276187	FODMUZXEMOEGDM-GRCBOLBRSA-N	387.436	3.591	5	40	GHBB	
Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4840489	NXNODTTYFRMCBL-UHFFFAOYSA-N	397.431	3.607	5	40	GHBB	
CC1(C)c2ccccc2N(CCC(=O)O)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2	3649778	MHCGTEBQHSVRDP-OAQYLSRUSA-N	380.400	3.969	5	40	GHBB	
Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)O)c1O	20145096	VNRUWGOHFBRWIQ-HWKANZROSA-N	376.752	3.612	5	40	GHBB	
CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(C(F)(F)F)cc1	95972122	ZWQOIOWWPKYMAX-SJLPKXTDSA-N	396.365	3.785	5	40	GHBB	
C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc1c32	101078594	CVDJFYZWFCQATA-SNVBAGLBSA-N	385.807	3.897	5	40	GHBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc([N+](=O)[O-])c1	2060574	DKHWWTFSDOPGPE-UHFFFAOYSA-N	390.402	3.844	5	40	GHBB	
O=[N+]([O-])c1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1	95080975	JPMOPCKFEUDMMY-UHFFFAOYSA-N	376.254	3.680	5	40	GHBB	
CCOc1c(Cl)cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC	48364456	HACSQIUBBSVOSH-UHFFFAOYSA-N	378.812	3.894	5	40	GHBB	
O=C1c2ccccc2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C[C@@H]1CCCO1	12561377	XAXIDWADNUKHOR-SCLBCKFNSA-N	387.823	3.994	5	40	GHBB	
Cc1ccc(C)n1C1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1	65475792	JCYGNLQCVLDQPK-UHFFFAOYSA-N	380.448	3.832	5	40	GHBB	
O=C(OCC1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])c(Cl)c1	95945389	MBJGYFKTDCMNRL-UHFFFAOYSA-N	380.750	3.679	5	40	GHBB	
Cc1ccc(C)c(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1	5270741	XCCPKFRCMDLPPW-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1[N+](=O)[O-]	6251750	RRIYTOFDTBNMRE-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(C)c1I	57315673	DMGUAFWTUBBAST-UHFFFAOYSA-N	386.145	3.662	5	40	GHBB	
CCOc1ccc(Nc2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])cc1	5101089	UMSGJWQNNWEGMI-UHFFFAOYSA-N	380.408	3.877	5	40	GHBB	
CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc([N+](=O)[O-])c1	6263739	NGNNQWFIDXYJBW-OAHLLOKOSA-N	376.438	3.870	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nc(CCNc3cccc(Br)c3)n[nH]2)cc1	64873672	ODRZSPNKKFHJEF-UHFFFAOYSA-N	388.225	3.797	5	40	GHBB	
COc1cccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c1OC	1302565	VLNAAOCBTKFLDT-ZSOIEALJSA-N	388.763	3.610	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-]	12652735	KPBRUQVVGZWXMK-JOQOYGCGSA-N	393.436	3.764	5	40	GHBB	
C[C@](O)(Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1)[C@@H]1C[C@H]2C=C[C@H]1C2	100082818	HFZJXUAWTSUNJP-MJJCUKRNSA-N	398.459	3.683	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C2CCCCC2)n1C	793568	AQTMAMMKNXJZSE-UHFFFAOYSA-N	389.481	3.810	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)c2csc3c2CC[C@H](C)C3)cc1[N+](=O)[O-]	2642901	KRRHSORJUCDCGA-NSHDSACASA-N	388.445	3.885	5	40	GHBB	
CC(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1	20611861	SBBQYGFUPSPJEU-UHFFFAOYSA-N	399.447	3.572	5	40	GHBB	
O=c1[nH]c(CSc2nc3ccc([N+](=O)[O-])cc3s2)nc2ccsc12	5643658	RMSHZWCYDRQYBW-UHFFFAOYSA-N	376.444	3.795	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2ncn(CN(Cc3ccccc3)CC(F)(F)F)n2)c1	48343047	HODOFQXEJZCRKF-UHFFFAOYSA-N	391.353	3.875	5	40	GHBB	
CCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C	225872748	RAJNQMQSUWLWGQ-UHFFFAOYSA-N	399.447	3.774	5	40	GHBB	
O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	100202123	MMYNYORRYFMDRU-UHFFFAOYSA-N	381.732	3.589	5	40	GHBB	
Cc1c(CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)cccc1[N+](=O)[O-]	59010303	KXSSQFQPXLRGHO-OAQYLSRUSA-N	381.432	3.994	5	40	GHBB	
Cc1ccc2c(c1)C(=O)N(CCCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C2=O	27917982	RLFJVWHTWGJGGM-AWEZNQCLSA-N	396.399	3.584	5	40	GHBB	
CCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C	32759701	GCUOYOWQBIJARB-UHFFFAOYSA-N	391.449	3.669	5	40	GHBB	
Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	408627819	OAJYNXNRFBZWQH-UHFFFAOYSA-N	398.488	3.939	5	40	GHBB	
COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1	32753921	BBRRTHIRSNLMRQ-LBPRGKRZSA-N	382.372	3.961	5	40	GHBB	
Cc1cc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1	12751439	YULDYHLBHXBXME-INIZCTEOSA-N	393.447	3.720	5	40	GHBB	
COc1cc(C(=O)OCc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC	3498566	VJQPIAHQDJNVDO-UHFFFAOYSA-N	385.294	3.988	5	40	GHBB	
COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1	7814056	LYNQRNWVJVUBCD-UHFFFAOYSA-N	375.406	3.536	5	40	GHBB	
CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2cccs2)c([N+](=O)[O-])c1	7981066	WIBSLGCXZXPXKL-GFCCVEGCSA-N	383.495	3.860	5	40	GHBB	
Cc1cccc(Cc2cnc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)s2)c1	32722454	PMTDHQFGWAQBJY-UHFFFAOYSA-N	397.412	3.932	5	40	GHBB	
CCN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224744162	HOBXSUBWKCNQQT-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
COc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC	40112894	SYOVWZOJNNWUMZ-ZDUSSCGKSA-N	388.420	3.890	5	40	GHBB	
O=C(Nc1ccccc1O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	12564774	TYCGIWARCGSMSD-UHFFFAOYSA-N	375.812	3.809	5	40	GHBB	
COc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(C)C	10542673	FVSKMBDJMCHWDK-UHFFFAOYSA-N	378.812	3.974	5	40	GHBB	
CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C	4977809	FCIYCTDCNNFYMT-UHFFFAOYSA-N	393.399	3.809	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc([N+](=O)[O-])c1	14409814	GYPBQKTXSVBNGO-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1O	205680681	MXYVJJQIWVCEDV-CXUHLZMHSA-N	386.385	3.546	5	40	GHBB	
O=C1c2ccccc2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C[C@H]1CCCO1	12561379	XAXIDWADNUKHOR-FZKQIMNGSA-N	387.823	3.994	5	40	GHBB	
Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncccc1[N+](=O)[O-]	1405165	BKPOJADJSIYXAS-UHFFFAOYSA-N	389.770	3.821	5	40	GHBB	
CCCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1CC	20033970	JMNLCHPRGJWOFK-UHFFFAOYSA-N	383.861	3.543	5	40	GHBB	
CCN1CCc2c(sc3c2C(O)=N[C@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1	4556329	FYGXEEBELLWOCP-WLMCBFPDSA-N	384.461	3.804	5	40	GHBB	
COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1	9983264	UACHLWBNHRQIQY-NYYWCZLTSA-N	394.427	3.738	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(/C=C\c2cccc(OCc3ccccc3F)c2)nc1O	409340348	VQUJYICADCMDOE-HJWRWDBZSA-N	383.335	3.685	5	40	GHBB	
Cc1[nH]nc(O)c1C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(O)n[nH]c1C	14134620	AGFZTNOFPRDRAQ-UHFFFAOYSA-N	395.375	3.509	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(Oc2ccccc2)c1	40110659	LPBLCUJVQKZJJM-UHFFFAOYSA-N	378.388	3.754	5	40	GHBB	
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccco1	13614781	SWMMDNGDXNRIEH-UHFFFAOYSA-N	396.315	3.601	5	40	GHBB	
Cc1cc(NC(=O)CSc2nncn2-c2ccccc2)c([N+](=O)[O-])cc1C	6551979	VUQIEXUSXAJGRL-UHFFFAOYSA-N	383.433	3.523	5	40	GHBB	
C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1	8747039	IOGWPIABRUOCNY-LBPRGKRZSA-N	376.438	3.580	5	40	GHBB	
CCCc1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	223409027	IJJLMFPDRFBJEG-UHFFFAOYSA-N	388.489	3.976	5	40	GHBB	
CCN(c1ccc(Br)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225073473	DBAJDDFBIRVBIJ-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1NCc1ccc(OC)cc1	20405765	AORJUIGPXYLSSW-UHFFFAOYSA-N	381.388	3.940	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C2CC2)nn1-c1ccccc1	24770000	IYFXNFVCDDGPPA-UHFFFAOYSA-N	378.388	3.675	5	40	GHBB	
O=C(Nc1ccc(F)cc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	45990342	RZQIATSTSIADDD-UHFFFAOYSA-N	384.117	3.657	5	40	GHBB	
CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cc([N+](=O)[O-])ccc1Cl	5249712	LNWQYDHWSKWGOQ-XTXLJPNXSA-N	383.835	3.885	5	40	GHBB	
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)N2CCCCC2)cc1	6865311	HFSANJYQBLWOHL-MRXNPFEDSA-N	389.477	3.622	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Nc1ccc2nc(C)sc2c1	9338707	JQAPBIGEEFSWLM-SNVBAGLBSA-N	386.433	3.961	5	40	GHBB	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1	5210721	FCFYUMYEWFRWJI-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1)c1cccc(C)c1C	12951989	BMCPXFBWHWCDMG-UHFFFAOYSA-N	398.444	3.563	5	40	GHBB	
CC(C)CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	4379903	UETDZKGQKOQSCG-UHFFFAOYSA-N	382.372	3.598	5	40	GHBB	
O=C1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2N1	30836036	HDNPPVUGDLQXEV-UHFFFAOYSA-N	399.712	3.866	5	40	GHBB	
CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2ccsc2c1=O	40127891	HMPMDOYUSCHZJO-UHFFFAOYSA-N	377.447	3.557	5	40	GHBB	
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	6441663	YGMZRDLJMQNQBQ-UHFFFAOYSA-N	381.344	3.701	5	40	GHBB	
COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc([N+](=O)[O-])c1O	35587894	LFJKGYUSKFCMER-IZZDOVSWSA-N	399.790	3.617	5	40	GHBB	
N#CN(Cc1cccc(C(=O)NCc2ccco2)c1)c1ccc(F)c([N+](=O)[O-])c1	72307068	HMKOKLXMBLNOJY-UHFFFAOYSA-N	394.362	3.745	5	40	GHBB	
COc1ccc(-c2cc(COC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)on2)cc1	11235262	CFSFEFSUZKBNSI-UHFFFAOYSA-N	397.387	3.681	5	40	GHBB	
Cc1cc(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)oc1ccccc12	4326537	XZKDGTWGTSBDNN-ZIAGYGMSSA-N	379.460	3.566	5	40	GHBB	
O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)c1cccs1	5167757	WFCMKLAPBKWQNR-UHFFFAOYSA-N	397.441	3.736	5	40	GHBB	
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cccc([N+](=O)[O-])c1	12554327	PNTZJDAJTHTUDA-CYBMUJFWSA-N	393.490	3.628	5	40	GHBB	
O=C(Nc1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1	2117854	PMLJQGHTOJLYSY-UHFFFAOYSA-N	398.396	3.615	5	40	GHBB	
CCn1c2ccccc2c2cc(NC(=O)Cn3cc([N+](=O)[O-])nc3C)ccc21	58416563	LVTOUZVWSIAHFL-UHFFFAOYSA-N	377.404	3.866	5	40	GHBB	
COc1ccc(OC)c(CNCc2ccc([N+](=O)[O-])c(OC)c2OC(F)F)c1	48365226	NVFCVUUEZWSCSG-UHFFFAOYSA-N	398.362	3.512	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1	148519362	UBKILSLJSBBVAC-UHFFFAOYSA-N	380.404	3.717	5	40	GHBB	
Cc1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1[N+](=O)[O-]	4594586	MLHOTBNSDYBFSA-UHFFFAOYSA-N	383.492	3.630	5	40	GHBB	
O=C(Cc1c(Cl)cccc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	32994637	XVRQZDXGFWZBMX-UHFFFAOYSA-N	383.187	3.854	5	40	GHBB	
CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC	218122889	NLVUKVQNFMQTOJ-UHFFFAOYSA-N	378.812	3.976	5	40	GHBB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	222799261	JLCSQRWCZVYNHI-OALUTQOASA-N	393.472	3.773	5	40	GHBB	
Cc1cccc(C)c1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	5270744	NRBVDJZURXUMFA-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCCOc1ccc(Br)cc1	3350443	HRLJIGIRSZNOHE-BJMVGYQFSA-N	392.205	3.993	5	40	GHBB	
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3569849	MMKAKBNPBFGMOA-KRWDZBQOSA-N	387.411	3.826	5	40	GHBB	
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	6416545	HPJHSXMJYBIVFK-CYBMUJFWSA-N	397.460	3.507	5	40	GHBB	
CCn1cc([C@@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)cn1	6637169	LZGQANGVMWZYGK-FQEVSTJZSA-N	377.404	3.873	5	40	GHBB	
C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl	5692633	BCTUAVYKRZGGCM-QMMMGPOBSA-N	398.202	3.668	5	40	GHBB	
O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21	4808301	LQVNEAHVQKMFNN-INIZCTEOSA-N	388.807	3.599	5	40	GHBB	
O=C(Cn1nnc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	72304611	QRFLFNRYFSHVCU-UHFFFAOYSA-N	387.399	3.573	5	40	GHBB	
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	70735512	SXVFUNIWDKVTTH-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC	225676825	NQBAZXPADXRLEP-UHFFFAOYSA-N	398.415	3.841	5	40	GHBB	
Cc1cc(C)c2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc2c1	5182205	CUOQPIRIAPXIGW-UHFFFAOYSA-N	396.472	3.784	5	40	GHBB	
O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	40072051	VDTNUUUENAPJEX-INIZCTEOSA-N	389.795	3.618	5	40	GHBB	
Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	12926076	SKRDQYNVOLXIHQ-OAHLLOKOSA-N	391.427	3.664	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	4176598	PPAAZNHRDWCQER-UHFFFAOYSA-N	385.254	3.539	5	40	GHBB	
CCCN(CC1CC1)C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5449618	YFJOEFZVYHXGMO-UHFFFAOYSA-N	386.404	3.660	5	40	GHBB	
CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	4814968	XRCRPPBXPVPUKC-SFHVURJKSA-N	396.472	3.643	5	40	GHBB	
CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cs1	4815186	FAERJWPQGNGNOA-UHFFFAOYSA-N	382.401	3.929	5	40	GHBB	
C[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2	84651680	VVCLKGMJTSQCFE-RSNKEIGGSA-N	383.372	3.749	5	40	GHBB	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	32738250	FDPTYTHKUZIDKS-UHFFFAOYSA-N	390.461	3.857	5	40	GHBB	
O=C(Nc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	1704260	AQPWYOPDJFOYLT-UHFFFAOYSA-N	398.396	3.615	5	40	GHBB	
COc1ccc(OC)c2c1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]2O	21674232	XVOGGVNXHHQSRL-AWEZNQCLSA-N	398.337	3.684	5	40	GHBB	
Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1	8273486	OCXLSVWYPVQUHE-UHFFFAOYSA-N	394.431	3.553	5	40	GHBB	
O=c1oc2ccccc2c(N2CCC(c3nc4ccccc4[nH]3)CC2)c1[N+](=O)[O-]	12506547	JQYBMHKLMHUFLA-UHFFFAOYSA-N	390.399	3.962	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncnc2ccccc12	3253520	NDBXEBDSQNZJJS-LLVKDONJSA-N	384.417	3.666	5	40	GHBB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	14016968	AHZSFRWOEWUKBA-BZNIZROVSA-N	380.853	3.579	5	40	GHBB	
COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	409239530	NSHKMKQDBOLIFJ-WJDWOHSUSA-N	388.401	3.928	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCOc1cccc2ccccc12	604113366	JHFGEUFSQIKKPA-UHFFFAOYSA-N	376.368	3.813	5	40	GHBB	
COc1ccc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1	20492274	BQKFDDKHQMWOSU-UHFFFAOYSA-N	390.355	3.907	5	40	GHBB	
Cc1c(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cccc1[N+](=O)[O-]	58113129	FWWHVCKSHJTWFW-UHFFFAOYSA-N	387.399	3.567	5	40	GHBB	
COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1	2284667	OCICQJXVWKVNIG-UHFFFAOYSA-N	399.454	3.547	5	40	GHBB	
Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2c1C	9552021	ZIGVQHVIUBAHJW-CYBMUJFWSA-N	381.388	3.877	5	40	GHBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cn1ccnc1	58161611	RYIIWCHASOAUDP-CQSZACIVSA-N	382.445	3.959	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	6785786	XPOWONRYEZWILN-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
CCOc1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1OCC	5937876	YVDMHZKNNHPUON-UHFFFAOYSA-N	377.372	3.582	5	40	GHBB	
Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2c1C	9552020	ZIGVQHVIUBAHJW-ZDUSSCGKSA-N	381.388	3.877	5	40	GHBB	
CCc1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-]	95466092	CTJMMRRBMGFVCZ-UHFFFAOYSA-N	396.369	3.850	5	40	GHBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1	408624058	ATLWLDAJRHTICQ-UHFFFAOYSA-N	398.213	3.623	5	40	GHBB	
O=[N+]([O-])c1ccccc1OCCSc1nnc(C2CC2)n1Cc1ccco1	48356274	LBSXRBRWZXOMNM-UHFFFAOYSA-N	386.433	3.876	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1	14409742	UWALEKDRYHEGLQ-UHFFFAOYSA-N	383.433	3.604	5	40	GHBB	
O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F	32641764	HUOHRPVAMUWPQN-CYBMUJFWSA-N	376.409	3.794	5	40	GHBB	
O=C(Nc1ccc(I)cc1F)c1ccc([N+](=O)[O-])cc1	408622628	PTXXMQHCFILMIX-UHFFFAOYSA-N	386.120	3.591	5	40	GHBB	
CCc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1	12796737	UDQPFOJLJRINRN-SFHVURJKSA-N	375.856	3.843	5	40	GHBB	
NC(=O)c1ccc(CN(Cc2c(F)cccc2Cl)C2CC2)c([N+](=O)[O-])c1	8935504	JDZCJSWUTXYWDZ-UHFFFAOYSA-N	377.803	3.651	5	40	GHBB	
CCOC(=O)c1oc2ccccc2c1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	65588985	QUZAVHGJZJLIQZ-ZHACJKMWSA-N	394.383	3.847	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc2ccccc12	20611797	ZXJLSHJVRNAWBY-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
O=C(NCCNc1nc2ccccc2s1)c1ccc(Cl)cc1[N+](=O)[O-]	30670991	ZLCUZRACDQFHBV-UHFFFAOYSA-N	376.825	3.700	5	40	GHBB	
Cc1ccc(-c2nc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)cs2)cc1	7005825	XRUSZPKKIBRAQD-UHFFFAOYSA-N	378.413	3.785	5	40	GHBB	
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	10243617	IMHPAAONCIJLQX-ZDUSSCGKSA-N	383.433	3.603	5	40	GHBB	
C[C@@H]1C[C@H](OC[C@@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1	13306576	KBXHLTQMFWDNAE-HJNYFJLDSA-N	376.561	3.626	5	40	GHBB	
Cc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	5200795	RFVHBWVIOBCKIZ-UHFFFAOYSA-N	393.365	3.884	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N2CCc3ccccc3C2)C1	408611497	SMBJYRDCMCMKBN-SFHVURJKSA-N	399.878	3.911	5	40	GHBB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccc([N+](=O)[O-])cc1	408938813	AGDXQSLUHAWWGP-UHFFFAOYSA-N	397.362	3.604	5	40	GHBB	
CN1CCc2cc(Br)c(O)cc2[C@@H](c2ccc([N+](=O)[O-])cc2)C1	616567650	JKGMVOKODREYMW-OAHLLOKOSA-N	377.238	3.683	5	40	GHBB	
O=C(Nc1ccccc1O)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	12593553	LWGKJUSFHZMHQV-UHFFFAOYSA-N	375.812	3.809	5	40	GHBB	
CCOc1ccc(NC(=O)CSc2ncnc3ccccc23)c([N+](=O)[O-])c1	5505236	HHXXGXFZWBVEBZ-UHFFFAOYSA-N	384.417	3.668	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2ccccc2)CC1	5843034	GDTUQUUNXMLZNQ-UHFFFAOYSA-N	394.475	3.548	5	40	GHBB	
COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc([N+](=O)[O-])c1	8279329	LYMAPJOTVPJAJX-NSHDSACASA-N	399.428	3.824	5	40	GHBB	
COc1ccc(Nc2nc(C)c([N+](=O)[O-])c(NCc3ccco3)n2)c(OC)c1	38488513	HXCNGWOLZSSCDH-UHFFFAOYSA-N	385.380	3.659	5	40	GHBB	
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C	5852297	UUINLLDYCFWQFS-RYUDHWBXSA-N	388.807	3.771	5	40	GHBB	
O=C(/C=C/c1ccccc1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1	17078445	JSPGFAPQSQVVNK-RMKNXTFCSA-N	384.442	3.731	5	40	GHBB	
O=C(CSc1nnc(COc2ccccc2F)o1)c1cccc([N+](=O)[O-])c1	409386588	VIIROFZFMILHOX-UHFFFAOYSA-N	389.364	3.671	5	40	GHBB	
COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2cc(-c3ccc(F)cc3)nn12	36615742	SZYHVZIFABRDPS-UHFFFAOYSA-N	392.346	3.897	5	40	GHBB	
COc1ccc(/C=C2/SC(=O)NC2=O)cc1OCc1ccc([N+](=O)[O-])cc1	1100285	FIRQNQIDOJIHHX-CXUHLZMHSA-N	386.385	3.506	5	40	GHBB	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1cccc(Br)c1	856196	ZMZXQLHYLYSPCB-INIZCTEOSA-N	390.193	3.596	5	40	GHBB	
O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1	79056813	REQSHHWLBAQNNL-OAHLLOKOSA-N	390.399	3.673	5	40	GHBB	
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1cccc([N+](=O)[O-])c1	3770484	GAMYZLHSWOOPSF-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)cc1	13774760	AGMYGHPGKGWLBH-JOCHJYFZSA-N	396.467	3.644	5	40	GHBB	
Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1[N+](=O)[O-]	6255607	IFDIWNFPLOMDGQ-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccn1-c1cccc(F)c1	6972886	LPTDKSRXKRRJDN-UHFFFAOYSA-N	386.408	3.959	5	40	GHBB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)[C@@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12	229850446	GYTQWQDOZABPNL-MHTWAQMVSA-N	387.395	3.664	5	40	GHBB	
COC(=O)c1cc(NCc2cccc(NC(=O)C3CCC3)c2)ccc1[N+](=O)[O-]	26775088	JJNDUGMPGRRYQN-UHFFFAOYSA-N	383.404	3.732	5	40	GHBB	
CC(C)c1ccc([C@H](O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1	57770756	UVGVMMJLVWAGQI-HXUWFJFHSA-N	379.416	3.676	5	40	GHBB	
COc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1	6720201	GPBJEATUJFPXEP-UHFFFAOYSA-N	388.423	3.811	5	40	GHBB	
COc1ccc(CN(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1	8164970	JBSSZVSOYKJWIL-RUDMXATFSA-N	396.399	3.537	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1cccc(F)c1	29623107	UMTGNWWKRSKQRY-GOSISDBHSA-N	399.378	3.794	5	40	GHBB	
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1[N+](=O)[O-]	40074378	GEUSEWVMBLOTLI-UHFFFAOYSA-N	376.372	3.803	5	40	GHBB	
COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1F	58157321	QWMUZKGOSMZEIR-UHFFFAOYSA-N	379.819	3.718	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(N2CCCCC2=O)cc1	25833853	XUISNSDQTMFWFL-HNNXBMFYSA-N	381.432	3.945	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	12989598	UWIUMSMADLDYAR-AHKGRUIUSA-N	380.400	3.743	5	40	GHBB	
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)c1C	6062416	MYQZQHKGZUQHEA-JTQLQIEISA-N	380.784	3.630	5	40	GHBB	
CC(C)CNC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	6624631	WECGEBVCWAXXJZ-UHFFFAOYSA-N	399.450	3.743	5	40	GHBB	biogenic
COc1ccc(CCc2nnc(NC(=O)c3cccc(C)c3[N+](=O)[O-])s2)cc1	9426494	HLLCYXWISUAROB-UHFFFAOYSA-N	398.444	3.801	5	40	GHBB	
CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	3200084	AQUCIWDFAKPTIU-UHFFFAOYSA-N	388.445	3.893	5	40	GHBB	
CC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	4870635	JROVMZXZXLZWRJ-AWEZNQCLSA-N	376.796	3.924	5	40	GHBB	
COc1ccc(NC(=O)[C@@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1	16809074	DAEQMIDYFDLZOR-SFHVURJKSA-N	379.372	3.757	5	40	GHBB	
O=C(CCNc1ccc2ncccc2c1[N+](=O)[O-])N1CCCc2ccccc21	84581943	NPAPSTKAAJYKMI-UHFFFAOYSA-N	376.416	3.924	5	40	GHBB	
O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1	95979939	TYYOCWYLDKGHNQ-UHFFFAOYSA-N	393.896	3.952	5	40	GHBB	
COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	20141049	JQRHKYHFWRDNJI-UHFFFAOYSA-N	385.159	3.861	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1cc(=O)oc2cc3c(cc12)CCC3	6012701	WFIJYGMLLSYBJI-RMKNXTFCSA-N	391.379	3.947	5	40	GHBB	
COc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1	4485047	HQABMRFBJGBLJB-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc([N+](=O)[O-])cc3)NC(=O)CCN21	2430104	UJINVANWZCPEQX-RSNBEDGSSA-N	377.444	3.930	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3	12767807	YORLDSPLJGNCHE-UHFFFAOYSA-N	392.415	3.674	5	40	GHBB	
CC[C@@H](Cc1ccc(C)cc1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	78903494	RJSBJERQTUNAPF-INIZCTEOSA-N	376.478	3.764	5	40	GHBB	
CCOC(=O)c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C	10442162	CNTDGXLCXGKXIH-UHFFFAOYSA-N	388.445	3.952	5	40	GHBB	
COc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1	24368679	QNTUFFFFKMJIBZ-UHFFFAOYSA-N	385.298	3.553	5	40	GHBB	
Cc1csc2nc(CSc3nc4ccc([N+](=O)[O-])cc4s3)cc(=O)n12	6027996	CONZAZJYKGTENX-UHFFFAOYSA-N	390.471	3.875	5	40	GHBB	
O=C(CCCSc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	5637099	IEXZLCBLMOFQQE-UHFFFAOYSA-N	385.489	3.816	5	40	GHBB	
Cc1cc(Br)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	16100073	IEFALLNCGIYALZ-UHFFFAOYSA-N	385.239	3.775	5	40	GHBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(Cc2ccccc2)CC1	17357886	LPLVVHMVJDUSGQ-UHFFFAOYSA-N	381.457	3.768	5	40	GHBB	
CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224777306	MFVNXRCBXHWMTQ-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
Cc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1	5969927	RQRZUBQJGKYXJH-SNVBAGLBSA-N	384.219	3.861	5	40	GHBB	
Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(-c2nc3ccccc3[nH]2)n1	6420650	IFWAHBRWAXLBRY-MDZDMXLPSA-N	388.387	3.617	5	40	GHBB	
O=[N+]([O-])c1ccc(SCc2ccccc2)c(S(=O)(=O)N2CCCC2)c1	6582410	YTJBDZZJWBMODA-UHFFFAOYSA-N	378.475	3.672	5	40	GHBB	
C[C@@H]1S[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O	5759334	NCYLDWWWWRCQQZ-HUTHGQBESA-N	389.820	3.522	5	40	GHBB	
O=[N+]([O-])c1cc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cs1	40146121	TXWWZLXYQUEPHT-LBPRGKRZSA-N	377.403	3.844	5	40	GHBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl	408624856	CQPDAFQGBGIQQO-UHFFFAOYSA-N	385.232	3.533	5	40	GHBB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl	408638971	DUWHOFGPXOTPQN-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	40149405	HEMWYKSJRHOYCF-UHFFFAOYSA-N	378.791	3.637	5	40	GHBB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl	408638972	DUWHOFGPXOTPQN-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)CC)c1C	4834611	FJKXHJHHXIRYGX-UHFFFAOYSA-N	390.417	3.986	5	40	GHBB	
COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1	15518338	QTINAXDRLYZIMA-IBGZPJMESA-N	399.447	3.696	5	40	GHBB	
CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(C(F)(F)F)cc1	95972123	ZWQOIOWWPKYMAX-WMZOPIPTSA-N	396.365	3.785	5	40	GHBB	
COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)c(Cl)c1Cl	132353614	NBRUXKDUJSSWGN-UHFFFAOYSA-N	391.232	3.735	5	40	GHBB	
CCOc1ccc(CN2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1	603845331	IDNPVXAFXKWGSF-UHFFFAOYSA-N	392.459	3.864	5	40	GHBB	
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1	8369903	IOTDODXZBXVFKF-GOSISDBHSA-N	396.472	3.643	5	40	GHBB	
O=C(OCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1	4889865	DSHSAXPYANVHQJ-UHFFFAOYSA-N	394.786	3.581	5	40	GHBB	
Cc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1	9199112	WCONXCIRYBQJPU-UHFFFAOYSA-N	398.444	3.916	5	40	GHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H](C)n3cc(Cl)cn3)nc12	17078392	NUAUQXGJQCYBSS-SNVBAGLBSA-N	383.868	3.963	5	40	GHBB	
COc1ccc(-c2nnc3sc(-c4ccc(C)c([N+](=O)[O-])c4)nn23)cc1OC	9615176	GGKZJGGWDSLMIB-UHFFFAOYSA-N	397.416	3.754	5	40	GHBB	
O=[N+]([O-])c1ccccc1Oc1nc(Cl)nc(Oc2ccccc2[N+](=O)[O-])n1	1657290	FPORNRTULZGQQO-UHFFFAOYSA-N	389.711	3.926	5	40	GHBB	
CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	32908129	PBNPYSXUEASDDK-UHFFFAOYSA-N	386.433	3.504	5	40	GHBB	
O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	4887924	IIHOTYGXGVPLEN-VCSGRIEYSA-N	379.460	3.910	5	40	GHBB	
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1[N+](=O)[O-]	8909329	OAADHXSLVOBVHZ-UHFFFAOYSA-N	398.400	3.565	5	40	GHBB	
Cc1cccc(CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)c1	5107669	QBKNXZRTFJPKPZ-UHFFFAOYSA-N	398.444	3.817	5	40	GHBB	
C[C@H](Sc1nncs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	5980037	MITZLNFSZPJYDW-LURJTMIESA-N	378.357	3.584	5	40	GHBB	
CCOc1ccc2nc(NC(=O)c3c(C(=O)O)cccc3[N+](=O)[O-])sc2c1	4906348	BMSUDRJVFWJZOB-UHFFFAOYSA-N	387.373	3.554	5	40	GHBB	
CCOc1ccc(Nc2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])cc1	5119684	NFHOADFVZWHACT-UHFFFAOYSA-N	394.435	3.764	5	40	GHBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1Cl	7908681	IEJLVAARZHMMOT-UHFFFAOYSA-N	375.768	3.575	5	40	GHBB	
O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	20142718	UWOXCBVEFIQCPQ-UHFFFAOYSA-N	389.795	3.799	5	40	GHBB	
C[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccc(F)c1	6790821	MIXSBLPUYPIRRV-ZDUSSCGKSA-N	393.440	3.692	5	40	GHBB	
Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1	32086636	BOBIKYFUKCDKAP-UHFFFAOYSA-N	386.433	3.507	5	40	GHBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1	98087366	QOPLAHFYKWEOTH-UHFFFAOYSA-N	387.465	3.505	5	40	GHBB	
COc1ccc(CN2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1	32916278	IQURBKGTJUFLHQ-UHFFFAOYSA-N	392.459	3.864	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1	6083653	FKPGNGJPLSLEQP-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	12602086	CHVRWOOMZJMNNR-INIZCTEOSA-N	383.364	3.651	5	40	GHBB	
Cc1cccc(-c2noc(CN(C(=O)Cc3ccccc3[N+](=O)[O-])C(C)C)n2)c1	5427868	XLMGAJCLKGWCAK-UHFFFAOYSA-N	394.431	3.933	5	40	GHBB	
CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1	26154911	CDTMNFDKJVSYNP-UHFFFAOYSA-N	381.354	3.519	5	40	GHBB	
COc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1	4904428	SLPVMFJLRPIUSM-UHFFFAOYSA-N	384.436	3.644	5	40	GHBB	
Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1C	408532438	YFPOUSCWFALVGS-UHFFFAOYSA-N	394.343	3.796	5	40	GHBB	
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1	5270005	JVSTYBJHHQSQIC-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CC(=O)c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1	32509631	GSOOZOYPETWEOH-UHFFFAOYSA-N	379.869	3.835	5	40	GHBB	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	102386680	HUQLLXGZXJEKRT-KKUMJFAQSA-N	377.872	3.723	5	40	GHBB	
COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1F	25188672	BIIQVZLWKJVBLM-LBPRGKRZSA-N	378.425	3.882	5	40	GHBB	
Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1	7776996	CXKTVDNKOVWHNJ-UHFFFAOYSA-N	375.450	3.613	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O	214206105	ZEAZGWCHJBBAAN-CXUHLZMHSA-N	388.376	3.979	5	40	GHBB	
O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	2483572	MJMVQKITOLMPJN-UHFFFAOYSA-N	380.429	3.709	5	40	GHBB	
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCCc1ccccc1	4355843	KSCSFKLNBPTJFL-UHFFFAOYSA-N	394.456	3.503	5	40	GHBB	
Cc1ccc2cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)[nH]c2c1C	4032959	KNUHEKULTLYTLY-UHFFFAOYSA-N	399.834	3.679	5	40	GHBB	
Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	20893138	YGLFXKHSTTUCDC-UHFFFAOYSA-N	393.447	3.720	5	40	GHBB	
COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c([N+](=O)[O-])c3C)n2)cc1	4881442	BLDPODTUWZPJTP-UHFFFAOYSA-N	393.325	3.882	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCSc3ccccc32)c1C	12853173	QOCXAGAWGXGXAS-HNNXBMFYSA-N	378.475	3.727	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1C	409130573	IGBLOLJXORLHGW-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc([N+](=O)[O-])cc1	6265379	OCODTJGXQSVHEI-BONVTDFDSA-N	376.438	3.633	5	40	GHBB	
Cc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	409182360	KQOKTLMOOPTBGS-UHFFFAOYSA-N	397.408	3.955	5	40	GHBB	
O=C(O)c1cccc(Sc2cc3c(cc2[N+](=O)[O-])c(=O)nc2sccn23)c1	4709768	VOJXHOBRXQVBPT-UHFFFAOYSA-N	399.409	3.667	5	40	GHBB	
C[N@+]1(CCF)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	254132402	OATDVDIMNNZTEY-NCFAEFNUSA-N	398.498	3.575	5	40	GHBB	in-man
CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(C)c1-c1ccc(OC)cc1	409206730	WQCBYGVYPARVHW-MRCUWXFGSA-N	397.456	3.974	5	40	GHBB	
O=C(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1	9217814	NSVRMYAZNCHSPL-UHFFFAOYSA-N	375.253	3.942	5	40	GHBB	
O=C(O)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	15008935	LUPJWSFAWRWZMN-OQLLNIDSSA-N	384.369	3.530	5	40	GHBB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	32994613	QTFAIHAMJXBMSE-LLVKDONJSA-N	392.795	3.734	5	40	GHBB	
Cc1cccc(COc2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])cc2)c1	409313558	CBKSJDDMVOHVER-YFHOEESVSA-N	379.372	3.854	5	40	GHBB	
Cc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	408624813	CAVSZBHSCYMOND-UHFFFAOYSA-N	384.461	3.630	5	40	GHBB	
COc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)cc1[N+](=O)[O-]	408529670	NOBJHSVKVLRIEG-UHFFFAOYSA-N	379.372	3.896	5	40	GHBB	
COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	44886405	LJAWLMOQQFEELD-SFHVURJKSA-N	392.477	3.978	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1C(C)(C)C	223700088	WMFSKZMSLVMSHA-UHFFFAOYSA-N	392.477	3.558	5	40	GHBB	
Cc1nc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])oc1C	12764408	QKUQHAYQOCEXGI-UHFFFAOYSA-N	382.341	3.644	5	40	GHBB	
O=[N+]([O-])c1ccccc1-c1nnc(SC2=CS(=O)(=O)c3ccccc32)o1	9614900	KCIOPHQIUJPTQY-UHFFFAOYSA-N	387.398	3.523	5	40	GHBB	
Cc1cc(Cl)ccc1OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	11360241	KSOMCTNRQQJXCI-UHFFFAOYSA-N	392.795	3.735	5	40	GHBB	
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	8230835	UGVVNHJGXVJRJJ-MRVPVSSYSA-N	393.425	3.700	5	40	GHBB	
C[C@H]1C[C@@H](C)CN(c2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1	17251044	HWJXTCYVPPJILE-PHIMTYICSA-N	376.848	3.846	5	40	GHBB	
C[C@@H]1CCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C(N)=O)c2C1	4177490	UUHRFSVUYNDKCT-MRVPVSSYSA-N	393.852	3.786	5	40	GHBB	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccc(O)c1	704806	FVSXZZVHZYZMKK-UHFFFAOYSA-N	376.324	3.893	5	40	GHBB	
COc1ccc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2c1	2639602	CLWVMDPYRSJGPH-UHFFFAOYSA-N	375.431	3.944	5	40	GHBB	
CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	6940246	QCVULHIPNLKAFL-KRWDZBQOSA-N	397.475	3.836	5	40	GHBB	
COc1ccc(-c2nnc(SC(=O)c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1	7939509	OUXZUHGEVLDJFN-UHFFFAOYSA-N	387.373	3.595	5	40	GHBB	
COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1	2317865	NHFLAQONQNQSAI-UHFFFAOYSA-N	399.454	3.629	5	40	GHBB	
C[C@@H](Sc1nc2cc(Cl)c[nH]c-2n1)C(=O)Nc1ccccc1[N+](=O)[O-]	5310085	WHYFRXZJPINWHF-MRVPVSSYSA-N	377.813	3.590	5	40	GHBB	
COc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC	44885957	SZGGOZUAIZOUEY-ZDUSSCGKSA-N	390.461	3.723	5	40	GHBB	
O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	13546624	RHUXRQIHMDTANE-DHDCSXOGSA-N	384.369	3.530	5	40	GHBB	
O=[N+]([O-])c1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1	2974622	PIZJBECEMDCNJK-HXUWFJFHSA-N	386.859	3.899	5	40	GHBB	
CCc1c(C)sc2ncn3nc([C@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c12	2809025	MVVKVZCQVMRMKH-JTQLQIEISA-N	385.453	3.541	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	4054399	UAJWGKYDFVWIJL-UHFFFAOYSA-N	380.231	3.864	5	40	GHBB	
CSc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl	5080108	YHUWSDXGAVPBEE-UHFFFAOYSA-N	380.809	3.766	5	40	GHBB	
CC(C)CNc1nnc(Sc2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])s1	14202356	BZLWHICOJUZACD-GQCTYLIASA-N	380.451	3.763	5	40	GHBB	
CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1	96013474	PNDALAKVAGWHOZ-CQSZACIVSA-N	389.477	3.900	5	40	GHBB	
CN(c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	6734342	KUJQDQINXXICPM-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	40072052	VDTNUUUENAPJEX-MRXNPFEDSA-N	389.795	3.618	5	40	GHBB	
CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1	13778967	GFMJKUOSCIRITO-UHFFFAOYSA-N	379.416	3.797	5	40	GHBB	
CCOc1ccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1	5576839	SWUKMAUNSJTMFK-UHFFFAOYSA-N	381.417	3.610	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccco1)NC(=O)c1ccccc1	4844140	TZRLLDCWRLRDRT-QGOAFFKASA-N	377.356	3.597	5	40	GHBB	
O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2	5869878	LNBLFFSHOHKRGW-TVPGTPATSA-N	396.399	3.836	5	40	GHBB	
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	95977796	APWACQCVEDLBQU-CYBMUJFWSA-N	376.796	3.550	5	40	GHBB	
COc1ccccc1NC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1	48367132	QGGMFBDKJPKDTL-UHFFFAOYSA-N	383.448	3.763	5	40	GHBB	
CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	1064011	KUFOQEZFUKSOJF-GOSISDBHSA-N	387.436	3.879	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1	12533187	YUMJHPJKSLMEMF-UHFFFAOYSA-N	375.690	3.680	5	40	GHBB	
O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1[N+](=O)[O-]	214905554	KIRYXJYWYBMRML-LZYBPNLTSA-N	384.369	3.560	5	40	GHBB	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)ccc1[N+](=O)[O-]	40074444	RCJXNMOKHFUONT-UHFFFAOYSA-N	388.445	3.872	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCC1	224758035	RUHLHVBDSIBGQV-UHFFFAOYSA-N	399.516	3.740	5	40	GHBB	
COC(=O)c1ccc(O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1	22223412	CVIQEQBTBYQHKX-PXRHCINRSA-N	387.432	3.934	5	40	GHBB	
Cc1ccccc1OCCNc1cc(N2C[C@@H](C)N[C@H](C)C2)ccc1[N+](=O)[O-]	4455723	YWLNLOBROCLLKK-IAGOWNOFSA-N	384.480	3.581	5	40	GHBB	
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1COc2ccccc2O1	29738852	GIJXTGWMWKPHQQ-INIZCTEOSA-N	384.417	3.528	5	40	GHBB	
CNC(=O)c1ccc(N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])c1	79106171	MJPFZJSIXYHSRJ-OAHLLOKOSA-N	393.447	3.930	5	40	GHBB	
Cn1cnc([N+](=O)[O-])c1NCc1cn(Cc2ccccc2)nc1-c1ccccc1	22978001	WVBFXZKWSXBUOD-UHFFFAOYSA-N	388.431	3.852	5	40	GHBB	
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	9596152	QXSYCIXWXYMVIP-UHFFFAOYSA-N	393.399	3.840	5	40	GHBB	
Cc1ccc2c(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C)[nH]c2c1	34715883	IGKMPMHUYMWIEJ-UHFFFAOYSA-N	392.459	3.698	5	40	GHBB	
CCOC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc(C)c1C	409060799	WCHAWPYEJUVGKO-UHFFFAOYSA-N	398.462	3.559	5	40	GHBB	
CCN(c1cccc(Br)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225073190	KPLBGPZXAKDNJO-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
CCCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1	40122990	GSCOYWSSLIPHNY-UHFFFAOYSA-N	385.449	3.829	5	40	GHBB	
O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1	5583919	FDBLPYNKLLCZSQ-QPEQYQDCSA-N	391.152	3.841	5	40	GHBB	
Cc1ccc(Cn2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2=O)cc1	5270196	ZKDAPMRCHROIRP-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])cc1Cl	4923756	AWQUNOLKEOOQNU-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
O=C(COC(=O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	850630	AMLAGWSQCSOMFI-UHFFFAOYSA-N	389.363	3.866	5	40	GHBB	
O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12	22606803	XLJIXSYKDRNSSR-UHFFFAOYSA-N	385.383	3.588	5	40	GHBB	
O=C(Nc1ccc(Nc2ncccn2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	1156367868	VGLXXWUCZZIRAO-ZWKOTPCHSA-N	375.388	3.871	5	40	GHBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1cccs1	25268457	LUIFGAUEUWZICZ-UHFFFAOYSA-N	395.440	3.729	5	40	GHBB	
Cc1ccc(Cn2nnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1	4166389	NUENIXWGLRCZJW-UHFFFAOYSA-N	392.444	3.779	5	40	GHBB	
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1	2253793	QMUSTZPCIQCRAY-IBGZPJMESA-N	399.362	3.846	5	40	GHBB	
CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCCOC	2345011	VHGRJBBWLBCYAM-CYBMUJFWSA-N	379.464	3.610	5	40	GHBB	
c1ccc2c(CN3CCOCC3)c3ccccc3c(CN3CCOCC3)c2c1	19287760	VLLFXWZDQHOGLC-UHFFFAOYSA-N	376.500	3.657	5	40	GHBB	in-vitro
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(N2CCc3ccccc3C2)CC1	408609755	OQGQNZFELDHTRI-UHFFFAOYSA-N	399.878	3.911	5	40	GHBB	
O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	408919641	ZMAZKVJAQYEAJY-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
COc1cc(OCC(=O)NCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-]	66017470	YQEZMNFPKWLHME-UHFFFAOYSA-N	396.852	3.544	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C(C)C)cc1	3387080	HAVIPDUINXMNCB-CYBMUJFWSA-N	386.404	3.911	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc2c(c1)OCCO2	3196903	AXRYSOYUVIVIER-LZCJLJQNSA-N	392.314	3.619	5	40	GHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(F)c(F)cc1Cl	3326890	JPOOJWCRNCZBMR-UHFFFAOYSA-N	385.706	3.750	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c(C)c1	409129653	VNXCSNZTWQHZLA-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	40116893	FPQVRXLIACNZJO-KRWDZBQOSA-N	393.321	3.581	5	40	GHBB	
NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1cccc(C(F)(F)F)c1	17130737	YZOPUVLWBWAGJA-JWGURIENSA-N	377.278	3.691	5	40	GHBB	
O=C(CSc1nncn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl	6822649	GZPGHSNZOODBND-UHFFFAOYSA-N	389.824	3.560	5	40	GHBB	
CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCCCC1	24493393	DFHZQDJXUWMLCO-UHFFFAOYSA-N	381.429	3.535	5	40	GHBB	
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@H]1CCCO1	28284585	SJSFQOFTIQTJAB-CQSZACIVSA-N	390.417	3.618	5	40	GHBB	
COc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl	22259071	XJJWWKSIUZDAJU-UHFFFAOYSA-N	377.205	3.711	5	40	GHBB	
O=C1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc2N1	95451736	NHDJHWJOZFEPFK-UHFFFAOYSA-N	376.372	3.670	5	40	GHBB	
O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc([N+](=O)[O-])cc1Cl	218122073	UHHJZXZSWSKGKF-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
Cc1c([C@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)cnn1C	71785170	SMFBZKWVKOHAEQ-HXUWFJFHSA-N	377.404	3.698	5	40	GHBB	
CCN1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1	252536165	HSIAIJYOBVXWCX-UHFFFAOYSA-N	385.489	3.832	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])O[C@H](C)C2	7116929	QKIJDILECDDPND-LLVKDONJSA-N	390.823	3.900	5	40	GHBB	
O=C1CCc2cc(-c3csc(NC(=O)c4cccc([N+](=O)[O-])c4)n3)ccc2N1	11451159	HGIQLORSEWMDLK-UHFFFAOYSA-N	394.412	3.855	5	40	GHBB	
Cc1ccc(Cn2cccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2=O)cc1	5270195	ZGKOWRLHNQNNMX-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
Cc1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1	8586529	KFENYJOUMLCQNR-UHFFFAOYSA-N	377.400	3.910	5	40	GHBB	
COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1OC	20759913	MBVAYKDSSMPKRU-UHFFFAOYSA-N	387.417	3.878	5	40	GHBB	
Cc1c(C)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2oc1=O	1016568	JWVQKGMJKLZHFN-UHFFFAOYSA-N	382.372	3.644	5	40	GHBB	
COc1cc(OC)c(C2=CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	57731310	AMDKJXGENUUZOL-UHFFFAOYSA-N	384.432	3.910	5	40	GHBB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	14016962	AHZSFRWOEWUKBA-BDJLRTHQSA-N	380.853	3.579	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccccc2I)cc1[N+](=O)[O-]	805337	MLJVUMMDQDKICD-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
O=C(/C=C/c1ccccc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3321304	DSSCOEZFNQBKBY-AATRIKPKSA-N	375.764	3.871	5	40	GHBB	
COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	11172726	RDBUUAFNKGDXIQ-UHFFFAOYSA-N	375.856	3.969	5	40	GHBB	
Cc1ccnc(-n2c(Sc3ncccc3[N+](=O)[O-])nc3ccccc3c2=O)c1	8745643	WFEXWCBFENKPCV-UHFFFAOYSA-N	391.412	3.544	5	40	GHBB	
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1	7777907	AYIGRRHXVWUUKK-UHFFFAOYSA-N	390.395	3.735	5	40	GHBB	
COc1cc2nc3ccc(NC(=S)NCc4ccco4)cc3nc2cc1OC	408998000	PSIOVKJQOQOOSY-UHFFFAOYSA-N	394.456	3.880	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc2ccccc2c1	20611803	NXHCASSBDLEUPP-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
COCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)c(C)nc21	2425311	INSASXSOHQCSCR-UHFFFAOYSA-N	393.491	3.685	5	40	GHBB	
O=Cc1ccc(Sc2n[nH]c(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1	409387177	ZZSRHBYILIHGRL-UHFFFAOYSA-N	390.808	3.909	5	40	GHBB	
Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2c1	12634740	SQROUEDXIAPQQU-UHFFFAOYSA-N	390.443	3.722	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cccc(OCc2ccc(F)cc2)c1	409318588	YULOKQMKYKOOCT-TWGQIWQCSA-N	383.335	3.685	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)c(C)c1	5749927	GHUDOLLJUBFERC-UHFFFAOYSA-N	395.209	3.692	5	40	GHBB	
CNC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1	12748549	LUKIDFOVSLDXAC-UHFFFAOYSA-N	390.399	3.950	5	40	GHBB	
Cc1ccc(-c2nnn(CC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Cl	2581916	SXQDWVBTHSOGFN-UHFFFAOYSA-N	392.202	3.746	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3c2[N+](=O)[O-])cc1	4522166	PAEPREUGBQWNQF-UHFFFAOYSA-N	387.373	3.765	5	40	GHBB	
O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1	4840007	WGFXWJSXZNKEIC-UHFFFAOYSA-N	386.379	3.764	5	40	GHBB	
Nc1nc(NCc2ccc(Cl)cc2)nc(NCc2ccccc2)c1[N+](=O)[O-]	5050847	KHYJMVTVXVALEC-UHFFFAOYSA-N	384.827	3.845	5	40	GHBB	
COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1	6560509	GCERWJFIVHAAKN-UHFFFAOYSA-N	379.210	3.638	5	40	GHBB	
O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccco1	4883674	RKQYUYVPMSNUSU-LBPRGKRZSA-N	378.599	3.726	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	89851322	QPLYFMIECJBEDK-OAHLLOKOSA-N	380.364	3.630	5	40	GHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	408624015	ALPJTAAICKEPCR-UHFFFAOYSA-N	384.461	3.630	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl	20410748	VORRYHQOUAJIPT-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c([N+](=O)[O-])cc1OC	717596	LDDJQOUHXBDHKJ-UHFFFAOYSA-N	384.388	3.768	5	40	GHBB	biogenic
O=C(Nc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1	58155159	OFXVSRIHTMMZDD-UHFFFAOYSA-N	381.413	3.839	5	40	GHBB	
O=C(CSc1nncn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl	3544150	GFJSZBKFEKTNRT-UHFFFAOYSA-N	389.824	3.560	5	40	GHBB	
Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)ccc1[N+](=O)[O-]	12930004	SDEGTGCUFMHABE-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
O=C(Cc1ccsc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	6552172	WEVRKQYIRYWJSW-UHFFFAOYSA-N	399.394	3.566	5	40	GHBB	
CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-]	33795592	OLWNCVCXQCBLHB-BDXSIMOUSA-N	391.374	3.667	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1	48362888	NTEBPXFHYFNCGC-UHFFFAOYSA-N	396.447	3.695	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1	4960398	INRPVDBGXMAFPF-UHFFFAOYSA-N	385.401	3.744	5	40	GHBB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O	7928230	WMEFNTGBPBNZMT-INIZCTEOSA-N	381.432	3.711	5	40	GHBB	
O=C(Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccc([N+](=O)[O-])cc1	4777071	IEVNNDSBKDDEAD-OAHLLOKOSA-N	388.383	3.550	5	40	GHBB	
O=c1[nH]c(O)nc(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1[N+](=O)[O-]	15009189	NEMDOYZLNBBOSV-GQCTYLIASA-N	393.277	3.833	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1	39750522	PLORNRLMFPVWSS-UHFFFAOYSA-N	383.448	3.763	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC	4070492	MCRBJTCYLDWKBZ-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	7975356	IPAMAZCXXZCCJE-QMMMGPOBSA-N	398.202	3.668	5	40	GHBB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	5139433	RNNLNRNOVHPNEB-HNNXBMFYSA-N	398.293	3.912	5	40	GHBB	
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	9866627	OQIPXYDTKRVOCE-FNORWQNLSA-N	383.235	3.615	5	40	GHBB	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1	4976648	RWGNZLZUFRXNMV-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
O=[N+]([O-])c1ccccc1OCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	107534049	KVUBJZBPIUBBBB-RDJZCZTQSA-N	396.365	3.800	5	40	GHBB	
O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl	5570033	VGGHEQBGRGHCMF-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1I	408541836	GDJVLIBPXVHPSM-GQCTYLIASA-N	386.145	3.675	5	40	GHBB	
C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1F	32777388	SNLJOSFNZFLQEB-VIFPVBQESA-N	393.371	3.984	5	40	GHBB	
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCC(=O)OC	408542390	IXTQUZCIVCEZLT-AATRIKPKSA-N	396.783	3.666	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	408625658	FDBAXFGFWZSULE-UHFFFAOYSA-N	381.413	3.883	5	40	GHBB	
CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225020743	SVPDXZFZYHVILV-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCO2	1716402	CYBXTLNYKZUINH-WZUFQYTHSA-N	392.161	3.711	5	40	GHBB	
CCCc1ccc([C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)c2cccs2)cc1	40139191	DOYJTHLACZPGQU-IBGZPJMESA-N	384.461	3.711	5	40	GHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)cc1	3335398	ZHDPKVOXRFAMQK-UHFFFAOYSA-N	394.177	3.581	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1	12752023	FHXLLQRSLUEUDW-OAHLLOKOSA-N	389.458	3.730	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ccc(F)cc1	6257540	SAYHXXARJIBBKM-UHFFFAOYSA-N	393.440	3.521	5	40	GHBB	
COc1ccccc1OCC(=O)Nc1ccc2c(=O)c3ccccc3oc2c1	6660228	VLZUVEBNFFKRJY-UHFFFAOYSA-N	375.380	3.972	5	40	GHBB	
COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)O	6862923	NIIINIMYTDLHPJ-XVNBXDOJSA-N	386.385	3.847	5	40	GHBB	
CN(C)c1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-]	40110672	MZRILAZNXPHZAT-UHFFFAOYSA-N	392.415	3.778	5	40	GHBB	
O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5656570	QNEUQSMNBKDYTN-UHFFFAOYSA-N	394.836	3.950	5	40	GHBB	
COc1cc(C(=O)O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	7603954	HHBDKPJSHLLKSW-UHFFFAOYSA-N	382.166	3.643	5	40	GHBB	
CCOc1ccc(CC(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1	4120677	FVALJTXRZPBKCT-UHFFFAOYSA-N	399.472	3.668	5	40	GHBB	
COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-]	6789656	JKKJGWLXPHRFEN-IBGZPJMESA-N	386.404	3.502	5	40	GHBB	
CC(C)Nc1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3ccccc3nc12	9516971	ZDQIYXHWDNSHGG-UHFFFAOYSA-N	391.402	3.744	5	40	GHBB	
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl	225565448	BNGHRKONAGIFJG-UHFFFAOYSA-N	390.823	3.944	5	40	GHBB	
O=C(Nc1nc(-c2cccs2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8834515	HPLRCTGGJHRAFX-UHFFFAOYSA-N	376.375	3.940	5	40	GHBB	
O=[N+]([O-])c1ccc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccncc12	23381282	OLRVDSJUUUYGGO-OAQYLSRUSA-N	396.422	3.768	5	40	GHBB	
Cc1ccc(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1	48274196	RUOCMWBZXNGDLG-UHFFFAOYSA-N	378.432	3.805	5	40	GHBB	
COc1cc(C(=O)OCc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC	3512919	SLHZLBPZPRKCER-UHFFFAOYSA-N	396.193	3.732	5	40	GHBB	
Cc1nc(-c2cccc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)c2)n[nH]1	83996423	ITDYVOPLFVZIHV-UHFFFAOYSA-N	375.335	3.902	5	40	GHBB	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	95829256	DWMFMARYMJVVIV-UHFFFAOYSA-N	375.347	3.671	5	40	GHBB	
Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1	10142161	FZGMMBFSQSUIOT-QMMMGPOBSA-N	383.813	3.506	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2ccccc2F)c1=O	5270441	AKTPYYGZMYWTCX-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])c1	32907178	SDHGMPWBFLDHMB-UHFFFAOYSA-N	386.379	3.646	5	40	GHBB	
O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4840248	ARIUHJULSHTFFX-UHFFFAOYSA-N	393.399	3.716	5	40	GHBB	
O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1Cl	7656288	GZBOJJYQEUNGJJ-UHFFFAOYSA-N	377.715	3.794	5	40	GHBB	
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	8313804	KUJBQLYHTFBGPL-UHFFFAOYSA-N	397.362	3.705	5	40	GHBB	
Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C	408627836	OGARNZSQFXGILX-UHFFFAOYSA-N	398.488	3.939	5	40	GHBB	
COc1ccc(CC[N+]2(C)COc3cc4oc(=O)cc(C)c4cc3C2)cc1OC	1689537	JRZNIBFSAMOQTM-UHFFFAOYSA-N	396.463	3.658	5	40	GHBB	in-vitro
COC(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1	24452557	OJTVYOTVNBZSNB-LLVKDONJSA-N	376.796	3.868	5	40	GHBB	
Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccnc2)c2ccccc2)c([N+](=O)[O-])c1	5444430	CYTXYRYLSNSNEC-IBGZPJMESA-N	391.383	3.835	5	40	GHBB	
CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	3567313	VZGDSWRTKKOCNX-UHFFFAOYSA-N	380.809	3.766	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1	4896577	DMKBGDMVFMATHT-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COc1ccc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1	6249483	VAGRMKHVQWOYMT-OAHLLOKOSA-N	383.448	3.770	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])N1c2ccccc2CCc2ccccc21	25539488	ZWOHHJPLICSVAL-UHFFFAOYSA-N	375.384	3.832	5	40	GHBB	
C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	6544071	MLXHWHZKKSFJAQ-GFCCVEGCSA-N	384.417	3.688	5	40	GHBB	
C[C@@H]1CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1	226316287	MKHZRQNRGWGETL-HTQZYQBOSA-N	394.063	3.733	5	40	GHBB	
CC[C@H]1c2ccccc2CCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	609621456	MIRNBHRJTTZJRH-IBGZPJMESA-N	391.431	3.634	5	40	GHBB	
CCc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	17078859	SAAPGQPZSDLPHU-UHFFFAOYSA-N	386.458	3.894	5	40	GHBB	
CCOc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH]c2c1	2656623	CMHBBAONBCJILF-UHFFFAOYSA-N	390.396	3.740	5	40	GHBB	
O=C(N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccnc1	832942	LHINQWHBMNBRJG-ZDUSSCGKSA-N	389.626	3.528	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21	4598692	PNGHHRJARKDWPO-UHFFFAOYSA-N	378.310	3.910	5	40	GHBB	
Cc1nnc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n1C1CCCCC1	6652332	MCEFSTMUABUBEZ-UHFFFAOYSA-N	393.444	3.870	5	40	GHBB	
Cc1ccc(/C(O)=C(/C(=S)NCc2ccco2)[n+]2ccccc2)cc1[N+](=O)[O-]	15953173	ZRGSGGRNVHYNKQ-UHFFFAOYSA-O	396.448	3.785	5	40	GHBB	
CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	8051662	KASBYMFTXQJUSB-UHFFFAOYSA-N	388.367	3.654	5	40	GHBB	
Cc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2CCC(N)=O	5614791	YKMCOVSQTYBABF-JOCHJYFZSA-N	393.443	3.678	5	40	GHBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(Br)o1	2637921	IAVZLDYMKDIXAX-UHFFFAOYSA-N	398.238	3.694	5	40	GHBB	
Cc1cc2oc(=O)cc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C	58160172	PTXGVQHLAZDYQH-UHFFFAOYSA-N	393.443	3.640	5	40	GHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCSc2ccc(F)cc21	11717659	BGQABVPWRYIHFJ-CQSZACIVSA-N	375.425	3.889	5	40	GHBB	
CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	11707667	IZXDSHLYFFKNAJ-ZIAGYGMSSA-N	387.436	3.680	5	40	GHBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3ncccc3o2)c1O	13946342	JMHZGTAPBSBYMX-UHFFFAOYSA-N	380.316	3.657	5	40	GHBB	
Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)c1	408573597	TXTAXAIQVQOCSB-QGZVFWFLSA-N	399.432	3.902	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)COc1ccccc1C	408627565	LSXCARGYCXLNQJ-UHFFFAOYSA-N	393.852	3.757	5	40	GHBB	
CC1(C)OC(=O)C([C@@H](c2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)C(=O)O1	39223250	QETKRDLXHJLCFV-KRWDZBQOSA-N	394.383	3.660	5	40	GHBB	
Cc1ccccc1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	5086900	HMRUYGVEBKCNON-UHFFFAOYSA-N	396.321	3.646	5	40	GHBB	
Cc1cccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1	3158522	GGYHPXQDCDMBBT-UHFFFAOYSA-N	377.312	3.765	5	40	GHBB	
Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1	12947990	XDIPEUIDVCVCMK-UHFFFAOYSA-N	377.813	3.515	5	40	GHBB	
Cc1c(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cccc1[N+](=O)[O-]	408628393	SHENJTWYXJPXFP-UHFFFAOYSA-N	390.421	3.779	5	40	GHBB	
O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	6236783	QMIVXIYNNREBKW-UHFFFAOYSA-N	385.489	3.888	5	40	GHBB	
CCc1ccc(-c2noc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1	23030753	KOJXDXSUNSPNCN-UHFFFAOYSA-N	393.447	3.529	5	40	GHBB	
Cc1cc(C)n(-c2ccccc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)n1	25014597	WSVDUXCEBNUVJM-UHFFFAOYSA-N	376.376	3.526	5	40	GHBB	
Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-]	29083145	SPQNQGCMWXSPAL-UHFFFAOYSA-N	395.459	3.625	5	40	GHBB	
Cc1cccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)c1[N+](=O)[O-]	13159906	HAYLGVGXXAMYRM-UHFFFAOYSA-N	384.432	3.542	5	40	GHBB	
Cc1ccc(SCCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	7740256	DCDHCAIDOYFYLW-UHFFFAOYSA-N	389.429	3.995	5	40	GHBB	
O=C(Nc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1ccccc1	8434726	XRGNXIWKINFZGZ-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8445692	FQOBIYGKSGEKNJ-UHFFFAOYSA-N	396.315	3.601	5	40	GHBB	
C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1F	8020184	AXILYTUDGMOZEP-CYBMUJFWSA-N	389.402	3.967	5	40	GHBB	
COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	408621934	MVXATRUDPWITIB-XVNBXDOJSA-N	377.740	3.817	5	40	GHBB	
COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1	8332496	HVPQHDDZACMAMR-VXPUYCOJSA-N	383.429	3.720	5	40	GHBB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	16037234	GYTQWQDOZABPNL-NCYKPQTJSA-N	387.395	3.664	5	40	GHBB	
Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-]	12977639	VAUIGLPZFXJBBV-QGZVFWFLSA-N	380.853	3.986	5	40	GHBB	
CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Br)cc1	224736141	FXCPXQLWUTYIMW-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
O=[N+]([O-])c1c(Sc2nnc(C3CC3)n2-c2ccccc2)nc2ccccn12	23043451	DFLZINUKJRVDLU-UHFFFAOYSA-N	378.417	3.852	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1	7979701	HNMDZBKNMZDVHD-NSHDSACASA-N	399.419	3.733	5	40	GHBB	
CC(=O)N1N=C(c2cc(Cl)nc(Cl)c2)O[C@H]1c1ccc([N+](=O)[O-])cc1	2570429	YWJOELAHIKLXJK-HNNXBMFYSA-N	381.175	3.536	5	40	GHBB	
COc1ccc(CCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	6249306	HRXLWKXUTPYRJJ-UHFFFAOYSA-N	383.448	3.566	5	40	GHBB	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1	6123549	LMHXOSMZPABOLK-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C	4834684	AORGKUAGLDEJIE-UHFFFAOYSA-N	377.784	3.776	5	40	GHBB	
COc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1	1005546	GMUCMIPFJXRKTC-CXUHLZMHSA-N	385.401	3.709	5	40	GHBB	
CC(C)(C)OC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	7168459	LZQBCUBCYUHIEJ-UHFFFAOYSA-N	386.404	3.705	5	40	GHBB	
O=[N+]([O-])c1cc([C@H]2SCCN2S(=O)(=O)c2ccccc2)ccc1Cl	855143	UZZKEWSHKCWTBX-OAHLLOKOSA-N	384.866	3.685	5	40	GHBB	
CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1[N+](=O)[O-]	54702537	JSNBEEPNTZVQCP-LJQANCHMSA-N	375.388	3.803	5	40	GHBB	
CNC(=O)c1ccc(Sc2nccn2-c2ccc(C)cc2C)c([N+](=O)[O-])c1	64904923	XADGIMRROCAOGB-UHFFFAOYSA-N	382.445	3.908	5	40	GHBB	
O=C(CCC(=O)c1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])cc1	62580181	FMUGKDZSSFCXEY-UHFFFAOYSA-N	391.221	3.637	5	40	GHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)ccc1Cl	408628017	PMLRSHUJMGCSKE-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
COC(=O)c1cccc(COC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1	32672173	HNMHKPGPSIVMLD-GFCCVEGCSA-N	375.402	3.605	5	40	GHBB	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	40152981	IWZLKNXJANLWLA-LJQANCHMSA-N	383.452	3.508	5	40	GHBB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	4976321	JLXMMQVBTYKLIE-UHFFFAOYSA-N	397.460	3.528	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(Br)cc1	6549309	UDXMHTTYYMBPLU-JTQLQIEISA-N	394.225	3.805	5	40	GHBB	
O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@H]1C[C@H]1[N+](=O)[O-]	105664751	ICBSIEOIQLMMSU-QMTMVMCOSA-N	383.835	3.735	5	40	GHBB	
Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	55592176	ZTTOZTRLQDTKDH-UHFFFAOYSA-N	391.449	3.607	5	40	GHBB	
Cc1ccc(-c2nc(COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)cs2)cc1	3386214	TYHWEVJLILYXRW-UHFFFAOYSA-N	386.433	3.583	5	40	GHBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1	48310355	OCANHHDRTPSQPM-IYBDPMFKSA-N	396.491	3.706	5	40	GHBB	
CCCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O	409223541	ZZGVTMPLDNZXLP-LCYFTJDESA-N	375.768	3.811	5	40	GHBB	
C[C@@H]1CCCN(Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1	40106639	LLVHVTCVVGCPMY-QGZVFWFLSA-N	397.475	3.522	5	40	GHBB	
COc1cccc(-c2cc(C(=O)O)c3c(-c4ccc([N+](=O)[O-])cc4)[nH]nc3n2)c1	20904213	XGTYUCMWKHHEFH-UHFFFAOYSA-N	390.355	3.907	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C)n1-c1ccccc1	897351	QIVPNYUQPLMUJL-UHFFFAOYSA-N	383.433	3.523	5	40	GHBB	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1	2621035	FQRWHDFUQSNQQA-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	793710	VGLKGXSDUDVDMU-SFHVURJKSA-N	381.388	3.703	5	40	GHBB	
COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20491684	KIMBRXLBNLFKRH-MRXNPFEDSA-N	378.450	3.669	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)cc1	5032091	CQTGQCGDQYULOO-UHFFFAOYSA-N	380.408	3.721	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2cccc(Cl)c2)c1=O	5270538	IUOOMKWCEHIPDU-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CCOc1cc2c(cc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2	32848683	HKLCCKVZICBFBO-LBPRGKRZSA-N	387.388	3.683	5	40	GHBB	
COc1cc(OC)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	7641880	VYJRMRIQIJACFU-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N(CCO)c1ccccc1	104754976	HJWBHEXPNBZSEF-UHFFFAOYSA-N	382.423	3.903	5	40	GHBB	
Cc1c(C(=O)Nc2ccc(Br)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4524547	ABJMFJYAUSHREX-UHFFFAOYSA-N	398.144	3.965	5	40	GHBB	
CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1	4703030	OBTUYYZQUBSQHZ-MRXNPFEDSA-N	381.432	3.929	5	40	GHBB	
CCOC(=O)N1CCN(C(=S)Nc2ccc3cc4ccccc4nc3c2)CC1	6630328	BURBKUBEGRKSRR-UHFFFAOYSA-N	394.500	3.859	5	40	GHBB	
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1	2202440	LVXNJIJKBCSPBQ-UHFFFAOYSA-N	376.412	3.512	5	40	GHBB	
CC[C@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	6624290	BNNZZLGTCPGWHM-AWEZNQCLSA-N	399.450	3.885	5	40	GHBB	biogenic
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1	9154682	JQICQJVUQZRJAP-UHFFFAOYSA-N	387.392	3.659	5	40	GHBB	
CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	40061683	FSGSGMOWIGGSCD-LBPRGKRZSA-N	393.417	3.663	5	40	GHBB	
Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc([N+](=O)[O-])c3C)nn12	227142979	NWWNQDPQUJTWNJ-UHFFFAOYSA-N	391.416	3.693	5	40	GHBB	
O=C(O)c1cn(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12	226368134	KDKPDYBSXGSAJX-UHFFFAOYSA-N	389.161	3.699	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(Cl)c2)NC(=O)N1	5865229	LCFDOYAMRDAHFY-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
Cc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2c1	4594454	PMDCCNMMJWQECA-UHFFFAOYSA-N	387.461	3.522	5	40	GHBB	
Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-]	1464949	NFYHJXPCJYUKLC-UHFFFAOYSA-N	389.458	3.796	5	40	GHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(I)cc1	3310116	HALOJAPPJXNPFB-UHFFFAOYSA-N	383.141	3.556	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)cc1	5033420	RYGYBPYTNGOYDZ-UHFFFAOYSA-N	384.371	3.992	5	40	GHBB	
CSc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-]	5368147	HPPGLMOVUQLGJM-UHFFFAOYSA-N	398.799	3.905	5	40	GHBB	
Cc1nc(-c2ccc(CCNC(=O)c3ccc(N)c([N+](=O)[O-])c3)s2)cs1	12396583	QLXINGALNBZRNO-UHFFFAOYSA-N	388.474	3.643	5	40	GHBB	
O=C(NCc1cccnc1N1CCOCC1)c1cc2ccccc2c2cccnc12	45883005	XJSMCYWNVLGLBL-UHFFFAOYSA-N	398.466	3.550	5	40	GHBB	
CCOC(=O)c1c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCC2	5332620	SHPNKNNSDOLMFS-UHFFFAOYSA-N	377.378	3.974	5	40	GHBB	
CCN(CC)c1ccc(C(=S)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	5658462	IIFBLQWVCXLFPK-UHFFFAOYSA-N	398.532	3.939	5	40	GHBB	
O=C(OCC(=O)c1ccccc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4840094	JUUCAKVMBDCRJT-UHFFFAOYSA-N	386.379	3.764	5	40	GHBB	
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	7984554	QVXOMMQEWRHMFM-CQSZACIVSA-N	394.383	3.767	5	40	GHBB	
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	7976485	JKRSNAVZEGXGAL-SECBINFHSA-N	375.435	3.561	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)Cc2cccc(O)c2)CC1	95365190	ZNUJHMJMPBLHIF-UHFFFAOYSA-N	383.448	3.809	5	40	GHBB	
O=C(NCc1csc(-c2ccccc2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc12	36397521	JNRFHUNPGCNHIR-UHFFFAOYSA-N	379.401	3.525	5	40	GHBB	
Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1-c1ccccc1	48311191	VKVPETMSXUVHPV-UHFFFAOYSA-N	394.416	3.733	5	40	GHBB	
NC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1	2660819	MLQJBXWOKFESCA-UHFFFAOYSA-N	380.331	3.856	5	40	GHBB	
O=C(O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1	4838093	HHPCAQCBQSNNRF-SFQUDFHCSA-N	378.340	3.710	5	40	GHBB	
CC(C)CCn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21	2210586	TWWWUBZIVQTABW-OAHLLOKOSA-N	391.475	3.520	5	40	GHBB	
CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	12805313	HALJHPHTZOKMBD-MRXNPFEDSA-N	398.415	3.742	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1F	5102203	AYQJPWHWIFNYOQ-UHFFFAOYSA-N	399.172	3.523	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3o2)CC1	7169361	QGXMCWOQPHBCLH-UHFFFAOYSA-N	381.388	3.521	5	40	GHBB	
CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	15544541	RTTDSYYZRMTADP-BRADTZPFSA-N	384.388	3.577	5	40	GHBB	
CCOc1ccc(-n2ccnc(SCc3ccc([N+](=O)[O-])cc3)c2=O)cc1	12415376	HHHHVUUIBMHYCJ-UHFFFAOYSA-N	383.429	3.832	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	6220947	ZLCMUEUTZLBXDI-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
O=C(O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1	6505307	JESIPYYDCRKROU-CYBMUJFWSA-N	383.187	3.847	5	40	GHBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(F)cc1	44804394	BEVODUPGNPBTRO-UHFFFAOYSA-N	386.379	3.764	5	40	GHBB	
CC(=O)Nc1c([N+](=O)[O-])cc(NS(=O)(=O)c2ccccc2)c2ccccc12	4148315	CQRSKOUWGCUMBJ-UHFFFAOYSA-N	385.401	3.507	5	40	GHBB	
Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1[N+](=O)[O-]	6045708	FKFONUYCRJLLDD-UHFFFAOYSA-N	388.379	3.788	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)OCO3)CC1	5688194	SGXLZDUYBOLETM-UHFFFAOYSA-N	383.404	3.812	5	40	GHBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ncc(Cl)cc1Cl	6509483	RKRLVILDTHKQOG-UHFFFAOYSA-N	398.231	3.904	5	40	GHBB	
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	4808291	TUJWVMOXDODKMV-LLVKDONJSA-N	376.796	3.995	5	40	GHBB	
O=C(NCC1CCCCCCC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	95364890	PFCKNXBZTMHDMF-OAHLLOKOSA-N	391.443	3.564	5	40	GHBB	
CCOC(=O)c1cc(C(=O)OCCOc2ccccc2Cl)cc([N+](=O)[O-])c1	21377674	HRDCCOFVXJHGOK-UHFFFAOYSA-N	393.779	3.661	5	40	GHBB	
COc1cc2c(cc1Br)CCNC[C@@H]2c1ccc([N+](=O)[O-])cc1	616567703	VHENDZWMZOGBJT-OAHLLOKOSA-N	377.238	3.644	5	40	GHBB	
Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2n1	2059029	YADLKHPTGWOYAS-UHFFFAOYSA-N	378.793	3.873	5	40	GHBB	
O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1cccc([N+](=O)[O-])c1	408561938	LVKYAKFABXNBLH-UHFFFAOYSA-N	385.401	3.526	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cl	4851778	DPQFNVDWJFGNLC-UHFFFAOYSA-N	394.880	3.892	5	40	GHBB	
O=C(c1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	9592193	CBSFBIPXJZJSFG-UHFFFAOYSA-N	391.339	3.986	5	40	GHBB	
Cc1ccc(Cl)cc1N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1	408712641	DKSQQYYBWLFOPX-UHFFFAOYSA-N	375.812	3.581	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-]	5785657	KPBRUQVVGZWXMK-JCKWVBRZSA-N	393.436	3.764	5	40	GHBB	
CCOC(=O)C(Oc1ncccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1	16682197	JSMFSOAJVJMYQK-UHFFFAOYSA-N	378.384	3.876	5	40	GHBB	
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1	6461146	DAEWBKONNJCALS-UHFFFAOYSA-N	391.383	3.865	5	40	GHBB	
Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	5693137	QCHDLCWSFPPBOY-UHFFFAOYSA-N	382.416	3.852	5	40	GHBB	
Cc1nn2c(nc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1Cl	16737776	KTEVEEDQMURJNY-INIZCTEOSA-N	397.822	3.898	5	40	GHBB	
O=C(NC[C@H](O)c1ccc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1	31309835	IZTBETSHMDUQRG-AWEZNQCLSA-N	378.356	3.551	5	40	GHBB	
COc1ccc(Nc2nc(N(CCO)c3ccccc3)nc(C)c2[N+](=O)[O-])cc1	5336454	NLNMLRBBXKCRDD-UHFFFAOYSA-N	395.419	3.576	5	40	GHBB	
O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F	2468349	HKRVJRSAUPKPHG-UHFFFAOYSA-N	390.371	3.790	5	40	GHBB	
COc1ccc2[nH]cc([C@@H]3c4c(cc5c(c4OC)OCO5)CC[N+]3(C)C)c2c1	1280367	SIFMCLPOJIACIH-HXUWFJFHSA-N	381.452	3.636	5	40	GHBB	biogenic
CC(C)CNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	69516051	CWZHLVSZPMVCJN-UHFFFAOYSA-N	375.812	3.886	5	40	GHBB	
CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1	5347365	CMHXAXHHVGQYSI-UHFFFAOYSA-N	378.450	3.513	5	40	GHBB	
COc1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1	5600618	FZNRUWFUDXBDNK-RUDMXATFSA-N	378.331	3.534	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4896582	ZICVVFQMRKNAKS-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	20140433	QYIJHKPCNIFOPK-UHFFFAOYSA-N	382.328	3.814	5	40	GHBB	
COc1ccc(NS(=O)(=O)c2ccc(NCCC(C)C)c([N+](=O)[O-])c2)cc1	89821163	NDGNMWJKSBEIPZ-UHFFFAOYSA-N	393.465	3.862	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nc(CCNc3ccc(Br)cc3)n[nH]2)c1	64873681	OCEBUXVFRYYGKC-UHFFFAOYSA-N	388.225	3.797	5	40	GHBB	
CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCCOCC)cnc21	2421451	XFBLEWGJEPSUGB-UHFFFAOYSA-N	379.464	3.521	5	40	GHBB	
CCOc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F	47322860	FYSSDWWKWOEMID-UHFFFAOYSA-N	381.335	3.917	5	40	GHBB	
Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)nc1-c1ccccc1	4426534	PEAORGRZJXVHQV-UHFFFAOYSA-N	383.385	3.977	5	40	GHBB	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(OC(F)F)cc1	16587327	VZWSAZUNABIPHM-GFCCVEGCSA-N	379.363	3.655	5	40	GHBB	
O=C(Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cccc([N+](=O)[O-])c1	8328844	XPXNJIWIOMRUJS-UHFFFAOYSA-N	379.246	3.939	5	40	GHBB	
Cc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	7307135	FNTAALLSVWHTAO-HXUWFJFHSA-N	382.441	3.971	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCCC3)cc1	3332662	NWZBZFBFZQZIRX-UHFFFAOYSA-N	391.431	3.761	5	40	GHBB	
CCn1c(-c2ccncc2)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1=S	36395917	OXJHRKYTTODDJV-CYBMUJFWSA-N	396.476	3.813	5	40	GHBB	
O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1	5018663	OOAHVQHGOXNXOJ-UHFFFAOYSA-N	399.378	3.720	5	40	GHBB	
Cc1cccc2[nH]c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc3c12	5216061	UADBXWAJRMFGLF-UHFFFAOYSA-N	388.431	3.654	5	40	GHBB	
Cc1ccc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2n1	16348869	XJJZBEFAUJUVFD-UHFFFAOYSA-N	392.415	3.540	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCN1CCCc2ccccc21	218054815	NWAQTQFLODAROS-UHFFFAOYSA-N	399.516	3.787	5	40	GHBB	
O=C(OCc1csc(-c2ccccc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2	32724188	PABFKGPTTGUBAF-UHFFFAOYSA-N	384.369	3.804	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	793706	XSLOHLKYNKARMC-SFHVURJKSA-N	381.388	3.703	5	40	GHBB	
CCCOc1ccc(OCCOc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1	26270645	PLGCDISMAHLMSK-UHFFFAOYSA-N	375.377	3.628	5	40	GHBB	
O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	5687980	RRCPTISPVHFQBJ-UHFFFAOYSA-N	397.431	3.634	5	40	GHBB	aggregator
CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1Cl	6760223	JRSGYOMHVWKSRM-UHFFFAOYSA-N	386.795	3.961	5	40	GHBB	
CC(C)CCN/C=C1/C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21	8560440	JGSWWQVWDBUUSU-GHRIWEEISA-N	379.416	3.758	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1csc(-c2ccccc2)n1	4166829	ZJUYVOBJEUTNJJ-UHFFFAOYSA-N	389.458	3.505	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)o1	8902539	VJRKEBDMFLISSS-UHFFFAOYSA-N	393.399	3.944	5	40	GHBB	
O=C1c2ccccc2C(=O)N1c1cc(Sc2ccccn2)cc([N+](=O)[O-])c1	13208227	OEKSRHWIVVHDKU-UHFFFAOYSA-N	377.381	3.942	5	40	GHBB	
COc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1	4894270	IYBDYRHEIUHNGL-UHFFFAOYSA-N	385.420	3.611	5	40	GHBB	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	7257857	MPCBBFJIHBLCOF-UHFFFAOYSA-N	391.431	3.627	5	40	GHBB	
Cc1nc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cs1	4353997	QAPCUZXWAQHEGK-UHFFFAOYSA-N	375.431	3.828	5	40	GHBB	
CCN(CC)CCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12	8767029	SVNLFUPLTNOJCY-UHFFFAOYSA-N	380.448	3.653	5	40	GHBB	
CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl	3590823	YRFZAKSSSMQYJX-UHFFFAOYSA-N	376.796	3.915	5	40	GHBB	
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc([N+](=O)[O-])c3)NC(=O)CCN21	5201144	LQWIDHPJWSCABT-XBFAEUMISA-N	377.444	3.930	5	40	GHBB	
CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	6624553	YVDCKTSEMRWXNJ-CQSZACIVSA-N	399.450	3.884	5	40	GHBB	biogenic
O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F	32100794	UQNKHHXRRVAYIU-MRXNPFEDSA-N	385.342	3.628	5	40	GHBB	
CC(=O)n1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c2ccccc21	408718049	FOCSVIKSIUDUSQ-MFOYZWKCSA-N	389.367	3.863	5	40	GHBB	
O=C(c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	3043673	JCYGSVRRIFFJPN-UHFFFAOYSA-N	376.324	3.965	5	40	GHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1I	5583760	RXXSSZYBLOHQQI-UHFFFAOYSA-N	386.120	3.591	5	40	GHBB	
COCCNc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1[N+](=O)[O-]	10377276	YPRCSBJPCZGJCN-QGZVFWFLSA-N	377.466	3.842	5	40	GHBB	
Cc1cc2nc3c4cc(F)ccc4n(CCN4CCOCC4)c3nc2cc1C	13691266	VNUHOPRLJXYGAY-UHFFFAOYSA-N	378.451	3.826	5	40	GHBB	
C[C@H]1C[C@@H](C)CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1	13758668	NXWIWMCDJGWCDM-TXEJJXNPSA-N	390.875	3.715	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccccc1OC(F)F	24862702	IAFMKRYVKMMCTC-LBPRGKRZSA-N	379.363	3.828	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCOc1ccccc1Cl	40095063	QEEKTBBDUYPLAV-UHFFFAOYSA-N	379.800	3.800	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCc3ccccc3C2)C1	408607364	LHPWCKOFTFORJF-SFHVURJKSA-N	399.878	3.911	5	40	GHBB	
O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12	911198	OPVWJSWIFMUYFP-WQRHYEAKSA-N	389.392	3.625	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Br)c(Cl)c1	3183591	PCBGYLDYNTUNEP-UHFFFAOYSA-N	381.569	3.811	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CCCCC1	12137640	ZZDSSYHAFOIYTC-UHFFFAOYSA-N	397.431	3.675	5	40	GHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1	16196656	UJAGMJMFYLUNJO-SECBINFHSA-N	395.824	3.549	5	40	GHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nc(C(F)F)cc3C)nc12	17081672	FWYLXJVTKQOPTN-UHFFFAOYSA-N	399.430	3.995	5	40	GHBB	
O=C(CCn1cnc([N+](=O)[O-])c1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1	24578230	WOQQQHUKYFYSNG-UHFFFAOYSA-N	397.460	3.822	5	40	GHBB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1	409133059	MEVBVRTWAQJZCV-FQEVSTJZSA-N	395.440	3.910	5	40	GHBB	
O=c1c2ccc3c(=O)n(-c4ccccc4)c4ccc(c(=O)n1-c1ccccc1)c2c34	820728	FYGWGJUEGMIZJK-UHFFFAOYSA-N	390.398	3.684	5	40	GHBB	
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])n2)cc1	5211168	UBCKZGMFCODLSN-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc([N+](=O)[O-])c1	5600562	CHXTWULCCZKIBF-QPJJXVBHSA-N	379.275	3.756	5	40	GHBB	
CCOC(=O)C1CCN(C(=S)Nc2cc3cccnc3c3cccnc23)CC1	5979578	ZMZMUKUPPGVQNY-UHFFFAOYSA-N	394.500	3.755	5	40	GHBB	
CSc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	6046340	SCUIUVRCHLQDCQ-QGZVFWFLSA-N	398.444	3.583	5	40	GHBB	
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc(C(F)(F)F)cc1	6789135	DHBXTWWYDKDZFH-LZCJLJQNSA-N	380.278	3.994	5	40	GHBB	
Cc1c(Cl)cc(S(=O)(=O)N(C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-]	24441293	PIDBAGZHZBIYFO-UHFFFAOYSA-N	390.795	3.656	5	40	GHBB	
O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1	55833518	RYGPSTJUKSCVNN-UHFFFAOYSA-N	393.374	3.916	5	40	GHBB	
O=C(Nc1ccc(CN2CCOCC2)cn1)c1cc2ccccc2c2cccnc12	95976313	VUYUSHSPGHQJFE-UHFFFAOYSA-N	398.466	3.868	5	40	GHBB	
CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-]	20142471	OQUGNHNGSPNZCO-UHFFFAOYSA-N	382.372	3.998	5	40	GHBB	
O=[N+]([O-])c1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)cc1	29740411	WGCUKNWCTOHTQG-UHFFFAOYSA-N	396.472	3.663	5	40	GHBB	
O=C(NCc1ccccc1CN1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12	95447703	JLGBCGBTOPYFKY-UHFFFAOYSA-N	392.459	3.992	5	40	GHBB	
O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc([N+](=O)[O-])c1	8310398	AJOKOFGAVISNQZ-GOSISDBHSA-N	397.431	3.532	5	40	GHBB	
C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-]	32930738	GJJMLHVIONNBDD-QGZVFWFLSA-N	397.475	3.664	5	40	GHBB	
CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	6852278	NIWRWBSSLGCLMI-UHFFFAOYSA-N	398.246	3.851	5	40	GHBB	
O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc([N+](=O)[O-])cc1	5212784	DEKOIJCTACGIQW-UHFFFAOYSA-N	386.458	3.819	5	40	GHBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O	215245523	JJRGUQONWCINRF-CXUHLZMHSA-N	386.385	3.546	5	40	GHBB	
Cc1cccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1	3044970	QOJWLBRYQDOTMJ-UHFFFAOYSA-N	392.327	3.588	5	40	GHBB	
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1[N+](=O)[O-]	5127352	AKMAQBBPYNQMIY-UHFFFAOYSA-N	392.839	3.946	5	40	GHBB	
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	5781438	RLWSNSCHFYLBBK-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
COc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-]	7983890	SZWPZNUNMJOXCZ-UHFFFAOYSA-N	394.431	3.678	5	40	GHBB	
COP(=O)(OC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccco1	16749968	PVFKCOJNUREKDY-UHFFFAOYSA-N	393.292	3.566	5	40	GHBB	
O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc([N+](=O)[O-])cc1	19928191	ZBBIUDZUUFYUQY-UHFFFAOYSA-N	389.824	3.764	5	40	GHBB	
COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1OC	27663228	YZSWIMGQRBYNOP-UHFFFAOYSA-N	393.399	3.854	5	40	GHBB	
CN(C)C[C@H](O)COc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	57985290	FIKXITXQZJVLCG-AWEZNQCLSA-N	399.369	3.659	5	40	GHBB	
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	24394619	WMVODBNBJHBSKR-UHFFFAOYSA-N	384.823	3.765	5	40	GHBB	
COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC	59386054	DPFSKMUKWVFUPQ-UHFFFAOYSA-N	378.812	3.628	5	40	GHBB	
O=C1N[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc21	5584258	HTYSAXLMIYKFSC-NRFANRHFSA-N	376.368	3.995	5	40	GHBB	
COc1ccc(Cc2nnc3sc(/C=C/c4ccc([N+](=O)[O-])cc4)nn23)cc1	8392993	KKOKCKNCLFTJAA-IZZDOVSWSA-N	393.428	3.864	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC	1518300	CJTKYKOEIRWRGY-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-]	4286712	KIGPHHLTARAQND-ZDUSSCGKSA-N	381.388	3.579	5	40	GHBB	
CN(C)[C@@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	5637728	SGWRZQPYWHWIIL-NRFANRHFSA-N	396.491	3.618	5	40	GHBB	
Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	6479578	VVHDYPAZLSSDKE-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1	6561379	NMEABTKFPSMLPF-GOSISDBHSA-N	397.456	3.868	5	40	GHBB	
Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-]	7532327	CLRWCBGAOREYQG-RDTXWAMCSA-N	382.416	3.642	5	40	GHBB	
Cc1c(Cl)c(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc2ccccc12	16213352	QESOOPVGQYGYEB-UHFFFAOYSA-N	381.775	3.901	5	40	GHBB	
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@@H](C)C3)c(O)n2n1	23157574	ZEIJEQYZXPMRKI-ABAIWWIYSA-N	387.465	3.534	5	40	GHBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1ccccc1Br	27951660	JQDIFLTUDJGNML-LLVKDONJSA-N	399.266	3.705	5	40	GHBB	
Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	33654444	SGLFGPVCAKJOPP-UHFFFAOYSA-N	382.401	3.685	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCc3ccccc3C2)C1	408611446	SEKCVRPVERJDMI-QGZVFWFLSA-N	385.851	3.521	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12	2707879	JLHSTYUEACNVRA-UHFFFAOYSA-N	376.409	3.654	5	40	GHBB	
COc1cc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1OC	4678474	XQYFMIRHHHPXEC-UHFFFAOYSA-N	398.419	3.633	5	40	GHBB	
Cc1cc2ncn(-c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])c2cc1C	7780398	VTVWJIKRGBEASL-UHFFFAOYSA-N	399.350	3.844	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1	8050923	HHTONDORZSAIFP-GFCCVEGCSA-N	381.429	3.594	5	40	GHBB	
NC(=O)c1ccc(CN2CCc3sccc3[C@H]2c2cccs2)c([N+](=O)[O-])c1	23990168	JLCZQHHHWIQFNA-SFHVURJKSA-N	399.497	3.964	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-]	31960538	SFHCNIBMLQRTQH-UHFFFAOYSA-N	388.445	3.872	5	40	GHBB	
Cc1c(CO)cc([N+](=O)[O-])c(N(C)Cc2c(F)cccc2Cl)c1[N+](=O)[O-]	95469791	NCXRVPMRLQCVJE-UHFFFAOYSA-N	383.763	3.733	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)cc1[N+](=O)[O-]	408628585	VDEMBLDZAZKKAE-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	408637932	AVZIAUKDCFNYOJ-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
Cc1nn(Cc2ccccc2C(=O)NCc2ccc(F)cc2)c(C)c1[N+](=O)[O-]	2796318	MGJNNECTUKNZSM-UHFFFAOYSA-N	382.395	3.526	5	40	GHBB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([N+](=O)[O-])cc1Cl	7721327	NXXVNTSUIOENBD-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
Cc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1	8586521	HGBWOZHXALXGBQ-UHFFFAOYSA-N	377.400	3.910	5	40	GHBB	
O=C(COCc1ccccc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	95350828	WYBKBVJTWLHFFJ-UHFFFAOYSA-N	392.795	3.565	5	40	GHBB	
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	215018282	BHGNGJDTLHFLDR-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(OCCn2cccn2)c1	40134874	OUPZGZNJJYWUIN-MDZDMXLPSA-N	378.388	3.522	5	40	GHBB	
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O	31661384	AHUCOUXARCAPAI-QGZVFWFLSA-N	393.321	3.581	5	40	GHBB	
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	5845514	YUYXWMHNQWOELU-OAQYLSRUSA-N	381.432	3.860	5	40	GHBB	
Cc1cccc(Cn2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2=O)c1	10187883	RAEPJVGCLCILTQ-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1CCC1=CCCCC1	38829222	YGOHFMMPGKKSAN-UHFFFAOYSA-N	398.466	3.986	5	40	GHBB	
C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1	44771195	YHLROSGHYKFOMX-ZWNOBZJWSA-N	384.841	3.785	5	40	GHBB	
COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	12795665	AYZGTNJNILSDHL-MRXNPFEDSA-N	398.415	3.742	5	40	GHBB	
Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccco1	2445193	VAJJBLBKGBGBAL-UHFFFAOYSA-N	397.434	3.865	5	40	GHBB	
CCc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1	12982937	USVIUMAFFPZLOR-SFHVURJKSA-N	397.456	3.744	5	40	GHBB	
O=[N+]([O-])c1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1	66325916	YCSTXMIJSXRRHQ-UHFFFAOYSA-N	376.254	3.680	5	40	GHBB	
CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1	6719720	UXOFOKZSTUMGFJ-UHFFFAOYSA-N	398.806	3.609	5	40	GHBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	4979690	UDDSAOHHBQLLFQ-RVKKMQEKSA-N	393.436	3.521	5	40	GHBB	
Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	59200744	GKRKALSNYXMYDD-UHFFFAOYSA-N	388.380	3.823	5	40	GHBB	
O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4550993	GALFJADHFVCISG-UHFFFAOYSA-N	391.880	3.689	5	40	GHBB	
O=C(CSCc1ccccc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6546386	WSIFZKMLKTUPQT-UHFFFAOYSA-N	385.401	3.621	5	40	GHBB	
CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl	44945975	ICEODJSJVSKOIU-UHFFFAOYSA-N	398.824	3.534	5	40	GHBB	
Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1	851001	HTRPRRUTXIRFCG-AQTBWJFISA-N	391.383	3.906	5	40	GHBB	
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1	3433595	FCUIPFYHPWVGER-UHFFFAOYSA-N	390.395	3.735	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(OCc2ccccc2)cc1	6889868	GVPCUWSQVVHLDG-UHFFFAOYSA-N	396.355	3.562	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(CN2CCCC2=O)c1	7069506	RLLDPIWZPBRQIY-OAHLLOKOSA-N	381.432	3.550	5	40	GHBB	
COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc([N+](=O)[O-])cc2)cc1	28527719	MHAXCHJXFMJFJM-UHFFFAOYSA-N	385.445	3.786	5	40	GHBB	
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	33096183	DYDOKVFVTMHGKO-GFCCVEGCSA-N	398.202	3.738	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])C1	40090854	BMMRUIRYNUILPN-HZPDHXFCSA-N	395.459	3.894	5	40	GHBB	
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	408623769	RXPOJIXEAHAZOA-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1	409193479	DOPOMSGZTLIMGZ-VXPUYCOJSA-N	383.429	3.720	5	40	GHBB	
CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc12	100586519	SZYWIZJYLWWFAB-WLRWDXFRSA-N	399.476	3.686	5	40	GHBB	
Cc1nn(CC(=O)Nc2ccccc2N(C)c2ccccc2)c(C)c1[N+](=O)[O-]	40114504	ZYCKNBFVFIFSEQ-UHFFFAOYSA-N	379.420	3.815	5	40	GHBB	
O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	69949889	VTYZTUFENUBBMF-OAQYLSRUSA-N	385.508	3.988	5	40	GHBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ncc(Cl)cc1Cl	2640964	DIBFLKMIZGLNLP-ZCFIWIBFSA-N	390.204	3.542	5	40	GHBB	
Cc1cc(I)ccc1NC(=O)c1cccc([N+](=O)[O-])c1	3155800	RJFJTRFEDSTPQZ-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)c1	7610243	GAFOOYNBIFONQR-UHFFFAOYSA-N	398.400	3.578	5	40	GHBB	
COc1ccc(OC(F)F)c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1	558460676	UVHBMPDOVUTDLP-UHFFFAOYSA-N	385.298	3.666	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	20410754	UDVGCOCTPFGZDT-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COc1ccc(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1	6636903	DDLNCNTUOHMAGY-UHFFFAOYSA-N	398.246	3.981	5	40	GHBB	
COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	408554320	DDTHOGFIHLHHGD-INIZCTEOSA-N	380.809	3.741	5	40	GHBB	
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	20410853	HFHVMROGPNFWQZ-OAHLLOKOSA-N	399.447	3.861	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc1	8780322	HVLZNUFQWOTGTN-GFCCVEGCSA-N	389.462	3.640	5	40	GHBB	
C[C@H]1CCCCN1Cc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-]	32930739	GJJMLHVIONNBDD-KRWDZBQOSA-N	397.475	3.664	5	40	GHBB	
O=C(NC1CC1)c1ccc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C2CC2)cc1	32779472	LWWBZNDKGMUDEY-UHFFFAOYSA-N	394.431	3.684	5	40	GHBB	
Cc1ccc(Cl)cc1Nc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-]	4923765	IJDPJJUIPBKPFW-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
Cc1ccccc1C(=O)NC(=S)/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1	5017666	GPPQILBYUFDMQQ-UHFFFAOYSA-N	398.469	3.575	5	40	GHBB	
CCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12	5694870	CUVQRMZZXMCUDG-UHFFFAOYSA-N	386.411	3.834	5	40	GHBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCO2	12543495	DCJJSLFPLKYANE-UHFFFAOYSA-N	377.784	3.808	5	40	GHBB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	14016971	AHZSFRWOEWUKBA-ZBEGNZNMSA-N	380.853	3.579	5	40	GHBB	
C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1	14093466	MPAJFZKMEHNNKV-NSHDSACASA-N	375.454	3.565	5	40	GHBB	
CCOc1cc(C(=O)NCCc2cccc3cccnc23)c([N+](=O)[O-])cc1OC	14202380	AOIJDJREFJNQEB-UHFFFAOYSA-N	395.415	3.523	5	40	GHBB	
CCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1	20034115	XAOCGJKYJQUEQJ-UHFFFAOYSA-N	377.209	3.578	5	40	GHBB	
O=C(Nc1cccc(Cn2cccn2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	25133857	UFKGXTWWCBEIAB-UHFFFAOYSA-N	391.431	3.692	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	408628897	XSXUJSIZLGPMFA-UHFFFAOYSA-N	394.796	3.592	5	40	GHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCO2	12995863	NIOOQNMZMWITEL-SYJIQKIWSA-N	380.400	3.743	5	40	GHBB	
Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1	6204903	XOMWMHSHKJSAIF-UHFFFAOYSA-N	376.434	3.870	5	40	GHBB	
COc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-]	66014107	APRBIXKUUYBNGZ-UHFFFAOYSA-N	392.411	3.888	5	40	GHBB	
Cc1ccccc1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	38757312	HGOZJDFXYXCLEG-FQEVSTJZSA-N	382.441	3.971	5	40	GHBB	
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1cccc(Br)c1	4176837	MFVBSAKHELXZQA-UHFFFAOYSA-N	399.222	3.848	5	40	GHBB	
Cc1cc(N(C)C[C@H]2COc3ccccc3O2)nc(-c2cccc([N+](=O)[O-])c2)n1	40118729	NZHOJXRCLAHLKQ-KRWDZBQOSA-N	392.415	3.636	5	40	GHBB	
CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	28188602	QCMNDCIYQFJIMK-UHFFFAOYSA-N	378.797	3.632	5	40	GHBB	
Cc1ccc(-c2c/c(=N\S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1	408729075	AKQWEOWQCZSFDU-WUKNDPDISA-N	392.483	3.983	5	40	GHBB	
Cc1ccc(F)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2	101487228	POLUWGNLEJLPFT-RCRDTURJSA-N	399.426	3.568	5	40	GHBB	
Cc1c(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-]	32911963	HFGBBMVOAQNZIV-UHFFFAOYSA-N	382.342	3.549	5	40	GHBB	
Cc1ccc(-c2cs/c(=N\C(=S)NC(=O)c3cccc([N+](=O)[O-])c3)[nH]2)cc1	4703933	RBEJDMCJTOQGCI-UHFFFAOYSA-N	398.469	3.575	5	40	GHBB	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	5260225	NYDDPKHGHSUBOH-UHFFFAOYSA-N	392.176	3.611	5	40	GHBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(F)cc1Br	5958598	OGXJUOGBXNPHQI-UHFFFAOYSA-N	383.173	3.822	5	40	GHBB	
Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	5966339	SJHLMYBSJXGCQR-UHFFFAOYSA-N	397.412	3.822	5	40	GHBB	
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)c1[N+](=O)[O-]	40074389	JEGJTPAZUKJBFU-UHFFFAOYSA-N	376.372	3.803	5	40	GHBB	
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Br)oc12	73641820	NUDSGUOVVGGHTA-UHFFFAOYSA-N	377.150	3.952	5	40	GHBB	
CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12	4149957	ZHKCUOKNQQMKBO-UHFFFAOYSA-N	388.401	3.961	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1	6052532	OMYRLEGVZWJXHF-IBGZPJMESA-N	394.431	3.985	5	40	GHBB	
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1	10264526	NCAALPJXMCUUIE-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-]	12977637	VAUIGLPZFXJBBV-KRWDZBQOSA-N	380.853	3.986	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(C)cc1Br	5689454	VJZFBTKIZBRNMJ-UHFFFAOYSA-N	394.225	3.725	5	40	GHBB	
COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-]	214238127	NMQPIGMYYQFYOD-CXUHLZMHSA-N	388.376	3.979	5	40	GHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1Cl	12495394	DCFDGBUSHRBZBV-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1	13053802	DQSQRSVNLLOANE-UHFFFAOYSA-N	385.159	3.617	5	40	GHBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])OCc1nc(-c2ccccc2)no1	7372428	WZVATEHIMKYOQL-UHFFFAOYSA-N	382.376	3.580	5	40	GHBB	
COc1ccccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	6549307	KKYOKHFYVZGDAW-UHFFFAOYSA-N	385.401	3.744	5	40	GHBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1C1=C(N2CCOCC2)CCC1	57266346	GGRBKGUJHRSNQF-UHFFFAOYSA-N	387.314	3.749	5	40	GHBB	
Cc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-]	3281880	XWKPJHYFNRNPDH-UHFFFAOYSA-N	384.207	3.767	5	40	GHBB	
COc1cccc(NC(=O)[C@@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)c1	7044823	IUOKJMABIMCRRU-SFHVURJKSA-N	379.372	3.757	5	40	GHBB	
CCCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c1	20528680	WTWRKQAJNYUFED-UHFFFAOYSA-N	389.364	3.943	5	40	GHBB	
COc1cc(C(=O)OCc2csc(-c3ccco3)n2)c([N+](=O)[O-])cc1OC	25434802	VGYJCXLWIZAMIR-UHFFFAOYSA-N	390.373	3.686	5	40	GHBB	
CCn1c(=O)n(CC)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21	408534823	RJSDRTZKGVAIQS-UHFFFAOYSA-N	388.811	3.657	5	40	GHBB	
Cc1cccc(N2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1C	32935716	KNHAQYVYTZCPOQ-UHFFFAOYSA-N	393.447	3.584	5	40	GHBB	
Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	44903016	IXICMLIVVWGLSD-FQEVSTJZSA-N	382.441	3.971	5	40	GHBB	
CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	222766671	PIDNLSUWUJPWKG-ROUUACIJSA-N	380.429	3.852	5	40	GHBB	
O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1	79056812	REQSHHWLBAQNNL-HNNXBMFYSA-N	390.399	3.673	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)cc1[N+](=O)[O-]	793569	RQCQTBRUVIJEQX-UHFFFAOYSA-N	389.481	3.810	5	40	GHBB	
CCNc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-]	4866917	CDCGSVMGEYOXKQ-UHFFFAOYSA-N	385.420	3.946	5	40	GHBB	
C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1	3450159	ZMNLDOKHFIMOCG-MNOVXSKESA-N	394.786	3.810	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1cc(F)cc2c1OCOC2	14126071	QCXXENJKRJBHCZ-KTRBRXNASA-N	386.379	3.833	5	40	GHBB	
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	9699811	ISBKRPOHHPVAGW-NSHDSACASA-N	393.321	3.605	5	40	GHBB	
COc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)no2)cc1OC	46086948	MVVORGAQOTZTQE-UHFFFAOYSA-N	383.360	3.828	5	40	GHBB	
O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1	13053745	FUBOTXOGYWCZOK-UHFFFAOYSA-N	385.159	3.617	5	40	GHBB	
Cc1cccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c1	3158528	IHCTVPQFTSLNDC-UHFFFAOYSA-N	377.312	3.765	5	40	GHBB	
Cc1ccccc1OCCNc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1[N+](=O)[O-]	4455722	YWLNLOBROCLLKK-CALCHBBNSA-N	384.480	3.581	5	40	GHBB	
C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	4987406	UJURAUCMWXBFTH-JTQLQIEISA-N	388.380	3.903	5	40	GHBB	
CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	6938340	QCVULHIPNLKAFL-QGZVFWFLSA-N	397.475	3.836	5	40	GHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C)cc2s1	12545065	FJRNWDHOCOXXAR-UHFFFAOYSA-N	386.433	3.824	5	40	GHBB	
CC(C)COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1	20611848	JOMMCIOJTTZLAU-UHFFFAOYSA-N	399.447	3.719	5	40	GHBB	
CC(C)c1cc(=O)oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12	21821630	GQQWIUAJHKQDDC-UHFFFAOYSA-N	389.385	3.592	5	40	GHBB	
COc1ccc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	20142776	PVSWHBFCDHVBNT-UHFFFAOYSA-N	399.403	3.544	5	40	GHBB	
COC(=O)c1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1	32753922	BBRRTHIRSNLMRQ-GFCCVEGCSA-N	382.372	3.961	5	40	GHBB	
CN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1	58342471	IZZRQFMTDMENBW-UHFFFAOYSA-N	375.375	3.745	5	40	GHBB	
CCC1(CC)C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1	224948855	UKCWXVYCEAHDQA-HNNXBMFYSA-N	390.461	3.956	5	40	GHBB	
O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2nc3ccccc3n12	1029750	IUAFMCGOKRAGOP-WQRHYEAKSA-N	389.392	3.625	5	40	GHBB	
C[C@@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	7975372	JKOWBKWFHYIQAO-MRVPVSSYSA-N	399.186	3.791	5	40	GHBB	
CN(C)C1=NC(c2ccc([N+](=O)[O-])cc2)=N[C@@H](c2ccc([N+](=O)[O-])cc2)S1	36293459	DOCWTHXVWMGIHE-MRXNPFEDSA-N	385.405	3.613	5	40	GHBB	
COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	408538212	ZEULWQMIFNRIBX-KCOVVYJESA-N	384.344	3.860	5	40	GHBB	
CCCCCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1	408734390	PBGZOOBIYRQBFF-MRXNPFEDSA-N	387.358	3.557	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccccc2F)CC1	9063506	CQAXPBQEFDHWSP-UHFFFAOYSA-N	387.411	3.593	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	3442375	RMGJYWNBUKFNLA-UHFFFAOYSA-N	399.186	3.706	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)O)cc2)CC1	20142830	FRQWCEGXIPPBAV-UHFFFAOYSA-N	383.404	3.782	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2[N+](=O)[O-])CC1	20142620	GJXLUTFAKMIXQU-UHFFFAOYSA-N	383.404	3.782	5	40	GHBB	
CCNc1ccc(C(=O)OCC(=O)Nc2c(CC)cccc2CC)cc1[N+](=O)[O-]	5692594	BELQDQMMKSVLHR-UHFFFAOYSA-N	399.447	3.947	5	40	GHBB	
O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Cl)cc1[N+](=O)[O-]	5079960	YYQFAYANERWARV-UHFFFAOYSA-N	385.763	3.592	5	40	GHBB	
O=[N+]([O-])c1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1	4725772	TUISHJPBUMCDQZ-UHFFFAOYSA-N	386.101	3.900	5	40	GHBB	
CN(C)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-]	10545534	KMPIEJHBDQQPAX-HNNXBMFYSA-N	393.447	3.557	5	40	GHBB	
CC(C)OC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	6624572	HJBXDWWOQVSTLD-UHFFFAOYSA-N	386.407	3.922	5	40	GHBB	biogenic
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1	205659771	WOBZUBUUZKQXKR-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc2n1	3321938	GKVAJQADCWPZRE-UHFFFAOYSA-N	380.356	3.675	5	40	GHBB	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O	4477715	FHIWDEXFLGBUKA-KRWDZBQOSA-N	393.321	3.581	5	40	GHBB	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCCO2	7983420	LPUCGVRPUNECFP-KRWDZBQOSA-N	376.434	3.945	5	40	GHBB	
COc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1[N+](=O)[O-]	14085555	JZYUMTDWNOMEFT-UHFFFAOYSA-N	384.432	3.794	5	40	GHBB	
Cc1ccc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	20142774	UYWXUVGDPYWIAA-UHFFFAOYSA-N	383.404	3.844	5	40	GHBB	
CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3nc4ccccc4nc3c2)C1	33747530	UXHRJRDMVANVJY-KRWDZBQOSA-N	390.487	3.504	5	40	GHBB	
COc1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	40090634	GVTNMHNFQQQSJF-UHFFFAOYSA-N	386.795	3.754	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccnc1Oc1cccc(F)c1	40094199	QTROCZGXRXCBCP-UHFFFAOYSA-N	381.363	3.780	5	40	GHBB	
Cc1cccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)c1	72229083	RRKNEZHGWYVSLT-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
CCc1cccc(N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	106918793	XIUUFLDHWOZRPY-JENIJYKNSA-N	382.464	3.884	5	40	GHBB	
Cc1cc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)cc([N+](=O)[O-])c1C	409338944	QZERJGRYSUAYJW-XQRVVYSFSA-N	398.331	3.751	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1	754252	PTCRQEKCTPNWBH-UHFFFAOYSA-N	382.441	3.986	5	40	GHBB	
CCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-]	6570236	CSTVRPHUARPVFF-UHFFFAOYSA-N	380.198	3.712	5	40	GHBB	
Cc1c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]	24860252	MCBFQTGJXLAPBI-UHFFFAOYSA-N	396.230	3.921	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2	12754159	BSVOOJNPTJCLEA-LLVKDONJSA-N	390.823	3.900	5	40	GHBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1NCCO	5278435	HWZVYWYZYLUUJB-UHFFFAOYSA-N	389.407	3.707	5	40	GHBB	
Cc1ccc(-n2ncc([C@H](C)NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2C)cc1	89642687	QCQPPRQDRCPYLB-ZDUSSCGKSA-N	396.451	3.735	5	40	GHBB	
C[C@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2	5981408	VNKWZTCOZOGKBD-YYAZQSBSSA-N	398.459	3.625	5	40	GHBB	
COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C	13674358	ILKMHHKDTLTYNY-UHFFFAOYSA-N	378.812	3.974	5	40	GHBB	
Cc1cc(NCc2ccc(N3CCCC3)nc2)nc(-c2cccc([N+](=O)[O-])c2)n1	40118730	OXLIXTLSFZNYKS-UHFFFAOYSA-N	390.447	3.968	5	40	GHBB	
O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]	2753768	ROQRBHJXMRASFD-UHFFFAOYSA-N	385.254	3.696	5	40	GHBB	
CCS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2NC(C)=O)s1	1797909	OKVRGQTUBLAZKQ-UHFFFAOYSA-N	386.476	3.560	5	40	GHBB	
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Cl)cn1	95470924	WVSCQNJFBAJNEN-UHFFFAOYSA-N	398.718	3.505	5	40	GHBB	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccccc1[N+](=O)[O-]	5092415	WBBNEGZUNWHJJR-UHFFFAOYSA-N	383.360	3.514	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1	15363709	JZUSHGOYKAZWDK-UHFFFAOYSA-N	384.816	3.741	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1	4653263	LSYKWXKLQMNVEU-AWEZNQCLSA-N	383.187	3.847	5	40	GHBB	
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	5781441	RLWSNSCHFYLBBK-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
COc1cc(/C=C/C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	2534638	ABQYTMRJZNRGDQ-VMPITWQZSA-N	376.796	3.595	5	40	GHBB	
CCCCc1nc2c(C)c(NC(C)=O)cnc2n1Cc1cccc([N+](=O)[O-])c1	4848157	WZOQMEJYPWIBLC-UHFFFAOYSA-N	381.436	3.997	5	40	GHBB	
COc1ccc(OC)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	4903641	AJSOYLZXGWXDJK-UHFFFAOYSA-N	385.420	3.855	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c1	5061348	LWVJQJKOGMJIIA-UHFFFAOYSA-N	378.384	3.781	5	40	GHBB	
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)c1	5270004	JAGABRBNRAFIED-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=C(OCCOc1ccccc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1	5968749	RTQZFKPZQANZGY-UHFFFAOYSA-N	388.395	3.573	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-]	4747594	RBRVSDNHVAHLIX-UHFFFAOYSA-N	388.855	3.561	5	40	GHBB	
Cc1c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-]	8304315	LJKPTMPTHRBJDL-UHFFFAOYSA-N	399.491	3.955	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)c1ccc(F)c(F)c1	12928841	FRRJWYBHHGJNII-NSHDSACASA-N	379.363	3.513	5	40	GHBB	
O=C(CCC(=O)c1ccccc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	39752754	SBFIACKOYGWCSR-UHFFFAOYSA-N	382.401	3.715	5	40	GHBB	
Cc1ccccc1C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl	72229084	KWBDYUWZSNBQAX-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
Cc1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCCC2)cc1[N+](=O)[O-]	408530645	MKIKJEYMZOLQQM-UHFFFAOYSA-N	395.419	3.728	5	40	GHBB	
O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1	409205222	AIIZXBLRHJMJCZ-LDADJPATSA-N	389.367	3.948	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21)c1ccccc1	409372000	KTWSXIZYTQAFGD-UKAVVXHISA-N	386.407	3.990	5	40	GHBB	
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4901089	COYZOXOCARNCDT-UHFFFAOYSA-N	379.338	3.576	5	40	GHBB	
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N(C)C)cc1OC	6830979	VCDGUFNXGJHRDW-LJQANCHMSA-N	396.447	3.875	5	40	GHBB	
Cc1cc(Br)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	160269605	NDGGRDGXYNGBJL-UHFFFAOYSA-N	382.239	3.792	5	40	GHBB	
CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	408628783	XNRKHDGVURKRLA-UHFFFAOYSA-N	386.477	3.876	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F	1100236	SQQHJBRBALDUHI-KRWDZBQOSA-N	399.369	3.557	5	40	GHBB	
CN(c1ccccc1)c1ccc(CNCCn2cnnc2C2CC2)cc1[N+](=O)[O-]	78823305	XWECXCLKDJZBBQ-UHFFFAOYSA-N	392.463	3.621	5	40	GHBB	
COc1cc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(C)cc1[N+](=O)[O-]	7788131	WQOUFSBQBICTGZ-UHFFFAOYSA-N	397.475	3.805	5	40	GHBB	
Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1	408565678	CSRXULNBMQMEEM-SFHVURJKSA-N	398.444	3.723	5	40	GHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Br)c([N+](=O)[O-])c1	5536143	SFHWPUWLHKJMFH-UHFFFAOYSA-N	381.138	3.623	5	40	GHBB	
C[C@@H]1S[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O	5759338	NCYLDWWWWRCQQZ-XYZCENFISA-N	389.820	3.522	5	40	GHBB	
CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	6517643	ITAODYNRRFTUGR-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
O=[N+]([O-])c1cccc([C@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)c1	17180044	SOKASIUISDQXSB-HXUWFJFHSA-N	386.859	3.899	5	40	GHBB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	217898618	POJMNHRCBLNRLX-JXMROGBWSA-N	384.417	3.768	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1	860668	UQWRVETVPYIPAA-HNNXBMFYSA-N	384.866	3.685	5	40	GHBB	
O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1cccc([N+](=O)[O-])c1	59475021	ISDPHKZFALIRGG-UHFFFAOYSA-N	379.401	3.771	5	40	GHBB	
Cc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1	8036106	OKMPZNIJKXIJTH-UHFFFAOYSA-N	383.838	3.967	5	40	GHBB	
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1	97096143	ARXFLLAYWXUUJS-GFCCVEGCSA-N	394.387	3.861	5	40	GHBB	
COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1	225865770	GYIOSYYQBMVXKA-UHFFFAOYSA-N	399.447	3.856	5	40	GHBB	
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	5390799	HTSXJRNNTNNOMC-UHFFFAOYSA-N	394.353	3.968	5	40	GHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1	17824580	HHSOQAKHKPUJQZ-CQSZACIVSA-N	399.472	3.808	5	40	GHBB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	845682	BSJYUKFQHQJXRD-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
C[C@@](O)(Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1)[C@@H]1C[C@H]2C=C[C@H]1C2	100082815	HFZJXUAWTSUNJP-OSAHHLOMSA-N	398.459	3.683	5	40	GHBB	
CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OC	8254348	MYSFLLUHYSOIGS-UHFFFAOYSA-N	379.844	3.857	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	89851321	QPLYFMIECJBEDK-HNNXBMFYSA-N	380.364	3.630	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21)c1ccccc1	409372007	KTWSXIZYTQAFGD-VURPSTOHSA-N	386.407	3.990	5	40	GHBB	
CC(=O)c1c(C)oc2c(C)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12	16779593	NRRAEDRWSBXDTK-UHFFFAOYSA-N	388.401	3.961	5	40	GHBB	
O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	1021423	QMUMKJVGBQHNDJ-UHFFFAOYSA-N	382.397	3.680	5	40	GHBB	
CCOC(=O)[C@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12	5092904	IKFVSVFHVALILA-SXLOBPIMSA-N	392.411	3.631	5	40	GHBB	
CCc1ccc(Nc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1	6026832	BAOMWALEZNXWQU-UHFFFAOYSA-N	377.466	3.931	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1	6658877	HRCZOOXRIROALG-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)cc2c1	9280979	PIKLPBRBIBIMMY-UHFFFAOYSA-N	379.416	3.796	5	40	GHBB	
CSc1nccn1-c1cccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1	40138890	KDJHSBSDAQKNOH-UHFFFAOYSA-N	382.445	3.775	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2ccc(OC(F)F)cc2)c1	49998717	ARYKSIRCJCADOS-INIZCTEOSA-N	375.331	3.793	5	40	GHBB	
CCn1nccc1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1	71785163	OUSHGGJUXLTJKI-HXUWFJFHSA-N	377.404	3.873	5	40	GHBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCN(CC2CCCCC2)CC1	71821602	TUZCCCYYTFHNBL-UHFFFAOYSA-N	384.480	3.804	5	40	GHBB	
COc1ccc([C@@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1F	48310166	HYXLLEHIVLMGAJ-GFCCVEGCSA-N	398.394	3.880	5	40	GHBB	
CC(=O)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21	6420497	HCQUASXMRPXUDL-LLVKDONJSA-N	384.417	3.724	5	40	GHBB	
Cc1nn(C)c2sc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc12	9866617	DJDYJODPFLWTMH-UHFFFAOYSA-N	378.841	3.777	5	40	GHBB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	214764167	GVGPGEOXWDGABO-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	853501	SXUQLOQKPJOQDE-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1C)[N+](C)(C)CC3)OCO2	1280014	SCKGIUIRENIDOM-GOSISDBHSA-N	382.480	3.987	5	40	GHBB	biogenic
COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1	2796612	SHXIQHFRUFAFEH-UHFFFAOYSA-N	380.404	3.717	5	40	GHBB	
CCOc1ccc2oc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c(C)c2c1	7117092	FUKDKNOIIAKAGF-UHFFFAOYSA-N	383.404	3.890	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccccc1N1CCCCC1	24391826	CYYSVHQCFTWFHD-UHFFFAOYSA-N	383.448	3.866	5	40	GHBB	
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-]	4286714	KIGPHHLTARAQND-CYBMUJFWSA-N	381.388	3.579	5	40	GHBB	
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1ccccc1F	5107879	GEUOHFATRCFMED-UHFFFAOYSA-N	384.392	3.922	5	40	GHBB	
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1cccnc1	32832158	MZMRJJDUFBEXCW-UHFFFAOYSA-N	379.372	3.830	5	40	GHBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc([N+](=O)[O-])cc1Cl	102095206	VUVYMAUSQDQQQB-UHFFFAOYSA-N	382.672	3.506	5	40	GHBB	
O=C1NN(c2ccccc2)C(c2ccccc2[N+](=O)[O-])N(c2ccccc2)N1	3184380	AKVFINLJQPVRJA-UHFFFAOYSA-N	375.388	3.749	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)c1	5254273	PCBCWHMSWLEPKZ-UHFFFAOYSA-N	391.778	3.692	5	40	GHBB	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	32724212	VEJDNIRJSFUGGT-LLVKDONJSA-N	396.355	3.541	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nc(COc3ccc(Br)cc3)n[nH]2)cc1	35551893	AODPCGBTMUXUJL-UHFFFAOYSA-N	375.182	3.721	5	40	GHBB	
Cc1c([C@@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)cnn1C	71785169	SMFBZKWVKOHAEQ-FQEVSTJZSA-N	377.404	3.698	5	40	GHBB	
CCCCn1nnnc1COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1	5564951	AWUVEQQZECMBDZ-UHFFFAOYSA-N	383.408	3.636	5	40	GHBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1	5710615	PJRJWHVSXWZWPY-HNNXBMFYSA-N	397.431	3.769	5	40	GHBB	
CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	13648326	QNYVSZDMTFGTFU-UHFFFAOYSA-N	388.445	3.952	5	40	GHBB	
CCCCc1nnc2n1N1C(=CS[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)S2	20730647	HYRXSKRPAHBZLZ-CQSZACIVSA-N	377.451	3.523	5	40	GHBB	
CC(C)(C)n1/c(=N/C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[nH]c2ccccc21	65745808	XRISSNOGRQXNEF-UHFFFAOYSA-N	391.431	3.715	5	40	GHBB	
O=C(O)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	4653574	UMNBJFXCWKIOBX-CQSZACIVSA-N	383.187	3.847	5	40	GHBB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1	4680260	BIYURQLNQBKEOR-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
CN(CC(=O)Nc1ccccc1OC(F)F)Cc1cc([N+](=O)[O-])ccc1Cl	8748493	HEPFQLWHRIXKCZ-UHFFFAOYSA-N	399.781	3.920	5	40	GHBB	
CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	13115487	AAKTXRWQGSCYLP-LJQANCHMSA-N	380.429	3.651	5	40	GHBB	
COC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1C	17016844	SCYAIWBUUIRESM-UHFFFAOYSA-N	387.373	3.659	5	40	GHBB	
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCCCC3)c(O)n2n1	22853067	WDEFPGFWTHSFHE-HNNXBMFYSA-N	387.465	3.542	5	40	GHBB	
O=[N+]([O-])c1ccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)cc1	71260616	ILLRZRIXWQKBMV-JXMROGBWSA-N	384.465	3.640	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccc(Cl)cc2)no1	217897447	QGLJTHVKTDTROX-XCVCLJGOSA-N	384.779	3.628	5	40	GHBB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)N21	222654964	MZMYRNYFBHJLEY-JEBQAFNWSA-N	384.461	3.978	5	40	GHBB	
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O	1062142	KTQLYEUJOGRIPV-UHFFFAOYSA-N	390.326	3.766	5	40	GHBB	
Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	20142578	QHSCOCMYIXKUDH-UHFFFAOYSA-N	383.404	3.844	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nc(CCNc3ccc(Br)cc3)n[nH]2)cc1	64873683	GUAMFTCXGULVMW-UHFFFAOYSA-N	388.225	3.797	5	40	GHBB	
CCOc1ccc(S(=O)(=O)N(CC)c2cc([N+](=O)[O-])ccc2Cl)cc1	224608846	OEJAGGAMGANDNM-UHFFFAOYSA-N	384.841	3.862	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Br)cc1	224735806	GXXGMSIBWVYSGZ-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	26608977	LQWKIOJPFCELEC-UHFFFAOYSA-N	393.365	3.572	5	40	GHBB	
CCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccccc1	9668994	QHHHKEGMWAIPAR-UHFFFAOYSA-N	397.460	3.777	5	40	GHBB	
O=[N+]([O-])c1cccc(Br)c1N1CCN(Cc2ccccc2)CC1	95080973	KVOLQMMFDOZTBA-UHFFFAOYSA-N	376.254	3.680	5	40	GHBB	
Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc([N+](=O)[O-])o3)nc12	5122340	IVVHXQBGLIEBGG-UHFFFAOYSA-N	388.449	3.704	5	40	GHBB	
COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccccc1[N+](=O)[O-])NC3=O	1085868	CKJKBVUDDCIBMC-INIZCTEOSA-N	384.417	3.513	5	40	GHBB	
Cc1nn(CC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1[N+](=O)[O-]	3420775	BBWKEVJJRGYURQ-UHFFFAOYSA-N	399.447	3.882	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1	7573916	IIXZEFASDRRXGG-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1cccc([N+](=O)[O-])c1	12642068	KRGZJPHNDDGFTD-UHFFFAOYSA-N	379.294	3.707	5	40	GHBB	
COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC	22532070	XQFLODUOTCJVNS-UHFFFAOYSA-N	382.825	3.996	5	40	GHBB	
CN(Cc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	25809207	HDPPVGFTSMFFFF-UHFFFAOYSA-N	393.237	3.856	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1	409017017	CZBDTTALABVCPT-UHFFFAOYSA-N	387.823	3.739	5	40	GHBB	
O=C(Oc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1865625	XFYUFFWALDHZDZ-UHFFFAOYSA-N	399.380	3.582	5	40	GHBB	
O=c1cc(CN2CCc3ccccc3C2)occ1OCc1cccc([N+](=O)[O-])c1	4583923	HRQHDXCEEVYESS-UHFFFAOYSA-N	392.411	3.685	5	40	GHBB	
C=Cc1cc(OC)c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1	78932072	NYONHDXAFAANHH-UHFFFAOYSA-N	392.795	3.926	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1N[C@@H](NC(=O)c1ccco1)C(=O)c1ccccc1	4420831	IGAUDOMMXWIPAY-IBGZPJMESA-N	379.372	3.547	5	40	GHBB	
COCCNc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1[N+](=O)[O-]	18134400	IWCXZYIBGGMHLU-HNNXBMFYSA-N	387.461	3.620	5	40	GHBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OC1(CCCC1)O2	21467265	XWUSJNKDJTYDGZ-UHFFFAOYSA-N	388.351	3.793	5	40	GHBB	
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	216926412	NQSPTFTZTNXWNQ-NYYWCZLTSA-N	381.432	3.720	5	40	GHBB	
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C	225564623	RZDLSCQZFVJSOY-UHFFFAOYSA-N	384.432	3.989	5	40	GHBB	
O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1	855076	KQULXHMRAVGTHT-GOSISDBHSA-N	382.397	3.589	5	40	GHBB	
O=[N+]([O-])c1ccc2c(OCc3nnc(-c4ccc(Cl)cc4)o3)ncnc2c1	3447293	DVTBORZYAZCZBH-UHFFFAOYSA-N	383.751	3.820	5	40	GHBB	
CCNc1cc(C(=O)c2cc(Cl)ccc2O)cn2c(=O)c3ccccc3nc12	9578689	WWMCBDTZRXUJOI-UHFFFAOYSA-N	393.830	3.870	5	40	GHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1	17824583	HHSOQAKHKPUJQZ-AWEZNQCLSA-N	399.472	3.808	5	40	GHBB	
COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	20491917	UOEYNKAXIZGFGB-GOSISDBHSA-N	392.477	3.978	5	40	GHBB	
COc1cc(NC[C@@H](c2cccc(C)c2)N2CCOCC2)c([N+](=O)[O-])cc1F	79099353	XJWCJNPWWYFUPS-IBGZPJMESA-N	389.427	3.536	5	40	GHBB	
COc1cccc(NC(=O)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)c(C)[nH]2)c1	97000809	ILAMSIWUPJKQSF-UHFFFAOYSA-N	395.419	3.966	5	40	GHBB	
Cc1nc(Nc2cccc(C(=O)O)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	5276885	LBYSYDWGSAIKLL-UHFFFAOYSA-N	379.376	3.903	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1cccc(Cl)c1F	7963215	XWDWNVKCKLNKGC-SNAWJCMRSA-N	378.743	3.906	5	40	GHBB	
O=C(Nc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	12557493	XOLFFNNTAGTCSE-UHFFFAOYSA-N	376.416	3.998	5	40	GHBB	
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1	22906907	FFOWFTJDWAQDRQ-HXUWFJFHSA-N	391.427	3.717	5	40	GHBB	
CNC(=O)c1ccsc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O	4281772	DECKYTFCNJSLCL-UHFFFAOYSA-N	378.409	3.620	5	40	GHBB	
CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1	5427328	UINCDGDCVZZQKA-UHFFFAOYSA-N	386.795	3.961	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c([N+](=O)[O-])c1	9198778	UNJDSRQHUBAEIN-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
Cc1cc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c(C)s1	32829917	WBEQSYBKLQUWMR-ZDUSSCGKSA-N	389.477	3.919	5	40	GHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	103717975	AEJJZGAKLXTQCM-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1	103718431	IQULYZCHPIAJAO-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
O=C(O)CCCCCCCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1732825	PEAQKXRZAIKFGF-UHFFFAOYSA-N	376.409	3.786	5	40	GHBB	
O=C1NC(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)N1	2988035	AUOQHMSUGZAJLS-GHXNOFRVSA-N	393.277	3.586	5	40	GHBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1	5034564	OEAUVWPMGALNCX-UHFFFAOYSA-N	382.328	3.814	5	40	GHBB	
C[C@@H](NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	8209455	MCASWLYGSHTLDA-GFCCVEGCSA-N	384.417	3.614	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2=O)cc1	30871177	VMLIGJLYOMCZKH-UHFFFAOYSA-N	385.445	3.594	5	40	GHBB	
O=C(N/C(=C\c1ccccc1F)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1	12375265	NKVYWUQNTWBCFJ-RGEXLXHISA-N	397.406	3.517	5	40	GHBB	
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c1	862145	ZXWCSPBHBQSRIL-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1	3347001	DFLAFSYUXCLQFF-UHFFFAOYSA-N	388.430	3.991	5	40	GHBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	20140984	XZBCAYYZGRLRBS-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1	408625672	FDMNJQILKSJGIB-UHFFFAOYSA-N	385.232	3.533	5	40	GHBB	
CN(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	72295880	VHLOMDKNWKUCMP-GJZGRUSLSA-N	377.828	3.721	5	40	GHBB	
C[C@@H]1CCCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])C1	4868133	QSPWBDDKDUEACT-LLVKDONJSA-N	387.465	3.812	5	40	GHBB	aggregator
CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-]	13132572	OLWNCVCXQCBLHB-XLAORIBOSA-N	391.374	3.667	5	40	GHBB	
Cc1ccc2nc(C)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2c1	32854497	PPXRLRFCCOGTNW-UHFFFAOYSA-N	397.362	3.694	5	40	GHBB	
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1-c1ccc(C)cc1	2214272	PGBBPOXLFBVNPT-UHFFFAOYSA-N	376.412	3.762	5	40	GHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Br)s1	3375985	FJUDFZAMUCECKX-VMPITWQZSA-N	396.218	3.858	5	40	GHBB	
CCCCn1c(-c2ccccc2F)nc2c(c(=O)c3ccccc3n2C)c1=O	5388833	XUEOYDJGAJZWGD-UHFFFAOYSA-N	377.419	3.855	5	40	GHBB	
Cc1ccc2nc(C)c(CN3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)n2c1	7738506	QFLUQYAIJIBTFH-UHFFFAOYSA-N	399.882	3.835	5	40	GHBB	
O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1	9691142	KNZMPPOUCCAZIY-MRXNPFEDSA-N	397.456	3.776	5	40	GHBB	
O=[N+]([O-])c1ccccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1	12556193	UOALFMHUPNRFFJ-UHFFFAOYSA-N	382.395	3.711	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1	12964696	FYKXCQQROUEOLU-UHFFFAOYSA-N	391.427	3.707	5	40	GHBB	
Cc1nn(CC(=O)Nc2ccccc2N2CCc3ccccc32)c(C)c1[N+](=O)[O-]	31532561	HGMLDLYTIINKCL-UHFFFAOYSA-N	391.431	3.741	5	40	GHBB	
CC[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	225171714	YGGKOJVJMKNGOZ-MRXNPFEDSA-N	378.450	3.650	5	40	GHBB	
Cc1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])sc1CC(N)=O	22202837	TXYFMICRKCHSSV-UHFFFAOYSA-N	377.369	3.558	5	40	GHBB	
O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])c2nsnc2c1	95465117	MSNGQISFANEPDJ-UHFFFAOYSA-N	382.323	3.548	5	40	GHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(Cl)cc2Cl)c1	44886421	XSDRDRUNUYXRJZ-UHFFFAOYSA-N	375.233	3.521	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(Cl)cc1F	15581097	UPHIEWUUKIGFKK-DAFODLJHSA-N	378.743	3.906	5	40	GHBB	
O=c1nc(/C=C/c2ccc(Br)c([N+](=O)[O-])c2)cc(C(F)(F)F)[nH]1	5286155	AYNHWIMLYKPNDQ-HNQUOIGGSA-N	390.115	3.630	5	40	GHBB	
CSc1nc(C)c(CCC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1	7110394	JPLNLDGDQQLKAH-CYBMUJFWSA-N	375.450	3.961	5	40	GHBB	
O=c1n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2c2nc(-c3ccccc3)nn12	8601986	PQQHPZODCXRNDH-UHFFFAOYSA-N	397.394	3.668	5	40	GHBB	
O=C(Nc1cccc(O)c1)c1cc(C(=O)Nc2cccc(O)c2)cc([N+](=O)[O-])c1	8434714	LTCRIJSSGIOSRC-UHFFFAOYSA-N	393.355	3.511	5	40	GHBB	
Nn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1	409098315	PVIALWPGDWOYMO-UHFFFAOYSA-N	381.339	3.737	5	40	GHBB	
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1[N+](=O)[O-]	14574344	FUNGUXJKQOBORE-UHFFFAOYSA-N	391.309	3.755	5	40	GHBB	
O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccnc1	4733828	PBBIOXWHCNEIAY-ZDUSSCGKSA-N	389.626	3.528	5	40	GHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C12CC2	408767336	ZGFBWFUSASNPTQ-ZRNYENFQSA-N	386.407	3.963	5	40	GHBB	
CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1	72329382	NCNQSWRKGGRSDK-UHFFFAOYSA-N	380.404	3.704	5	40	GHBB	
COc1cc(Br)c(C[N@@+](C)([O-])CCc2ccc(O)cc2)cc1O	247923793	CYABSRBQSSENLQ-IBGZPJMESA-N	382.254	3.556	5	40	GHBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCCO2	2241530	BXVFUSONHHJLFG-UHFFFAOYSA-N	388.426	3.951	5	40	GHBB	
Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2nncn2-c2ccccc2)c1C	4835137	BIDFTTJYAXPALY-UHFFFAOYSA-N	383.433	3.523	5	40	GHBB	
CC(=O)c1cccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1	8749361	MANLRLWODTYHQF-UHFFFAOYSA-N	375.812	3.521	5	40	GHBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cc(Cl)ccc2Cl)CC1	19943553	PVGFSULZTWKEKX-UHFFFAOYSA-N	380.231	3.864	5	40	GHBB	
Cc1cccc(COc2ccccc2/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c1	409319924	NQILNOVEEQNQON-KTKRTIGZSA-N	379.372	3.854	5	40	GHBB	
O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccc([N+](=O)[O-])cc1	873016	YHBXEZGVVBEXSU-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1	2502946	NUHAQNPTUWVHGC-FQEVSTJZSA-N	395.440	3.910	5	40	GHBB	
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2	13000554	BUFKVDRDODGAKY-HNNXBMFYSA-N	388.807	3.997	5	40	GHBB	
CC(=O)n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21	6420448	HCQUASXMRPXUDL-NSHDSACASA-N	384.417	3.724	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccccc1F)C1CC1	16420089	GGYAXABFSZXSED-OAHLLOKOSA-N	385.439	3.918	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])CC1	20142636	ONDBULHZAHOZNM-UHFFFAOYSA-N	383.404	3.782	5	40	GHBB	
O=[N+]([O-])c1cc2c(N[C@@H](CO)c3cccc(C(F)(F)F)c3)ncnc2s1	1643055959	YKSFGSSEGKCBAN-NSHDSACASA-N	384.339	3.764	5	40	GHBB	
COc1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)c([N+](=O)[O-])c1	5051388	FVPVNFDVFBJWMZ-UHFFFAOYSA-N	384.360	3.936	5	40	GHBB	
CN1/C(=C\C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21	12512763	ZNXVUAPDEBYIQD-ATVHPVEESA-N	381.457	3.964	5	40	GHBB	aggregator
CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1	6270837	CRGVAIWRSHTTDP-UHFFFAOYSA-N	388.361	3.764	5	40	GHBB	
CSc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-]	17822558	FBBJMQCCJRBAMY-HNNXBMFYSA-N	399.472	3.808	5	40	GHBB	
Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1	16088283	RGBQVOKLBCAYIZ-FQEVSTJZSA-N	382.441	3.971	5	40	GHBB	
Cc1cc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)oc1ccccc12	4326535	XZKDGTWGTSBDNN-KBPBESRZSA-N	379.460	3.566	5	40	GHBB	
COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O	4550412	FIGGNKGHHWOLDK-DHDCSXOGSA-N	386.385	3.546	5	40	GHBB	
O=C(CSc1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	7238839	UTDKXQWRQYDSDC-UHFFFAOYSA-N	395.820	3.950	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]	8560744	INFUAVBHDVTTRA-UHFFFAOYSA-N	396.153	3.526	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1[N+](=O)[O-]	12943654	IWPCZAPAKOJYLU-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
O=[N+]([O-])c1cccnc1NCC1(c2cccc(Br)c2)CCOCC1	52487301	XRUTXRUCPLLKFD-UHFFFAOYSA-N	392.253	3.913	5	40	GHBB	
CCc1ccc2c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1	58160381	WNIWZROLVMIRAQ-UHFFFAOYSA-N	393.443	3.586	5	40	GHBB	
S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nc3ccccc3nc2c1	6393572	CUTXPUPBXGNHBV-UHFFFAOYSA-N	388.452	3.998	5	40	GHBB	
C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	7778130	PJCIIXHHHPTWQP-ZDUSSCGKSA-N	382.372	3.765	5	40	GHBB	
CC(C)(C)n1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cn1	58015165	IULBKHISCCQXRY-UHFFFAOYSA-N	392.359	3.583	5	40	GHBB	
Cc1ccc(Nc2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])cc1C	5051314	HPCCPFLWPRLRHQ-UHFFFAOYSA-N	378.436	3.982	5	40	GHBB	
COC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	17078811	FXHIEZDHSMREGW-FLIBITNWSA-N	386.429	3.974	5	40	GHBB	
COc1cc(Cl)c(C)cc1Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	7155808	XEIGUIJXGXOQNN-UHFFFAOYSA-N	399.856	3.559	5	40	GHBB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	845683	BSJYUKFQHQJXRD-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
CC(=O)Nc1ccc(Oc2cc(NC(=O)C(F)(F)F)cc([N+](=O)[O-])c2)cc1	1516063	CIMMKNSKJSHMHM-UHFFFAOYSA-N	383.282	3.846	5	40	GHBB	
COc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C	2686523	DXUIUDVROAUKBA-RDBACFOTSA-N	385.445	3.784	5	40	GHBB	
CC(=O)Nc1ccc(Nc2ccc([S@@](=O)C(F)(F)F)cc2[N+](=O)[O-])cc1	4868213	SXOCCVZOUCTHBU-SANMLTNESA-N	387.339	3.924	5	40	GHBB	
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ncnc3sccc23)CC1	7975286	NLKFNCIJSXZMDO-UHFFFAOYSA-N	375.841	3.580	5	40	GHBB	
C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1	14093465	MPAJFZKMEHNNKV-LLVKDONJSA-N	375.454	3.565	5	40	GHBB	
Cc1ccc([C@@H]2CCCN2c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	32829502	YEMOZNNOFPUEHK-IBGZPJMESA-N	395.459	3.717	5	40	GHBB	
CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1	79020607	ONBSNOPUNDCAPC-UHFFFAOYSA-N	375.812	3.773	5	40	GHBB	
COc1cc(NC[C@H](c2cccc(C)c2)N2CCOCC2)c([N+](=O)[O-])cc1F	79099349	XJWCJNPWWYFUPS-LJQANCHMSA-N	389.427	3.536	5	40	GHBB	
O=C(CCN1CCSC[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	96012952	VVFHFPQUHORULT-SFHVURJKSA-N	389.452	3.853	5	40	GHBB	
C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])C1	40107102	NEMHYXYPHFUOBG-KRWDZBQOSA-N	381.476	3.686	5	40	GHBB	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	40090859	NQGPFBFHDMHTIP-HOTGVXAUSA-N	395.459	3.894	5	40	GHBB	
O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	95116036	WCVNWYURTBVSDY-OAQYLSRUSA-N	392.459	3.758	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1	102819102	HYDMVVUGHPTGQT-UHFFFAOYSA-N	386.411	3.997	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	2501373	YLWKYWCBXGEOFS-QGZVFWFLSA-N	378.475	3.648	5	40	GHBB	
CCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	9062453	UVJBNGWTAXEZNB-UHFFFAOYSA-N	397.416	3.714	5	40	GHBB	
COc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1	24774716	OIHXQFAUDBLJQJ-FOIQADDNSA-N	398.463	3.951	5	40	GHBB	
Cc1ccc([C@H](NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1	24869617	ZVFKKCPPWXMVMO-SHBDEGQCSA-N	380.400	3.913	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ccc(F)cc1	9641726	AJIBDOJTNNGEIW-UHFFFAOYSA-N	378.303	3.640	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O	1774481	VMQLMLDBWWHPCC-UHFFFAOYSA-N	395.415	3.698	5	40	GHBB	
CC1CCN([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)CC1	28416852	AZIAETNWFBRIDK-QFBILLFUSA-N	393.553	3.948	5	40	GHBB	
Cc1cccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1[N+](=O)[O-]	10901705	YFTIAWAYILDTKL-UHFFFAOYSA-N	378.432	3.695	5	40	GHBB	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC	5895775	ODOFUHGQPUPEJH-UHFFFAOYSA-N	385.420	3.855	5	40	GHBB	
CSc1ccccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	5270713	DUFVJJQRORKENW-UHFFFAOYSA-N	395.440	3.779	5	40	GHBB	
CC(C)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1	12761465	USQQEUPBEOCZDB-KRWDZBQOSA-N	388.449	3.684	5	40	GHBB	
COC(=O)c1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc([N+](=O)[O-])c1	12861798	YANYLNWOBKVEDV-GFCCVEGCSA-N	386.429	3.913	5	40	GHBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C	20141023	OGCNOBQSOCWEJS-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
Cc1nc(-c2ccc(CC(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)cs1	40073811	GSFGIZBUZMZQSR-UHFFFAOYSA-N	396.472	3.798	5	40	GHBB	
O=C(NCc1cccc(C(F)(F)F)c1)c1cccn2c(=O)c3ccccc3nc12	51317284	FLXBDHGIMFLRMK-UHFFFAOYSA-N	397.356	3.797	5	40	GHBB	
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1cccc(O)c1)CC1CC1	72285502	PVNFEEQUZXRSAO-UHFFFAOYSA-N	392.415	3.539	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1	224660924	SUJUBVQVPCOPNK-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c([N+](=O)[O-])c3)N21	260772238	MZMYRNYFBHJLEY-XWIAVFTESA-N	384.461	3.978	5	40	GHBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cccc3ccccc13)[C@@H]1CCCN12	408566847	PMPHGFYWKQPESJ-NXYDZRKXSA-N	399.450	3.894	5	40	GHBB	
O=C(COC(=O)c1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	2638020	XQIZQATUOWSXOY-UHFFFAOYSA-N	391.792	3.653	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2Br)cc1	3169218	FVUPDZOGMSOXTL-UHFFFAOYSA-N	390.153	3.513	5	40	GHBB	
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])s1	5169710	YAZHREMPRIXZLT-UHFFFAOYSA-N	395.194	3.721	5	40	GHBB	
Cc1nn([C@@H](C)c2nnc(S)n2-c2cccc(Cl)c2)c(C)c1[N+](=O)[O-]	5425108	POZPFMJTVHRJFL-JTQLQIEISA-N	378.845	3.540	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccc(F)cc1	12791028	BPAATXUCQAAZLI-SFHVURJKSA-N	399.378	3.794	5	40	GHBB	
CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-]	17079238	XKDKIHUBAUYMKD-UHFFFAOYSA-N	388.361	3.764	5	40	GHBB	
CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1	20611680	IMGBTLISNNTKSA-UHFFFAOYSA-N	383.448	3.981	5	40	GHBB	
CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)c1c([N+](=O)[O-])ncn1C	40155552	YMJMCHYGRMTDRI-UHFFFAOYSA-N	386.431	3.707	5	40	GHBB	
C[C@@H](CC(=O)Nc1ccc2oc3ccccc3c(=O)c2c1)NC(=O)C1CCCC1	96004261	AJQXIEHKAQIVNO-AWEZNQCLSA-N	392.455	3.970	5	40	GHBB	
Cc1c(CN(C)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cnn1C	2769996	FSSAIIVMALCOAV-UHFFFAOYSA-N	378.841	3.777	5	40	GHBB	
O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	7481932	GJKNTVIUQIGWKL-UHFFFAOYSA-N	390.395	3.909	5	40	GHBB	
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cccc([N+](=O)[O-])c1	20763668	GHWPKMSOOPTEQY-UHFFFAOYSA-N	389.824	3.764	5	40	GHBB	
COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1	408566001	DMJUUXJVVCFKNH-KRWDZBQOSA-N	388.424	3.834	5	40	GHBB	
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(Cc1ccco1)Cc1cccs1	24462822	XYANCFKAGUYNIQ-UHFFFAOYSA-N	382.401	3.968	5	40	GHBB	
CN(CC(=O)N1CC=C(c2ccccc2)CC1)Cc1cc([N+](=O)[O-])ccc1Cl	37132645	NJEACKBVPOXVIG-UHFFFAOYSA-N	399.878	3.996	5	40	GHBB	
C[C@@H]1C[C@@H](OC[C@@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1	13306567	KBXHLTQMFWDNAE-BAGYTPMASA-N	376.561	3.626	5	40	GHBB	
COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	1416471	KSVOESNBDZTYPG-MHWRWJLKSA-N	398.396	3.618	5	40	GHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1	2410715	PHRBMNCELVGVCC-UHFFFAOYSA-N	399.454	3.710	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)C[C@@H](C)C3)n2)cc1	17207904	TUJSLHKVEYVDNL-CHWSQXEVSA-N	386.456	3.592	5	40	GHBB	
C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57274452	YQMHYWWHVSKQND-OAHLLOKOSA-N	379.420	3.528	5	40	GHBB	
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H](c1ccc(Br)cc1)C1CC1	97002724	KVOBQOQQUUEGKQ-MRXNPFEDSA-N	394.225	3.638	5	40	GHBB	
O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)c1cccc([N+](=O)[O-])c1	408625747	FKYHTCOFSCMXAH-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408646020	VITGNWCZHRHORY-NSHDSACASA-N	393.321	3.605	5	40	GHBB	
CCO[P@@](=O)(NC1CC1)SCc1nc(Cc2ccc([N+](=O)[O-])cc2)no1	2381171	DEKTWCXVJWGFAU-VWLOTQADSA-N	398.381	3.698	5	40	GHBB	
Cc1c(Cl)cccc1Nc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-]	4923749	BZJQUCREMTYTNT-UHFFFAOYSA-N	380.191	3.773	5	40	GHBB	
Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	6525648	CUSZIABLBRJXOH-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	975796	OJPCRFRPTQZBNH-LJQANCHMSA-N	395.415	3.698	5	40	GHBB	
O=c1[nH]c(/C=C\c2ccc(-c3ccccc3C(F)(F)F)o2)nc(O)c1[N+](=O)[O-]	9010304	RIQXPCSAADVWRZ-VURMDHGXSA-N	393.277	3.833	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1F	16129466	CWTUYXBUVHAZIB-UHFFFAOYSA-N	389.202	3.606	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1	30151275	FTHMIWBXOONQSS-SUMWQHHRSA-N	399.447	3.923	5	40	GHBB	
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	409051355	LEGHDGWLSIXFDF-UHFFFAOYSA-N	381.432	3.703	5	40	GHBB	
CCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	4677226	DUXSSFLKMIQKJW-UHFFFAOYSA-N	382.420	3.796	5	40	GHBB	
Cc1ccc(-c2nc(NC(=O)c3n[nH]c([N+](=O)[O-])c3Cl)sc2C)cc1	5641675	OLDBZZZWEYOIDR-UHFFFAOYSA-N	377.813	3.964	5	40	GHBB	
COc1ccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)cc1[N+](=O)[O-]	408529785	OMKBUHQDCVCSLE-UHFFFAOYSA-N	379.372	3.896	5	40	GHBB	
Cc1ccccc1[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	44904542	PLNZOPFOMVTXFA-FQEVSTJZSA-N	382.441	3.971	5	40	GHBB	
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20649952	LRWHQAMMWRISSW-NSHDSACASA-N	378.791	3.637	5	40	GHBB	
Cc1ccccc1NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	3044972	VUQBPQKBYLBKKS-UHFFFAOYSA-N	392.327	3.588	5	40	GHBB	
Cc1ccc(C)c(CSC2=NCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)c1	4120336	LZRBIPOIMOYIFN-UHFFFAOYSA-N	383.473	3.886	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1	4622574	IFZUVRVXTIOUEJ-ZDUSSCGKSA-N	383.187	3.847	5	40	GHBB	
O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	5263130	LEGNSKLNMKWRDP-UHFFFAOYSA-N	379.420	3.526	5	40	GHBB	
S=C(NCc1ccc2c(c1)OCO2)Nc1cc2cccnc2c2ncccc12	6896481	DHHZLQRIOJIFCG-UHFFFAOYSA-N	388.452	3.998	5	40	GHBB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCCCSc1ccccc1	7024356	XMXRXAFIHOWRMB-UHFFFAOYSA-N	380.853	3.926	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1	23381253	AWXWVXSMUOUTQU-UHFFFAOYSA-N	386.761	3.989	5	40	GHBB	
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2cccn2-c2cc3c(cc21)OCCO3	225380970	VRCNJCUYYHKOBS-OAHLLOKOSA-N	376.368	3.875	5	40	GHBB	
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1	3216578	KRXXZQLERCOMOL-UHFFFAOYSA-N	386.404	3.696	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Br)cc1	72228830	FFZSZOKIYGUUJO-UHFFFAOYSA-N	379.210	3.992	5	40	GHBB	
Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1	40146623	SEHCGUIBIBPVQH-GFCCVEGCSA-N	383.433	3.650	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)c1	5568785	DICDPZMSNHWHJI-HNNXBMFYSA-N	384.866	3.685	5	40	GHBB	
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1	9690675	WKBGYTZDJJRFPW-QGZVFWFLSA-N	390.823	3.746	5	40	GHBB	
O=[N+]([O-])c1cccc(C2=Nn3c(Cc4ccc(Cl)cc4)nnc3SC2)c1	9748058	GTWDMYASPOUODR-UHFFFAOYSA-N	385.836	3.789	5	40	GHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1F)NC1(C(F)(F)F)Oc2ccccc2O1	2494433	OJZJEEFEAXQSIH-UHFFFAOYSA-N	387.245	3.543	5	40	GHBB	
O=C(OCc1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1	12684924	GFZPLIQJXWXTBV-UHFFFAOYSA-N	392.415	3.738	5	40	GHBB	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1	12920486	ZXKVUHFPNLJKNN-UHFFFAOYSA-N	391.383	3.756	5	40	GHBB	
Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1	13211847	NHNOPIDBCZBAKJ-UHFFFAOYSA-N	390.428	3.999	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccco1	14831623	KNCCVMUZOCTCHX-FMIVXFBMSA-N	391.383	3.770	5	40	GHBB	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(NC(=O)C2CC2)cc1	30395244	FSHSDJCKSYADQM-CYBMUJFWSA-N	396.447	3.500	5	40	GHBB	
NC(=O)c1ccc(CN2CCCc3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])c1	84340881	JEEAONPCHPIFER-UHFFFAOYSA-N	379.338	3.665	5	40	GHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1	214764326	GBUOVJRBDUSGKG-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
Cc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]	223976291	MHVKIXHCVNKEPR-UHFFFAOYSA-N	392.477	3.558	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](N2CCc3ccccc3C2)C1	408605881	HBJIJJHKDOLJMR-GOSISDBHSA-N	399.878	3.911	5	40	GHBB	
O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-]	4979711	KHRCYJWESJBGMI-UHFFFAOYSA-N	394.836	3.912	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)CCN2Cc1cc2c(cc1Br)OCO2	8395815	VAJBTYXFFFXJQS-UHFFFAOYSA-N	377.194	3.649	5	40	GHBB	
O=C(COc1ccc(Cl)cc1Cl)N1CCN=Cc2cc([N+](=O)[O-])ccc21	73642480	IHGNPJWHPABNBF-UHFFFAOYSA-N	394.214	3.746	5	40	GHBB	
CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1	9461921	UVKWEECDLQNEJM-UHFFFAOYSA-N	379.416	3.879	5	40	GHBB	
COc1ccccc1/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO	10187312	BRUMOUOIXCXAAS-VXPUYCOJSA-N	385.445	3.748	5	40	GHBB	
O=[N+]([O-])c1cccc([C@H](O)c2ccc([C@@H](O)c3cccc([N+](=O)[O-])c3)s2)c1	504409431	HBGPGBIRLKUOTI-ROUUACIJSA-N	386.385	3.728	5	40	GHBB	
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1	12555647	XRQFXRZBNIVMRH-UHFFFAOYSA-N	382.342	3.525	5	40	GHBB	
Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1	9199169	OGZCIKVUXKDQQG-UHFFFAOYSA-N	384.417	3.608	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)cc1Cl	9156280	AZCKGKFYJFIHIG-DAFODLJHSA-N	378.743	3.906	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc(Cl)c1	4579931	YZFYGESQRZOONA-UHFFFAOYSA-N	396.852	3.612	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)c1	4901518	CVKGFQSVLMZDMX-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
COc1cccc(CN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1OC	7293395	GPSDXZNRWTVFHL-CYBMUJFWSA-N	398.419	3.855	5	40	GHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(CCc3c(C)n[nH]c3C)nc12	32117681	WRTMEYYEYMNMKJ-UHFFFAOYSA-N	377.477	3.629	5	40	GHBB	
CN(Cc1ccccc1)CC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1	89761682	AHXGAVVJASPHFE-UHFFFAOYSA-N	387.505	3.714	5	40	GHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C(C)C	13995624	IZLDWIXNTZBNAN-UHFFFAOYSA-N	383.861	3.714	5	40	GHBB	
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1nc2ccccc2s1	4134699	NASRGPFUKNTPAI-UHFFFAOYSA-N	377.403	3.695	5	40	GHBB	
O=[N+]([O-])c1ccc([C@H](c2nnnn2-c2cccc(Cl)c2)N2CCCCC2)cc1	54959662	FXONZSGHJKBGNC-GOSISDBHSA-N	398.854	3.799	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1	12642417	QFTLUSBEYRETTH-UHFFFAOYSA-N	379.372	3.586	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2	29797611	KZJCZUASGLLTOH-KRWDZBQOSA-N	382.416	3.662	5	40	GHBB	
Cc1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Br	20456879	CCGBZIGPRKMLJA-UHFFFAOYSA-N	385.239	3.608	5	40	GHBB	
CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	408537223	ZLOMKRNIURIMQL-JXMROGBWSA-N	395.419	3.675	5	40	GHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1	95433727	JEINJKWIPMZIFG-OAQYLSRUSA-N	396.468	3.998	5	40	GHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)cc1Cl	408568169	HVHOLRBHFAKIQS-ALJUPDBPSA-N	392.242	3.562	5	40	GHBB	
CCn1c(Cc2ccccc2)nnc1SCCOc1cccc([N+](=O)[O-])c1	40122988	BPNLFUOYSBYARA-UHFFFAOYSA-N	384.461	3.968	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1	16127586	STKHUVAUOLNXRT-UHFFFAOYSA-N	376.312	3.603	5	40	GHBB	
O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1	4120666	ZYHLPNOFFYPBTE-UHFFFAOYSA-N	377.372	3.618	5	40	GHBB	
O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1	907723	KVTYHYDIPOCBEI-SFHVURJKSA-N	381.388	3.527	5	40	GHBB	
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2	993979	PPKJBVQPDMHQFE-UHFFFAOYSA-N	379.825	3.540	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc(CN2CCCCC2)c1	224643696	RSZWDPLBDRFPJR-FMIVXFBMSA-N	379.460	3.910	5	40	GHBB	
Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1[N+](=O)[O-]	3511319	RRJDWFDBVNJWIH-UHFFFAOYSA-N	398.202	3.709	5	40	GHBB	
C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	4949984	KAAKGJOOOZVFAF-JTQLQIEISA-N	394.416	3.534	5	40	GHBB	
CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1	9669083	LWDDDSSTXHIFNM-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
Cc1cccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[N+](=O)[O-]	46645913	WOHTWHSUKLIEML-UHFFFAOYSA-N	395.246	3.567	5	40	GHBB	
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(Cl)ccc21	48346243	XBNZHFPAIMDGBJ-UHFFFAOYSA-N	376.825	3.866	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccccc3)nc21	2241172	OQAPVUIHVDYBRC-UHFFFAOYSA-N	383.407	3.557	5	40	GHBB	
CCOC(=O)[C@@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12	5644529	IKFVSVFHVALILA-YZGWKJHDSA-N	392.411	3.631	5	40	GHBB	
Cn1cnnc1Sc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	5696198	QZOJKXZKRSVPPR-VQHVLOKHSA-N	378.417	3.921	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	8538716	FRBKTDWIZMTPEH-SECBINFHSA-N	388.767	3.798	5	40	GHBB	
Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1	10142166	FZGMMBFSQSUIOT-MRVPVSSYSA-N	383.813	3.506	5	40	GHBB	
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])c2nsnc2c1	95458607	HAFQGIPXHPVNNW-UHFFFAOYSA-N	383.433	3.842	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@H](O)c2ccc([C@H](O)c3cccc([N+](=O)[O-])c3)s2)c1	504409430	HBGPGBIRLKUOTI-QZTJIDSGSA-N	386.385	3.728	5	40	GHBB	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(O)cc1	793763	NEJLUUAJKDBJIU-UHFFFAOYSA-N	376.324	3.893	5	40	GHBB	
C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	3610553	VXVLJMUQIPHUGI-NRFANRHFSA-N	375.384	3.715	5	40	GHBB	
CCN1CCc2c(sc3c2C(O)=N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	4556331	JUQMNLRCYBZEJW-SBSDFTTDSA-N	384.461	3.804	5	40	GHBB	
O=C(OCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1	4611508	BLZQALUAZSZEID-QGOAFFKASA-N	392.367	3.702	5	40	GHBB	
Cc1cc(C(=O)Nc2nn3cc(-c4ccccc4)nc3s2)ccc1[N+](=O)[O-]	6651262	WORQSGAXZBFYQF-UHFFFAOYSA-N	379.401	3.927	5	40	GHBB	
Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccccc1	8332396	UYQUXYUMUHZDFY-HNENSFHCSA-N	398.400	3.620	5	40	GHBB	
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1	12553294	PMOASYDXWLRROW-ZDUSSCGKSA-N	389.402	3.967	5	40	GHBB	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccccc2)CC1	23383578	STNCERGPGSKZQH-OAQYLSRUSA-N	395.459	3.755	5	40	GHBB	
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1Cl	32118635	QDPNBKAWHWKVPA-UHFFFAOYSA-N	393.896	3.677	5	40	GHBB	
CC(C)N1CCN(C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1	241588095	OZQMDUIWDHTFOD-UHFFFAOYSA-N	385.489	3.912	5	40	GHBB	
COc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1OC	4902923	BJRMZRVDGOQDOJ-UHFFFAOYSA-N	385.420	3.855	5	40	GHBB	
Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1	4520471	GFZGFIHNXMVYGD-UHFFFAOYSA-N	398.415	3.747	5	40	GHBB	
Cc1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	4616695	BIJYOKRYXURUKH-UHFFFAOYSA-N	383.429	3.935	5	40	GHBB	
CC(C)Oc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1	4740965	WAWSEHCDHHQZDQ-UHFFFAOYSA-N	377.828	3.877	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1	7890847	NMOUZNDMIWIEAG-CQSZACIVSA-N	397.456	3.990	5	40	GHBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(O)c(C(=O)O)c1	20145332	VTQPZKMNETYLPT-JXMROGBWSA-N	394.339	3.911	5	40	GHBB	
COc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC	44885960	SZGGOZUAIZOUEY-CYBMUJFWSA-N	390.461	3.723	5	40	GHBB	
Cc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)c1	714643	RRKPYBHZMITUBD-QGZVFWFLSA-N	393.321	3.513	5	40	GHBB	
CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	3622454	XYMIBDOKOAZSJV-MRXNPFEDSA-N	376.796	3.673	5	40	GHBB	
O=C(c1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	5637412	GWOWFEDGFULTBP-UHFFFAOYSA-N	385.367	3.638	5	40	GHBB	
Cc1ccc2cc(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(Cl)nc2c1	7990054	HXEDVXXPIMANJI-UHFFFAOYSA-N	381.775	3.901	5	40	GHBB	
Cc1cccc(-n2c(Sc3ncccc3[N+](=O)[O-])nc3ccccc3c2=O)n1	8706939	UAWQNMPSQNRJNX-UHFFFAOYSA-N	391.412	3.544	5	40	GHBB	
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	8917440	GKFVCIZJXGWFAA-HXUWFJFHSA-N	383.448	3.560	5	40	GHBB	
Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	12632989	FRLJXCOEZLDODJ-UHFFFAOYSA-N	394.406	3.553	5	40	GHBB	
COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	20141128	UXJHKJLWYBVWTA-UHFFFAOYSA-N	385.159	3.861	5	40	GHBB	
CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	222766533	KZJIPOFZDFTFIZ-ZWKOTPCHSA-N	380.429	3.852	5	40	GHBB	
O=[N+]([O-])c1ccc(NCCO)c(NCc2cnoc2-c2ccc(Cl)s2)c1	95972080	SOFABMLFLPCISO-UHFFFAOYSA-N	394.840	3.981	5	40	GHBB	
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2cccn2-c2cc3c(cc21)OCCO3	225380936	VRCNJCUYYHKOBS-HNNXBMFYSA-N	376.368	3.875	5	40	GHBB	
C[C@@](O)(Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1)[C@H]1C[C@H]2C=C[C@H]1C2	100082820	HFZJXUAWTSUNJP-MECALSEWSA-N	398.459	3.683	5	40	GHBB	
COC(=O)c1c2cc(Br)ccc2nc2cc(OC)cc(OC)c12	5045802	CTGXMIRNWPCHLD-UHFFFAOYSA-N	376.206	3.954	5	40	GHBB	
CC(=O)N[C@H](C)c1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1	24421369	GNDFRARSIDVEBP-LLVKDONJSA-N	376.796	3.707	5	40	GHBB	
Cc1nccn1CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	47676523	HFZBZXHNKLKNND-UHFFFAOYSA-N	379.420	3.663	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2C)o1	869038	QMVPXHGQIFMWPH-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Br)o3)nc12	10010596	AKIHWKCWMOAULU-UHFFFAOYSA-N	398.194	3.821	5	40	GHBB	
Cc1cc(-c2noc([C@@H](C)n3nc(C)c([N+](=O)[O-])c3C)n2)c2ccccc2n1	1432664	DWJZCZLGRYMKKM-CYBMUJFWSA-N	378.392	3.924	5	40	GHBB	
Cc1cccc(NN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c1	2071517	LDJDJQVJGFPTLH-UHFFFAOYSA-N	392.327	3.588	5	40	GHBB	
C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C	5745969	CMBWFHWFLDKKQO-RYUDHWBXSA-N	388.807	3.771	5	40	GHBB	
O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccco1	4883676	RKQYUYVPMSNUSU-GFCCVEGCSA-N	378.599	3.726	5	40	GHBB	
COc1cccc(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)c1	38829308	MFIGVHVIMXZGID-UHFFFAOYSA-N	387.439	3.824	5	40	GHBB	
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1F	4175976	DCYOCLLFYPSKCP-UHFFFAOYSA-N	384.392	3.919	5	40	GHBB	
O=[N+]([O-])c1cc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)ccc1Cl	855142	UZZKEWSHKCWTBX-HNNXBMFYSA-N	384.866	3.685	5	40	GHBB	
COCCn1c(-c2ccccc2Cl)nc2sc3ccccc3c(=O)c2c1=O	2212222	AENSLTRVDAWCCV-UHFFFAOYSA-N	398.871	3.938	5	40	GHBB	
CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)CNS(=O)(=O)c1ccccc1	4512943	NCJJDAOTEGKADS-UHFFFAOYSA-N	397.884	3.665	5	40	GHBB	
Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-]	4524247	UURIOZDYKBFWJP-UHFFFAOYSA-N	380.154	3.826	5	40	GHBB	
COC(=O)c1c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2	4797801	QSRAYAPSWKVQLO-UHFFFAOYSA-N	377.378	3.974	5	40	GHBB	
CCC(CC)(COC(=O)C(O)(c1ccccc1)c1ccccc1)C[N+](C)(C)C	5064884	MSHJQWJNEMYGJI-UHFFFAOYSA-N	384.540	3.978	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1	11275604	ADZRYXVIZLWNAU-UHFFFAOYSA-N	388.379	3.806	5	40	GHBB	
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57274448	YQMHYWWHVSKQND-HNNXBMFYSA-N	379.420	3.528	5	40	GHBB	
O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc2cc([N+](=O)[O-])ccc2n1	79056828	JPROMHBMENWSJN-UHFFFAOYSA-N	395.400	3.826	5	40	GHBB	
COc1cc(Br)c(C[N@+](C)([O-])CCc2ccc(O)cc2)cc1O	247923797	CYABSRBQSSENLQ-LJQANCHMSA-N	382.254	3.556	5	40	GHBB	
COCCNC(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	408975868	OOGIWAPTSTWGPG-UHFFFAOYSA-N	398.426	3.647	5	40	GHBB	
C[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1	6652145	KGPWWYGCGMPTJN-OAHLLOKOSA-N	389.477	3.595	5	40	GHBB	
COc1cc2c(cc1Br)CCN(C)C[C@H]2c1ccc([N+](=O)[O-])cc1	146517399	WHRWHCNKOIRDLB-INIZCTEOSA-N	391.265	3.986	5	40	GHBB	
COCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C	225860092	YSRJUBHCZBXULZ-UHFFFAOYSA-N	399.447	3.774	5	40	GHBB	
CCCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1	20033809	KVUFKIFRBRDFFC-UHFFFAOYSA-N	391.236	3.968	5	40	GHBB	
C[C@@H](NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	4657327	JCGCJMWKCGGMOK-JSFDKUKPSA-N	387.505	3.804	5	40	GHBB	
Cc1c(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)cccc1[N+](=O)[O-]	7979168	OYXCRARGAVBBOZ-UHFFFAOYSA-N	386.404	3.734	5	40	GHBB	
COc1cc2c(C=O)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C	730623	IXHDNZKSQDEGGB-UHFFFAOYSA-N	381.428	3.832	5	40	GHBB	biogenic
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCn1cnc2ccccc21	40068765	YNZFCZKVCGGSBI-OAHLLOKOSA-N	381.436	3.737	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(Br)s1	7141107	CAFUKMIJDQRERI-QPJJXVBHSA-N	396.218	3.858	5	40	GHBB	
C[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	8287306	PJICHSBCIYJOEI-XLKFXECMSA-N	386.191	3.833	5	40	GHBB	
COc1cc2c(cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1OC)CCCC2	255187986	IDMMBTILKJAJRR-UHFFFAOYSA-N	386.404	3.752	5	40	GHBB	
O=[N+]([O-])c1cc(F)cnc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1	1166572140	NRTDYTMCTCLGEJ-UHFFFAOYSA-N	387.802	3.657	5	40	GHBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1	1410091	OLNCUJPNMYMTQZ-KRXBUXKQSA-N	387.823	3.737	5	40	GHBB	
O=C(COC(=O)c1cccnc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	5763712	DADRDYMWNCHCOD-UHFFFAOYSA-N	378.340	3.822	5	40	GHBB	
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl	20493494	FKFLDASMRQCHOG-UHFFFAOYSA-N	398.824	3.534	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1	23043055	AKDQOIWUTUWYTR-UHFFFAOYSA-N	387.867	3.572	5	40	GHBB	
C[C@H](SCc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)O	25106696	NEQUIIHUSLAORW-JTQLQIEISA-N	375.381	3.779	5	40	GHBB	
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	33096182	DYDOKVFVTMHGKO-LBPRGKRZSA-N	398.202	3.738	5	40	GHBB	
COc1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	33750965	ISVHCZNIAVKXQL-UHFFFAOYSA-N	397.412	3.990	5	40	GHBB	
Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1	84144591	GETHNFKRPXTUBB-UHFFFAOYSA-N	399.266	3.799	5	40	GHBB	
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	13012686	FHBSHPVAGYPOIW-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=O)N1C	1082693	PPRJVZXWFZCHBN-LJQANCHMSA-N	395.415	3.617	5	40	GHBB	
Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)c1	4902595	OALAKZCCBSMDJG-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
COc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1N1CCCC1=O	5440239	RLTAVWKZUQNVHX-UHFFFAOYSA-N	389.795	3.636	5	40	GHBB	
Cc1c(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cccc1[N+](=O)[O-]	7759197	HSMNYBVVRMCFJN-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1OC	21901265	VASLZPUHPPXLKW-UHFFFAOYSA-N	394.387	3.711	5	40	GHBB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1	4591197	JUPJEHJIGSAQRV-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	32724214	VEJDNIRJSFUGGT-NSHDSACASA-N	396.355	3.541	5	40	GHBB	
O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	95997559	KGPHSOOJUWYSSD-UHFFFAOYSA-N	382.294	3.566	5	40	GHBB	
O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1	106680712	SRUXOIFHNUBBBT-APSNUPSMSA-N	384.369	3.560	5	40	GHBB	
CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)cc1C(=O)c1nc2ccccc2s1	752984	SCEDJJXQSXUFKX-UHFFFAOYSA-N	392.396	3.824	5	40	GHBB	
O=C(COC(=O)c1ccncc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	971807	MHTWOWGXCTXAFO-UHFFFAOYSA-N	378.340	3.822	5	40	GHBB	
O=C(c1ccccc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	3158333	UOCZRPPQBCBPHO-UHFFFAOYSA-N	392.323	3.953	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2n1	5357621	XOSPMQPPQMQITD-UHFFFAOYSA-N	399.790	3.900	5	40	GHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)Oc2ccc(C3SCCS3)cc2)c1	89780840	NMMXVLKWGARMKQ-UHFFFAOYSA-N	397.499	3.982	5	40	GHBB	
Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	408713891	CBJQIJVESZNFMI-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	408760505	ZTBSHDZHUWXYMF-POHNSKBLSA-N	386.407	3.819	5	40	GHBB	
Cc1ccc(NC(=O)CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)cc1	862945	NACLUTKZVNOQBN-UHFFFAOYSA-N	393.399	3.777	5	40	GHBB	
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3138253	UMCKFPNCQVBOEI-UHFFFAOYSA-N	389.323	3.967	5	40	GHBB	
CNC(=O)c1ccc(N(C[C@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])c1	72301705	FXCFEFCCEHTXOS-BDVYOWHSSA-N	375.469	3.519	5	40	GHBB	
O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1[N+](=O)[O-]	408564509	ZADOECSDNBICCA-UHFFFAOYSA-N	385.401	3.526	5	40	GHBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)cc1	5710618	PJRJWHVSXWZWPY-OAHLLOKOSA-N	397.431	3.769	5	40	GHBB	
O=c1[nH]c(O)nc2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)C=C(c1ccccc1)O2	16477956	ISSVJQALNOFXIT-ZDUSSCGKSA-N	397.774	3.603	5	40	GHBB	
CCN(c1ccccc1Br)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224773500	VOOROEZKEDUQIV-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1	59200731	MHPFDHMTGQOFEF-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	58004821	ICMRMHMFUCLTQS-UHFFFAOYSA-N	391.449	3.616	5	40	GHBB	
Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1	9616215	HSXCWRXIYYKXHS-JTQLQIEISA-N	384.219	3.861	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCOc1cc(Cl)ccc1Cl	7061992	JGDQYNDHKUXHPH-UHFFFAOYSA-N	381.171	3.577	5	40	GHBB	
O=[N+]([O-])c1cccc([C@H](c2nnnn2-c2cccc(Cl)c2)N2CCCCC2)c1	55190182	DJFUCAFAMRCVNY-GOSISDBHSA-N	398.854	3.799	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-]	5785652	KPBRUQVVGZWXMK-DDUZABMNSA-N	393.436	3.764	5	40	GHBB	
CCn1c(-c2ccncc2)nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1=S	36395916	OXJHRKYTTODDJV-ZDUSSCGKSA-N	396.476	3.813	5	40	GHBB	
O=C(NCc1cccnc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl	40074523	LEWBUCFOSIPBBM-UHFFFAOYSA-N	389.717	3.514	5	40	GHBB	
COc1ccc(NCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1	925040	CYXSLHVQBJCDLG-UHFFFAOYSA-N	385.449	3.636	5	40	GHBB	
C[C@H]1C[C@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1	5447210	KBXHLTQMFWDNAE-NNWRFLSQSA-N	376.561	3.626	5	40	GHBB	
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CCCCC1	6658423	ASDATCVBKADONA-UHFFFAOYSA-N	375.454	3.502	5	40	GHBB	
C[C@@H](OC(=O)[C@]1(C)CC1(Cl)Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	8287301	PJICHSBCIYJOEI-CLAHSXSESA-N	386.191	3.833	5	40	GHBB	
C[C@@H](Sc1nncs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	9126561	VWKCDZLBXWQLKH-MRVPVSSYSA-N	393.475	3.689	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	71794793	UJNIQQGNOGMQPU-OAHLLOKOSA-N	375.384	3.740	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCOc1ccccc1Cl	223407611	SBGSCMNSKIIIPR-UHFFFAOYSA-N	380.853	3.677	5	40	GHBB	
Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc([N+](=O)[O-])cc3)NC(=O)CCN21	5516616	UJINVANWZCPEQX-YUAYGMJFSA-N	377.444	3.930	5	40	GHBB	
O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	19315402	YYJKHFPKIRBVEV-CQSZACIVSA-N	394.686	3.897	5	40	GHBB	
Cc1oc(-c2ccccc2)nc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	32892780	REVGSWWNXNKXTR-UHFFFAOYSA-N	381.388	3.981	5	40	GHBB	
COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC	408616954	AUNOMPGYNZSXHM-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	409053464	CUZLUVBHWKYANZ-UHFFFAOYSA-N	381.432	3.703	5	40	GHBB	
Cc1nc(Cl)c(C(=O)NC(=O)NCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]	970401	AUZHFYZMNMMQDS-UHFFFAOYSA-N	397.218	3.553	5	40	GHBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	4695665	GBNZDTHJIYUTIO-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
COc1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c(C)c1[N+](=O)[O-]	4881436	JLIJFKPHHVRXIF-UHFFFAOYSA-N	397.288	3.712	5	40	GHBB	
Cc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1	6256788	HGTZEXSOOLAYLJ-UHFFFAOYSA-N	382.401	3.685	5	40	GHBB	
O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-]	6475953	AYBPULWBYWRCMO-UHFFFAOYSA-N	390.395	3.986	5	40	GHBB	
CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2O1	7453716	ABALUYUHRXDLFP-UHFFFAOYSA-N	399.428	3.936	5	40	GHBB	
O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	19229131	KMVUXNRMNCYGHU-ZDUSSCGKSA-N	380.659	3.507	5	40	GHBB	
CN(Cc1c(F)cccc1Cl)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	33155360	MOWKLGJCYXYTSY-UHFFFAOYSA-N	388.786	3.845	5	40	GHBB	
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1	57388031	HLYOSPAHICTFOF-UHFFFAOYSA-N	397.866	3.756	5	40	GHBB	
CCN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O	409230876	GWFQYWRRVKCEGG-WOJGMQOQSA-N	390.399	3.510	5	40	GHBB	
O=c1cc(-c2ccccc2)n2c(-c3ccco3)nn(-c3ccc([N+](=O)[O-])cc3)c2n1	1035564	OMGSZZPTPUSBCT-UHFFFAOYSA-N	399.366	3.715	5	40	GHBB	biogenic
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H](C)Sc2ccccc21	6290512	QJVNUCBKZABRRT-CYBMUJFWSA-N	388.445	3.900	5	40	GHBB	
CC(=O)c1ccc(Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])c1	8203771	ZWYFZTLGULZYJG-UHFFFAOYSA-N	398.444	3.987	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1	976277	XPKKVNMOVYHUCU-UHFFFAOYSA-N	383.433	3.604	5	40	GHBB	
CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1	2414473	UTDOORRCCBEOCH-DZGCQCFKSA-N	391.475	3.753	5	40	GHBB	
O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1CCC1=CCCCC1	38829220	ARUMKZIQMXYQHD-UHFFFAOYSA-N	398.466	3.986	5	40	GHBB	
C[C@@H](Oc1ccccc1)C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	32829639	RVKBTHNYLSJWNW-CHWSQXEVSA-N	383.360	3.717	5	40	GHBB	
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)c3ccc(Cl)cc3)ccc12	4708648	DQYXQPKWPZCJER-UHFFFAOYSA-N	384.844	3.642	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1	5505124	OMTXBVVIQNVSLZ-LJQANCHMSA-N	394.431	3.985	5	40	GHBB	
Cc1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)ccc1[N+](=O)[O-]	5555566	HKBKGTRCULAZMA-UHFFFAOYSA-N	379.166	3.616	5	40	GHBB	
Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c(C)c1	21887593	LYVHIYZGPUTSCQ-UHFFFAOYSA-N	392.415	3.627	5	40	GHBB	
CCc1nc(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O)n[nH]1	213390437	UZGLXXADGPIQFP-ZROIWOOFSA-N	386.389	3.753	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1	4602036	IRRIXZZRBRMQMX-ZDUSSCGKSA-N	383.187	3.847	5	40	GHBB	
Cc1cc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1C	10942049	QUJHSOYKHWAWHE-UHFFFAOYSA-N	382.420	3.611	5	40	GHBB	
CCOc1ccccc1-c1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1	19927207	NYQMTQDXKBUBQL-FMIVXFBMSA-N	380.360	3.695	5	40	GHBB	
COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c([N+](=O)[O-])cc1OC	40142555	FUNRSDYCQILAJW-CQSZACIVSA-N	388.420	3.957	5	40	GHBB	
Cc1ccccc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	44903013	IXICMLIVVWGLSD-HXUWFJFHSA-N	382.441	3.971	5	40	GHBB	
CCCOc1ccc(CNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1	57477677	DXPRMNQIGDYKPD-UHFFFAOYSA-N	387.439	3.567	5	40	GHBB	
Cc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)c1	72229088	JCAAQYFECHSMQB-UHFFFAOYSA-N	388.855	3.561	5	40	GHBB	
NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	106531578	LBBDLPSHYLONHA-YKHWKNEFSA-N	391.777	3.890	5	40	GHBB	
COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	408554323	DDTHOGFIHLHHGD-MRXNPFEDSA-N	380.809	3.741	5	40	GHBB	
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	853050	PQTXVKJFURXCER-UJKMTWAASA-N	396.402	3.991	5	40	GHBB	biogenic
O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1	2655399	BSPKMHACHGORJK-DHZHZOJOSA-N	376.368	3.943	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1CN1CCCCC1	7850047	AYXRTELNKGBDJT-VAWYXSNFSA-N	379.460	3.910	5	40	GHBB	
O=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)Sc1nnc2c(n1)[nH]c1ccccc12	20814217	SLMUCHIREKLOJR-ZROIWOOFSA-N	393.384	3.632	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1	24560312	JKIDXKGGCBGUJN-HXUWFJFHSA-N	390.443	3.576	5	40	GHBB	
O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccc(Cl)c([N+](=O)[O-])c1	47705926	FTHRQICWRZKKFX-UHFFFAOYSA-N	395.774	3.618	5	40	GHBB	
C[C@H](Oc1ccccc1[N+](=O)[O-])c1nc2c3c4c(sc3ncn2n1)CCC4	2787089	JYEPQYDUDVSFKG-JTQLQIEISA-N	381.417	3.876	5	40	GHBB	
O=C(COC(=O)Cc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F	3300427	AGWOTZJSLBKAOH-UHFFFAOYSA-N	382.347	3.612	5	40	GHBB	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	7982852	GYYZHQGAJATCBT-AWEZNQCLSA-N	388.445	3.707	5	40	GHBB	
CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	12411609	MGPFQJNDWRBPRD-YVLHZVERSA-N	399.428	3.711	5	40	GHBB	
COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	1005055	WUUPEKZYYNJLBP-CXUHLZMHSA-N	386.385	3.506	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cn1	5701174	UTFRBHZKGGDUNX-LLVKDONJSA-N	389.462	3.640	5	40	GHBB	
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1	20144882	MRTFYZPQOGMTKV-UHFFFAOYSA-N	382.372	3.673	5	40	GHBB	
CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1	4585310	DVVYTYHDKGJVJY-UHFFFAOYSA-N	388.449	3.786	5	40	GHBB	
Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Br	5121399	RNYIARCIFXXYCO-UHFFFAOYSA-N	385.239	3.775	5	40	GHBB	
O=C(Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1	15010801	NUWXPWXHTSXSCC-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	33133174	ZMXJNFHEMILPCC-LBPRGKRZSA-N	398.202	3.738	5	40	GHBB	
CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1	6000416	WCLFLCRCSUOXIP-NSHDSACASA-N	386.433	3.989	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3	19284926	YEKAPGDUOCDLMK-UHFFFAOYSA-N	395.367	3.556	5	40	GHBB	
CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	45797265	STWIYPHFQJBBAF-UHFFFAOYSA-N	389.260	3.863	5	40	GHBB	
Cc1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1	3195463	LJAQUCHPASHBMZ-UHFFFAOYSA-N	386.363	3.935	5	40	GHBB	
CCCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3)nnc12	3375599	PSQHKJYPXVIYJM-UHFFFAOYSA-N	395.444	3.655	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	7574026	DEOKSZTUPQQGDY-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccccc3s2)CC1	8586607	KKMZVLZKRVQRTJ-UHFFFAOYSA-N	397.456	3.990	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNc1ccc(Cl)c(Cl)c1	12759547	ALFFGHQDOFOUNP-UHFFFAOYSA-N	376.221	3.515	5	40	GHBB	
Cc1cc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1	12914985	BVSMGIFFCCMLDE-UHFFFAOYSA-N	386.795	3.760	5	40	GHBB	
Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	12926081	SKRDQYNVOLXIHQ-HNNXBMFYSA-N	391.427	3.664	5	40	GHBB	
CSc1nccn1-c1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1	42770067	KYLSKYDMTBHKKX-UHFFFAOYSA-N	382.445	3.775	5	40	GHBB	
CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl	44880576	YWETXFHTWXKIGH-UHFFFAOYSA-N	398.824	3.534	5	40	GHBB	
COc1ccc(Cl)cc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1	58951851	IQHTXIJKCJNXSY-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)nn(C3CCCCC3)c2N1	5632960	HICMTOVVJSFNBN-INIZCTEOSA-N	388.449	3.777	5	40	GHBB	
CNc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-]	12613976	OSRZWZBOWGFDCS-UHFFFAOYSA-N	382.445	3.998	5	40	GHBB	
COc1ccccc1/C=C1\SC(=O)N(CNc2cccc([N+](=O)[O-])c2)C1=O	13305282	PWDYWHPPUGEHSK-SXGWCWSVSA-N	385.401	3.709	5	40	GHBB	
Cc1oc(-c2cccs2)nc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	32893122	CKKCNWXLVMAYMH-UHFFFAOYSA-N	388.357	3.705	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-]	4176777	PEUCKTCTPARVOM-MRXNPFEDSA-N	398.893	3.993	5	40	GHBB	
CCOC(=O)c1c(COc2ccc(C)nc2[N+](=O)[O-])nc2ccccc2c1C	7229473	CCFOXEAXXVYTMO-UHFFFAOYSA-N	381.388	3.911	5	40	GHBB	
COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-]	8745846	MEGUZHNCSCEDTO-UHFFFAOYSA-N	378.768	3.670	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)OCCCOc2ccc(F)cc2)cc1OC	19357864	AVQRAMFMVFPDOD-UHFFFAOYSA-N	393.367	3.767	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1	33094105	NZXQHGBSDRTHCZ-GFCCVEGCSA-N	398.202	3.738	5	40	GHBB	
O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	48326109	ORKIDVIDVDOPIZ-UHFFFAOYSA-N	376.363	3.664	5	40	GHBB	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC=C(c2ccc(O)cc2)CC1	57841174	JVNZZXIFNNCAAH-UHFFFAOYSA-N	379.416	3.804	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3ccn[nH]3)C2)c([N+](=O)[O-])c1	84519315	PFRZUAPPXGURDV-KRWDZBQOSA-N	376.416	3.933	5	40	GHBB	
Cc1ccccc1-n1nnnc1C1(Nc2cc([N+](=O)[O-])ccc2O)CCCCC1	23504926	BWYYDKSEWQJFTF-UHFFFAOYSA-N	394.435	3.856	5	40	GHBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc2ccccc2c1	12554292	PKXOWNZRNVHTIB-UHFFFAOYSA-N	379.416	3.623	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)COc1ccc(C)cc1[N+](=O)[O-])O[C@@H](C)C2	11066659	DCIKJXPXENAKDV-ZDUSSCGKSA-N	386.404	3.643	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)s1	4744651	IUAUBCVZFJPZTK-UHFFFAOYSA-N	387.446	3.548	5	40	GHBB	
O=C(OC1C2CC3CC(C2)CC1C3)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	45221323	LGHWWVCELUSVHU-UHFFFAOYSA-N	385.464	3.678	5	40	GHBB	
CCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21	225074379	MYKNEJBQKQMBRZ-UHFFFAOYSA-N	377.809	3.897	5	40	GHBB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc([N+](=O)[O-])ccc3OC)N21	260778013	QYCZXBPGYMDNDQ-PJSAGSTRSA-N	384.461	3.978	5	40	GHBB	
COC(=O)c1ccc(NCCc2ccc(Br)cc2)c([N+](=O)[O-])c1	498050495	GHRQNQKNZILISE-UHFFFAOYSA-N	379.210	3.799	5	40	GHBB	
Cc1ccc(C2=N/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)O2)cc1[N+](=O)[O-]	4460243	CEYUDAIGIAFLLM-PQMHYQBVSA-N	386.747	3.630	5	40	GHBB	
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21	6262542	UWYRDNCOMXXPNJ-ZGXWSNOMSA-N	377.444	3.804	5	40	GHBB	
Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	4017465	YUXDLQSNXOJLDN-UHFFFAOYSA-N	382.441	3.971	5	40	GHBB	
C[C@@H]1C[C@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1	5447209	KBXHLTQMFWDNAE-FCEUIQTBSA-N	376.561	3.626	5	40	GHBB	
CCOc1ccc2oc(C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])c(C)c2c1	16811705	SYCYICNWFYJYRA-UHFFFAOYSA-N	398.371	3.504	5	40	GHBB	
Cc1cc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c(N)c([N+](=O)[O-])c1	72274082	KPOPSNUCNWJOJM-UHFFFAOYSA-N	383.433	3.622	5	40	GHBB	
O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccn1	6996069	VZPJSHFFAWUPMW-CYBMUJFWSA-N	389.626	3.528	5	40	GHBB	
O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	89834935	CHOGZYWRMVUPKP-LJQANCHMSA-N	394.475	3.564	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br	95081273	MRPAPTWWUOMFBL-UHFFFAOYSA-N	376.254	3.680	5	40	GHBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccccc3c2C1	25463518	VANUREFOJBMRSY-UHFFFAOYSA-N	378.432	3.853	5	40	GHBB	
C[C@H](CCc1ccccc1)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1	32777265	XZVMTQVXBDHNLE-CYBMUJFWSA-N	385.445	3.966	5	40	GHBB	
COCCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	506005446	WQEKPLSPNHNVOZ-UHFFFAOYSA-N	386.477	3.705	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	8475639	RRIMZHRQSVEISZ-UHFFFAOYSA-N	378.388	3.649	5	40	GHBB	
Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N2CCOCC2)o1	12558132	BYCPQFAXUCBZRQ-LJQANCHMSA-N	382.420	3.530	5	40	GHBB	
Cc1cccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c1	4958741	SINPXQWLGHIEPM-UHFFFAOYSA-N	394.431	3.933	5	40	GHBB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]	39435477	BNEXJWVKZYYMRC-HNNXBMFYSA-N	386.404	3.636	5	40	GHBB	
CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	42629907	MPHCYZWSMVRODO-UHFFFAOYSA-N	375.812	3.983	5	40	GHBB	
CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	222766716	PIDNLSUWUJPWKG-MSOLQXFVSA-N	380.429	3.852	5	40	GHBB	
C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3	5234566	WXYQBDUESZGSKL-STDAWHRDSA-N	398.912	3.987	5	40	GHBB	
C[C@H]1CCc2c(sc3nc(O)n4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1	32682169	HPTFRGKMTFTTFZ-VIFPVBQESA-N	381.417	3.745	5	40	GHBB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	32909236	JDBWBYIBYVXVRQ-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1	4033858	TYLQDKKEHZRFSJ-UHFFFAOYSA-N	394.412	3.710	5	40	GHBB	
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1	5865918	ZTNUHRRWIZMYKG-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
CCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	6051211	TYLSKNIKDDJAEO-UHFFFAOYSA-N	387.388	3.822	5	40	GHBB	
Cc1csc(Sc2ccc(C(=O)NCc3ccccn3)cc2[N+](=O)[O-])n1	7785029	GLLKSTPDFKHVOS-UHFFFAOYSA-N	386.458	3.836	5	40	GHBB	
CCc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	8816172	OVYNGWCEMCBOKK-UHFFFAOYSA-N	397.460	3.684	5	40	GHBB	
C[C@H](Sc1nnc(-c2ccco2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	9514867	GGRQSNQHXMACSN-JTQLQIEISA-N	398.404	3.887	5	40	GHBB	
Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	408627624	MRQSWEWFVWIPFL-UHFFFAOYSA-N	384.461	3.630	5	40	GHBB	
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	408627982	OZVHXWZSKHFWDT-UHFFFAOYSA-N	398.488	3.958	5	40	GHBB	
COCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O	409136206	RPLJWQHRSVVOEC-MHWRWJLKSA-N	388.401	3.846	5	40	GHBB	
COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(C(C)C)nc3oc2c1	2358416	RSUFFNFPAITNDP-UHFFFAOYSA-N	376.412	3.683	5	40	GHBB	
Cc1ccc(C2=N/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1[N+](=O)[O-]	4696726	YWADTJNGTZWETM-QPTIXVFQSA-N	379.328	3.712	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2ccccc2Cl)c1=O	5269844	RFAJTMWPTIACSF-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CCOc1ccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	6638047	RBZKUXQAQXFMOO-UHFFFAOYSA-N	377.828	3.717	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)N1CCCCC1	14831577	RKSUPUUVCKRNSG-VAWYXSNFSA-N	379.416	3.873	5	40	GHBB	
Cc1cccc(N2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)c1	16281620	WSAPWNGHLOKISD-MRXNPFEDSA-N	385.489	3.733	5	40	GHBB	
O=c1c2cc3c(=O)n(-c4ccccc4)ccc3nc2ccn1CCc1ccccc1	21005823	GZNGERLWPXMVJQ-UHFFFAOYSA-N	393.446	3.943	5	40	GHBB	
Cc1c(CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)cccc1[N+](=O)[O-]	59010305	KXSSQFQPXLRGHO-NRFANRHFSA-N	381.432	3.994	5	40	GHBB	
O=C(O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	226345410	YSJVXWZDRJTPEW-UHFFFAOYSA-N	380.194	3.954	5	40	GHBB	
Cc1cc2nc3s/c(=C\c4cc([N+](=O)[O-])ccc4Cl)c(=O)n3c2cc1C	408721357	PZRPLORFLYZEQK-PXNMLYILSA-N	385.832	3.635	5	40	GHBB	
O=[N+]([O-])c1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1	2789930	CWTPGJSOWYITBE-UHFFFAOYSA-N	381.417	3.705	5	40	GHBB	
C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C1	5067676	YXEZSGUHVDQCGP-QWRGUYRKSA-N	376.848	3.846	5	40	GHBB	
O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	5800172	QKQUMJATQGIOIR-IBGZPJMESA-N	388.383	3.506	5	40	GHBB	
C[C@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccc(Cl)cc1Cl	6831582	XGVSBNNSMIVRKI-QMMMGPOBSA-N	390.248	3.722	5	40	GHBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC1CC1	15318331	FANUXPKSQJLUPI-UXBLZVDNSA-N	385.807	3.792	5	40	GHBB	
CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1	20411793	RHRXFIDMQQOWRX-UHFFFAOYSA-N	375.362	3.615	5	40	GHBB	
COc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(F)F	25457350	KPOBIJRZBUULRK-JTQLQIEISA-N	381.335	3.644	5	40	GHBB	
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N3CCC(C)CC3)c12	36618429	NAPHHVWZGARGRU-UHFFFAOYSA-N	380.404	3.979	5	40	GHBB	
Cc1cccc(OC2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)n1	96011351	XEJRYBCSKDCXHW-UHFFFAOYSA-N	393.241	3.504	5	40	GHBB	
COC(=O)c1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1	5444045	CDCUXRORMQVVQT-CSNVJCEJSA-N	386.448	3.716	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)cc2)c1	5570025	KSDJEIGXPBDDDH-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)NCC1(N2CCCCC2)CCCCC1	6560491	ZMIGHWJYWLROIA-UHFFFAOYSA-N	391.537	3.992	5	40	GHBB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	7342086	ARRWPYQEYGPTRX-UHFFFAOYSA-N	398.400	3.578	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc([N+](=O)[O-])c1	14409829	AVHRHAMHZPWYPH-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
C[C@H]1CCCN(Cc2ccc(CNC(=O)COc3ccccc3[N+](=O)[O-])cc2)C1	40106640	LLVHVTCVVGCPMY-KRWDZBQOSA-N	397.475	3.522	5	40	GHBB	
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	853047	PQTXVKJFURXCER-LIKPIUCQSA-N	396.402	3.991	5	40	GHBB	biogenic
CCOc1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1	4120103	WVEHZYRVMQSWAJ-UHFFFAOYSA-N	385.445	3.739	5	40	GHBB	
CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cnn(Cc2ccccc2)c1	16694694	ILSPELAOMTWWBB-CMDGGOBGSA-N	378.388	3.582	5	40	GHBB	
CNC(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1	53550236	INZPLLVAFIXAHP-UHFFFAOYSA-N	396.472	3.948	5	40	GHBB	
O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1	2619932	BRBLUWQXAYJSQO-UHFFFAOYSA-N	380.788	3.994	5	40	GHBB	
O=c1nc2n(-c3ccc(N4CCCCCC4)cc3)c3ccccc3cc-2c(=O)[nH]1	59497764	PVRZEVONHVVNDE-UHFFFAOYSA-N	386.455	3.559	5	40	GHBB	
O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc([N+](=O)[O-])o1	3316424	MEMLIESJKHJVFH-UHFFFAOYSA-N	378.425	3.839	5	40	GHBB	
Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1[N+](=O)[O-]	57566185	XHOBYRQNVUTSQF-UHFFFAOYSA-N	379.372	3.679	5	40	GHBB	
CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	222766421	KZJIPOFZDFTFIZ-ROUUACIJSA-N	380.429	3.852	5	40	GHBB	
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	4952372	BONHPFJCVKFDJI-UHFFFAOYSA-N	398.400	3.578	5	40	GHBB	
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1	5829703	SAVPDNSCFWRGNU-UHFFFAOYSA-N	392.433	3.570	5	40	GHBB	
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7882613	JFUHUEKECOPATM-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)cc1	9356951	TUJSLHKVEYVDNL-STQMWFEESA-N	386.456	3.592	5	40	GHBB	
O=c1cc(CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc2sccn12	2626361	BBDQCRYDLZFAGX-UHFFFAOYSA-N	387.364	3.975	5	40	GHBB	
C[N+]12CCCC[C@@H]1[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)CCC2	4039802	SPIFXQQJEWETEO-VEMNNVBWSA-N	394.535	3.875	5	40	GHBB	
C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(-c2ccccc2)cs1	5559361	YUIBKHASVQGAIY-GFCCVEGCSA-N	397.412	3.902	5	40	GHBB	
COc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1	5852064	UUDLTAXYJYIPEQ-UHFFFAOYSA-N	389.747	3.720	5	40	GHBB	
COc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1	9582074	CPVCFBPLGDCYMG-UHFFFAOYSA-N	396.403	3.704	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	12781068	CFTLSRFMVJXDCG-DNXKIMQPSA-N	380.400	3.743	5	40	GHBB	
CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	89942258	ZIGGUFGQAZGAIJ-CYBMUJFWSA-N	391.468	3.752	5	40	GHBB	
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C12CC2	408767335	ZGFBWFUSASNPTQ-WTGUMLROSA-N	386.407	3.963	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	409052639	VFPWGJKTWGMPKQ-UHFFFAOYSA-N	387.823	3.739	5	40	GHBB	
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1	850969	STYRTVCLSVZEQE-AQTBWJFISA-N	391.383	3.906	5	40	GHBB	
O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1	6251239	XBYYALLCSKQMKC-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)c(Cl)c1	7950155	RWYWDENNCJXQTN-DAFODLJHSA-N	378.743	3.906	5	40	GHBB	
Nn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1C(F)(F)F	7975816	YAPONHWYCROXMP-UHFFFAOYSA-N	392.362	3.563	5	40	GHBB	
COc1ccc(Br)cc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)O	39983760	QGUUGWVMBSZPFU-DUXPYHPUSA-N	379.166	3.630	5	40	GHBB	
O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1csc(-c2ccc(F)cc2)n1	58378258	FJGGQMBYFNGXBI-UHFFFAOYSA-N	398.368	3.764	5	40	GHBB	
Cc1cc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-]	218134011	BSELEOPGUYGOPK-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(/C=C\c2cccc(OCc3ccc(F)cc3)c2)nc1O	409352042	VVVCYUWMOJUODD-TWGQIWQCSA-N	383.335	3.685	5	40	GHBB	
Cc1nn(C(=O)c2ccc([N+](=O)[O-])o2)c(C)c1Sc1ccc([N+](=O)[O-])cc1	3182884	ZDTQGOBTPDWGHA-UHFFFAOYSA-N	388.361	3.749	5	40	GHBB	
COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	4176004	OFQYLOVOBWFTPP-UHFFFAOYSA-N	396.428	3.788	5	40	GHBB	
CCc1ccc(Nc2c([N+](=O)[O-])nn(-c3cccc(C(F)(F)F)c3)[n+]2[O-])cc1	4885444	QDTWOVGXGNIKOX-UHFFFAOYSA-N	393.325	3.739	5	40	GHBB	
COc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)ccc1OCC(=O)O	5935916	LWTHWWUDJAWPEX-FNORWQNLSA-N	380.356	3.785	5	40	GHBB	
CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	6517653	IKWHKXATWGVHOV-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
CCOc1ccc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1	6870516	IZSHNLHYRFGQIS-UHFFFAOYSA-N	394.269	3.958	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])O[C@@H](C)C2	7116930	QKIJDILECDDPND-NSHDSACASA-N	390.823	3.900	5	40	GHBB	
Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)ccc1[N+](=O)[O-]	24931228	RUZNCXTVKYTUMX-LJQANCHMSA-N	390.443	3.955	5	40	GHBB	
CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc12	4976632	SZYWIZJYLWWFAB-WYRIXSBYSA-N	399.476	3.686	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1	48275792	GHJFOIBUBFPEOP-LJQANCHMSA-N	379.460	3.890	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1C	2629061	KNYHSOGKFGJICP-UHFFFAOYSA-N	383.433	3.744	5	40	GHBB	
O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408646018	VITGNWCZHRHORY-LLVKDONJSA-N	393.321	3.605	5	40	GHBB	
O=[N+]([O-])c1c(NCCc2ccc(F)c(Br)c2)nc2sccn12	65521198	QIHIQHZXOMTRAO-UHFFFAOYSA-N	385.218	3.860	5	40	GHBB	
O=C(Nc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1	5843111	VPVIQYTWZNOVKT-UHFFFAOYSA-N	383.404	3.609	5	40	GHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1	822588	ABNMHKNTYXGUOX-SFHVURJKSA-N	390.395	3.844	5	40	GHBB	
COc1ccc(OC)c(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)c1	3559296	GEYICMNJMDNFBF-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4591298	WBAYNRYUMJJJSB-QGZVFWFLSA-N	390.823	3.746	5	40	GHBB	
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1[N+](=O)[O-]	5169728	STLOAAZXSYQWHE-UHFFFAOYSA-N	389.165	3.660	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1Cl	57315544	HGCQVEMMANWOSF-NEPJUHHUSA-N	377.828	3.935	5	40	GHBB	
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@@H](C)C3)c(O)n2n1	105732065	ZEIJEQYZXPMRKI-IAQYHMDHSA-N	387.465	3.534	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)o1	226768728	SWTVLIIKPYVQGL-UHFFFAOYSA-N	389.367	3.905	5	40	GHBB	
CC(C)c1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1	408564668	DMAFQDSUZJHOMP-ZZLPTCMGSA-N	391.471	3.865	5	40	GHBB	
O=[N+]([O-])c1ccc(C(O)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1	104058859	VITHLMCGSJCNMI-UHFFFAOYSA-N	395.327	3.695	5	40	GHBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cccc3ccccc13)[C@H]1CCCN12	408566846	PMPHGFYWKQPESJ-GBAAUQCPSA-N	399.450	3.894	5	40	GHBB	
O=C(Cn1c(=O)n2c3ccccc3nc2c2ccccc21)Nc1ccc(F)cc1	1616030803	FWUSOCNTZKKNBB-UHFFFAOYSA-N	386.386	3.580	5	40	GHBB	
CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc([N+](=O)[O-])c4)cc1c32	2334845	STYODDUCTUHVSR-UHFFFAOYSA-N	392.367	3.539	5	40	GHBB	
Cc1ccc2cccc(OC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2n1	4335397	JEWRZTWFEQNLJR-UHFFFAOYSA-N	376.324	3.777	5	40	GHBB	
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2)c2ccccc2)c([N+](=O)[O-])c1	5444429	CYTXYRYLSNSNEC-LJQANCHMSA-N	391.383	3.835	5	40	GHBB	
Cc1cc(NC(=O)COC(=O)c2cc3ccccc3cc2N)c([N+](=O)[O-])cc1C	5658431	CWNNOXQJTDVLLW-UHFFFAOYSA-N	393.399	3.743	5	40	GHBB	
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1	7141313	MCBVNQJTQBIJEQ-UHFFFAOYSA-N	393.494	3.922	5	40	GHBB	
C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1F	32777386	SNLJOSFNZFLQEB-SECBINFHSA-N	393.371	3.984	5	40	GHBB	
O=c1ccc([N+](=O)[O-])cn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1	12535787	PKEOLQDKMGMVFA-UHFFFAOYSA-N	394.818	3.856	5	40	GHBB	
COc1cccc2c1N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)CCC2	36391289	ZYWSBYJFYAVSQC-UHFFFAOYSA-N	391.221	3.959	5	40	GHBB	
Cc1ccc2nc([C@H]3CCCN(c4nc5ccccn5c4[N+](=O)[O-])C3)[nH]c2c1	95469171	FMGXFPZHABAFPQ-AWEZNQCLSA-N	376.420	3.811	5	40	GHBB	
COc1cc2c(cc1Br)CCNC[C@H]2c1ccc([N+](=O)[O-])cc1	616567702	VHENDZWMZOGBJT-HNNXBMFYSA-N	377.238	3.644	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1c2cccc3cccc(c23)S1(=O)=O	3426193	IKFYGBBKZNBTKU-UHFFFAOYSA-N	388.788	3.751	5	40	GHBB	
O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1	4846821	UQEWPQAFEHHKLC-UHFFFAOYSA-N	394.358	3.982	5	40	GHBB	
COc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OC	5246124	OKIREUKMRUDYLE-UHFFFAOYSA-N	384.344	3.624	5	40	GHBB	
COc1ccc(/C=C/C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1	10010616	XSLBEGOOPNADNC-VMPITWQZSA-N	385.401	3.874	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1	12548463	FODVVUKDKXIHQO-UHFFFAOYSA-N	385.401	3.891	5	40	GHBB	
COC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	12753995	GIIIVOZINAOESV-SNVBAGLBSA-N	379.752	3.759	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(COCC(F)(F)F)cc1	14182747	HXBLTJBHXVDJQQ-UHFFFAOYSA-N	384.310	3.935	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1[N+](=O)[O-]	408628752	WZPXKADCINJLPX-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccco1	6356597	GXMGNJIPTJETAZ-UHFFFAOYSA-N	387.421	3.505	5	40	GHBB	
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)c1	2028456	AGBZKYMOVOEFJT-UHFFFAOYSA-N	387.743	3.829	5	40	GHBB	
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F	29938476	FRLWRZVRPJNXRR-MRVPVSSYSA-N	376.768	3.566	5	40	GHBB	
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	4684713	FNTPBNXDISNVGH-SFHVURJKSA-N	378.388	3.797	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc(Cl)c2)CC1	4663550	OEXFSYYGDPMHKD-UHFFFAOYSA-N	380.231	3.864	5	40	GHBB	
CCc1noc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)n1	20897997	LHDGWVATEWHWFH-UHFFFAOYSA-N	379.420	3.534	5	40	GHBB	
Cc1cccc2oc3cc(NCCO)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	4182033	QYNFHTLVYCUWPY-UHFFFAOYSA-N	386.407	3.654	5	40	GHBB	
COc1ccc(OC)c(Nc2nc(Nc3cccc(C)c3)nc(N)c2[N+](=O)[O-])c1	9245025	JNJPXCSXYYSADE-UHFFFAOYSA-N	396.407	3.780	5	40	GHBB	
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2	6861747	REPIXJYNIABGIH-FNORWQNLSA-N	391.836	3.549	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1nc(-c2cccs2)no1	7949517	CYOADISOFMSHML-LBPRGKRZSA-N	386.433	3.859	5	40	GHBB	
CCOC(=O)C1(c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1	225990088	PSIURCDLPWWITK-UHFFFAOYSA-N	394.427	3.860	5	40	GHBB	
Cc1nc(N(C)c2ccc(O)cc2)c([N+](=O)[O-])c(N(C)c2ccc(O)cc2)n1	5390712	PPLAJVZPWVITNY-UHFFFAOYSA-N	381.392	3.640	5	40	GHBB	
C[C@H]1CCCC[C@H]1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7526241	SFIHPIFGKVQJAY-GXSJLCMTSA-N	376.404	3.983	5	40	GHBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Oc2ccccc2Cl)cc1	9685916	BDKVEUOJORLYAM-UHFFFAOYSA-N	399.790	3.841	5	40	GHBB	
O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1Cl	12875002	LSOUASMPBPMJAN-UHFFFAOYSA-N	377.759	3.988	5	40	GHBB	
CCOc1ccc(-c2nc(Cn3nc(C)c([N+](=O)[O-])c3C)cs2)cc1OC	14199421	LWTIXTFMGZKAKA-UHFFFAOYSA-N	388.449	3.987	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1	5602876	XCSDHVYLYWJSND-UHFFFAOYSA-N	396.468	3.727	5	40	GHBB	
Cn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21	5827433	HGGJFOKSCWJDPM-UHFFFAOYSA-N	376.825	3.866	5	40	GHBB	
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/C1=Cc2ccccc2OC1	96935634	XGJMNICADIPDBO-OVCLIPMQSA-N	382.759	3.912	5	40	GHBB	
O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1	855075	KQULXHMRAVGTHT-SFHVURJKSA-N	382.397	3.589	5	40	GHBB	
Cc1ccc(CNC(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	7777350	KUIJILIUBRKLRN-UHFFFAOYSA-N	394.383	3.636	5	40	GHBB	
COc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	20142580	QCDLLVBGJVXMEY-UHFFFAOYSA-N	399.403	3.544	5	40	GHBB	
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O	31661382	AHUCOUXARCAPAI-KRWDZBQOSA-N	393.321	3.581	5	40	GHBB	
Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1	3158521	SDPCQGWBQZKBTB-UHFFFAOYSA-N	377.312	3.765	5	40	GHBB	
CCN(C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)c1cccc(C)c1	5270810	PWXLCSQXRIVLKE-UHFFFAOYSA-N	391.427	3.780	5	40	GHBB	
Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl	7928484	HOVAHUCVWWSDOK-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	8475611	JIRXHLOQCTVTAN-UHFFFAOYSA-N	378.388	3.649	5	40	GHBB	
CNC(=O)COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1OC	40139587	GDGUZXDMJYWMSM-XBXARRHUSA-N	399.428	3.508	5	40	GHBB	
CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1	95955633	ALLLKHBZZMNHRS-UHFFFAOYSA-N	397.309	3.590	5	40	GHBB	
O=C(C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1)N1CCCC1	619527014	SFRMTBHLXPDLDB-UHFFFAOYSA-N	398.438	3.635	5	40	GHBB	
CSc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-]	3342218	LZLQMNKHNYHVJB-INIZCTEOSA-N	389.477	3.867	5	40	GHBB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c([N+](=O)[O-])c1	7721365	AYANSPOKPIPFSH-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
Cc1nc(-c2ccc(CCNC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)cs1	12620954	WJCGPTRIAUZOHH-UHFFFAOYSA-N	382.445	3.581	5	40	GHBB	
CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1I	31689105	TXTDVGMOXUZZHL-UHFFFAOYSA-N	382.201	3.831	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	69524606	HPNUWHCIULCPDA-NSHDSACASA-N	393.321	3.605	5	40	GHBB	
O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	89834936	CHOGZYWRMVUPKP-IBGZPJMESA-N	394.475	3.564	5	40	GHBB	
Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1-c1nccn1C(F)F	24983793	LLBZPDRIWZPGSE-UHFFFAOYSA-N	393.375	3.800	5	40	GHBB	
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)cc2c1	9234892	DERALQXGXOYZSP-UHFFFAOYSA-N	379.416	3.796	5	40	GHBB	
Cc1c(Cc2ccccc2)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O	5724576	TUGNJYFLZLXHIM-UHFFFAOYSA-N	395.440	3.907	5	40	GHBB	
CC(C)(C)OC(=O)n1cc(I)c2cccc([N+](=O)[O-])c21	2563802	PZXFFDNCCQKLOB-UHFFFAOYSA-N	388.161	3.937	5	40	GHBB	
O=C(N[C@@H]1C(=O)c2ccccc2N[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	9871500	KROZQXSFKXISQI-UXHICEINSA-N	387.395	3.743	5	40	GHBB	
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@@H](C)C2	15583101	JQFLXDOVHQAKJX-STQMWFEESA-N	385.420	3.756	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(O)c2c(C)csc2n1	408595454	IWEGFSDIBUCYQT-UHFFFAOYSA-N	390.446	3.653	5	40	GHBB	
Cc1cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)c(O)cc1Cl	598331641	PSANJCLDBUPJBY-GFCCVEGCSA-N	375.812	3.595	5	40	GHBB	
Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc([N+](=O)[O-])c4)C3)n2)o1	1364770	DPEMNERXBCCDGD-CQSZACIVSA-N	382.376	3.566	5	40	GHBB	
O=c1nc2n(-c3cccc(C(F)(F)F)c3)c3cc(Cl)ccc3cc-2c(=O)[nH]1	2254158	YOQRPOSJGRGMMK-UHFFFAOYSA-N	391.736	3.851	5	40	GHBB	
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1c2ccccc2C[C@H]1C	5852283	UUINLLDYCFWQFS-NEPJUHHUSA-N	388.807	3.771	5	40	GHBB	
O=[N+]([O-])c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	24835294	SXCKJGUKOBJXHE-UHFFFAOYSA-N	382.441	3.986	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)ccc1Cl	32824842	MHADJJDCZKGAPX-UHFFFAOYSA-N	388.779	3.668	5	40	GHBB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccco2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	4886841	GYTQWQDOZABPNL-WOZUAGRISA-N	387.395	3.664	5	40	GHBB	
CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7927948	VJICAWZOANESBK-INIZCTEOSA-N	381.432	3.711	5	40	GHBB	
CC(=O)Nc1cccc([C@H](C)OC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1	97096141	ARXFLLAYWXUUJS-LBPRGKRZSA-N	394.387	3.861	5	40	GHBB	
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1	4305025	SRQNPSISFSAWKP-IBGZPJMESA-N	377.400	3.722	5	40	GHBB	
O=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	5765374	NIRCECSCCPCFJK-UHFFFAOYSA-N	383.141	3.591	5	40	GHBB	
Cc1ccc(SCCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1	8243733	GVQAYDCYBJALNP-UHFFFAOYSA-N	380.853	3.844	5	40	GHBB	
O=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccccc1[N+](=O)[O-]	9426449	GBTALNHFGAYDJT-UHFFFAOYSA-N	384.417	3.710	5	40	GHBB	
CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	15544538	RTTDSYYZRMTADP-TZIYXEQSSA-N	384.388	3.577	5	40	GHBB	
COC(=O)c1ccc(O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1	22223414	CVIQEQBTBYQHKX-CSNVJCEJSA-N	387.432	3.934	5	40	GHBB	
Cc1cc(N(C)C[C@@H]2COc3ccccc3O2)nc(-c2cccc([N+](=O)[O-])c2)n1	40118728	NZHOJXRCLAHLKQ-QGZVFWFLSA-N	392.415	3.636	5	40	GHBB	
Cc1ccc(C)c(OC[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)c1C	40158404	ZDBHUKLXTFONEW-LJQANCHMSA-N	381.432	3.823	5	40	GHBB	
CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224790114	YGXXLABNDNWMJZ-UHFFFAOYSA-N	378.450	3.906	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1	7267334	KAHPOFBKKKJUNT-GFCCVEGCSA-N	377.828	3.716	5	40	GHBB	
Cc1csc(Sc2ccc(C(=O)NCc3ccncc3)cc2[N+](=O)[O-])n1	17168087	XBVXKLLHQIVZED-UHFFFAOYSA-N	386.458	3.836	5	40	GHBB	
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(Br)c3)oc12	73641794	UTQCFDDODYNLJD-UHFFFAOYSA-N	377.150	3.952	5	40	GHBB	
CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1cccnc1)=N2	5444637	KGUWPBMLQLOMCU-UHFFFAOYSA-N	387.399	3.822	5	40	GHBB	
O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1	13187363	JEBJBXYJBUIPFC-UHFFFAOYSA-N	385.159	3.617	5	40	GHBB	
COc1ccc(-c2nc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1	4274174	GNUQVWSSENJKGC-UHFFFAOYSA-N	383.429	3.699	5	40	GHBB	
CCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	4896702	SWMSYAXGGBEOPA-UHFFFAOYSA-N	398.463	3.530	5	40	GHBB	
CCc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1	5270685	OTMYMNJGCPFPRR-UHFFFAOYSA-N	377.400	3.620	5	40	GHBB	
O=C(NCCSCc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	5583981	WFYVUILTUATUGG-UHFFFAOYSA-N	395.824	3.820	5	40	GHBB	
O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc([N+](=O)[O-])c1	8310399	AJOKOFGAVISNQZ-SFHVURJKSA-N	397.431	3.532	5	40	GHBB	
CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)n1	31790795	RPUAZHYXWMKAES-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1	40068808	AVPKXEBWQQTWOG-CABCVRRESA-N	394.435	3.639	5	40	GHBB	
O=[N+]([O-])c1ccc(CSc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	68569569	GZCYEJXGEZZOCI-UHFFFAOYSA-N	380.294	3.612	5	40	GHBB	biogenic
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1	1800418	WFSWSHCIZGRWED-JOCHJYFZSA-N	396.467	3.644	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-]	3442024	STALPRFIOXAFHV-UHFFFAOYSA-N	392.795	3.669	5	40	GHBB	
COc1ccc(-c2nc(CCNC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1	4274176	XBFYHGJOSOVLMV-UHFFFAOYSA-N	383.429	3.699	5	40	GHBB	
O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1	4618937	JNARMAVHLRLXGF-QGZVFWFLSA-N	394.412	3.568	5	40	GHBB	
Cc1c(O[C@@H](C)C(=O)NCc2ccncc2)ccc2c1oc(=O)c1ccccc12	5321652	ZRASUWJTBOVMJZ-HNNXBMFYSA-N	388.423	3.733	5	40	GHBB	
COc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1	5527024	JXYCCBRRUISGOH-UHFFFAOYSA-N	375.431	3.944	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2C)n[nH]1	9426755	DEDBXXSAEHCWHS-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccccc3Cl)nc12	10010669	VAZKXTASQHEVLZ-UHFFFAOYSA-N	393.808	3.884	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)Cc1ccco1	15831772	HRVNKXATYFMSOP-UHFFFAOYSA-N	384.363	3.935	5	40	GHBB	
O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	106740440	ADWPWZMWUMQEJQ-DHDCSXOGSA-N	384.369	3.530	5	40	GHBB	
Cc1ccc(C2=N/C(=C/c3cc4c(cc3Cl)OCO4)C(=O)O2)cc1[N+](=O)[O-]	1056109	CEYUDAIGIAFLLM-YIXHJXPBSA-N	386.747	3.630	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1	4895858	BLEXXZVWXZWESJ-UHFFFAOYSA-N	383.404	3.812	5	40	GHBB	
O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-]	5018105	SASZOAXKKMTAQP-UHFFFAOYSA-N	395.853	3.826	5	40	GHBB	
C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccccc1	10377702	LRZMYTQXTSOURG-OAHLLOKOSA-N	382.416	3.626	5	40	GHBB	
COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC(F)F	12923581	IPVASDRNGCMXDJ-UHFFFAOYSA-N	384.360	3.936	5	40	GHBB	
O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	408625120	WKMZCFKESXYLDJ-UHFFFAOYSA-N	383.385	3.687	5	40	GHBB	
CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc([N+](=O)[O-])o2)cc1	6630459	XCUJCBJMBZFPAN-UHFFFAOYSA-N	395.371	3.607	5	40	GHBB	
O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1	7472833	NUXNEINOQYNEFK-UHFFFAOYSA-N	389.824	3.764	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1	10646032	REVOSNKCHLYXRK-ZDUSSCGKSA-N	375.860	3.950	5	40	GHBB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	14016965	AHZSFRWOEWUKBA-MEDUHNTESA-N	380.853	3.579	5	40	GHBB	
Cc1cccc2nc(C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cn12	6932715	NNIMCEXZETYDEL-LBPRGKRZSA-N	393.359	3.519	5	40	GHBB	
CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225092286	KZIFAUKMZYIODJ-UHFFFAOYSA-N	378.450	3.906	5	40	GHBB	
Cc1cc(C)c(-c2noc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(Cl)n1	15107922	DREOUIABMMSCGH-UHFFFAOYSA-N	375.728	3.885	5	40	GHBB	
O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc([N+](=O)[O-])o1	36646818	ZLWLILOXYYDIPG-UHFFFAOYSA-N	375.149	3.858	5	40	GHBB	
O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	4691134	LUPJWSFAWRWZMN-DHDCSXOGSA-N	384.369	3.530	5	40	GHBB	
Cc1nn(-c2cc(N3CCCC3)c(Cl)cc2[N+](=O)[O-])c(=O)c2ccccc12	6670241	BNQSTSUUJDSABM-UHFFFAOYSA-N	384.823	3.856	5	40	GHBB	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc([N+](=O)[O-])o1	12981005	MWSDISFOTWGGAU-UHFFFAOYSA-N	381.392	3.733	5	40	GHBB	
COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1	17587252	JIPHVZBDPLWJLW-HNNXBMFYSA-N	376.796	3.591	5	40	GHBB	
Cc1ccc([C@@H](NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C2CC2)cc1	24869609	ZVFKKCPPWXMVMO-MHNQQFQPSA-N	380.400	3.913	5	40	GHBB	
CCOC(=O)c1cc(C(=O)N(Cc2ccc(C)cc2)C2CC2)cc([N+](=O)[O-])c1	25292912	GCRJYXMRWRIWGJ-UHFFFAOYSA-N	382.416	3.885	5	40	GHBB	
COc1cc(CNC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC	58440409	IAPONCHHDBZGNP-LJQANCHMSA-N	385.464	3.539	5	40	GHBB	
Cc1ccc(C2=N[C@H](c3ccc([N+](=O)[O-])cc3)SC(N3CCOCC3)=N2)cc1	2705624	QERWZHLOSGHSRK-IBGZPJMESA-N	396.472	3.784	5	40	GHBB	
Cc1ccc2cc(CCNC(=S)Nc3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1C	4225438	HBPHSGIGYXWMSI-UHFFFAOYSA-N	396.472	3.582	5	40	GHBB	
CCN(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc2ccccc12	4869445	MWEKYTVDNIEERI-UHFFFAOYSA-N	393.399	3.540	5	40	GHBB	
CCc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	8209180	JFIWALYZSPJZFE-UHFFFAOYSA-N	384.417	3.938	5	40	GHBB	
Cc1ccc(C)c(OC[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)c1C	40158405	ZDBHUKLXTFONEW-IBGZPJMESA-N	381.432	3.823	5	40	GHBB	
NC(=O)NC1CCC(C(=O)OCc2nc3ccccc3c3ccccc23)CC1	64095898	YFTAAHJROYMZOL-UHFFFAOYSA-N	377.444	3.658	5	40	GHBB	
Cc1ccc(NC(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1Cl	89643347	VKSGOADXRCHQTJ-UHFFFAOYSA-N	388.855	3.906	5	40	GHBB	
O=C(Cc1noc2ccccc12)Nc1ccc([N+](=O)[O-])c(Br)c1	89872943	HNWILGJFLWHGHR-UHFFFAOYSA-N	376.166	3.680	5	40	GHBB	
C[N@+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCC[C@H](c2ccccn2)C1	247643598	IZDFKXJEEICTNW-FKLSHETPSA-N	387.612	3.831	5	40	GHBB	biogenic,in-vitro
CCCOc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1Br	409339307	HBTDPOALMWXSLT-GQCTYLIASA-N	396.197	3.518	5	40	GHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1	3322771	UFZTVYQXNUDHHJ-UHFFFAOYSA-N	383.278	3.837	5	40	GHBB	
CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)c1	5841626	HWLOWARKTSQMAU-UHFFFAOYSA-N	391.811	3.860	5	40	GHBB	
O=[N+]([O-])c1ccc2s/c(=N/c3ccc(Br)cc3)nc(O)c2c1	9380093	LHBSPTJKFVAZFI-UHFFFAOYSA-N	378.207	3.905	5	40	GHBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])N1N=C(c2ccco2)C[C@@H]1c1ccco1	9595495	MZPWRBQTSNWTTR-OAHLLOKOSA-N	399.334	3.677	5	40	GHBB	
C[N+]1(CCF)[C@@H]2CC[C@@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	100014625	OATDVDIMNNZTEY-FYEFOYSGSA-N	398.498	3.575	5	40	GHBB	
O=Cc1ccc(Sc2nnc(COc3ccccc3F)o2)c([N+](=O)[O-])c1	409385955	OWZPPZDRFSHJPR-UHFFFAOYSA-N	375.337	3.660	5	40	GHBB	
O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	1370470	IIHOTYGXGVPLEN-NHCUHLMSSA-N	379.460	3.910	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)c1C	12880422	KIYMLTCWYOQTNM-UHFFFAOYSA-N	378.425	3.704	5	40	GHBB	
COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)C	96634988	VFVRQGVWURTGPA-CXUHLZMHSA-N	382.372	3.735	5	40	GHBB	
COc1ccc(F)cc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1	40111337	LOSCYLMWKRDCRW-UHFFFAOYSA-N	388.380	3.822	5	40	GHBB	
CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(C)c1	223906738	AVXUGGXFRAEAHD-INIZCTEOSA-N	378.450	3.650	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(I)c1	5684504	QGPQMXPZTPQCBN-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1	20154367	VAWVVLKNLHVBKB-BJMVGYQFSA-N	394.475	3.780	5	40	GHBB	
COC(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1	24452553	OJTVYOTVNBZSNB-NSHDSACASA-N	376.796	3.868	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c1	1728168	HWSODBLPHNBIID-CQSZACIVSA-N	388.815	3.699	5	40	GHBB	in-vitro
COc1cc([N+](=O)[O-])ccc1NC(=O)/C(Br)=C/c1ccccc1	4387958	USLSAMSHXZGTKZ-LCYFTJDESA-N	377.194	3.978	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1	9063599	WSTPFEPXWFQDFD-UHFFFAOYSA-N	387.411	3.593	5	40	GHBB	
COc1ccc(Cn2c(CO)cnc2SCc2cccc([N+](=O)[O-])c2)cc1	10336473	BIAOJFQPBREQDH-UHFFFAOYSA-N	385.445	3.633	5	40	GHBB	
O=C(Nc1nc(CN2CCCCC2)nc2ccccc12)c1cccc([N+](=O)[O-])c1	11183086	DVQSDBBKYNUQGE-UHFFFAOYSA-N	391.431	3.776	5	40	GHBB	
O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	59960903	STWJFMZUAKKZTL-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	218053750	AHKFGCRPGXYNJL-UHFFFAOYSA-N	398.444	3.537	5	40	GHBB	
Cc1cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)C2)c(O)cc1Cl	598331646	PSANJCLDBUPJBY-LBPRGKRZSA-N	375.812	3.595	5	40	GHBB	
Cc1c(Nc2nc3ccc([N+](=O)[O-])cc3s2)c(=O)n(-c2ccccc2)n1C	59461257	DSIDDSYJPTWWGL-UHFFFAOYSA-N	381.417	3.746	5	40	GHBB	
COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1	58133056	YMIYQAPEEOHDOH-CQSZACIVSA-N	380.404	3.622	5	40	GHBB	
CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccn2c1[N+](=O)[O-]	58304130	SIQPWPMTGXQEMC-UHFFFAOYSA-N	394.218	3.624	5	40	GHBB	
O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cc(Cl)nc2ccccc12	95945763	KFRSCWAQVMMANE-UHFFFAOYSA-N	394.612	3.769	5	40	GHBB	
CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	40119968	NUPHPCULXZFQSD-UHFFFAOYSA-N	382.848	3.503	5	40	GHBB	
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	32910381	GDSJIAGCOYUIIK-UHFFFAOYSA-N	387.395	3.590	5	40	GHBB	
CCc1ccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	26943090	POFUIYFOHRBYKG-CRAIPNDOSA-N	395.459	3.730	5	40	GHBB	
COc1ccc(-c2nc(CCNC(=O)c3ccccc3[N+](=O)[O-])cs2)cc1	27993597	XFAUDANMKOWMDA-UHFFFAOYSA-N	383.429	3.699	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCc2ccccc2F)cc1	409322915	LYMCWPKNFXMBSO-YFHOEESVSA-N	383.335	3.685	5	40	GHBB	
COc1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc(OC)c1O	96222468	VVPCPMPCXPZZIZ-UHFFFAOYSA-N	377.356	3.953	5	40	GHBB	biogenic
COC[C@@H](C)N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	3284542	XEGRIMOWSHYSAU-PXAZEXFGSA-N	377.828	3.553	5	40	GHBB	
COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1	4252191	BRYNGMIRMRNHLJ-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
COc1ccc(-c2nnc(SC(=O)c3cccc([N+](=O)[O-])c3)o2)c(OC)c1	7939510	LNVUHXVOVIBDEM-UHFFFAOYSA-N	387.373	3.595	5	40	GHBB	
O=C(C1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)N1CCCCCC1	12557554	DDVWPAZQNKYVGP-UHFFFAOYSA-N	382.464	3.762	5	40	GHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NC(c2ccccc2)c2ccccc2)c1	20487567	WIJUYYURWIWMPD-UHFFFAOYSA-N	382.441	3.804	5	40	GHBB	
O=C(NCc1cccc(NC(=O)N2CCCC2)c1)Nc1cccc([N+](=O)[O-])c1	40155891	RVHVEIHPPIJCJJ-UHFFFAOYSA-N	383.408	3.544	5	40	GHBB	
COC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1	97165912	RIDPWZATCIQOJX-UHFFFAOYSA-N	390.370	3.859	5	40	GHBB	
COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1	2308239	IVWMHIPJZIUIRY-UHFFFAOYSA-N	399.454	3.629	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c2ccccc2n1	5357655	INLWJNKLDRCLJK-UHFFFAOYSA-N	393.399	3.864	5	40	GHBB	
COc1ccc(C(C)(C)C)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	6507871	TXGYHHZDTLIAFB-UHFFFAOYSA-N	387.436	3.960	5	40	GHBB	
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-]	8132032	NJCZHVYROZBURD-UHFFFAOYSA-N	387.395	3.590	5	40	GHBB	
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O	36848266	FZBCLRZAODHAQZ-QGZVFWFLSA-N	393.321	3.581	5	40	GHBB	
O=C(Nc1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	59487362	DXLSEMQDERWIFF-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)c([N+](=O)[O-])c1	217874411	NEYWFEZSXUAVMJ-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
CC1=C(C(N)=O)[C@H](c2ccccc2)N2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1	408985776	AWEATDDCJSWPAZ-SFHVURJKSA-N	392.440	3.812	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1	4321373	XVJUGBZAAARAKZ-UHFFFAOYSA-N	383.433	3.523	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc(Cl)cc1	12510692	JIBRJJLLLBFCLL-IBGZPJMESA-N	397.818	3.928	5	40	GHBB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1	16385677	IZMPRHGGCWQKJU-WDZFZDKYSA-N	378.138	3.638	5	40	GHBB	
COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc([N+](=O)[O-])c1O	36290102	FEIIWYXWRISMCA-WUXMJOGZSA-N	399.428	3.642	5	40	GHBB	
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	95948646	DTRDFERNWDGYEM-UHFFFAOYSA-N	397.309	3.731	5	40	GHBB	
O=c1c2c3nc4ccccc4nc3n(C[C@@H]3CCCO3)c2ncn1C1CCCC1	2252644	NMZYWZFWIKNVLM-HNNXBMFYSA-N	389.459	3.589	5	40	GHBB	
O=C(Nc1ccccc1OC(F)F)c1ccccc1Cn1cc([N+](=O)[O-])cn1	2796379	HXGUCHKVHMWDAJ-UHFFFAOYSA-N	388.330	3.693	5	40	GHBB	
Cc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1	3158527	PEWWCHXFEKRMFL-UHFFFAOYSA-N	377.312	3.765	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	42145787	FTHMIWBXOONQSS-DYVFJYSZSA-N	399.447	3.923	5	40	GHBB	
CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(C)c1	223843809	OACXUJHBAAVUQX-INIZCTEOSA-N	388.420	3.567	5	40	GHBB	
CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1	408748412	AEJRNFBDEMVERT-UHFFFAOYSA-N	389.414	3.877	5	40	GHBB	
Cc1cccc(COc2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c1	409338598	MTFPCONJVRSABU-YFHOEESVSA-N	379.372	3.854	5	40	GHBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1cccc2ccccc12	2512873	SCDUCSSBPVTYAP-UHFFFAOYSA-N	376.821	3.880	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NCc1ccco1	2664325	AXVDJVFLTYWVRF-ZHACJKMWSA-N	391.383	3.770	5	40	GHBB	
COc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1	12756402	KHGOCPVHSIZYFF-IBGZPJMESA-N	384.436	3.562	5	40	GHBB	
O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1	32853571	VRUXCQUGZMPYGX-HNNXBMFYSA-N	376.416	3.998	5	40	GHBB	
CC(C)(C)c1ccc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	73642427	JDRVMHWZEMYSJL-UHFFFAOYSA-N	381.432	3.737	5	40	GHBB	
CCOC(=O)c1ccnc(NCc2ccnc(Oc3ccccc3)c2)c1[N+](=O)[O-]	609964597	LNYXBNNIFZPYFG-UHFFFAOYSA-N	394.387	3.966	5	40	GHBB	
O=C(NC1(C(F)(F)F)Oc2ccccc2O1)c1ccc([N+](=O)[O-])c(Cl)c1	3177403	PWSOICABCCERSY-UHFFFAOYSA-N	388.685	3.666	5	40	GHBB	
O=C(COC(=O)c1ccc2ncsc2c1)Nc1cc([N+](=O)[O-])ccc1Cl	3479623	BNCQRIXHPWBMPD-UHFFFAOYSA-N	391.792	3.653	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)c1	5137248	XDKGFGMSYDRJSO-UHFFFAOYSA-N	391.778	3.692	5	40	GHBB	
CC(C)n1ncc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cnc21	13002250	SELSOVNBXSRTNY-UHFFFAOYSA-N	387.827	3.846	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2	15179495	NGEFJZOASQHCKU-LBPRGKRZSA-N	385.445	3.862	5	40	GHBB	
O=[N+]([O-])c1ccc(/C=C(/c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1	17106446	STDKPKUCUGOEAT-UVTDQMKNSA-N	390.329	3.661	5	40	GHBB	
COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OCc1cccnc1	32832140	PVQRSOUNUQIALY-UHFFFAOYSA-N	379.372	3.830	5	40	GHBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1	39758257	WNKKOGLGDAMOEJ-UHFFFAOYSA-N	389.165	3.660	5	40	GHBB	
COc1ccccc1NC(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	408529914	HXISRMKDPKYUKE-MDZDMXLPSA-N	376.372	3.712	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1ccc(OC(C)C)cc1	10543371	HHWRCMTWSCOLCC-UHFFFAOYSA-N	392.477	3.602	5	40	GHBB	
O=c1[nH]c(/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc(O)c1[N+](=O)[O-]	9234768	YKRRCSOQGXOKKP-RMKNXTFCSA-N	399.790	3.787	5	40	GHBB	
C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2s1	84640127	JHRZIJDAALGWHQ-NSHDSACASA-N	391.474	3.824	5	40	GHBB	
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc([N+](=O)[O-])ccc1Cl	60390811	IAJOICILWYZILZ-UHFFFAOYSA-N	378.175	3.735	5	40	GHBB	
COc1cc(/C=C/C(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F	12989309	WIAXGHGIKWLBIQ-GKUNOOHESA-N	384.379	3.723	5	40	GHBB	
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1C	13002545	BCHIEVIPESCHMJ-UHFFFAOYSA-N	381.436	3.681	5	40	GHBB	
C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1	4975852	WDAWFYYUNMBQLS-VIFPVBQESA-N	383.173	3.902	5	40	GHBB	
S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CCCCC1	408997517	GXQKZKABJCABJJ-UHFFFAOYSA-N	380.473	3.737	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(C(=O)Nc2ccccc2)c1	32930250	CHSVQJZNBCYGAU-UHFFFAOYSA-N	389.411	3.706	5	40	GHBB	
CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225006536	WHRVUJKMKDCFLX-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
O=C(c1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1cnn(-c2ccccc2)c1Cl	98086733	DXKYTEFEPXSBCF-UHFFFAOYSA-N	395.762	3.715	5	40	GHBB	
O=c1oc2ccccc2c(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-]	5027141	BSKWFHNTZTVKQA-UHFFFAOYSA-N	379.416	3.778	5	40	GHBB	
O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	6863028	DWHXEQUOOOOIKW-UHFFFAOYSA-N	387.823	3.739	5	40	GHBB	
COc1cccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	25020694	RLPJMUZFFWHNNM-UHFFFAOYSA-N	398.415	3.633	5	40	GHBB	
CC(C)(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCCC1	26241636	MMMZVQJPKHEECO-UHFFFAOYSA-N	391.515	3.535	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1	45937999	HHCMNPMBXXCGPK-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
CCOC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCC2	2236288	ICMXVCXYRWKQDE-UHFFFAOYSA-N	388.445	3.893	5	40	GHBB	
CSc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	3567425	FBAPWTSPDNPNKI-UHFFFAOYSA-N	380.809	3.766	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1C1CCCCC1	4977140	FBIFPUDWSYBGMN-UHFFFAOYSA-N	389.481	3.985	5	40	GHBB	
COc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1OC	5169366	KXVJEEBUWCBUQX-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC1CC1	6624414	GBRXUKRUAQKTDX-ZDUSSCGKSA-N	397.434	3.638	5	40	GHBB	biogenic
Cc1nc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(Cl)cc1	12856166	JLSHDPLQLYVLOT-GFCCVEGCSA-N	399.838	3.971	5	40	GHBB	
COCCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC	24936383	ASMUYZANJKXYIU-UHFFFAOYSA-N	380.784	3.534	5	40	GHBB	
O=C(OC1C[C@@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1	100018594	OYYDSUSKLWTMMQ-VXKWHMMOSA-N	392.519	3.770	5	40	GHBB	fda
Cc1cc(-c2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)o2)c([N+](=O)[O-])cc1C	409338261	GUUNRUAKVABYLJ-GQCTYLIASA-N	398.331	3.751	5	40	GHBB	
CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21	1874864	HLJYCROAGBCUKZ-UHFFFAOYSA-N	377.404	3.981	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	7814505	MNEHTLGOLWFVLY-MRVPVSSYSA-N	398.202	3.668	5	40	GHBB	
COc1cc(/C=C/C(=O)N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F	12989319	WIAXGHGIKWLBIQ-AHWSKYQCSA-N	384.379	3.723	5	40	GHBB	
Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1Cl	23153074	OMKQDIGSOJROKT-UHFFFAOYSA-N	376.583	3.889	5	40	GHBB	
CC(C)N(C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C	40152828	RWZVNRQDEGZZMW-HNNXBMFYSA-N	378.473	3.852	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	42145788	FTHMIWBXOONQSS-CXAGYDPISA-N	399.447	3.923	5	40	GHBB	
O=[N+]([O-])c1cccnc1N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1	43272407	COBFDWPGRODKQQ-UHFFFAOYSA-N	399.451	3.575	5	40	GHBB	
CCc1ccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1	48326099	WWKFKCCVPUUOQY-IBGZPJMESA-N	376.478	3.974	5	40	GHBB	
CN1CCC(Nc2ccccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1	58315165	KCKXBZSFWQFVHT-UHFFFAOYSA-N	397.479	3.542	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](N2CCc3ccccc3C2)C1	408611442	SEKCVRPVERJDMI-KRWDZBQOSA-N	385.851	3.521	5	40	GHBB	
COc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@H]2C	4193175	DXUIUDVROAUKBA-AHYKXKOGSA-N	385.445	3.784	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1	4682203	STPBTOAWADIANB-UHFFFAOYSA-N	389.411	3.706	5	40	GHBB	
CCOP(=O)(CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)OCC	5334431	BWBXEWHJSGXRGR-UHFFFAOYSA-N	384.247	3.818	5	40	GHBB	
CN(C(=O)CN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1	10225489	QFQBIYITNJUAPM-UHFFFAOYSA-N	392.459	3.919	5	40	GHBB	
Cc1cccc(C(=O)OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-]	13159768	ALGQGKONIPIBKE-SFHVURJKSA-N	384.432	3.964	5	40	GHBB	
COC[C@H](C)N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	3284540	XEGRIMOWSHYSAU-SJCJKPOMSA-N	377.828	3.553	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Br)cc1	5570684	NOKOCOHTOYWRRP-UHFFFAOYSA-N	394.250	3.793	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)O[C@@H](C)C2	10346538	QTRRTWWOBWLZMW-ZDUSSCGKSA-N	386.404	3.643	5	40	GHBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)Cc1ccccc1N1CCCCC1	12561857	GHNGEHHTIZDSBH-UHFFFAOYSA-N	396.491	3.964	5	40	GHBB	
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1	13778918	WNTPUKZCQZBCKU-UHFFFAOYSA-N	379.416	3.797	5	40	GHBB	
CC(C)N(C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C	40152827	RWZVNRQDEGZZMW-OAHLLOKOSA-N	378.473	3.852	5	40	GHBB	
CCOCCn1/c(=N/C(=O)CCc2ccccc2)sc2cc([N+](=O)[O-])ccc21	100873556	WLYKXXKJAUUHQH-MRCUWXFGSA-N	399.472	3.708	5	40	GHBB	
CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])o1	102943107	FYPJEIHWGLUUJM-MRXNPFEDSA-N	380.356	3.894	5	40	GHBB	
C[N@+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)CCC[C@H](c2ccccn2)C1	247643609	IZDFKXJEEICTNW-NDBMIPMSSA-N	387.612	3.831	5	40	GHBB	biogenic,in-vitro
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1	4902601	MSTZMSASFTYSGZ-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1	7721349	SYEVQEAJHGDDKG-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1cccc([N+](=O)[O-])c1	58245226	CVAKQYMJCZIGKB-UHFFFAOYSA-N	383.360	3.839	5	40	GHBB	
COc1ccc(N(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1	27795701	ATCRNQAELDNULE-UHFFFAOYSA-N	382.372	3.809	5	40	GHBB	
C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1	4895860	NUIZDECRIGAJHW-ZDUSSCGKSA-N	383.404	3.812	5	40	GHBB	
Cc1c(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-]	5972933	XQUOJWLMQDJOQU-BUBBNXEVSA-N	386.448	3.534	5	40	GHBB	
C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccc1	663381	MJKOLGBEMYKTIL-JTQLQIEISA-N	396.184	3.690	5	40	GHBB	
O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	1415060	ZAJDYERQZDOKBC-UHFFFAOYSA-N	379.397	3.557	5	40	GHBB	
O=[N+]([O-])c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1	1565715	STDKPKUCUGOEAT-GXDHUFHOSA-N	390.329	3.661	5	40	GHBB	
O=C(c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1)N1CCCCCC1	4619903	XIVZHTYYVLWOSF-UHFFFAOYSA-N	378.322	3.890	5	40	GHBB	
O=c1c2ccccc2c(=O)c2c1c(N1CCOCC1)cc1oc3ccccc3[nH]c12	4811987	JOUXYGVHBQVQHM-UHFFFAOYSA-N	398.418	3.778	5	40	GHBB	
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cc1[N+](=O)[O-]	4891218	CXXAAZBFDNGQBF-LLVKDONJSA-N	399.432	3.513	5	40	GHBB	
CCCCCN(CCCCC)C[C@@H](C)NC(=O)CCn1ncc([N+](=O)[O-])c1C	6398409	GREXOXBZAZJLPC-QGZVFWFLSA-N	395.548	3.677	5	40	GHBB	
C[C@H](NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	8209449	MCASWLYGSHTLDA-LBPRGKRZSA-N	384.417	3.614	5	40	GHBB	
C[C@@H]1CCc2c(sc3nc(O)n4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1	32682167	HPTFRGKMTFTTFZ-SECBINFHSA-N	381.417	3.745	5	40	GHBB	
COc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-]	219830208	UGBOYZVBJXRUKG-UHFFFAOYSA-N	386.448	3.855	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(/C=C/c2ccc(OCc3ccc(F)cc3)cc2)nc1O	409347381	PUTUDPATCBTDOV-BJMVGYQFSA-N	383.335	3.685	5	40	GHBB	
O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	4176238	MKSLVEWHAVAQET-UHFFFAOYSA-N	396.428	3.545	5	40	GHBB	
CCNc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-]	4703597	UGTLATDPEQJXGB-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(F)cc1[N+](=O)[O-]	5111291	HKASFBZZACLVHB-UHFFFAOYSA-N	386.257	3.548	5	40	GHBB	
COc1ccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)nn1	5259522	FAMXQQVPAWRAON-UHFFFAOYSA-N	384.779	3.966	5	40	GHBB	
O=C1OC(c2cccs2)=N/C1=C\c1ccc([N+](=O)[O-])c(Br)c1	5442795	PXIITSYGNNHFTN-YFHOEESVSA-N	379.191	3.763	5	40	GHBB	
CCN(CC)CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21	10653085	FYEFNNJKKZKDRB-UHFFFAOYSA-N	381.436	3.539	5	40	GHBB	
Cc1ccc(-c2noc(CN(C(=O)Cc3ccccc3[N+](=O)[O-])C(C)C)n2)cc1	12653980	JBVWTRXLXYXGFN-UHFFFAOYSA-N	394.431	3.933	5	40	GHBB	
Cc1cc(C)n(Cc2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)n1	17081673	OBARFQIIHLNAAJ-UHFFFAOYSA-N	399.430	3.995	5	40	GHBB	
O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H](c3nc4ccccc4o3)C2)c1	47996058	ODKKPJCARWDCLF-AWEZNQCLSA-N	377.404	3.923	5	40	GHBB	
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)c1O	211512113	COXAUFWCRMGKNT-VGOFMYFVSA-N	388.357	3.668	5	40	GHBB	
Cc1cc(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)cc([N+](=O)[O-])c1C	409309827	MXCWRHGBNJVHDD-HYXAFXHYSA-N	398.331	3.751	5	40	GHBB	
COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)cc1C)[N+](C)(C)CC3)OCO2	1280013	SCKGIUIRENIDOM-SFHVURJKSA-N	382.480	3.987	5	40	GHBB	biogenic
Cc1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1-c1ccccc1	6109118	AEFKPNQGVDTNCU-UHFFFAOYSA-N	394.416	3.826	5	40	GHBB	
O=C(NCc1ccccn1)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1	12969562	TZHUEAIGLANOIL-UHFFFAOYSA-N	387.779	3.745	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc(Cl)c1Cl	20611706	CUSDGAUOUXAFMF-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COCCNc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1[N+](=O)[O-]	21708079	QXRUDOUHVQIPFN-UHFFFAOYSA-N	395.818	3.718	5	40	GHBB	
O=C(Nc1ccc2cn[nH]c2c1)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1	96361335	IUCVMPASHPOTGN-UHFFFAOYSA-N	388.387	3.731	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	103718739	TTWAYVWXVRAILT-LLVKDONJSA-N	393.321	3.605	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-]	6316449	ZHEBHKZYXUKMBV-UHFFFAOYSA-N	389.202	3.606	5	40	GHBB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1	408786678	UQIQUTQDEAUAAH-XGHXRCDJSA-N	385.445	3.765	5	40	GHBB	
Cc1csc(Nc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1	48312124	RTTJEOVWLVKICO-UHFFFAOYSA-N	390.446	3.904	5	40	GHBB	
Cc1ccc(F)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2	101487227	POLUWGNLEJLPFT-NILVNCKXSA-N	399.426	3.568	5	40	GHBB	
O=C(O)[C@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1cccc([N+](=O)[O-])c1	4177952	VTTWMSWWFLOKML-ZBFHGGJFSA-N	392.820	3.589	5	40	GHBB	
Cc1c(O[C@H](C)C(=O)NCc2ccccn2)ccc2c1oc(=O)c1ccccc12	5270520	BRTCLAOWBUGKKZ-OAHLLOKOSA-N	388.423	3.733	5	40	GHBB	
COc1cc(NC(=O)CSc2nc3ccccc3n2C)c(C)cc1[N+](=O)[O-]	5827399	LFRBOSRHXMZDBI-UHFFFAOYSA-N	386.433	3.529	5	40	GHBB	
Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	12996886	MNVLWEAWPOAYFO-UHFFFAOYSA-N	399.491	3.955	5	40	GHBB	
Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1[N+](=O)[O-]	13955143	ZVILPVRRIHBHEF-UHFFFAOYSA-N	382.401	3.864	5	40	GHBB	
C[C@H]1CCc2c(sc3ncnc(NC[C@@H](O)c4ccc([N+](=O)[O-])cc4)c23)C1	15207078	GKUKSFINLCZFRC-XHDPSFHLSA-N	384.461	3.870	5	40	GHBB	
CCNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	15538772	QBPKUARBEJFZRJ-KRWDZBQOSA-N	397.431	3.775	5	40	GHBB	
O=C1NC(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)S1	16399638	RPNVRKFDKAKHES-VGOFMYFVSA-N	387.329	3.619	5	40	GHBB	
O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1ccccc1Cl)N1CCOCC1	58358182	XQDDSXCTRRCMET-KRWDZBQOSA-N	379.819	3.873	5	40	GHBB	
Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	408628520	UJXYQBXZLYKBMR-UHFFFAOYSA-N	398.488	3.939	5	40	GHBB	
COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cn2)c1	408678446	ZESOXTKEDTXJLG-UHFFFAOYSA-N	379.372	3.972	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccccc1SC(F)F	8994016	COLQMRMLTJMPRW-UHFFFAOYSA-N	384.360	3.936	5	40	GHBB	
CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC	6870215	LWPJZRCWRXXPRL-UHFFFAOYSA-N	379.844	3.857	5	40	GHBB	
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	12568654	ZNCTYCBZAQJFDZ-OAQYLSRUSA-N	375.384	3.715	5	40	GHBB	
C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	3441643	NYCSQCJVRRWVKT-SECBINFHSA-N	394.836	3.982	5	40	GHBB	
Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2[N+](=O)[O-])cc1	408562614	QYBSRSYPHKTAHK-UHFFFAOYSA-N	393.399	3.773	5	40	GHBB	
Cc1ccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	30755261	MXQILFGQQNBSEO-FQEVSTJZSA-N	382.441	3.971	5	40	GHBB	
CCn1c2c(s/c1=N\C(=O)c1ccccc1[N+](=O)[O-])CCc1ccccc1-2	408563720	WWRQAGWNKSNIFH-MRCUWXFGSA-N	379.441	3.984	5	40	GHBB	
Cn1c(-c2ccco2)nn(CN2CCSc3ccc([N+](=O)[O-])cc32)c1=S	40155491	UYVYCPIFPZYQBV-UHFFFAOYSA-N	389.462	3.689	5	40	GHBB	
COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-]	12614492	AINFCSRAMIFASK-UHFFFAOYSA-N	383.429	3.965	5	40	GHBB	
CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	4676286	SXZKUNJAJNRLRK-UHFFFAOYSA-N	397.475	3.620	5	40	GHBB	
C[N+](C)(Cc1ccccc1)C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2	226072437	VTYMBFORVLRGBA-XCBYWJNASA-N	388.572	3.626	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(Cl)cc1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	16667229	PHKWVJPIKZNDLE-SECBINFHSA-N	388.767	3.798	5	40	GHBB	
O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4901086	XIBVSWWCNGQDKL-UHFFFAOYSA-N	379.338	3.576	5	40	GHBB	
CCc1ccccc1N(C(C)=O)c1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1	31672061	SSWVZWUSKLBMER-UHFFFAOYSA-N	398.444	3.508	5	40	GHBB	
COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc([N+](=O)[O-])c1O	6580255	PVWJUJTUPBQIEB-IZZDOVSWSA-N	386.385	3.934	5	40	GHBB	
CC[C@@H](NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2	8326959	BTSDQLJBUPOTDR-SFIVQVFOSA-N	394.903	3.946	5	40	GHBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1	8425984	QOWUQGKQDSJSCU-UHFFFAOYSA-N	390.402	3.844	5	40	GHBB	
C[C@@H](Sc1nnc(-c2ccco2)n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	9514869	GGRQSNQHXMACSN-SNVBAGLBSA-N	398.404	3.887	5	40	GHBB	
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2cccc([N+](=O)[O-])c2)cc1	17138731	AGMYGHPGKGWLBH-QFIPXVFZSA-N	396.467	3.644	5	40	GHBB	
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])o1	21580517	ZRURFVKDMPUTJW-UHFFFAOYSA-N	378.344	3.992	5	40	GHBB	
CCC1(CC)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1	224683963	RDZKNEMSYHCOIR-KRWDZBQOSA-N	390.461	3.956	5	40	GHBB	
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1	2247669	HGZJCBSLONWDJI-UHFFFAOYSA-N	383.455	3.999	5	40	GHBB	
COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1	4369047	FINFTEGQHICREQ-IZZDOVSWSA-N	398.415	3.922	5	40	GHBB	
O=C(Cn1sc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1C(F)(F)F	4751505	APIVLQDSUDAFJT-UHFFFAOYSA-N	397.334	3.629	5	40	GHBB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-]	7928129	BGIBLWSAZPDUKZ-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1	9691141	KNZMPPOUCCAZIY-INIZCTEOSA-N	397.456	3.776	5	40	GHBB	
CCn1nnc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc21	12933524	IQRREMAYAMRTDV-UHFFFAOYSA-N	394.416	3.735	5	40	GHBB	
Nc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[N+](=O)[O-]	25089592	CMHWQSHZIQPJHD-UHFFFAOYSA-N	390.237	3.744	5	40	GHBB	
COc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1OC	27664554	MYLBRMDSKMZUNU-UHFFFAOYSA-N	393.399	3.854	5	40	GHBB	
O=C(OC1C[C@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1	100018598	OYYDSUSKLWTMMQ-FGZHOGPDSA-N	392.519	3.770	5	40	GHBB	fda
Cc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	409310612	BKTGPORRFOBLDQ-LICLKQGHSA-N	382.397	3.822	5	40	GHBB	
O=C(Oc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3128844	HQCYAWHTWHKZML-UHFFFAOYSA-N	390.307	3.934	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])CC1	4868140	ZZCCRPWAWNJPJW-UHFFFAOYSA-N	387.465	3.812	5	40	GHBB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1	7610242	KASMUAQXAWGDCE-UHFFFAOYSA-N	398.400	3.578	5	40	GHBB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1	25370067	MKMCMOBPQIKWTI-UHFFFAOYSA-N	399.428	3.916	5	40	GHBB	
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1	29525806	BZRNZTPSXSAFDG-UHFFFAOYSA-N	395.459	3.883	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCc1ccc(OC)c(OC)c1Br	48374138	JOJQFBIGZZANRS-UHFFFAOYSA-N	398.209	3.962	5	40	GHBB	
COc1ccc2nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	2624663	CLPKZGSXPOZSFF-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
COc1ccc(-c2nnc3sc(/C=C/c4ccc([N+](=O)[O-])cc4)nn23)cc1	5348398	UZGAZWZTZKXJJW-NYYWCZLTSA-N	379.401	3.940	5	40	GHBB	
COC(=O)c1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cc([N+](=O)[O-])c1	16722141	LXCZTCPXPQRYHB-UHFFFAOYSA-N	390.421	3.533	5	40	GHBB	
O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	7842755	AHMYLDHKOWRIRW-QFIPXVFZSA-N	390.439	3.967	5	40	GHBB	
O=[N+]([O-])c1c(F)cccc1N1CCN(CCOc2ccccc2Cl)CC1	58406793	CZPQLYYBKQAPQP-UHFFFAOYSA-N	379.819	3.588	5	40	GHBB	
CCn1cc([N+](=O)[O-])c(C(=O)n2nc(C)c(C34CC5CC(CC(C5)C3)C4)c2C)n1	6490205	VSPKMRAEEXWCLE-UHFFFAOYSA-N	397.479	3.781	5	40	GHBB	
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl	4525300	GVPDYQKKGGDSGX-UHFFFAOYSA-N	384.244	3.957	5	40	GHBB	
C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	6763191	CDLBTZPGWQCZSU-NSHDSACASA-N	399.790	3.980	5	40	GHBB	
COc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-]	5785662	KPBRUQVVGZWXMK-QIIPPGSGSA-N	393.436	3.764	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2c(C)cccc12	4580906	LXTJBPRDFWLNHO-UHFFFAOYSA-N	387.461	3.522	5	40	GHBB	
O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1	5829165	WCKLDSPQUFHICZ-UHFFFAOYSA-N	387.446	3.921	5	40	GHBB	
CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1	6270817	JTPMQIRCRXDMAX-UHFFFAOYSA-N	388.361	3.764	5	40	GHBB	
CCOC(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)cc([N+](=O)[O-])c1	7121118	CNTPDBSRXXITPT-MRXNPFEDSA-N	376.434	3.960	5	40	GHBB	
Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	10243620	IMHPAAONCIJLQX-CYBMUJFWSA-N	383.433	3.603	5	40	GHBB	
Cc1cc(C)c(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c(Cl)c1	73642503	YQPNNOGTRSUGTP-UHFFFAOYSA-N	387.823	3.710	5	40	GHBB	
CC(C)(COc1nonc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018572	JAWVEGCYKGJQRC-UHFFFAOYSA-N	399.363	3.823	5	40	GHBB	
O=[N+]([O-])c1ccc([C@H](O)CNc2nc(C(F)(F)F)nc3ccccc23)cc1	9605037	NZACQNDOAHRGCM-CQSZACIVSA-N	378.310	3.702	5	40	GHBB	
COc1cccc2s/c(=N/C(=O)c3cc(Cl)ccc3[N+](=O)[O-])n(C)c12	11853038	XZFIWLVSDXUFIF-FBMGVBCBSA-N	377.809	3.551	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C	14200453	OHGIPXUAQQVVAM-UHFFFAOYSA-N	381.436	3.681	5	40	GHBB	
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(COc2ccccc2F)n1	408580649	DMPSEFJLDZASRY-UHFFFAOYSA-N	388.380	3.785	5	40	GHBB	
COc1cc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])ccc1N1CCCC1=O	63917876	VKCKAMWHFWZLJA-WEVVVXLNSA-N	399.378	3.521	5	40	GHBB	
COc1cc(NC(=O)CSc2ncnc3ccccc23)c(C)cc1[N+](=O)[O-]	5505369	SBVIJBJYAWZAJC-UHFFFAOYSA-N	384.417	3.586	5	40	GHBB	
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	10454967	YCCQADOAGLJBDX-UHFFFAOYSA-N	395.440	3.866	5	40	GHBB	
COCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc([N+](=O)[O-])ccc21	100872691	DQHRNIQNMZSUHY-ICFOKQHNSA-N	397.865	3.713	5	40	GHBB	
CC(C)c1cccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	8984098	HOKNGWSLBIPASG-CYBMUJFWSA-N	376.434	3.519	5	40	GHBB	
COC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1	8904246	FDMFIWCLKHQNIO-UHFFFAOYSA-N	391.792	3.897	5	40	GHBB	
COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	20108909	DHKXKQBGGLJEJZ-GOSISDBHSA-N	378.450	3.669	5	40	GHBB	
CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C	25993922	UXXMNFFUERRCAJ-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	20410864	KLOSCHZCUWUCRA-UHFFFAOYSA-N	399.447	3.572	5	40	GHBB	
Cc1ccccc1[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	38757310	HGOZJDFXYXCLEG-HXUWFJFHSA-N	382.441	3.971	5	40	GHBB	
O=[N+]([O-])c1cc(Br)ccc1Nc1ccc([N+](=O)[O-])c2nonc12	85409408	VKBWZNTZFUWTAP-UHFFFAOYSA-N	380.114	3.545	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nc2ccc([N+](=O)[O-])cc2s1	9434078	PTYYVOJXNWDESL-GORDUTHDSA-N	376.375	3.826	5	40	GHBB	
Cc1cc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c(C)s1	32829913	WBEQSYBKLQUWMR-CYBMUJFWSA-N	389.477	3.919	5	40	GHBB	
C[C@H](Sc1nnc(C2CCCCC2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1	4977148	XAZAEVWTEMLFMT-LBPRGKRZSA-N	389.481	3.890	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cccc([N+](=O)[O-])c1	6561399	NMEABTKFPSMLPF-SFHVURJKSA-N	397.456	3.868	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1C	15360077	GDIMLAOAOPMWKZ-HNNXBMFYSA-N	396.465	3.866	5	40	GHBB	
Cc1ccc2c(c1)C(=O)N(CCCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C2=O	27917976	RLFJVWHTWGJGGM-CQSZACIVSA-N	396.399	3.584	5	40	GHBB	
COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)cc1[N+](=O)[O-]	59294214	SSOTWSVZKQKXNC-UHFFFAOYSA-N	396.428	3.587	5	40	GHBB	
CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4ccccc4nc3c2)CC1	408975173	IWFPIGWOEWODBF-UHFFFAOYSA-N	394.500	3.755	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F	1100237	SQQHJBRBALDUHI-QGZVFWFLSA-N	399.369	3.557	5	40	GHBB	
O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-]	3671960	JLVGDLCYDLJCML-UHFFFAOYSA-N	376.324	3.965	5	40	GHBB	biogenic
COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-]	7472989	LUZDVMLNTYZUOD-UHFFFAOYSA-N	399.384	3.708	5	40	GHBB	
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	53836211	JEMFRSGCSYYFOD-UHFFFAOYSA-N	387.783	3.579	5	40	GHBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1	408725785	HTGHBBBQXJOXDP-UHFFFAOYSA-N	376.503	3.878	5	40	GHBB	
COC[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1	8229860	KYKIQEWIRMIZCX-NSHDSACASA-N	394.811	3.814	5	40	GHBB	
O=c1[nH]c(COCC(F)(F)F)nc2cc(-c3cccc([N+](=O)[O-])c3)sc12	53850989	LVPYQUOKNZWWKX-UHFFFAOYSA-N	385.323	3.639	5	40	GHBB	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	96012035	GZVCVMAOKADFPK-WBVHZDCISA-N	388.489	3.875	5	40	GHBB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	226767066	QOPKURQNWYEXGM-UHFFFAOYSA-N	389.367	3.905	5	40	GHBB	
CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12	4130172	TVELOQVLHPVBCH-ORAYPTAESA-N	399.476	3.686	5	40	GHBB	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	8161158	CKIUZCFVRKTBEK-WMLDXEAASA-N	386.404	3.559	5	40	GHBB	
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	9502504	MHXGUTJNSRLKEF-NRFANRHFSA-N	375.384	3.715	5	40	GHBB	
CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	13115490	AAKTXRWQGSCYLP-IBGZPJMESA-N	380.429	3.651	5	40	GHBB	
Cc1ccc(-c2nc(CCNC(=O)COc3ccccc3[N+](=O)[O-])cs2)cc1	27990172	JPMUXGSTFVBTLH-UHFFFAOYSA-N	397.456	3.764	5	40	GHBB	
CCCOc1ccc(Br)cc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1	409349150	VDOSPVSYGBWCBN-UTCJRWHESA-N	396.197	3.518	5	40	GHBB	
O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1	20496215	GHJIYTSJRZGXCX-UHFFFAOYSA-N	389.165	3.660	5	40	GHBB	
C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	14085325	VUSMRMYTXMOBAP-GFCCVEGCSA-N	389.481	3.955	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1	22515951	VRVMSRHWYFSFMT-NSHDSACASA-N	392.433	3.740	5	40	GHBB	
CN1C[C@H](c2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565042	HLOGMWCJAAFGQF-NJAPINKUSA-N	392.242	3.515	5	40	GHBB	
CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	12602083	CHVRWOOMZJMNNR-MRXNPFEDSA-N	383.364	3.651	5	40	GHBB	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)ccc1[N+](=O)[O-]	31961142	GAWPOXWCMREJFX-UHFFFAOYSA-N	388.445	3.872	5	40	GHBB	
Cc1ccc(C2=N[C@@H](c3ccc([N+](=O)[O-])cc3)SC(N3CCOCC3)=N2)cc1	2705622	QERWZHLOSGHSRK-LJQANCHMSA-N	396.472	3.784	5	40	GHBB	
COc1cccc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1	3288041	DGZSSHUXLHNXLH-GOSISDBHSA-N	396.355	3.733	5	40	GHBB	aggregator
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1	7573915	RPTDWWFJMBZWGC-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2	95982864	KYMWLUQWSJWVJH-UHFFFAOYSA-N	389.477	3.676	5	40	GHBB	
CC[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1	225171754	YGGKOJVJMKNGOZ-INIZCTEOSA-N	378.450	3.650	5	40	GHBB	
Cc1ccccc1-n1cnnc1SCC(=O)Nc1c(C)cccc1[N+](=O)[O-]	6545859	YSMBBGPVTXTGMC-UHFFFAOYSA-N	383.433	3.523	5	40	GHBB	
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@H](C)C2	3372423	CZGFMWAIUALEMQ-VIFPVBQESA-N	378.406	3.803	5	40	GHBB	
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCC1=O	5440376	QLBJOAUZKZJIAL-UHFFFAOYSA-N	389.795	3.636	5	40	GHBB	
Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1C	830456	XRMOMNPBIOYPTI-UHFFFAOYSA-N	377.360	3.791	5	40	GHBB	
COc1ccc([C@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1	2796447	TTWUWIJAUOPSQK-HNNXBMFYSA-N	394.431	3.648	5	40	GHBB	
CCOC(=O)[C@@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12	6242295	IKFVSVFHVALILA-RLLQIKCJSA-N	392.411	3.631	5	40	GHBB	
COc1cc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F	7912108	VGZUSFZIRBIJKK-CMDGGOBGSA-N	385.344	3.649	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1Cl	12922103	VMMSWEIRWUXRGO-UHFFFAOYSA-N	393.223	3.861	5	40	GHBB	
COC(=O)c1cc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc([N+](=O)[O-])c1	12949438	MNGLHMJQXMYIHY-UHFFFAOYSA-N	381.344	3.597	5	40	GHBB	
COc1ccc(CSCC(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-]	40073435	JZIUFACKVMIYHW-UHFFFAOYSA-N	380.853	3.806	5	40	GHBB	
O=C1CC(=O)OC(c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)O1	59488735	MKKQMDYMRMUZGV-UHFFFAOYSA-N	396.380	3.783	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(Cc2cccs2)C2CC2)c1	95462116	MPEAGYALLTVABG-UHFFFAOYSA-N	386.882	3.971	5	40	GHBB	
Cc1cccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1	106708000	CSDUNWVFRMAJEC-IDUWFGFVSA-N	398.396	3.868	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1	223737296	RCPAXMOZHCCZFK-UHFFFAOYSA-N	384.413	3.866	5	40	GHBB	
CNc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1[N+](=O)[O-]	54702538	JSNBEEPNTZVQCP-IBGZPJMESA-N	375.388	3.803	5	40	GHBB	
CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	6517648	NPEUEEHCTRQKMI-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
Cc1ccc(C(=O)COC(=O)CCc2nc3ccccc3s2)cc1[N+](=O)[O-]	6625579	UWAUJRVMEJRICZ-UHFFFAOYSA-N	384.413	3.872	5	40	GHBB	
CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1	5644255	HNLYFQRGSRVSSB-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
CCOc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1	2974606	LLEYTZYGEMCQIX-JOCHJYFZSA-N	396.467	3.644	5	40	GHBB	
COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	32808777	HLCVLHUXMFYWCH-NSHDSACASA-N	384.841	3.639	5	40	GHBB	
C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	6409336	HPJHSXMJYBIVFK-ZDUSSCGKSA-N	397.460	3.507	5	40	GHBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(NC(=O)c2ccco2)cc1	24759718	CWZFMVXHXKPJEO-UHFFFAOYSA-N	395.371	3.839	5	40	GHBB	
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	8649487	LZGBYTVIIBSBQP-ZDUSSCGKSA-N	381.388	3.579	5	40	GHBB	
C[C@H]1Cc2cc(/C=C3/N=C(c4ccc(Cl)c([N+](=O)[O-])c4)OC3=O)ccc2O1	1439657	SDZFLIDBIVAPQZ-CYANDVJASA-N	384.775	3.916	5	40	GHBB	
CCOC(=O)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc([N+](=O)[O-])c1	8265298	GELVCPMZDOVCFH-UHFFFAOYSA-N	399.428	3.653	5	40	GHBB	
CC[C@H](C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c1	20528907	QFMWTECRJLOYHN-NSHDSACASA-N	389.364	3.941	5	40	GHBB	
CC(C)(C)OC(=O)NCC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1	84240529	OHXYCSQBUXIPDX-UHFFFAOYSA-N	378.429	3.554	5	40	GHBB	
COc1cc2c(cc1Br)CCN(C)C[C@@H]2c1ccc([N+](=O)[O-])cc1	146517210	WHRWHCNKOIRDLB-MRXNPFEDSA-N	391.265	3.986	5	40	GHBB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	217892604	YFNPLEQXNQCLBH-CMDGGOBGSA-N	384.417	3.768	5	40	GHBB	
COc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)cc1	408526721	AJTMBFXJMICGLB-UHFFFAOYSA-N	385.763	3.933	5	40	GHBB	
COc1ccc(C)cc1CN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1	603842659	HGCWMCBYBDMATL-UHFFFAOYSA-N	392.459	3.782	5	40	GHBB	
COc1ccc(OC)c(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1	1300586	YXEBFUJUJUSTSA-UHFFFAOYSA-N	378.340	3.566	5	40	GHBB	
Cc1ccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1	13957783	CEDQLPMCDOMZFJ-UHFFFAOYSA-N	394.431	3.933	5	40	GHBB	
CNS(=O)(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	7737569	DEONKQDGSKOTAE-UHFFFAOYSA-N	376.221	3.553	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F	32100796	UQNKHHXRRVAYIU-INIZCTEOSA-N	385.342	3.628	5	40	GHBB	
COc1cc(C(=O)OCCCC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC	3450035	GGQZUTYMNZXBEV-UHFFFAOYSA-N	391.351	3.571	5	40	GHBB	
C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	3610551	VXVLJMUQIPHUGI-OAQYLSRUSA-N	375.384	3.715	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(COCC(F)(F)F)cc1	11483812	IJVIREGXMNYIKD-UHFFFAOYSA-N	398.337	3.612	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccc1Oc1ccccc1	95470270	JHBPYYWENIIPRH-UHFFFAOYSA-N	395.396	3.948	5	40	GHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	3501537	WETXYDWWNAIYTC-UHFFFAOYSA-N	383.433	3.604	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)CCC1CCCCC1	7701774	ABERBJLQBHKTCN-ZDUSSCGKSA-N	378.425	3.834	5	40	GHBB	
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCSc2ccccc21	33157910	ZHKLOXVFHATSHW-UHFFFAOYSA-N	380.429	3.923	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2C)n[nH]1	33635453	WDQWORDJNMYNDR-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=c1nc2n(-c3cccc(C(F)(F)F)c3)c3cccc(Cl)c3cc-2c(=O)[nH]1	2247998	ZNTNBDDCMOLBOO-UHFFFAOYSA-N	391.736	3.851	5	40	GHBB	
O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F	2633958	NBORDVFJMIKGHC-UHFFFAOYSA-N	398.799	3.661	5	40	GHBB	
CCOc1cccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)c1	5298163	NSKANUOEOOQPOX-UHFFFAOYSA-N	381.417	3.610	5	40	GHBB	
CCOC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1[N+](=O)[O-])c1ccccc1	6154568	HUNKPVMITZNFKY-AWEZNQCLSA-N	375.356	3.550	5	40	GHBB	
C[C@H]1C[C@H](C)CN(c2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1	9360984	HWJXTCYVPPJILE-QWRGUYRKSA-N	376.848	3.846	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2	12754163	BSVOOJNPTJCLEA-NSHDSACASA-N	390.823	3.900	5	40	GHBB	
CCCc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)c2ccccc2)no1	78823516	PLANJXQSXAPLNK-INIZCTEOSA-N	386.433	3.820	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc(Cl)cc1	12510700	JIBRJJLLLBFCLL-LJQANCHMSA-N	397.818	3.928	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccccc2)C1	12545073	NZGYPOSSIOHVBY-QHCPKHFHSA-N	398.462	3.755	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc(Cl)ccc2Cl)CC1	19943550	OAUWNBCQGWILED-UHFFFAOYSA-N	380.231	3.864	5	40	GHBB	
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)n1cnc2cc([N+](=O)[O-])ccc21	96305700	KOZBIZBYCSDBRF-UHFFFAOYSA-N	386.216	3.797	5	40	GHBB	
COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C	6357748	JVSMILZOQCUASK-JXMROGBWSA-N	383.404	3.850	5	40	GHBB	
CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	4526217	JBGNAEIGACKUHT-BOPFTXTBSA-N	388.807	3.971	5	40	GHBB	
C[C@H](NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	4657326	JCGCJMWKCGGMOK-PGBBXINNSA-N	387.505	3.804	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	7975360	IPAMAZCXXZCCJE-MRVPVSSYSA-N	398.202	3.668	5	40	GHBB	
C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	12545614	RHVUKEPJZIDCPC-LBPRGKRZSA-N	393.875	3.812	5	40	GHBB	
NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1	55855319	JZOKPEJTRXMSPD-HXUWFJFHSA-N	379.391	3.712	5	40	GHBB	
CCN(CC)[C@@H](CNC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)c1ccsc1	57997436	HPSDRKQRZYYTMT-KRWDZBQOSA-N	379.457	3.917	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2(c3ccc(F)cc3)CCC2)cc1C	63347090	MDCBTNRWFYCLFS-UHFFFAOYSA-N	378.425	3.708	5	40	GHBB	
Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1ccc(F)cc1	408566634	FUONKNICCQEVKR-MRXNPFEDSA-N	376.388	3.964	5	40	GHBB	
O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c([N+](=O)[O-])c1	6505424	LCPILOQTRPWAQC-UHFFFAOYSA-N	393.896	3.821	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O	35714469	YTQPUPQSHQWEAW-UHFFFAOYSA-N	381.171	3.706	5	40	GHBB	
COc1ccc2cc(CN(C)C(=O)COc3ccccc3[N+](=O)[O-])ccc2c1	12938782	MPINCRKTQFQKGI-UHFFFAOYSA-N	380.400	3.794	5	40	GHBB	
O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-]	408628602	VGPNCLLWZIGLFQ-UHFFFAOYSA-N	398.213	3.623	5	40	GHBB	
O=C(Nc1c2c(nn1-c1nc3ccccc3s1)CCC2)c1ccc([N+](=O)[O-])o1	35596703	FDZCERKTSLKTGZ-UHFFFAOYSA-N	395.400	3.724	5	40	GHBB	
C[C@@H](Sc1nncs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	5980045	MITZLNFSZPJYDW-ZCFIWIBFSA-N	378.357	3.584	5	40	GHBB	
Cc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c(C)c1	5270739	SCZIUUVQFQAIRT-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	408627710	NEPYZZDJWMWERX-UHFFFAOYSA-N	389.839	3.528	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccc(CN2CCCC2)c1	224591359	MPRSNYUTBCLLPW-UHFFFAOYSA-N	399.516	3.740	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	40090860	NQGPFBFHDMHTIP-HZPDHXFCSA-N	395.459	3.894	5	40	GHBB	
CCOc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[nH]c2c1	13284333	TYSFWWNSSGQMAU-UHFFFAOYSA-N	390.396	3.740	5	40	GHBB	
C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccccc1[N+](=O)[O-]	89574030	GCTSVIDGLZNNSP-LBPRGKRZSA-N	380.356	3.638	5	40	GHBB	
Cc1ccc(CNC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1	4355879	LGSHOTMYXQABRD-UHFFFAOYSA-N	394.456	3.769	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c(C)c1	10187958	XQWVVVYTQOBETJ-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CC(=O)n1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)c2ccccc21	5481333	PHJCCBCOUSIGAP-YVLHZVERSA-N	375.340	3.554	5	40	GHBB	
Cc1cccc2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)c(=O)[nH]c12	9216328	WBEDCYYSKKEVSQ-UHFFFAOYSA-N	379.416	3.796	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccc(Cl)cn1	58109254	GLOIZZUNQPJWCL-UHFFFAOYSA-N	375.690	3.680	5	40	GHBB	
CCN(CC)CCOC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-]	1873308	VFNZKSGJFPRMTN-UHFFFAOYSA-N	386.448	3.981	5	40	GHBB	
O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc([N+](=O)[O-])cc1	5532044	MTQDWOKKBHWGAI-UHFFFAOYSA-N	391.412	3.699	5	40	GHBB	
COc1ccccc1Cc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	9355781	QDEATVDBURRZNG-UHFFFAOYSA-N	384.417	3.606	5	40	GHBB	
O=C(CCOc1ccc([N+](=O)[O-])cc1)NCc1ccccc1OC(F)(F)F	31534124	XNDJCHLOGXOSIE-UHFFFAOYSA-N	384.310	3.579	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2(c3ccncc3)CC2)CC1	89929995	CRQLLWNKVNSGPX-UHFFFAOYSA-N	394.475	3.688	5	40	GHBB	
O=C(Nc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	850965	FLQGFCCKVBSYPN-LGMDPLHJSA-N	377.356	3.597	5	40	GHBB	
CCN1CCN(c2ccc(-n3c(C)nc4cc5ccccc5cc4c3=O)cc2)CC1	5005705	PKDAHXXNEJMFGT-UHFFFAOYSA-N	398.510	3.989	5	40	GHBB	
O=C(O)c1cc(-c2ccccc2O)nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c12	20492272	TYPOVPSKUGWFNZ-UHFFFAOYSA-N	376.328	3.604	5	40	GHBB	
Cc1ccc(NN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1	2071518	PPGGZJPDQCLJEP-UHFFFAOYSA-N	392.327	3.588	5	40	GHBB	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl	3514387	GVEKHVZSQNNXNH-UHFFFAOYSA-N	399.186	3.706	5	40	GHBB	
CCC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1	5469914	STQHNWGKOWVOCC-NSHDSACASA-N	387.461	3.913	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	8560897	SBQFICSXPQMXAN-UHFFFAOYSA-N	389.364	3.653	5	40	GHBB	
CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	9233134	KBPRZZWPKHELGH-LICLKQGHSA-N	397.412	3.790	5	40	GHBB	
Cc1cc(C)n2nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2n1	9497870	VTFDRAQOOCPGAN-NSHDSACASA-N	397.420	3.553	5	40	GHBB	
COc1ccc(Cc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	13998095	BVEGIZGXRCCPKI-UHFFFAOYSA-N	385.401	3.552	5	40	GHBB	
COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1	20142516	HZLRBKREDPWUJE-UHFFFAOYSA-N	398.371	3.617	5	40	GHBB	
CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224744372	LQQIGVDSVVTBLY-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ccc(Br)o1	3181301	VSDPWLMSHIQNHV-UHFFFAOYSA-N	389.987	3.965	5	40	GHBB	
CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	33780345	KBPRZZWPKHELGH-YVLHZVERSA-N	397.412	3.790	5	40	GHBB	
Cc1nn(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-]	3348668	LVILYMWVGNRHAU-UHFFFAOYSA-N	380.404	3.626	5	40	GHBB	
CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCCC	6623302	IYIRSYHZPNLASJ-UHFFFAOYSA-N	394.449	3.973	5	40	GHBB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@H](C)c2ccccn2)cc1C	67717382	NMTQJJIBVWPODY-CQSZACIVSA-N	375.450	3.521	5	40	GHBB	
CC(C)C(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc2nccnc2c1	12821390	FZRAVLQWSTYMAL-HXUWFJFHSA-N	389.415	3.872	5	40	GHBB	
COc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OC	4479339	GFTQXJRPHDNYGN-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	5800160	QKQUMJATQGIOIR-LJQANCHMSA-N	388.383	3.506	5	40	GHBB	
COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N(C)C)cc1OC	6830978	VCDGUFNXGJHRDW-IBGZPJMESA-N	396.447	3.875	5	40	GHBB	
O=[N+]([O-])c1cccc(CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)c1	12361124	BYXVYGGBKSOJHS-UHFFFAOYSA-N	383.838	3.652	5	40	GHBB	
CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-]	13633072	ZXKKQHUBZARARG-UHFFFAOYSA-N	382.464	3.606	5	40	GHBB	
Cc1c(O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(O)nn(C(C)C)c3nc12	79491896	LVXISXUHXGMMIM-UHFFFAOYSA-N	390.399	3.987	5	40	GHBB	
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C2\SC(=N)NC2=O)o1	408972468	CFRPJQWRKDGCMN-PQMHYQBVSA-N	379.781	3.655	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21)c1ccccc1	409371995	KTWSXIZYTQAFGD-QCFAMHMHSA-N	386.407	3.990	5	40	GHBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(=O)O)c(O)c1	20145330	ZJSKZAXIYMOTOH-JXMROGBWSA-N	394.339	3.911	5	40	GHBB	
O=C(NCc1coc(-c2cccs2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	10874940	CWVUWIRFWGGXJF-UHFFFAOYSA-N	398.444	3.842	5	40	GHBB	
CC(C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	12932737	NRLZDLMQBVEFPR-UHFFFAOYSA-N	375.812	3.773	5	40	GHBB	
N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(Br)cc1	4771345	XWTNNCLBARHEKC-UHFFFAOYSA-N	388.177	3.835	5	40	GHBB	
CCC1(CC)C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1	224948818	UKCWXVYCEAHDQA-OAHLLOKOSA-N	390.461	3.956	5	40	GHBB	
Nc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)sc2c1	2500904	RRWVWZUJMCKDTM-UHFFFAOYSA-N	378.410	3.657	5	40	GHBB	
Cc1nccc(-c2cccc(NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)n1	31785576	MWWWWCCDVJMNQP-UHFFFAOYSA-N	377.404	3.719	5	40	GHBB	
COc1cc(NC(=O)COc2cc(C)ccc2[N+](=O)[O-])c(OC)cc1Cl	10347036	VUVWVBZJRYYZGV-UHFFFAOYSA-N	380.784	3.591	5	40	GHBB	
O=[N+]([O-])c1cc2c(cc1-c1nc(O)c3c4c(sc3n1)CCCCC4)OCO2	408987700	GJMYFJBZJOQWHX-UHFFFAOYSA-N	385.401	3.970	5	40	GHBB	
CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1	4703031	OBTUYYZQUBSQHZ-INIZCTEOSA-N	381.432	3.929	5	40	GHBB	
COc1cccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	8050288	LPYKIQPUQLKNLC-UHFFFAOYSA-N	381.354	3.949	5	40	GHBB	
Cc1[nH]nc(O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(O)n[nH]c1C	409081834	ICLLKIJQGLIMCQ-UHFFFAOYSA-N	395.375	3.509	5	40	GHBB	
O=C(OCc1nccn1C(F)F)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	32853934	FWHBCGYSPCYIQI-UHFFFAOYSA-N	394.378	3.924	5	40	GHBB	
CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	28188597	GBBZFRYRGARLQJ-UHFFFAOYSA-N	378.797	3.632	5	40	GHBB	
CCOc1ccc(-n2ccnc(SCc3cccc([N+](=O)[O-])c3)c2=O)cc1	12415374	GKIPDLYWJOMAIA-UHFFFAOYSA-N	383.429	3.832	5	40	GHBB	
Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-]	7928130	BGIBLWSAZPDUKZ-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1cccc([N+](=O)[O-])c1	2794626	ULKGOIKQPHIEEF-UHFFFAOYSA-N	391.309	3.506	5	40	GHBB	
CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	12935128	CMCCGKJIIMVWNN-UHFFFAOYSA-N	384.388	3.619	5	40	GHBB	
CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	6857672	OVABRADXKLONGY-CQSZACIVSA-N	378.841	3.727	5	40	GHBB	
COc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C	408628016	PMEFMNSSMLHKDB-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409314141	DWPAFJIRQPDNJE-LICLKQGHSA-N	382.397	3.822	5	40	GHBB	
O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20649949	LRWHQAMMWRISSW-LLVKDONJSA-N	378.791	3.637	5	40	GHBB	
CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	3852916	MGPFQJNDWRBPRD-LICLKQGHSA-N	399.428	3.711	5	40	GHBB	
O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc([N+](=O)[O-])c1	6882746	PVHXZMMVIVZBBO-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1	12752118	UYJLTNRALPSCHW-KRWDZBQOSA-N	392.433	3.863	5	40	GHBB	
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1C	13633068	AGWQNEPHUHMQMZ-UHFFFAOYSA-N	394.475	3.748	5	40	GHBB	
COc1ccc(CN(C(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)C2CC2)cc1	40114959	XOZLLMVAYOXVFA-UHFFFAOYSA-N	394.431	3.534	5	40	GHBB	
COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1	13000717	GIOGRCYWZTWUCL-SFHVURJKSA-N	384.436	3.562	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1	84093823	BWMGGFXJMAFBGC-UHFFFAOYSA-N	389.458	3.755	5	40	GHBB	
COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	409232557	RCHTZICMHOJDDS-LFIBNONCSA-N	388.401	3.928	5	40	GHBB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1	409160012	PAMMYJMCOYDGNX-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
COC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1	12947980	OLXGTDNLDWPNBL-UHFFFAOYSA-N	389.751	3.664	5	40	GHBB	
Cc1ccc([C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1	16088284	RGBQVOKLBCAYIZ-HXUWFJFHSA-N	382.441	3.971	5	40	GHBB	
O=C(NCc1ccc2c(c1)OCO2)c1ccc2[nH]c3nc4ccccc4nc3c2c1	38199661	UDCMANDKCRQDOC-UHFFFAOYSA-N	396.406	3.923	5	40	GHBB	
CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	103116853	FODMUZXEMOEGDM-HDPGCNQUSA-N	387.436	3.591	5	40	GHBB	
O=C(Nc1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2oc1=O	807580	LFFPPXDFFXNGID-UHFFFAOYSA-N	378.262	3.972	5	40	GHBB	
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1	7721318	VUPBLLFUIAILBM-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	24931220	ZQWZQWJIFSQXAB-LJQANCHMSA-N	376.416	3.647	5	40	GHBB	
CC(C)n1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	5417753	PSGUSTGVOCKYKW-UHFFFAOYSA-N	389.359	3.517	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1C	16736269	KTLAOIUMRXNORT-HNNXBMFYSA-N	396.465	3.866	5	40	GHBB	
COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1	5661130	MJZNNISDBVFJRS-UHFFFAOYSA-N	381.344	3.701	5	40	GHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(C)c1	14082079	FWGHKPQGPBJDOH-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
CCc1cccc2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc12	4583478	KQQQDBCRDASBGS-UHFFFAOYSA-N	396.472	3.729	5	40	GHBB	
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1	32853570	VRUXCQUGZMPYGX-OAHLLOKOSA-N	376.416	3.998	5	40	GHBB	
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	23125021	HVNFUTUZKLXDJH-UHFFFAOYSA-N	383.429	3.898	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-]	3378317	PGDHWFSLYXSRAM-UHFFFAOYSA-N	397.431	3.689	5	40	GHBB	
CN(C)c1c(C(=O)Nc2cccc3ccccc23)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4014491	CRMUXJFXFUWXBQ-UHFFFAOYSA-N	380.360	3.975	5	40	GHBB	
O=C(CN1CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br	5897254	VMWGXUDELUCCMO-UHFFFAOYSA-N	390.237	3.749	5	40	GHBB	
O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-]	8752515	LNFZBCYLFSELBX-UHFFFAOYSA-N	395.872	3.830	5	40	GHBB	
CC(C)c1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1	408564666	DMAFQDSUZJHOMP-KGSLCBSSSA-N	391.471	3.865	5	40	GHBB	
CCCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	3016576	CPBXXPQWDYUOMA-UHFFFAOYSA-N	379.398	3.730	5	40	GHBB	
O=C(O)c1cnn(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C(F)(F)F	4014459	IGDMGZSQPCSPBR-UHFFFAOYSA-N	384.295	3.621	5	40	GHBB	
Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	7122357	XVMNWYGVUBSFMY-FQEVSTJZSA-N	376.368	3.958	5	40	GHBB	
C[C@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	8287304	PJICHSBCIYJOEI-RMLUDKJBSA-N	386.191	3.833	5	40	GHBB	
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1	20611851	UMPQKDVVTOHDGQ-UHFFFAOYSA-N	399.447	3.719	5	40	GHBB	
Cc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2N2CCOCC2)cc1	22762139	SDXCQAJKYBZLMO-MRCUWXFGSA-N	396.472	3.634	5	40	GHBB	
O=C(CSc1nn2c(-c3ccccc3)nnc2s1)c1ccc([N+](=O)[O-])cc1	27525862	HRFYYGJBKMNWJF-UHFFFAOYSA-N	397.441	3.736	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2Cl)NC(=O)N1	6046159	GUKNWLRBERSTGO-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
O=C(CSc1nccn1C1CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	8725540	XBICIXXVVPYWBC-UHFFFAOYSA-N	386.355	3.876	5	40	GHBB	
CCn1c(Sc2ncc([N+](=O)[O-])c(NC3CC3)n2)nnc1-c1ccccc1C	26699196	UWNXWDMQSJMNQO-UHFFFAOYSA-N	397.464	3.697	5	40	GHBB	
CCN(C(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	3556532	BKQSOJLKGLVUOF-LBPRGKRZSA-N	376.796	3.847	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccc2c(c1)CCC2	6601198	OXPONBAIMKUBKI-UHFFFAOYSA-N	388.445	3.660	5	40	GHBB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	22393181	GNAFTZBBNJBEIV-UHFFFAOYSA-N	383.448	3.981	5	40	GHBB	
O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	3198966	OHQCXCUKIRVHRS-BQYQJAHWSA-N	376.294	3.822	5	40	GHBB	
Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	4924907	CEPVGVZBGSEATM-UHFFFAOYSA-N	393.428	3.604	5	40	GHBB	
Cc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1C	5270742	KZUXARFXQNYAPO-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
Cc1nn(C)cc1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1	71785154	MCLSWRALFABTQH-HXUWFJFHSA-N	377.404	3.698	5	40	GHBB	
O=C(CNC(=O)C1CCCCC1)OCc1cc(=O)oc2ccc3ccccc3c12	3355047	ZLRHRKUJPFVULT-UHFFFAOYSA-N	393.439	3.686	5	40	GHBB	aggregator
O=c1[nH]c(O)nc2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C=C(c1ccccc1)O2	16477959	ISSVJQALNOFXIT-CYBMUJFWSA-N	397.774	3.603	5	40	GHBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccnc1Oc1cccc(F)c1	40094280	SPJKQBSGPVVJSL-UHFFFAOYSA-N	382.351	3.555	5	40	GHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1OC	40152760	CPCKJJUILZDMOQ-UHFFFAOYSA-N	393.827	3.974	5	40	GHBB	
NC(=O)c1ccc(CN2CCc3sccc3[C@@H]2c2cccs2)c([N+](=O)[O-])c1	23990167	JLCZQHHHWIQFNA-GOSISDBHSA-N	399.497	3.964	5	40	GHBB	
CNc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1[N+](=O)[O-]	7257920	IKRUTCDLBOCHGQ-UHFFFAOYSA-N	382.464	3.552	5	40	GHBB	
COc1ccc(C)cc1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1	12546176	ZCJCBPVFJUOKPF-UHFFFAOYSA-N	392.459	3.782	5	40	GHBB	
NC(=O)c1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1	55855318	JZOKPEJTRXMSPD-FQEVSTJZSA-N	379.391	3.712	5	40	GHBB	
COc1ccc(C)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	57363696	SHMRLJZQRXBOKK-UHFFFAOYSA-N	375.856	3.887	5	40	GHBB	
COc1ccc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1	57508910	HRWKAQNLJWRLTP-UHFFFAOYSA-N	388.807	3.995	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F	48324620	GSEVKOHSELLHGI-UHFFFAOYSA-N	389.355	3.678	5	40	GHBB	
CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl	3431022	ZGIRZCQYHONHBS-UHFFFAOYSA-N	393.852	3.681	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)O)c(Cl)cc1Cl	20144826	KLHDJEFWHRDZTN-UHFFFAOYSA-N	385.159	3.617	5	40	GHBB	
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	5508543	PIBGKEXGMSNNDO-NSHDSACASA-N	390.779	3.635	5	40	GHBB	
O=C(NCc1ccc(F)c(Cl)c1)c1cccn2c(=O)c3ccccc3nc12	51317282	MTTGJYGUTWNTLG-UHFFFAOYSA-N	381.794	3.570	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1	1838000	LZSIOMVRBQDQOC-UHFFFAOYSA-N	385.397	3.942	5	40	GHBB	
Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1Cc1cccs1	3287500	AOWXFLLXXIIACK-UHFFFAOYSA-N	388.401	3.756	5	40	GHBB	
O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	4427665	NLVSPIBPCCQSJY-UHFFFAOYSA-N	389.363	3.866	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C)cc1Br	5694364	MKSNTHNYHIERSU-UHFFFAOYSA-N	394.225	3.725	5	40	GHBB	
C[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccc(F)c1	6790822	MIXSBLPUYPIRRV-CYBMUJFWSA-N	393.440	3.692	5	40	GHBB	
Cc1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c([N+](=O)[O-])c1	7239066	NMCLFZNWRUGVRW-UHFFFAOYSA-N	379.372	3.555	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)c1	8048431	WRAJZENPBWFTES-FQEVSTJZSA-N	386.859	3.899	5	40	GHBB	
Cc1oc(-c2ccccc2)nc1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	12479560	XGIQWRQFFBHUNB-UHFFFAOYSA-N	396.355	3.686	5	40	GHBB	
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1	17587250	JIPHVZBDPLWJLW-OAHLLOKOSA-N	376.796	3.591	5	40	GHBB	
COC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	32809549	DHCXJPNVAOATIP-UXBLZVDNSA-N	388.807	3.707	5	40	GHBB	
O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@@H]1C[C@@H]1[N+](=O)[O-]	40114793	ICBSIEOIQLMMSU-CLCXKQKWSA-N	383.835	3.735	5	40	GHBB	
Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1	408624010	AJTBOAGJOKIHJM-UHFFFAOYSA-N	386.458	3.948	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccc(F)cc1)Cc1ccco1	8917195	BUYHUAWPKFVJCW-UHFFFAOYSA-N	384.363	3.935	5	40	GHBB	
O=C(Cc1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	6969771	HLXPJJOEBQTFOF-UHFFFAOYSA-N	394.258	3.793	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1	5023309	WNPKIYUFPZVURR-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
Cc1[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1Cc1ccccc1	6649215	YTSFUZDQOPYVGD-UHFFFAOYSA-N	382.445	3.948	5	40	GHBB	
O=C(c1cccs1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1	9667705	NBQRDEKDEXNDMU-UHFFFAOYSA-N	395.400	3.808	5	40	GHBB	
O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)Nc1ccc([N+](=O)[O-])cc1	89866576	CUIKAAOCPGOTTI-UHFFFAOYSA-N	376.416	3.804	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2c(=O)o1	11689991	RUKXKRMMKFCICC-UHFFFAOYSA-N	389.161	3.716	5	40	GHBB	
Cc1ccccc1-c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	9446071	VKTXMARJBFCUFI-UHFFFAOYSA-N	385.361	3.582	5	40	GHBB	
COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-]	882019	GKDSECUSPXGTAP-UHFFFAOYSA-N	381.413	3.883	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Br)cc1Cl	6495577	CFKWJSUJQPCSMR-UHFFFAOYSA-N	381.569	3.811	5	40	GHBB	
CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	72295881	VHLOMDKNWKUCMP-HUUCEWRRSA-N	377.828	3.721	5	40	GHBB	
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCC1=O	5440985	KIHKGGNMWHVBEA-UHFFFAOYSA-N	389.795	3.636	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2csc(C)n2)cc1	12615021	FBKVFLPTDCPYOM-UHFFFAOYSA-N	383.429	3.965	5	40	GHBB	
COc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCCO	4940166	AIHYDZJINHZDOC-VXPUYCOJSA-N	385.445	3.748	5	40	GHBB	
C[C@H](OCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	32808450	NNTCMCHPKPRFII-AWEZNQCLSA-N	378.450	3.578	5	40	GHBB	
O=C(COC(=O)c1cccs1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	2637886	FZBQLICUNZGARA-UHFFFAOYSA-N	389.414	3.575	5	40	GHBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(I)c1	4506165	UIPFCWCWOCLPLN-UHFFFAOYSA-N	386.120	3.591	5	40	GHBB	
Cn1cnnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	8943018	TYSJZNRIXYQFDC-UHFFFAOYSA-N	389.824	3.780	5	40	GHBB	
COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	32808779	HLCVLHUXMFYWCH-LLVKDONJSA-N	384.841	3.639	5	40	GHBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCNc1nc2ccccc2s1	32911609	UMAAPQOYMUSIGI-UHFFFAOYSA-N	399.476	3.625	5	40	GHBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1	408628582	VCUAHWNWOPRDFM-UHFFFAOYSA-N	392.440	3.893	5	40	GHBB	
O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])o1	7246431	CITSEFHEIGEUHI-UHFFFAOYSA-N	383.335	3.509	5	40	GHBB	
O=C(NCCSc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	20014152	SUOLDOLCHDWABQ-UHFFFAOYSA-N	381.797	3.679	5	40	GHBB	
CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12	20609666	BMBYQGQFQHXOQO-UHFFFAOYSA-N	398.404	3.559	5	40	GHBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1csc(Nc2ccccc2)n1	40071060	CIMCVWYBIUCELI-UHFFFAOYSA-N	380.385	3.591	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224791367	WFOJETDZXDETHE-UHFFFAOYSA-N	399.812	3.680	5	40	GHBB	
COc1ccc([C@@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1	2796448	TTWUWIJAUOPSQK-OAHLLOKOSA-N	394.431	3.648	5	40	GHBB	
COc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(F)F	3283571	CXPAKBMWCNOUKC-NTUHNPAUSA-N	390.298	3.549	5	40	GHBB	
O=C(c1ccco1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1	14576553	VEOPDOXDZWHJHM-UHFFFAOYSA-N	382.376	3.823	5	40	GHBB	
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1	20611849	YVOLAIQLIIKRCL-OAHLLOKOSA-N	399.447	3.861	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](C(F)(F)F)C1	24486892	ONLHNOFYQZHIRJ-AWEZNQCLSA-N	388.389	3.956	5	40	GHBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(C1CC1)[C@@H]1CCCc2ccccc21	62581181	VXYZWBGPBCUFSW-GOSISDBHSA-N	391.427	3.690	5	40	GHBB	
Cc1cccc(-n2c(C)nnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c1	89686134	XEPBNDCKIFBQNA-UHFFFAOYSA-N	398.444	3.951	5	40	GHBB	
Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2nc(C3CCCC3)n[nH]2)c1C	12104067	SUCBAXTZXUWHEI-UHFFFAOYSA-N	375.454	3.718	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1	14495417	WOFHXVMLUKUBMF-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COc1ccc(OCC(=O)Nc2c(C(C)=O)oc3ccccc23)c([N+](=O)[O-])c1	16658826	KWCIUBXLFUHSMN-UHFFFAOYSA-N	384.344	3.570	5	40	GHBB	
COc1ccc(NC(=O)NCc2ccc(CN3CCCCC3)cc2)c([N+](=O)[O-])c1	23394677	HZTWGLKNNKIDFZ-UHFFFAOYSA-N	398.463	3.911	5	40	GHBB	
COc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C	225565028	INFDXSBKMYLGIJ-UHFFFAOYSA-N	384.432	3.907	5	40	GHBB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1	4680259	BIYURQLNQBKEOR-INIZCTEOSA-N	386.795	3.515	5	40	GHBB	
O=[N+]([O-])c1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1	8393291	JXKFWZSGWLPZJH-UHFFFAOYSA-N	399.457	3.965	5	40	GHBB	
COc1cccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)c1	12977324	CVLZPVKSFXYNMV-LJQANCHMSA-N	384.436	3.562	5	40	GHBB	
O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1	47996056	ODKKPJCARWDCLF-CQSZACIVSA-N	377.404	3.923	5	40	GHBB	
Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-]	48355174	ZEFILUYLEFHWBS-UHFFFAOYSA-N	381.432	3.962	5	40	GHBB	
Nn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409092429	XYZIRYACYFNOLE-UHFFFAOYSA-N	395.366	3.661	5	40	GHBB	
COc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc1OC	27581151	OQJUQBVNERGYSF-UHFFFAOYSA-N	393.399	3.854	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	15629310	HBCVQPWRBZBJBA-HNNXBMFYSA-N	375.384	3.740	5	40	GHBB	
COc1ccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCS2)cc1	4708512	CUIBGPMNSCIXCX-UHFFFAOYSA-N	385.445	3.786	5	40	GHBB	
O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1cc([N+](=O)[O-])ccc1Cl	5168580	YJUSIMHZNHLSKZ-UHFFFAOYSA-N	394.778	3.605	5	40	GHBB	
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2=O)c1	5270079	VDBJDYCPPMKLAS-UHFFFAOYSA-N	395.390	3.813	5	40	GHBB	
CCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1	1322665	QZLXMUPEAKOXGI-GOSISDBHSA-N	382.480	3.933	5	40	GHBB	biogenic
CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	5379604	KRKAIKWYXZKJDH-UHFFFAOYSA-N	384.344	3.917	5	40	GHBB	
CCOC(=O)C1CCN(C(=S)Nc2cc3ccncc3c3ncccc23)CC1	6350277	OYDIMGDUCNNXET-UHFFFAOYSA-N	394.500	3.755	5	40	GHBB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCc2ccccc21	8394506	BQSPGXCRCQNDKH-GFCCVEGCSA-N	388.807	3.773	5	40	GHBB	
Cc1ccc(S(=O)(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1	32315739	QUDZWKFPLLXNIH-UHFFFAOYSA-N	385.445	3.598	5	40	GHBB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1	7342087	GYAGXPCGGVXTGT-UHFFFAOYSA-N	398.400	3.578	5	40	GHBB	
Cc1c(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cccc1[N+](=O)[O-]	17077930	AWROLMNHRVOUOW-UHFFFAOYSA-N	381.413	3.889	5	40	GHBB	
CC(C)[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1	26802093	OJKJRFXVLJTBEG-SFHVURJKSA-N	389.477	3.620	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C	78992174	WMUJDOLEKVKRGM-WMLDXEAASA-N	391.468	3.669	5	40	GHBB	
CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC	218119264	CUFGSIGFSVOXOR-UHFFFAOYSA-N	378.812	3.976	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCc3ccccc3C2)C1	408606608	IZTMSSWVUUZJFQ-QGZVFWFLSA-N	385.851	3.521	5	40	GHBB	
CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cc([N+](=O)[O-])ccc1Cl	5249713	LNWQYDHWSKWGOQ-SQUSKLHYSA-N	383.835	3.885	5	40	GHBB	
CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCCCC1	12562741	WCFOOCDTHWOTPE-UHFFFAOYSA-N	382.464	3.656	5	40	GHBB	
Cc1nc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(Cl)cc1	12856172	JLSHDPLQLYVLOT-LBPRGKRZSA-N	399.838	3.971	5	40	GHBB	
O=C(C[C@@H]1C=CCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	23325353	JXQWYRAFMRBBHO-CQSZACIVSA-N	386.429	3.722	5	40	GHBB	
CCOc1ccc(-c2nn3c(SCC)nc4ccccc4c3nc2=O)cc1	89991201	URPKLOHEOBUDPZ-UHFFFAOYSA-N	378.457	3.815	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc12	10010594	OGEZJBKMBMVTRO-UHFFFAOYSA-N	388.361	3.682	5	40	GHBB	
CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1	1321115	IIAGIBZTWFZKJQ-CYBMUJFWSA-N	398.488	3.961	5	40	GHBB	
Cc1sc(C(=O)N2CCN(CCSc3ccccc3)CC2)cc1[N+](=O)[O-]	56950794	WJGWJDOSIARKBK-UHFFFAOYSA-N	391.518	3.515	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccccn2)n1	12762469	XHAHGTIHWLAWBH-ZDUSSCGKSA-N	382.445	3.875	5	40	GHBB	
COc1cc(C(=O)NCCSCc2ccc(C)cc2)c([N+](=O)[O-])cc1OC	12764339	BRIWTSAXVVYWBR-UHFFFAOYSA-N	390.461	3.584	5	40	GHBB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1	408974677	GOUJGULLOQNBNM-UHFFFAOYSA-N	381.348	3.558	5	40	GHBB	
COc1ccc(OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c([N+](=O)[O-])c1	5051667	ZZFRCNIRTZRNOV-UHFFFAOYSA-N	386.326	3.846	5	40	GHBB	
O=C(/C=C/c1ccco1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	4678157	KTGIYBWMDKCJKW-GQCTYLIASA-N	395.337	3.569	5	40	GHBB	
CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccncc2)s1	4881369	FJKWZSXVWNXEGE-UHFFFAOYSA-N	383.433	3.955	5	40	GHBB	
Cc1c(NC(=O)CN(C)Cc2ccc(Br)cc2)cccc1[N+](=O)[O-]	6941914	IYAMDSXKVWLCKK-UHFFFAOYSA-N	392.253	3.736	5	40	GHBB	
CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1	23139321	PNSBFRGJIURWKU-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
O=C1S[C@H](Nc2ccc(Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	2352515	UNSRDJNHJWUMFV-AWEZNQCLSA-N	377.809	3.882	5	40	GHBB	
COCCCn1c(-c2ccccc2Cl)nc2oc3ccccc3c(=O)c2c1=O	2436953	DBJYQEQPXNVPIH-UHFFFAOYSA-N	396.830	3.860	5	40	GHBB	
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	5508544	PIBGKEXGMSNNDO-LLVKDONJSA-N	390.779	3.635	5	40	GHBB	
Cc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1	8586527	UMHBINDNDGXHIR-UHFFFAOYSA-N	377.400	3.910	5	40	GHBB	
CC(C)(C)NC(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1	12891975	LSOOAOYEHLVBIL-UHFFFAOYSA-N	387.461	3.854	5	40	GHBB	
O=c1c([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)c2ccccc2)nc2ccccn12	12950121	TXZZJVVKNUINEC-SFHVURJKSA-N	386.411	3.999	5	40	GHBB	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cn1	13008242	PHYKPEZTMGCDQC-UHFFFAOYSA-N	388.733	3.737	5	40	GHBB	
CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1C	24575339	HXRFVPJUOIDCKL-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
CC1CCN([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)CC1	28416847	AZIAETNWFBRIDK-LPHOPBHVSA-N	393.553	3.948	5	40	GHBB	
Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccccc2[N+](=O)[O-])c1Cl	45630977	YTCGKCWWCXUOOH-UHFFFAOYSA-N	376.583	3.889	5	40	GHBB	
O=C(Nc1ccc2oc(=O)ccc2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	48375217	CPDSUQRPFBQVQI-UHFFFAOYSA-N	393.399	3.556	5	40	GHBB	
O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	107723923	KCWAJOCACADMGS-UHFFFAOYSA-N	383.385	3.687	5	40	GHBB	
CCOc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC	217871659	DBZLAUITFUMQED-UHFFFAOYSA-N	378.812	3.976	5	40	GHBB	
CCCOC(=O)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1	408729625	CUTQSMXDRXCVKQ-BOPFTXTBSA-N	380.356	3.506	5	40	GHBB	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Br	6846890	HZZSTUHRCJBSFW-UHFFFAOYSA-N	396.153	3.526	5	40	GHBB	
C[C@@H]1CCCC[C@H]1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7526240	SFIHPIFGKVQJAY-MWLCHTKSSA-N	376.404	3.983	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl	12533207	HTACXXICQGESRF-UHFFFAOYSA-N	375.690	3.680	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	12864285	FQHBEPZMPQPTTB-UHFFFAOYSA-N	385.464	3.564	5	40	GHBB	
CCNc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-]	5267574	BWSLSWREFXOOIR-AWEZNQCLSA-N	379.420	3.703	5	40	GHBB	
COc1cccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1	4650868	FNWZABHTRYLBCB-UHFFFAOYSA-N	396.447	3.978	5	40	GHBB	
C[N+](C)(C)CCSC(=O)CCCCCCCC(=O)SCC[N+](C)(C)C	4813607	WFFNDMAGAHIYQU-UHFFFAOYSA-N	392.675	3.649	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F	16695712	QYURXZZJNIILIQ-ZDUSSCGKSA-N	399.369	3.772	5	40	GHBB	
CCC1(CC)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1	225767259	QGDGQGWJXNXEKN-QGZVFWFLSA-N	390.461	3.956	5	40	GHBB	
COc1ccccc1NC(=O)CSc1nccn1-c1ccc([N+](=O)[O-])cc1	2723735	SVJGPCNYMSRUQK-UHFFFAOYSA-N	384.417	3.520	5	40	GHBB	
O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-]	9232566	OLQFYPSTLKAQCS-OQLLNIDSSA-N	385.357	3.740	5	40	GHBB	
CCCc1cc(=O)[nH]c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1	9644475	DXCCGHYEPTUWBO-SNVBAGLBSA-N	387.421	3.534	5	40	GHBB	
O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408628208	QVTPZBHQKKQUSM-UHFFFAOYSA-N	381.413	3.659	5	40	GHBB	
CC(=O)Nc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	1475801	ADPTVMPQLTWEGP-UHFFFAOYSA-N	397.309	3.590	5	40	GHBB	
CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCC2	2754148	MXIOANQSIPZBJN-SOFGYWHQSA-N	376.390	3.567	5	40	GHBB	
COc1ccccc1Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1	9489226	DJRFTFWBPHYGBV-UHFFFAOYSA-N	384.417	3.606	5	40	GHBB	
O=c1c2ccccc2nc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1	13942968	RCONHQWYGRJRQN-UHFFFAOYSA-N	388.339	3.869	5	40	GHBB	
O=C(Cc1csc(-c2ccccc2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	32994619	UKNVUWDDYXVVTP-UHFFFAOYSA-N	397.412	3.671	5	40	GHBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	32994636	ASOXBRAJQSSNTH-UHFFFAOYSA-N	392.795	3.816	5	40	GHBB	
CC(C)c1ccc(/C=C/C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1	408626865	IZLBPBKAQFLSMV-LFYBBSHMSA-N	384.461	3.749	5	40	GHBB	
O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1cccc([N+](=O)[O-])c1	828238	HIJBIFCQDHMEPI-UHFFFAOYSA-N	384.171	3.707	5	40	GHBB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC(=O)N1C	1082692	PPRJVZXWFZCHBN-IBGZPJMESA-N	395.415	3.617	5	40	GHBB	
C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1	12553292	PMOASYDXWLRROW-CYBMUJFWSA-N	389.402	3.967	5	40	GHBB	
CCN(C(=O)COc1cc([N+](=O)[O-])ccc1OC)c1nc2ccccc2s1	12950329	LGKATKIIQLYKJL-UHFFFAOYSA-N	387.417	3.645	5	40	GHBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cccc3ccccc13)[C@H]1CCCN12	408566845	PMPHGFYWKQPESJ-AZKZNFPZSA-N	399.450	3.894	5	40	GHBB	
CCNc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-]	5267576	BWSLSWREFXOOIR-CQSZACIVSA-N	379.420	3.703	5	40	GHBB	
CCCCOc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OCC	409345665	ISNNWHUODLYARS-VQHVLOKHSA-N	375.381	3.544	5	40	GHBB	
COC(=O)C1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1	13673803	OOVVERSZOWVIDI-HMMYKYKNSA-N	394.427	3.547	5	40	GHBB	
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)Nc1cccc(F)c1	5107888	CVAUZYLCDHFLGL-UHFFFAOYSA-N	384.392	3.922	5	40	GHBB	
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1cccc([N+](=O)[O-])c1	3343552	PEIQDQNSDLJUOL-UHFFFAOYSA-N	393.494	3.922	5	40	GHBB	
CC(=O)c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1	8190634	KCYBUXIXWCXBRT-UHFFFAOYSA-N	389.307	3.883	5	40	GHBB	
COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1	9983403	LOSDDYLQVBQWRM-BJMVGYQFSA-N	394.427	3.738	5	40	GHBB	
CC(C)c1ccc(-c2nonc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1	13723267	COOZFYXBAIDTSD-UHFFFAOYSA-N	382.376	3.786	5	40	GHBB	
O=CNc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1	16431327	JYUATOVAHMEBAG-UHFFFAOYSA-N	376.375	3.832	5	40	GHBB	
COc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	20528442	VMAOENHVHNVULJ-UHFFFAOYSA-N	397.343	3.926	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2n[nH]c(COc3ccc(Br)cc3)n2)c1	40169569	UGDFTQGFSPPBQP-UHFFFAOYSA-N	375.182	3.721	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(c1ccccc1)c1ccccc1	3300769	MEOQMRKYBXBAHE-UHFFFAOYSA-N	396.424	3.719	5	40	GHBB	
CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12	4130173	TVELOQVLHPVBCH-YJYMSZOUSA-N	399.476	3.686	5	40	GHBB	
Cc1ccc2ccc(OC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)cc2n1	11565642	XFDZCMXIWRIVQP-UHFFFAOYSA-N	376.324	3.777	5	40	GHBB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C2(c1ccccc1)c1ccccc1	12376033	VIKJLCJUQRXXGR-BGYRXZFFSA-N	384.391	3.700	5	40	GHBB	
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccc([N+](=O)[O-])c1	40081784	VSEICDNODRHUEN-LJQANCHMSA-N	376.416	3.647	5	40	GHBB	
O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1	55454363	YXDGHPFOKCYODY-UHFFFAOYSA-N	397.406	3.693	5	40	GHBB	
CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])cn1	193409954	YJXCRJSEYIRDRE-UHFFFAOYSA-N	391.840	3.985	5	40	GHBB	
COc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c(OC)c1	1104427	SMYMDDLTVZHVBM-CHHVJCJISA-N	388.763	3.610	5	40	GHBB	
COc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1	4958717	ZSIAWMKBLCFNMY-UHFFFAOYSA-N	396.403	3.704	5	40	GHBB	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	6602580	KQPRPFHYHWYBJM-UHFFFAOYSA-N	383.282	3.794	5	40	GHBB	
COc1cc(CNc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2F)ccc1OC(F)F	58142670	ALGMWGZVFGZOEJ-UHFFFAOYSA-N	387.270	3.864	5	40	GHBB	
COc1ccccc1N1C(=S)N[C@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C	100889695	DXUIUDVROAUKBA-JPJOULJCSA-N	385.445	3.784	5	40	GHBB	
Cc1cccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1	218052987	UPYTUSOFZKRJFC-UHFFFAOYSA-N	398.444	3.503	5	40	GHBB	
COc1nn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c(C)c1[N+](=O)[O-]	2498224	FOKBOFKXDHMHGE-UHFFFAOYSA-N	385.327	3.635	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccc(Cl)c2)CC1	23639477	MYCZICKQMBPCMB-UHFFFAOYSA-N	394.258	3.860	5	40	GHBB	
CCCOc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC	2313218	PXQDBFFOLTUKLM-YBEGLDIGSA-N	382.372	3.737	5	40	GHBB	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)ccc1[N+](=O)[O-]	13141371	AQQCXRMHTJGERH-UHFFFAOYSA-N	391.309	3.755	5	40	GHBB	
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	408628434	SYUMPFGSOWWLDA-UHFFFAOYSA-N	397.412	3.589	5	40	GHBB	
CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1	218126281	PCQHDGMHQYZBJO-INIZCTEOSA-N	396.852	3.533	5	40	GHBB	
CCn1ncc2ccc(NC(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cc21	1623000412	IXRDWXFMHVOHCB-UHFFFAOYSA-N	391.391	3.999	5	40	GHBB	
O=C(O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCO2	1716401	CYBXTLNYKZUINH-VZUCSPMQSA-N	392.161	3.711	5	40	GHBB	
O=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	40157751	MQRDQOVSSOOUAR-UHFFFAOYSA-N	379.372	3.554	5	40	GHBB	
CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1/C=C/Nc1cccnc1	100324741	WGQROCJVFHFAKE-PKNBQFBNSA-N	387.395	3.996	5	40	GHBB	
CCOc1ccccc1C(=O)N1CCN=C1SCc1cccc([N+](=O)[O-])c1	4120652	ZPCSRHQXFVPMSK-UHFFFAOYSA-N	385.445	3.739	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Nc1ccc2nc(C)sc2c1	9338706	JQAPBIGEEFSWLM-JTQLQIEISA-N	386.433	3.961	5	40	GHBB	
Cc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-]	10543260	LAHCDFXHNNFHRZ-UHFFFAOYSA-N	392.477	3.602	5	40	GHBB	
CC1(C)Cc2cccc(OCCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2O1	32050565	GMMLOFNXEXXBJU-UHFFFAOYSA-N	390.823	3.771	5	40	GHBB	
Cc1nc2ccccc2nc1COC(=O)CCCNc1ccccc1[N+](=O)[O-]	32747448	XGJXHMVRBAASOV-UHFFFAOYSA-N	380.404	3.782	5	40	GHBB	
CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	40149278	XBRPZNHAISPXOR-UHFFFAOYSA-N	381.392	3.962	5	40	GHBB	
Cc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	3196987	QDHLBRHTTWOCTG-UHFFFAOYSA-N	386.363	3.935	5	40	GHBB	
O=C(CSc1nnc2sc3ccccc3n12)Nc1ccccc1[N+](=O)[O-]	4618762	RANVRRRCVLEVOG-UHFFFAOYSA-N	385.430	3.583	5	40	GHBB	
CS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1	22957028	XVPHLMYYIJTCGD-UHFFFAOYSA-N	375.431	3.540	5	40	GHBB	
CNC(=O)c1ccc(N(C[C@@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])c1	72301704	FXCFEFCCEHTXOS-PREGVCBESA-N	375.469	3.519	5	40	GHBB	
C[C@@H]1CCN(C(=O)CSc2ncccc2[N+](=O)[O-])c2ccccc2S1	84700091	VMTMEJMCQJUZRZ-GFCCVEGCSA-N	375.475	3.999	5	40	GHBB	
COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC1=O)=C2	96939754	SJCBELWWFAYDRP-CAOOACKPSA-N	392.367	3.575	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nc3ccccc3s2)C1	12989370	ZEWNFSSCIOYPIZ-ZDUSSCGKSA-N	383.429	3.930	5	40	GHBB	
Cc1c(C(=O)Nc2ccc(Br)cc2C(=O)O)cccc1[N+](=O)[O-]	705652	JHGPLOLPOAWMEH-UHFFFAOYSA-N	379.166	3.616	5	40	GHBB	
O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1cccc([N+](=O)[O-])c1	845457	CUXQAQSPRRZJSK-GOSISDBHSA-N	382.397	3.589	5	40	GHBB	
O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc([N+](=O)[O-])cc1	408946972	NEQIZNAMUMHJAX-UHFFFAOYSA-N	385.401	3.526	5	40	GHBB	
Cc1csc(Sc2ccc(C(=O)NCC(F)(F)F)cc2[N+](=O)[O-])n1	44195692	MLURTPLRBHQQTA-UHFFFAOYSA-N	377.369	3.803	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-]	5101139	GRAKPDRBNDUAAB-MRXNPFEDSA-N	398.893	3.993	5	40	GHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C2(c1ccccc1)c1ccccc1	100090848	VIKJLCJUQRXXGR-PMACEKPBSA-N	384.391	3.700	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2ccc(Cl)cc2)c1=O	5269321	BDHVEPJDOHMARD-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=[N+]([O-])c1cc(I)c(Oc2ccccc2)c([N+](=O)[O-])c1	2184379	VDTKZNVXBILUPJ-UHFFFAOYSA-N	386.101	3.900	5	40	GHBB	
COC(=O)c1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1	3197127	KEHIDNYWSWXEEC-VMPITWQZSA-N	383.385	3.643	5	40	GHBB	
CN(C)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-]	10993990	GLWFKNDSDZBNMD-UHFFFAOYSA-N	379.416	3.623	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C	32801595	KLWMSZMXOGZPPZ-CQSZACIVSA-N	394.431	3.897	5	40	GHBB	
Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1	217891649	ZNLVLRKGSUQOHU-MDZDMXLPSA-N	378.388	3.625	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21)c1ccccc1	409368458	WXZLVQISIBVQFL-QCFAMHMHSA-N	386.407	3.990	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nn3c(CSCCc4ccccc4)nnc3s2)o1	1501039874	CNAGDLXCEMKFRU-UHFFFAOYSA-N	387.446	3.830	5	40	GHBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccc2cccnc12	14253910	UBIJJSYWPPIIAT-AWEZNQCLSA-N	381.457	3.983	5	40	GHBB	
CN(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1	225506318	XDXQLAPHCUAAHL-UHFFFAOYSA-N	397.475	3.986	5	40	GHBB	
Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	40081498	VDXPOMKPKMTBTK-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
O=C(NCC1CCCCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	84351069	RRSARVNDEUBTPO-UHFFFAOYSA-N	375.469	3.522	5	40	GHBB	
COc1ccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])N2CCCCC2)cc1	32806258	VYFUHFJOYMEIQD-GOSISDBHSA-N	395.463	3.890	5	40	GHBB	
Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2c3c(c(=O)oc2c1)CCC3	5390060	ZKKSARIWOIYCTC-UHFFFAOYSA-N	394.383	3.516	5	40	GHBB	
COc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1	24774726	OIHXQFAUDBLJQJ-YWZLYKJASA-N	398.463	3.951	5	40	GHBB	
COC(=O)c1cc(N[C@H](CN2CCCC2)c2ccc(OC)cc2)ccc1[N+](=O)[O-]	95468675	GXRICNZVJLOURY-LJQANCHMSA-N	399.447	3.639	5	40	GHBB	
Cc1cc(C(=O)Oc2ccc(I)cc2)ccc1[N+](=O)[O-]	1100772	JIDQHMCNOLNIQB-UHFFFAOYSA-N	383.141	3.727	5	40	GHBB	
CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4676053	FMZIQBWMDHISBE-GXOAENINSA-N	390.480	3.995	5	40	GHBB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1C	7757977	RMEHSKLIVOEOLY-LLVKDONJSA-N	378.356	3.506	5	40	GHBB	
Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	8367258	UFZRILQPAHVZHT-UHFFFAOYSA-N	379.372	3.679	5	40	GHBB	
CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	8449039	DZSCLXHWVXTJHI-CYBMUJFWSA-N	384.388	3.618	5	40	GHBB	
Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C	15549086	RTNHQXKYNBWZBV-CQSZACIVSA-N	386.408	3.751	5	40	GHBB	
Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])n2)c1	19927549	USKRNTCKGIPLIG-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=[N+]([O-])c1ccc2cnn(CN3CCC(c4nc5ccccc5o4)CC3)c2c1	23990791	VEUDGWAPBHTZBN-UHFFFAOYSA-N	377.404	3.923	5	40	GHBB	
O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1	35672356	PLNOMYAYPQLELK-UHFFFAOYSA-N	381.388	3.521	5	40	GHBB	
CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	222757897	DOCAOIJOUBPSOU-MSOLQXFVSA-N	380.429	3.852	5	40	GHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c1	223735930	QOEVNAZLLBQLQI-UHFFFAOYSA-N	384.413	3.866	5	40	GHBB	
Nc1nnc(Sc2c(-c3ccccc3)c3ccc([N+](=O)[O-])cc3[nH]c2=O)s1	4735028	SIPJPFUPDXLJNY-UHFFFAOYSA-N	397.441	3.688	5	40	GHBB	
Cc1c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-]	7525903	VXNXNJMYCYAAPW-UHFFFAOYSA-N	385.464	3.564	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7927932	QNUPEQKFOGCYGX-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccc(F)c(F)c2)no1	12111655	MCFWRPLLXAMQDE-UHFFFAOYSA-N	375.287	3.546	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCC2)nc1	14900537	AKCZGXSYPNACQT-UHFFFAOYSA-N	398.466	3.789	5	40	GHBB	
Cc1cnc2c(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Cl)cccc2c1	29225190	APCSYBMAXNFIGG-UHFFFAOYSA-N	378.793	3.873	5	40	GHBB	
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1	32674839	GNZPTJVYMZGAJB-MRXNPFEDSA-N	381.457	3.814	5	40	GHBB	
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1cccs1	36652407	PTZPWWGZHXKUSV-UHFFFAOYSA-N	386.458	3.522	5	40	GHBB	
COc1cc(Br)c(COC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	1085088	HJWGKDQTTARZIX-UHFFFAOYSA-N	396.193	3.732	5	40	GHBB	
Cc1cccc(C(=O)NC(=S)/N=c2/[nH]c(-c3ccc([N+](=O)[O-])cc3)cs2)c1	3768053	HFYNSZRGJJQDQC-UHFFFAOYSA-N	398.469	3.575	5	40	GHBB	
Cc1cccnc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	6268538	PSMGAAWXKFDHFA-UHFFFAOYSA-N	382.401	3.685	5	40	GHBB	
CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1	7069351	SREHPIAXVJLWOO-CQSZACIVSA-N	388.493	3.876	5	40	GHBB	
COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C(=O)OC)c1	7983129	NSZKFZLYTHPFHW-UHFFFAOYSA-N	399.277	3.979	5	40	GHBB	
Cc1c(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cccc1[N+](=O)[O-]	8548506	KRJBKKXFIMTBAP-UHFFFAOYSA-N	387.396	3.558	5	40	GHBB	
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1	408576695	YCDPGAOWYBALNK-KRWDZBQOSA-N	388.424	3.834	5	40	GHBB	
COc1cccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1	928990	FNJBHEWKDFILEI-UHFFFAOYSA-N	386.433	3.603	5	40	GHBB	
CCOc1c(Cl)cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1OC	6870201	ISAYZAUAZDNDIM-UHFFFAOYSA-N	379.844	3.857	5	40	GHBB	
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)OC(F)(F)O2	58357526	RPLDLBOYCUVTKD-UHFFFAOYSA-N	375.287	3.510	5	40	GHBB	
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC(F)F	72303519	KONJBRXWFYAGLX-UHFFFAOYSA-N	386.358	3.688	5	40	GHBB	
CC[C@H](C)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1	20611850	YVOLAIQLIIKRCL-HNNXBMFYSA-N	399.447	3.861	5	40	GHBB	
CCCOc1ccc(Br)cc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-]	409322083	WHFYANZXIOZFGW-HYXAFXHYSA-N	396.197	3.518	5	40	GHBB	
Cc1cccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2=O)c1	5269735	DKZQJQWGIPPDRA-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1cccc(Br)c1	856195	ZMZXQLHYLYSPCB-MRXNPFEDSA-N	390.193	3.596	5	40	GHBB	
Cc1cccc(OCCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1	4979700	OVLMBCJTYRLDNM-UHFFFAOYSA-N	392.795	3.507	5	40	GHBB	
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	6175868	TZGNYEXCGRAUAD-KRWDZBQOSA-N	394.214	3.869	5	40	GHBB	
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-]	6991237	DAYBYWSNTLPKSI-NSHDSACASA-N	389.408	3.942	5	40	GHBB	
Cc1oc(C)c(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1C	24799914	JXNOEEQWWIWELS-UHFFFAOYSA-N	377.828	3.729	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccsc1	29623249	NAIKDFCPWPUIKY-INIZCTEOSA-N	387.417	3.716	5	40	GHBB	
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1F)C1CC1	40114955	PKBFRSVLINXRGV-UHFFFAOYSA-N	382.395	3.665	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CN3CCn4cccc4[C@H]3c3ccccc3)c1)OCOC2	48332331	SOIWIYSJGVPYMF-OAQYLSRUSA-N	391.427	3.868	5	40	GHBB	
O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@@H]1C[C@H]1[N+](=O)[O-]	105664750	ICBSIEOIQLMMSU-SPYBWZPUSA-N	383.835	3.735	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1	7361012	DJVULDUSKZFNDP-UHFFFAOYSA-N	380.422	3.536	5	40	GHBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	8161273	RYJXMIHMCZICAC-IFXJQAMLSA-N	386.404	3.559	5	40	GHBB	
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C	24572387	HZFPJKFZPNUONN-UHFFFAOYSA-N	394.387	3.518	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)c1C	12853170	QOCXAGAWGXGXAS-OAHLLOKOSA-N	378.475	3.727	5	40	GHBB	
COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1OC1CCCC1	24509763	XBDZSFSYABTOOO-UHFFFAOYSA-N	386.404	3.942	5	40	GHBB	
COc1ccccc1[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	12562394	KYQVSZGSOVLBQO-OAHLLOKOSA-N	383.448	3.697	5	40	GHBB	
Cc1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2C)c1	2649982	IDCXRIALZSPEEW-UHFFFAOYSA-N	398.444	3.858	5	40	GHBB	
CCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1	408629086	ZCRGXFFSQSYTGJ-UHFFFAOYSA-N	389.433	3.519	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1	6658875	HSYYQEYXSAOILU-UHFFFAOYSA-N	383.433	3.604	5	40	GHBB	
COc1ccc(NC(=O)CN(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	8051801	ZOEIXCPDKPPADE-UHFFFAOYSA-N	383.326	3.697	5	40	GHBB	
COc1ccc(Cc2nnc3sc(-c4ccc([N+](=O)[O-])c(C)c4)nn23)cc1	8392897	IDTUZBHNYIAUNI-UHFFFAOYSA-N	381.417	3.669	5	40	GHBB	
CC(C)(C)OC(=O)NCCCOc1cc([N+](=O)[O-])ccc1Br	96029636	HSNAALPBDQURFA-UHFFFAOYSA-N	375.219	3.651	5	40	GHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccc(C)c1	4996706	BIXRBEZLDNXWOT-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	3242287	USEMGLRWCOHLJK-UHFFFAOYSA-N	392.795	3.588	5	40	GHBB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1	5525456	HIKQRUATTDDDTQ-IWWVCJNBSA-N	377.444	3.751	5	40	GHBB	
COCCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409248078	FVBBMIZJMDGMTN-WJDWOHSUSA-N	388.401	3.928	5	40	GHBB	
Cc1ccc(CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1	5107670	OPXXFVATECZZTA-UHFFFAOYSA-N	398.444	3.817	5	40	GHBB	
CC(C)Oc1ccc(CNC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1	72329430	KICAWXJXKZXRKC-UHFFFAOYSA-N	380.404	3.702	5	40	GHBB	
Cn1/c(=N/C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2cc(F)cc(F)c21	100909512	HCVBMLPDLJUXHW-CYVLTUHYSA-N	383.763	3.821	5	40	GHBB	
O=c1ccc(-c2ccc(Br)cc2)nn1Cc1cccc([N+](=O)[O-])c1	5398099	MYRLQZYQGZDLRZ-UHFFFAOYSA-N	386.205	3.629	5	40	GHBB	
O=C(Oc1cc(Cl)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	6220840	AYNHWJXYGYJYMH-UHFFFAOYSA-N	397.214	3.957	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1	8209427	VDCVAXTZFMBOGR-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
COc1ccc(NC(=O)c2cc(Br)cc(C)c2OC)cc1[N+](=O)[O-]	8549110	PVULZHRIBSBUFI-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	9062474	OMUZHYYQACKFLL-UHFFFAOYSA-N	397.416	3.714	5	40	GHBB	
COc1ccccc1NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	34803611	ZXIWCRHZTLVZEY-VQIMIIECSA-N	381.432	3.773	5	40	GHBB	
C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	40116705	LJCSDLPCTUYMHU-QGZVFWFLSA-N	393.321	3.581	5	40	GHBB	
CCOc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1[N+](=O)[O-]	44048062	NNLRROAAGDJYRW-UHFFFAOYSA-N	380.404	3.799	5	40	GHBB	
COc1cc(CO)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409122548	ZKSLLBSMDVKJAJ-UHFFFAOYSA-N	399.153	3.559	5	40	GHBB	
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Cl	5126861	HWUYZAGVUYMOKV-UHFFFAOYSA-N	392.839	3.946	5	40	GHBB	
COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)n2)cc1	5527142	PIFXAAUREQBWER-UHFFFAOYSA-N	399.384	3.677	5	40	GHBB	
O=C1/C(=C/Nc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1c1nccs1	6476390	RORNUQFJRWIIRK-SDNWHVSQSA-N	392.396	3.691	5	40	GHBB	
Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	12563382	XJSVRSFVXDPSKX-UHFFFAOYSA-N	390.443	3.722	5	40	GHBB	
O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	28468316	ZMNFXOXJQDLAAP-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
CC1=C(C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	5275359	FODMUZXEMOEGDM-CWRJPMGBSA-N	387.436	3.591	5	40	GHBB	
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-]	408628029	PQBQSUPTJBGWGH-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	4740698	XCSOHHZMEHXNAM-UHFFFAOYSA-N	377.780	3.832	5	40	GHBB	
O=[N+]([O-])c1cccc([C@@H](c2nnnn2-c2cccc(Cl)c2)N2CCCCC2)c1	55190180	DJFUCAFAMRCVNY-SFHVURJKSA-N	398.854	3.799	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CC(=O)O)cc2)CC1	20142838	PENINWDAFICMRK-UHFFFAOYSA-N	397.431	3.711	5	40	GHBB	
Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1[N+](=O)[O-]	1455380	CAYMEQDZJIWRFN-UHFFFAOYSA-N	383.282	3.712	5	40	GHBB	
O=C(COc1ccc(Cl)cc1Cl)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3092380	DGUOMDRUJLSQRF-UHFFFAOYSA-N	387.131	3.794	5	40	GHBB	
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	4684712	FNTPBNXDISNVGH-GOSISDBHSA-N	378.388	3.797	5	40	GHBB	
COc1ccccc1NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	18174094	NOJLJOXHULGVKG-UHFFFAOYSA-N	398.341	3.856	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2	29797610	KZJCZUASGLLTOH-QGZVFWFLSA-N	382.416	3.662	5	40	GHBB	
Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-]	408641117	KOGIDBZDSGKGEY-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-]	5576442	WGTAFPKQSJRANE-UHFFFAOYSA-N	390.808	3.747	5	40	GHBB	
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	6441666	XEBCMOPXIYVPQV-UHFFFAOYSA-N	381.344	3.701	5	40	GHBB	
Cc1c(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cccc1[N+](=O)[O-]	8393356	MIKOIQSGKNRHFN-UHFFFAOYSA-N	385.380	3.788	5	40	GHBB	
COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	222964436	RMZORFUWPAMRIX-ZDUSSCGKSA-N	390.461	3.723	5	40	GHBB	
O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408642397	ONOHPWKFGWSOLU-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl	7928483	HOVAHUCVWWSDOK-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cccc([N+](=O)[O-])c1	10139833	ZLYVQEXBKYSCOL-UHFFFAOYSA-N	378.432	3.894	5	40	GHBB	
Cc1nnc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)O)[nH]1	8490647	MLGSZLJNUAECJK-NVNXTCNLSA-N	386.389	3.808	5	40	GHBB	
C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1Cl	3390000	FJSQWXWKKIBJOZ-VCFDLTMXSA-N	392.770	3.971	5	40	GHBB	
Cc1ccccc1-n1c(C)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2	3424324	FBYPRJPDINZALU-UHFFFAOYSA-N	398.444	3.951	5	40	GHBB	
CCc1cccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1	12952862	ZYTLWEGSVVVIDN-CRAIPNDOSA-N	395.459	3.730	5	40	GHBB	
C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)Nc1ccc([N+](=O)[O-])cc1	7813747	JJJQYUVUZPEDGQ-QMMMGPOBSA-N	398.202	3.668	5	40	GHBB	
O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1	7852182	RSHPVXWSAXYUIY-UHFFFAOYSA-N	397.338	3.761	5	40	GHBB	
COc1ccc(Cc2nnc3sc(-c4ccc(C)c([N+](=O)[O-])c4)nn23)cc1	8392895	PUBNHZYBEJRVIK-UHFFFAOYSA-N	381.417	3.669	5	40	GHBB	
O=C(NCCCn1ccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	408574323	HAAOBDZDHCGTGM-HMMYKYKNSA-N	376.416	3.538	5	40	GHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1	409153523	DFRUKTVBJNEBMH-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1	36798503	MANUABDZPHGWGI-UHFFFAOYSA-N	397.456	3.863	5	40	GHBB	
COc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	48200856	SWIQIVVTXMXIJJ-MRXNPFEDSA-N	398.440	3.795	5	40	GHBB	
CCCCc1nnc2n1N1C(=CS[C@H]1c1ccc(O)c([N+](=O)[O-])c1)S2	20730643	HYRXSKRPAHBZLZ-AWEZNQCLSA-N	377.451	3.523	5	40	GHBB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	4976327	MDLXPFMPZJKWCK-UHFFFAOYSA-N	397.460	3.528	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C1	5032804	LYBXZJIVDKLSHV-GHMZBOCLSA-N	376.848	3.846	5	40	GHBB	
CCC[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1	5469663	VTDKGROEQVMLOL-LLVKDONJSA-N	387.461	3.913	5	40	GHBB	
C[C@H](OC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	7975367	JKOWBKWFHYIQAO-QMMMGPOBSA-N	399.186	3.791	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1	12752028	FHXLLQRSLUEUDW-HNNXBMFYSA-N	389.458	3.730	5	40	GHBB	
CCOC(=O)c1c(C)oc2ccc(Oc3ncc([N+](=O)[O-])c(NC4CC4)n3)cc12	36391436	HPZZZKSBHGQFMW-UHFFFAOYSA-N	398.375	3.983	5	40	GHBB	
C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57452050	WWUKVTDVTXHROX-ZDUSSCGKSA-N	385.449	3.590	5	40	GHBB	
O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCOCC2)c2ncccc12	29874868	FSHMYXACVBECIV-UHFFFAOYSA-N	378.432	3.587	5	40	GHBB	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]	6942233	XIBZKMWBAMPCHZ-UHFFFAOYSA-N	384.367	3.554	5	40	GHBB	
COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1[N+](=O)[O-]	20142498	GBFIQNRCFVJBFZ-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1	5793127	CMGLCNFXEJLAKH-UHFFFAOYSA-N	395.371	3.766	5	40	GHBB	
COc1ccc(CC(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1C	13971621	OYJTUCSDNOHXRH-UHFFFAOYSA-N	387.417	3.711	5	40	GHBB	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])s1	4275377	QAFPZGSWXNCSGR-UHFFFAOYSA-N	389.414	3.803	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-]	8560759	YGTTXBGNBJJWLV-QPJJXVBHSA-N	377.740	3.817	5	40	GHBB	
COc1cc(Br)c(OC)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	13002799	PMZAQSKXGCOOFW-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
O=C(c1ccco1)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	25072502	XUAPPSAHSTZCKN-UHFFFAOYSA-N	383.326	3.923	5	40	GHBB	
CCNc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(=O)oc2ccccc12	101093519	FYGZWRNYGPXEPB-UHFFFAOYSA-N	398.375	3.786	5	40	GHBB	
COc1ccc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1	6249485	VAGRMKHVQWOYMT-HNNXBMFYSA-N	383.448	3.770	5	40	GHBB	
O=C(OCc1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	25054523	QNUDWFVSJOVWDJ-UHFFFAOYSA-N	392.415	3.738	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	39752572	JKKUUSOWQPISTE-RUDMXATFSA-N	397.372	3.673	5	40	GHBB	
CS(=O)(=O)c1cccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1	12821424	OGWUZCQIMMYTAF-UHFFFAOYSA-N	389.216	3.557	5	40	GHBB	
COc1cc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1OC(F)F	3378104	PLVWIBWADHJQQG-XVNBXDOJSA-N	382.294	3.996	5	40	GHBB	
O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	3544152	UPOYBHBPTYJXOB-UHFFFAOYSA-N	389.824	3.560	5	40	GHBB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccco2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN21	4886847	GYTQWQDOZABPNL-TUFLPTIASA-N	387.395	3.664	5	40	GHBB	
O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7882614	JFUHUEKECOPATM-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
CN(CCOc1ccc(Br)cc1)C(=O)c1ccccc1[N+](=O)[O-]	23562626	AJKKRQZDOMBGKB-UHFFFAOYSA-N	379.210	3.508	5	40	GHBB	
CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1	862099	ZDBHKDIEVYQSJY-UHFFFAOYSA-N	390.465	3.841	5	40	GHBB	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	3262111	ALMXQZMYLWCKAM-SFHVURJKSA-N	386.404	3.589	5	40	GHBB	
CCOc1cccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)c1	4647443	YAHAPZPYIIWDLP-UHFFFAOYSA-N	381.417	3.610	5	40	GHBB	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	8349287	XSXMSPAOXREVSU-LBPRGKRZSA-N	385.811	3.662	5	40	GHBB	
O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	31390775	MMYWCWIIMSLYBX-UHFFFAOYSA-N	393.871	3.503	5	40	GHBB	
Cc1c(CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cccc1[N+](=O)[O-]	47354314	NIUGOXZXDRZULR-FQEVSTJZSA-N	379.372	3.617	5	40	GHBB	
O=C(Nc1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	6597734	RLASLENQJFHORK-UHFFFAOYSA-N	382.397	3.680	5	40	GHBB	
Cc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)c1	59488924	SWIICKKIOQMZMQ-QGZVFWFLSA-N	393.321	3.513	5	40	GHBB	
COc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	3250064	GDLLCENPDSHXOO-UHFFFAOYSA-N	375.431	3.944	5	40	GHBB	
O=C(COc1ccc(F)cc1Cl)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	29274448	NVQSKYSBBAZNMT-UHFFFAOYSA-N	396.758	3.566	5	40	GHBB	
CNc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]	5363787	QURKRRZWPGGBRS-UHFFFAOYSA-N	398.202	3.739	5	40	GHBB	
CC[C@@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	6624289	BNNZZLGTCPGWHM-CQSZACIVSA-N	399.450	3.885	5	40	GHBB	biogenic
O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)ccc1Cl	7214220	PKCZBTDXBUUFEP-UHFFFAOYSA-N	394.758	3.746	5	40	GHBB	
O=C(O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	20142929	WIASFOMDJGBIFE-UHFFFAOYSA-N	389.795	3.799	5	40	GHBB	
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(C(=O)c2ccccc2)cc1	89823106	JWZHASKQVHOISS-UHFFFAOYSA-N	386.367	3.954	5	40	GHBB	
NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1	12648021	IBZRQGZVJGCUQL-UHFFFAOYSA-N	396.350	3.530	5	40	GHBB	
COc1ccc(CN(C)C(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC	20482169	SQKLYGSTEUMQOS-UHFFFAOYSA-N	390.461	3.504	5	40	GHBB	
CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224769159	HSSCLPQKXGUBDG-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1	4543587	XESUSRDIELWUEY-UHFFFAOYSA-N	393.365	3.884	5	40	GHBB	
CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	6639942	FYNQROKXRKTMAU-UHFFFAOYSA-N	377.828	3.717	5	40	GHBB	
CNc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1[N+](=O)[O-]	10899005	QDDUAKLLEBPLDZ-UHFFFAOYSA-N	382.464	3.899	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccccc2C(F)(F)F)c1C	14099044	MJIAXLIKEQBEEC-UHFFFAOYSA-N	375.324	3.998	5	40	GHBB	
C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	40116895	FPQVRXLIACNZJO-QGZVFWFLSA-N	393.321	3.581	5	40	GHBB	
C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br	45797511	OVUJDLGLXOWZGR-NSHDSACASA-N	399.266	3.538	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3nc4ccccc4o3)CC2)c2ccncc12	57373715	MDBQQQGJPJAGRO-UHFFFAOYSA-N	389.415	3.606	5	40	GHBB	
CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc([N+](=O)[O-])o2)cc1	6630406	SPPWXCYKGLKSPU-UHFFFAOYSA-N	395.371	3.607	5	40	GHBB	
CCn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nc2ccccc21	7271684	DIJYZHHFQQEZAX-UHFFFAOYSA-N	377.447	3.519	5	40	GHBB	
Cc1ccc(NC(=O)[C@@H](Sc2nncn2C)c2ccccc2)c([N+](=O)[O-])c1	5118686	IZFCHCNDQZCBFZ-INIZCTEOSA-N	383.433	3.504	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(I)cc2)c([N+](=O)[O-])c1	4834421	FFZKEYXFSONIKW-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
C[C@H](NC(=O)[C@H](C)n1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1Cl	9515791	YWRGCUMWCNZLPY-UWVGGRQHSA-N	384.219	3.502	5	40	GHBB	
COc1ccccc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(F)cc1	408569621	JWNZVDBHSKYNLE-KRWDZBQOSA-N	388.424	3.834	5	40	GHBB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])ccc3OC)N21	222655423	QYCZXBPGYMDNDQ-JBBXEZCESA-N	384.461	3.978	5	40	GHBB	
O=C(CCCc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	40140528	WUNUKEDXJZWRJK-UHFFFAOYSA-N	387.867	3.920	5	40	GHBB	
O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12	3234507	FSVWLSYWOPGGDK-OUKQBFOZSA-N	376.368	3.943	5	40	GHBB	
Cc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1F	5270764	CTNYZNFQBWWWFK-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	19315388	PDPUPERVMLOIGY-AWEZNQCLSA-N	394.686	3.897	5	40	GHBB	
COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c([N+](=O)[O-])c3C)n2)c1	2466133	VPTRLMRAWADRFS-UHFFFAOYSA-N	393.325	3.882	5	40	GHBB	
CCOCc1ccccc1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1	62580578	NLPJBUXUHMIBKB-UHFFFAOYSA-N	393.237	3.824	5	40	GHBB	
COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	222964370	RMZORFUWPAMRIX-CYBMUJFWSA-N	390.461	3.723	5	40	GHBB	
CCOCC(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12	4267923	AVGZVBZJMNHQBG-UHFFFAOYSA-N	383.360	3.568	5	40	GHBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4591295	WBAYNRYUMJJJSB-KRWDZBQOSA-N	390.823	3.746	5	40	GHBB	
C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C1	5032800	LYBXZJIVDKLSHV-QWRGUYRKSA-N	376.848	3.846	5	40	GHBB	
Cc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1C	6527725	BYHMFPCJPRCKBE-UHFFFAOYSA-N	376.796	3.589	5	40	GHBB	
C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	7975257	ZJDGDHYRCAYSAP-LLVKDONJSA-N	398.346	3.777	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(S(=O)(=O)N2CCCC2)c1	7989802	MIUFBRHPUVQTFS-UHFFFAOYSA-N	382.438	3.670	5	40	GHBB	
COc1ccc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)c([N+](=O)[O-])c3)n2)cc1	8586882	KDPPIZYZRFNVET-INIZCTEOSA-N	396.403	3.911	5	40	GHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1	16196655	UJAGMJMFYLUNJO-VIFPVBQESA-N	395.824	3.549	5	40	GHBB	
O=C(Nc1c([N+](=O)[O-])cc(Br)cc1C(F)(F)F)C(F)(F)F	72265924	RXGADRZNKGETOL-UHFFFAOYSA-N	381.026	3.877	5	40	GHBB	
CCOc1nn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-]	2466098	KANUFCYZQGJDHF-UHFFFAOYSA-N	379.298	3.655	5	40	GHBB	
Cc1ccc(-c2nc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)sc2C)cc1C	2739600	GJNXLYKYKYBIQV-UHFFFAOYSA-N	385.449	3.938	5	40	GHBB	
CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	408565966	CQGTWYBZNUGGBH-VZUCSPMQSA-N	399.399	3.832	5	40	GHBB	
COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	20140497	BWBQMNLBNLWVIX-UHFFFAOYSA-N	382.328	3.814	5	40	GHBB	
COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)c([N+](=O)[O-])cc1OC(F)F	12852673	JAXJFAVNECFAIS-UHFFFAOYSA-N	393.302	3.907	5	40	GHBB	
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc([N+](=O)[O-])c1O	15225301	BGPKGCRHDYZUCE-UHFFFAOYSA-N	387.417	3.543	5	40	GHBB	
Cc1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)n1-c1ccccc1	3447146	MCGWSNBGFDQYTK-UHFFFAOYSA-N	394.416	3.826	5	40	GHBB	
COc1cc2c(cc1[N+](=O)[O-])C(=O)C(Br)(Br)CCC2	5493210	FSROCAZULZUTJL-UHFFFAOYSA-N	393.031	3.609	5	40	GHBB	
O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1	6615757	WJEOKQMQMAURCP-UHFFFAOYSA-N	384.461	3.712	5	40	GHBB	
O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	20142722	HKGBXTSEMUESKJ-UHFFFAOYSA-N	389.795	3.799	5	40	GHBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1	48310357	OCANHHDRTPSQPM-HOTGVXAUSA-N	396.491	3.706	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1	4580380	KPJPQHHDKSRWGT-UHFFFAOYSA-N	384.885	3.743	5	40	GHBB	
CCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1	7735869	BDWZGGFFFCVQDX-UHFFFAOYSA-N	393.465	3.814	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-]	8811256	AAYPDVCJLYYVJN-UHFFFAOYSA-N	388.380	3.823	5	40	GHBB	
O=Cc1cc([N+](=O)[O-])c(SC2=NCCS2)cc1SC1=NCCS1	59596940	PMHPFFSAOHUUIS-UHFFFAOYSA-N	385.517	3.797	5	40	GHBB	
Cc1c(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)sc2ccccc12	84068163	HZHXLZDQWHTUJE-UHFFFAOYSA-N	380.223	3.960	5	40	GHBB	
O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3190439	FVKOYXKOEBBFCE-UHFFFAOYSA-N	388.339	3.869	5	40	GHBB	biogenic
CCc1ccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	26943082	POFUIYFOHRBYKG-QAPCUYQASA-N	395.459	3.730	5	40	GHBB	
COC(=O)c1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc([N+](=O)[O-])c1	40081674	KGDREVNEIBNVOT-UHFFFAOYSA-N	383.360	3.898	5	40	GHBB	
CSc1ccc(C(=O)NCCCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	72303185	VKBYLJNDCBNYKC-UHFFFAOYSA-N	382.482	3.949	5	40	GHBB	
Cc1c(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cccc1[N+](=O)[O-]	408573822	OMSXKURZZGIIFP-UHFFFAOYSA-N	394.416	3.630	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(CN2CCCC2)cc1	44857208	YLCQAMMJFNEWNO-UHFFFAOYSA-N	399.516	3.740	5	40	GHBB	
Nc1c(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc(F)cc1[N+](=O)[O-]	58456396	KUGKVDFGFDBYPD-UHFFFAOYSA-N	375.375	3.550	5	40	GHBB	
O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	3413811	ZGXZQLNSKLKRSN-QGZVFWFLSA-N	383.473	3.570	5	40	GHBB	
CCOc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1[N+](=O)[O-]	25034175	SAZVLOUJSHJQGN-UHFFFAOYSA-N	379.752	3.733	5	40	GHBB	
COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1	58133049	YMIYQAPEEOHDOH-AWEZNQCLSA-N	380.404	3.622	5	40	GHBB	
COC(=O)c1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc([N+](=O)[O-])c1	2662835	AHAAOVSMFFDNST-UHFFFAOYSA-N	398.396	3.862	5	40	GHBB	
CC(=O)c1c(C)oc2c(C)cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12	16779777	ZTXVBOHOUWJEEV-UHFFFAOYSA-N	388.401	3.961	5	40	GHBB	
C[C@@H]1Cc2cc(/C=C3/N=C(c4ccc(Cl)c([N+](=O)[O-])c4)OC3=O)ccc2O1	1439659	SDZFLIDBIVAPQZ-XBLUXWHVSA-N	384.775	3.916	5	40	GHBB	
CCN1CCc2c(sc3c2C(O)=N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	4556332	JUQMNLRCYBZEJW-KQQSKNTNSA-N	384.461	3.804	5	40	GHBB	
C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccccc1	10377701	LRZMYTQXTSOURG-HNNXBMFYSA-N	382.416	3.626	5	40	GHBB	
Cc1ccc(-c2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1	17939382	ZNBYBLXZPLRJRJ-UHFFFAOYSA-N	397.412	3.822	5	40	GHBB	
O=C(NC[C@H]1COc2ccccc2C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	50294028	DJWDAHWYBRFSDY-ZDUSSCGKSA-N	395.440	3.699	5	40	GHBB	
Cc1ccc(-n2ncc3c2ncn2nc(-c4cccc([N+](=O)[O-])c4)nc32)c(C)c1	5163529	YCYLZGNQQFKYKY-UHFFFAOYSA-N	385.387	3.655	5	40	GHBB	
C[C@H]1S[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O	5759336	NCYLDWWWWRCQQZ-XLFHBGCDSA-N	389.820	3.522	5	40	GHBB	
Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2s1	7670227	RXNGMSGWFMODPW-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
Cc1cc(C=O)c(C)n1N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	9324266	OSJDOJSQWIAYKX-UHFFFAOYSA-N	377.400	3.804	5	40	GHBB	
CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	12747213	AARCRSVAFOCOAU-MRXNPFEDSA-N	382.247	3.934	5	40	GHBB	
NC(=O)c1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12	226768250	MCWSGUPFJBRBLL-UHFFFAOYSA-N	375.340	3.597	5	40	GHBB	
C[C@H]1C[C@@H](OC[C@H](O)C[N+]2(Cc3ccccc3)CCOCC2)CC(C)(C)C1	5447212	KBXHLTQMFWDNAE-KSEOMHKRSA-N	376.561	3.626	5	40	GHBB	
Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(N)c([N+](=O)[O-])c1	69462316	NZZMXNXJHOAUSV-JTQLQIEISA-N	378.226	3.739	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N(CCO)Cc2ccccc2)c([N+](=O)[O-])c1	72272755	XXRDBQNYGRJMBT-UHFFFAOYSA-N	376.412	3.825	5	40	GHBB	
CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])o1	102943108	FYPJEIHWGLUUJM-INIZCTEOSA-N	380.356	3.894	5	40	GHBB	
C[N+](C)(CCOCCOCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1	4750952	RLRRROPDNXADDE-UHFFFAOYSA-N	386.580	3.573	5	40	GHBB	
CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)ccc12	4902637	RKUAZLOPLSYVGS-UHFFFAOYSA-N	382.372	3.671	5	40	GHBB	
COc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1	8917369	DAEGTWJWSZDMLV-UHFFFAOYSA-N	396.399	3.804	5	40	GHBB	
CNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	12791907	QKARGGOCPOBPIU-KRWDZBQOSA-N	397.431	3.775	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1C	17078860	HZVFIXJWBWPSAM-UHFFFAOYSA-N	386.458	3.948	5	40	GHBB	
C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccccc1[N+](=O)[O-]	89574032	GCTSVIDGLZNNSP-GFCCVEGCSA-N	380.356	3.638	5	40	GHBB	
CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3ccc([N+](=O)[O-])cc3)cc12	3194135	XTZSBDUTZIINDT-UHFFFAOYSA-N	399.355	3.811	5	40	GHBB	
CC(C)CCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12	5020253	UUQLWRYWBCZESN-UHFFFAOYSA-N	399.454	3.653	5	40	GHBB	
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1	8747040	IOGWPIABRUOCNY-GFCCVEGCSA-N	376.438	3.580	5	40	GHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2	12995865	NIOOQNMZMWITEL-VMSUTVGLSA-N	380.400	3.743	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1	22515946	VRVMSRHWYFSFMT-LLVKDONJSA-N	392.433	3.740	5	40	GHBB	
Cc1cc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)ccc1[N+](=O)[O-]	47407403	PILUHPOFOZZRLN-UHFFFAOYSA-N	375.812	3.947	5	40	GHBB	
O=C(NC1CCCCCC1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1	2809419	LEWGRFDYLVNUMK-UHFFFAOYSA-N	376.844	3.946	5	40	GHBB	
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1	4696176	ZLCFGIUTIVPIDX-UHFFFAOYSA-N	390.808	3.931	5	40	GHBB	
COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	5124825	KQCKJCHTNKMRDW-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
COC(=O)c1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc([N+](=O)[O-])c1	8429386	MWDTZRDZHBFHPT-UHFFFAOYSA-N	393.327	3.522	5	40	GHBB	
CN(C)C[C@@H](O)COc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	57985296	FIKXITXQZJVLCG-CQSZACIVSA-N	399.369	3.659	5	40	GHBB	
CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(C(F)(F)F)cc1	95972124	ZWQOIOWWPKYMAX-AEFFLSMTSA-N	396.365	3.785	5	40	GHBB	
C[N@@+]1(CCF)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	254132401	OATDVDIMNNZTEY-DAXLTYESSA-N	398.498	3.575	5	40	GHBB	in-man
Cc1ccc(-c2cnc(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2C)cc1C	819166	LMYSVGPLAPMHJN-UHFFFAOYSA-N	380.404	3.953	5	40	GHBB	
CC[C@H](NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2	6554941	BTSDQLJBUPOTDR-QAQURRIXSA-N	394.903	3.946	5	40	GHBB	
Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])c(O)c3)s2)cs1	12397194	RJYPAPZKNLOQKI-UHFFFAOYSA-N	389.458	3.766	5	40	GHBB	
CNC(=O)c1ccc(N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])c1	79106175	MJPFZJSIXYHSRJ-HNNXBMFYSA-N	393.447	3.930	5	40	GHBB	
Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c1	408570952	MLDRZZACFOXONM-GOSISDBHSA-N	398.444	3.723	5	40	GHBB	
O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])cc1	12888220	LJBRKNKACNORAH-UHFFFAOYSA-N	380.429	3.866	5	40	GHBB	
Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	33186638	VTPUGDMIFNZGMX-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1[N+](=O)[O-]	4305058	OWYDKIYUWPCAIE-LJQANCHMSA-N	377.400	3.722	5	40	GHBB	
Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-]	24932583	FLOHTTYGHDUUAU-IBGZPJMESA-N	390.443	3.955	5	40	GHBB	
C[C@H]1CCCN(Cc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1	32930075	NDZNXQMKDJZLHF-KRWDZBQOSA-N	381.476	3.686	5	40	GHBB	
C[C@@H]1CCCCN1Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1	32930258	NNFAXAGSORMCLW-QGZVFWFLSA-N	397.475	3.664	5	40	GHBB	
O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccccc1[N+](=O)[O-]	6884456	WTEMFTMLWNUZOR-UHFFFAOYSA-N	392.849	3.985	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)COc1ccc(C)cc1[N+](=O)[O-])O[C@H](C)C2	11066650	DCIKJXPXENAKDV-CYBMUJFWSA-N	386.404	3.643	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc(-c2ccccc2)nc1	65534146	TXXCIBMGNRKQHH-UHFFFAOYSA-N	382.807	3.977	5	40	GHBB	
O=C(CSc1nc2ncc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1	8682476	LLMQDIQQXCJSHY-UHFFFAOYSA-N	393.222	3.604	5	40	GHBB	aggregator
C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2ccccc2[nH]1	69949656	KJJVRBLROQAIQK-OAHLLOKOSA-N	396.450	3.908	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C	32801594	KLWMSZMXOGZPPZ-AWEZNQCLSA-N	394.431	3.897	5	40	GHBB	
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)nc2c1c(=O)oc1ccccc12	4108163	OZHXYRSIDYMZDR-UHFFFAOYSA-N	375.340	3.810	5	40	GHBB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1	20154218	LOXZVTHRTRJZCP-UHFFFAOYSA-N	382.464	3.554	5	40	GHBB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	6262534	UWYRDNCOMXXPNJ-ZRNYENFQSA-N	377.444	3.804	5	40	GHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	6270451	YPXQXXGYFOUMPC-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(Br)cc2Cl)c1	16091788	XWMRPGUQNBKIJO-UHFFFAOYSA-N	392.614	3.778	5	40	GHBB	
CC1CCN([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)CC1	28416836	AZIAETNWFBRIDK-APWZRJJASA-N	393.553	3.948	5	40	GHBB	
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1	408576703	YCDPGAOWYBALNK-QGZVFWFLSA-N	388.424	3.834	5	40	GHBB	
CN(C)C(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2	3100264	MNWGAZSAIBWZHE-UHFFFAOYSA-N	387.461	3.879	5	40	GHBB	
O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F	4163629	FNSPRIDGSYIFLI-MRXNPFEDSA-N	385.342	3.628	5	40	GHBB	
CCc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12	4583475	YCLRNWOCPFQJKU-UHFFFAOYSA-N	396.472	3.729	5	40	GHBB	
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1	5638077	KNZQFKJZVSLBKZ-UHFFFAOYSA-N	381.354	3.949	5	40	GHBB	
Cc1ccccc1Nc1nc(N)nc(COc2ccc([N+](=O)[O-])cc2Cl)n1	6913039	CFMPBZXGPYXQKE-UHFFFAOYSA-N	386.799	3.646	5	40	GHBB	
CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1	20611743	ZMBKMRHSGWEGEW-UHFFFAOYSA-N	399.447	3.863	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2c1cnn2Cc1ccccc1	24560221	RCNQGLYRBCJHPV-IBGZPJMESA-N	390.443	3.576	5	40	GHBB	
O=C1OCCN1c1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1	2171558	ZIPNPVBHHVXSHC-UHFFFAOYSA-N	392.340	3.573	5	40	GHBB	
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1	5295232	QOXYYIKHVWXYGI-UHFFFAOYSA-N	375.384	3.777	5	40	GHBB	
COc1cc(Br)c(OC)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	12872463	KFOGUGFVWRBJEK-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccccc1[N+](=O)[O-]	36393955	VITLLDHMCZSLOU-UHFFFAOYSA-N	383.330	3.632	5	40	GHBB	
Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c(C(N)=O)c1-c1ccccc1	2115218	SEQSMLDNOYRHHQ-VQHVLOKHSA-N	397.412	3.976	5	40	GHBB	
COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)c1	2246871	UCEBWYXHUGJOCQ-UHFFFAOYSA-N	399.454	3.948	5	40	GHBB	
O=c1[nH]c(/C=C/c2ccc(Sc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c(=O)[nH]1	6495362	DTOAVEUMBPAHCA-XVNBXDOJSA-N	391.792	3.539	5	40	GHBB	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccc(Cl)cc1Cl	6831583	XGVSBNNSMIVRKI-MRVPVSSYSA-N	390.248	3.722	5	40	GHBB	
COCCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1	11270398	RWMMDMUDZVIEJJ-VMPITWQZSA-N	395.337	3.701	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)c1ccc(F)c(F)c1	12928846	FRRJWYBHHGJNII-LLVKDONJSA-N	379.363	3.513	5	40	GHBB	
CC(C)CCOC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	850613	XCASRUDTFKBLPC-UHFFFAOYSA-N	382.372	3.598	5	40	GHBB	
COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])nc3C)n2)cc1	2466128	IJKGCIOAHZBCFK-UHFFFAOYSA-N	379.298	3.573	5	40	GHBB	
CCCCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3193643	APUNHTOSWJMJTC-UHFFFAOYSA-N	383.360	3.587	5	40	GHBB	
COc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc2ccccc12	5335015	BJVBZFMBMYZRPG-UHFFFAOYSA-N	391.427	3.719	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccccc1F	12896480	IQEHEZDHLPUKLK-SFHVURJKSA-N	399.378	3.794	5	40	GHBB	
COc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCC(C)C	32930825	JSINUMWNCOUFNQ-UHFFFAOYSA-N	386.448	3.887	5	40	GHBB	
Cc1ccc(C)c(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)c1	408526681	AECSUCFEAFXLNO-UHFFFAOYSA-N	394.343	3.796	5	40	GHBB	
Cc1c(C(=O)OCCOc2ccc(Br)cc2)cccc1[N+](=O)[O-]	3308862	NMROSXCXDSHYLB-UHFFFAOYSA-N	380.194	3.902	5	40	GHBB	
Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1C[C@H]1CCCO1	3542768	WPYRBDAUOPBQCR-OAHLLOKOSA-N	376.384	3.593	5	40	GHBB	
O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	40135126	JHOUPBUXWRBAHC-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CCOC(=O)c1ccc(-c2ccc(C(=O)OCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	4416649	VFQUPNHLZHNWDS-UHFFFAOYSA-N	388.332	3.523	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccsc2)n1	12792664	JDUDETBMWCUKHU-UHFFFAOYSA-N	375.431	3.970	5	40	GHBB	
CCOc1ccc([C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	12879066	LDSHFBDHIBXWTR-HXUWFJFHSA-N	383.448	3.793	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1cccc(Cl)c1	6581297	SSEWMMBDLIZWKB-UHFFFAOYSA-N	381.841	3.776	5	40	GHBB	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	8161142	CKIUZCFVRKTBEK-PBHICJAKSA-N	386.404	3.559	5	40	GHBB	
CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1	6158825	UOZLTIVUMHDWDQ-VMPITWQZSA-N	382.401	3.815	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-]	4176778	PEUCKTCTPARVOM-INIZCTEOSA-N	398.893	3.993	5	40	GHBB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1ccc([N+](=O)[O-])cc1	6565892	IHEWZEHGSWMOGQ-UHFFFAOYSA-N	379.294	3.707	5	40	GHBB	
O=C(Nc1ccccc1N1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	9423305	JIBNFBZUDKDHLC-UHFFFAOYSA-N	395.459	3.882	5	40	GHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3nn(C)c(C)c3Cl)nc12	17078394	JBVMTMHQDYBBIE-UHFFFAOYSA-N	383.868	3.866	5	40	GHBB	
CCOc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1	2974607	AQYJMZLHQAXLLE-QFIPXVFZSA-N	396.467	3.644	5	40	GHBB	
COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1	27662835	GFXTWAWJYOFUBO-UHFFFAOYSA-N	393.399	3.611	5	40	GHBB	
O=C(Cc1coc2ccc3ccccc3c12)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	7842700	XXIAYUZSKLAOSH-LJQANCHMSA-N	390.395	3.887	5	40	GHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C	408628219	QZDDJTMGSMIIGB-UHFFFAOYSA-N	398.488	3.939	5	40	GHBB	
CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(C)c1	223843756	OACXUJHBAAVUQX-MRXNPFEDSA-N	388.420	3.567	5	40	GHBB	
CCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	224998974	PNXBTVLMYWITMT-UHFFFAOYSA-N	385.239	3.573	5	40	GHBB	
Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	12556368	VLJNRJLVXQBBKU-UHFFFAOYSA-N	394.406	3.553	5	40	GHBB	
Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c1C	10943115	KOXDJUHVRKZSCM-UHFFFAOYSA-N	382.420	3.611	5	40	GHBB	
CCOCCCn1c(Sc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O	3323839	LYCGYEHLWHPLBQ-UHFFFAOYSA-N	385.445	3.883	5	40	GHBB	
Cc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1Cc1ccccc1	2620134	PHFDZHROXJPRSR-UHFFFAOYSA-N	398.444	3.702	5	40	GHBB	
Cn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc2cc(Cl)ccc21	48353483	HPAYKXBQJJPPFB-UHFFFAOYSA-N	376.825	3.526	5	40	GHBB	
O=C(N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccco1	787653	RNUJWGCAEZHQRV-GFCCVEGCSA-N	379.583	3.693	5	40	GHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnn2c(C(F)F)cc(C3CC3)nc12	2779281	YETNCBYKFCCPRN-UHFFFAOYSA-N	391.309	3.844	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCCOc1ccc(Br)cc1	3314490	HISZADSUFGQLJR-RUDMXATFSA-N	392.205	3.993	5	40	GHBB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1[N+](=O)[O-]	5427974	MSWBHGUTDZTHSV-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2C[C@@H]1C	7108065	FTYFZAABDLGBMN-RYUDHWBXSA-N	388.807	3.771	5	40	GHBB	
COc1ccc(CCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Br	32764553	NYPKNMXWLCOFKV-UHFFFAOYSA-N	393.237	3.962	5	40	GHBB	
Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])nc12	408625771	FNSIVDFXICIUAF-UHFFFAOYSA-N	386.458	3.948	5	40	GHBB	
CCN1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O	408996788	FAQNTRPLESPVMZ-UHFFFAOYSA-N	390.351	3.729	5	40	GHBB	
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cccc([N+](=O)[O-])c1	12554328	PNTZJDAJTHTUDA-ZDUSSCGKSA-N	393.490	3.628	5	40	GHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1c(Cl)cc(Cl)cc1Cl	3252360	NMJNBOAHCMULKY-UHFFFAOYSA-N	393.566	3.944	5	40	GHBB	
COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1	2251194	QQCIURBRWQIYSS-UHFFFAOYSA-N	399.454	3.948	5	40	GHBB	
O=C(O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	5030658	VPMWLNJETPKSSC-UHFFFAOYSA-N	376.320	3.667	5	40	GHBB	
Cc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	6523148	LYBKOCANOXAOEQ-UHFFFAOYSA-N	397.408	3.955	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1	7068795	WQHCODRKQHPQHK-OAHLLOKOSA-N	381.432	3.550	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cc(C)cc(C)c3)nc12	10010661	HSNZSDNRADEQNI-UHFFFAOYSA-N	387.417	3.847	5	40	GHBB	
O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc(F)c(F)c1F	12685981	WARHGHYKOAFEBF-DAFODLJHSA-N	380.278	3.531	5	40	GHBB	
CCN(CC)[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(OC)c1	32902749	DYWHILZUBYUGPL-QZMUEMGWSA-N	397.475	3.816	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1	40095043	UWBXCFVCXNQPBX-UHFFFAOYSA-N	380.404	3.983	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCC1	409025903	ZXDRJJFMQWJORM-UHFFFAOYSA-N	399.472	3.703	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc(F)cc1	33647964	IKSUTYAMITYHNO-UHFFFAOYSA-N	379.413	3.652	5	40	GHBB	
O=C(NCc1ccccn1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F	3015960	BOTQTUGJFBEPBH-UHFFFAOYSA-N	399.328	3.685	5	40	GHBB	
CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	4977603	MMTQGTHVORTDAA-UHFFFAOYSA-N	380.809	3.766	5	40	GHBB	
Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-]	2660851	DAPUHXYIKBCEGA-UHFFFAOYSA-N	395.444	3.616	5	40	GHBB	
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O	4477717	FHIWDEXFLGBUKA-QGZVFWFLSA-N	393.321	3.581	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	5184772	CQNZATFWOGJWID-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187927	VYHWXHWBPOKAEN-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	103970880	IWAMTCSQPDHOGF-MCZMQQNQSA-N	394.855	3.734	5	40	GHBB	
O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	878043	PSONHWIVSXFUBK-UHFFFAOYSA-N	384.461	3.712	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccccc1F	12896471	IQEHEZDHLPUKLK-GOSISDBHSA-N	399.378	3.794	5	40	GHBB	
Cc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-]	5205299	NTCDDAFPSRRVLN-UHFFFAOYSA-N	378.178	3.705	5	40	GHBB	
CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	24371704	HYKKFOFDVKMOKC-UHFFFAOYSA-N	397.460	3.777	5	40	GHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl	20144862	RGIPSULKDVTROL-UHFFFAOYSA-N	385.159	3.617	5	40	GHBB	
Cc1ccc(C)c(S(=O)(=O)CCN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1	16419834	QAWRIOLWEWNKSO-MRXNPFEDSA-N	376.478	3.678	5	40	GHBB	
O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-n2cnnn2)cc1	16680480	DRVSMXQPXOQRAP-UHFFFAOYSA-N	381.395	3.721	5	40	GHBB	
CCOC(=O)C1CCN(C(=O)Nc2cc3ccncc3c3ncccc23)CC1	33608497	TWTYJQWQKVTMKA-UHFFFAOYSA-N	378.432	3.590	5	40	GHBB	
CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	103116850	FODMUZXEMOEGDM-IOSJPCBOSA-N	387.436	3.591	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1	728708	XMWOQIOSUWFTBD-OAHLLOKOSA-N	384.866	3.685	5	40	GHBB	
O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cccc([N+](=O)[O-])c1	5637283	UXGKXHSZLGXEOC-UHFFFAOYSA-N	399.281	3.677	5	40	GHBB	
CC(C)C(=O)Nc1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)c1	5841614	KLAXAQJVFROGKO-UHFFFAOYSA-N	391.811	3.860	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])CC1	5977731	MAIMLQLKYYUZTC-UHFFFAOYSA-N	397.431	3.855	5	40	GHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccco1	6356575	XCONXUUGYDFBCF-UHFFFAOYSA-N	387.421	3.505	5	40	GHBB	
CCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	9062497	SADVEXRZGZLVJX-UHFFFAOYSA-N	397.416	3.714	5	40	GHBB	
CCCCOc1ccc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1	15554575	GSRQHBTZNJXZGM-UHFFFAOYSA-N	398.415	3.520	5	40	GHBB	
O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1	16564452	PVBCJQCNZSNVGP-UHFFFAOYSA-N	399.838	3.620	5	40	GHBB	
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1cccnc1	32832167	XBUPJWVYLXGINR-UHFFFAOYSA-N	379.372	3.830	5	40	GHBB	
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cc(Br)cs1	52847784	YFZWYORNFZMPQU-JTQLQIEISA-N	398.282	3.878	5	40	GHBB	
COc1ccc2[nH]cc([C@H]3c4c(cc5c(c4OC)OCO5)CC[N+]3(C)C)c2c1	1280368	SIFMCLPOJIACIH-FQEVSTJZSA-N	381.452	3.636	5	40	GHBB	biogenic
Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)n2c(C)ccc2C)cc1	8475574	MMDKKSUIRLEQRV-UHFFFAOYSA-N	391.427	3.983	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2Br)cc1[N+](=O)[O-]	8560796	MLNACHRSEOOZMM-UHFFFAOYSA-N	396.153	3.526	5	40	GHBB	
CCc1c(C)c2ccc(OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2oc1=O	4889380	JPOJREKSVAEZGZ-UHFFFAOYSA-N	382.372	3.590	5	40	GHBB	
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	222799444	JLCSQRWCZVYNHI-RTBURBONSA-N	393.472	3.773	5	40	GHBB	
COc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c(OC)c1	1104426	SMYMDDLTVZHVBM-VIZOYTHASA-N	388.763	3.610	5	40	GHBB	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl	5852268	UUINLLDYCFWQFS-NWDGAFQWSA-N	388.807	3.771	5	40	GHBB	
Cc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	25211545	GYRXCTSGWSWNCP-MRXNPFEDSA-N	396.443	3.934	5	40	GHBB	
Cc1ccccc1Cn1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1=O	5269224	FARUAXCKMJXYQS-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
COc1ccc(OC)c2c1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]2O	21674236	XVOGGVNXHHQSRL-CQSZACIVSA-N	398.337	3.684	5	40	GHBB	
O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1Cl	3224658	RIOPWNOCEBZAGR-VMPITWQZSA-N	378.743	3.582	5	40	GHBB	
CN(Cc1ccccc1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9878383	RUMJVQNXNVROQU-UHFFFAOYSA-N	396.369	3.867	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-]	12639677	KNHPWGJGUWVJPD-UHFFFAOYSA-N	381.432	3.740	5	40	GHBB	
Cc1ccc2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1	2060667	JTCUYGKQZDTDMG-UHFFFAOYSA-N	378.793	3.873	5	40	GHBB	
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1-n1cccn1	89811908	LKDCCUDEUIHJJC-UHFFFAOYSA-N	387.193	3.795	5	40	GHBB	
O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1	72329398	UCBXCJCDLTZOHT-UHFFFAOYSA-N	390.321	3.934	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1	103718428	IQULYZCHPIAJAO-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
CCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1	1322664	QZLXMUPEAKOXGI-SFHVURJKSA-N	382.480	3.933	5	40	GHBB	biogenic
Cc1sc(NC(=O)CCn2cnc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1	12823233	JCYYPHRICBTIRV-UHFFFAOYSA-N	391.840	3.905	5	40	GHBB	
O=C(NCCCN1CCCCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	12742987	WKAWXIUDTSAXFJ-UHFFFAOYSA-N	382.464	3.944	5	40	GHBB	
C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C(N)=O)c2C1	4177483	TYTFSEOVTSLWGF-MRVPVSSYSA-N	393.852	3.786	5	40	GHBB	
CC(=O)n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21	2798115	MBXGFAQOVNYDHF-UHFFFAOYSA-N	395.400	3.947	5	40	GHBB	
O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCC(F)(F)F	4246521	DVECNRXCSQECIM-UHFFFAOYSA-N	390.390	3.806	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1	5163260	VWOZKEQMWIZNMT-HNNXBMFYSA-N	375.388	3.734	5	40	GHBB	
O=C(O)c1cc([N+](=O)[O-])c(Nc2cccc(Br)c2)c([N+](=O)[O-])c1	5390786	DQLCHAPLXBUAGX-UHFFFAOYSA-N	382.126	3.707	5	40	GHBB	
O=C(Nc1ccccc1N1CCOCC1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	6786219	WZYXTJNKFAKEBN-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1	7382598	GORGYOLMHSHAQO-UHFFFAOYSA-N	379.372	3.972	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)O[C@H](C)C2	12556215	XAEGBASAJPFITN-GFCCVEGCSA-N	385.420	3.635	5	40	GHBB	
CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3C[C@@H](C)C[C@@H](C)C3)nc21	28629312	QKOFAXODBHLJGU-OKILXGFUSA-N	395.467	3.980	5	40	GHBB	
O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	35396482	FIWWTJPYAJPJOR-LFIBNONCSA-N	376.324	3.905	5	40	GHBB	
CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	89942259	ZIGGUFGQAZGAIJ-ZDUSSCGKSA-N	391.468	3.752	5	40	GHBB	
CCOc1ccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	2318163	VJTGATBGGUBRLE-MRXNPFEDSA-N	387.417	3.627	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl	4525283	QFYFNZVAZQKTNH-VMPITWQZSA-N	391.836	3.783	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	8475613	URFVZRXPBNMSGJ-UHFFFAOYSA-N	378.388	3.649	5	40	GHBB	
O=C(NCCCOc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	11085950	YUDLMYWJVAHXJI-UHFFFAOYSA-N	383.448	3.784	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	223662650	AXAJFQPJIDZMOF-UHFFFAOYSA-N	392.433	3.508	5	40	GHBB	
CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225006088	BSHJTRODFJNGMS-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
CC(C)c1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1	408564667	DMAFQDSUZJHOMP-OQLXKQOESA-N	391.471	3.865	5	40	GHBB	
O=[N+]([O-])c1cc2c(N[C@H](CO)c3cccc(C(F)(F)F)c3)ncnc2s1	1643055958	YKSFGSSEGKCBAN-LLVKDONJSA-N	384.339	3.764	5	40	GHBB	
Cc1c(C(=O)Nc2ccccc2I)cccc1[N+](=O)[O-]	805336	UOPJJFPRFDGUJK-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
CCCCOC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	1801403	ZVEAZPNZBYWCGM-UHFFFAOYSA-N	387.348	3.712	5	40	GHBB	
COc1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)nc(C)c2[N+](=O)[O-])cc1	4587478	HCRHZCGDKKYQLA-UHFFFAOYSA-N	395.375	3.887	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS[C@H]1c1ccc(Cl)cc1	4903119	ZWSHVACISYRZJA-INIZCTEOSA-N	398.893	3.993	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1Cl	7159026	CSDUXAMNOKDOCT-UHFFFAOYSA-N	378.740	3.650	5	40	GHBB	
COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1cccs1	29623177	UCPLWLNWDQEHOL-INIZCTEOSA-N	387.417	3.716	5	40	GHBB	
COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	30867888	CVCMCPNTOAXJQG-IBGZPJMESA-N	392.477	3.810	5	40	GHBB	
O=[N+]([O-])c1c(F)cccc1NC[C@H](c1ccccc1Cl)N1CCOCC1	58358181	XQDDSXCTRRCMET-QGZVFWFLSA-N	379.819	3.873	5	40	GHBB	
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-]	408621157	LGBMZUJBYHGKNP-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
O=C(CCCc1nc2ccccc2[nH]1)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	78718605	YJGQHDSDHWXOBI-UHFFFAOYSA-N	390.403	3.823	5	40	GHBB	
COc1cc(Cl)c(C)cc1NCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C	7975461	OPRIYVKWGCHSSJ-UHFFFAOYSA-N	393.827	3.933	5	40	GHBB	
Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1313380	JJUHSCKMQBIQMH-UHFFFAOYSA-N	378.724	3.505	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc12	10010588	KXDIUZNPDWKOPM-UHFFFAOYSA-N	388.361	3.682	5	40	GHBB	
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1	2252242	IRYBHYAJOFVTAW-UHFFFAOYSA-N	399.454	3.547	5	40	GHBB	
CCn1c2c(s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1)CCc1ccccc1-2	408562386	PHBSVBKXFYJRKB-MRCUWXFGSA-N	379.441	3.984	5	40	GHBB	
CCOC(=O)CCCCCCOc1cc(C(=O)OCC)c([N+](=O)[O-])cc1OC	71261212	QQDZZCLGQWKLFT-UHFFFAOYSA-N	397.424	3.673	5	40	GHBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O	214993621	PTIWWSVOVKGXBE-CXUHLZMHSA-N	386.385	3.546	5	40	GHBB	
CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2CCCOC	5030655	BMSPALIZYAFOCC-AWEZNQCLSA-N	393.491	3.864	5	40	GHBB	
C[C@H](Sc1nnc2n1CCCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	7081541	FDDKREMLVBNHBW-NSHDSACASA-N	386.437	3.816	5	40	GHBB	
COC(=O)c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc([N+](=O)[O-])c1	8279331	LYMAPJOTVPJAJX-LLVKDONJSA-N	399.428	3.824	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1Cl	3264010	OGSHWWUTIAUKLT-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1	5031940	PKEPFOQQMANNDP-UHFFFAOYSA-N	398.511	3.884	5	40	GHBB	
COc1ccc(/C=C/c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	17246366	UOAQVPQVROKRKU-NYYWCZLTSA-N	382.401	3.878	5	40	GHBB	
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl	20154243	XNLYLNYANBJEDM-UHFFFAOYSA-N	395.246	3.564	5	40	GHBB	
C[N@+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)CCC[C@@H](c2ccccn2)C1	247643614	IZDFKXJEEICTNW-XTWAOLOISA-N	387.612	3.831	5	40	GHBB	biogenic,in-vitro
O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F	4163631	FNSPRIDGSYIFLI-INIZCTEOSA-N	385.342	3.628	5	40	GHBB	
COc1ccc(OCC(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1	6660334	ZCOCAJIZRDLLKK-UHFFFAOYSA-N	375.380	3.972	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c([N+](=O)[O-])c1	8811257	JJIWEZDRADZYOG-UHFFFAOYSA-N	388.380	3.823	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(c2ccncc2)CC1	12117370	SCNSFIXLTZYUMD-UHFFFAOYSA-N	397.478	3.956	5	40	GHBB	
COc1ccc([C@H](C)Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1F	48310164	HYXLLEHIVLMGAJ-LBPRGKRZSA-N	398.394	3.880	5	40	GHBB	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	79047648	PTQJYYBDLQRPNN-UHFFFAOYSA-N	386.433	3.848	5	40	GHBB	
CC(C)c1nnc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1C	95467636	PPQMRUHBLAIZNU-UHFFFAOYSA-N	379.420	3.690	5	40	GHBB	
Cc1ccccc1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	95470908	LLJHUUBBZMMTEI-UHFFFAOYSA-N	377.312	3.765	5	40	GHBB	
O=C(NC(=S)Nc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	408621678	NETZJUMXVOWXQZ-UHFFFAOYSA-N	384.461	3.712	5	40	GHBB	
CS(=O)(=O)c1ccc(Nc2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1	32869724	SPEZWGPQQWVLMJ-UHFFFAOYSA-N	390.339	3.683	5	40	GHBB	
O=[N+]([O-])c1ccc(-c2ncn(CN(C3CC3)[C@H]3CCc4ccccc43)n2)cc1	40155480	KRUVXLKYKRBRNB-FQEVSTJZSA-N	375.432	3.963	5	40	GHBB	
CCN(Cc1nc(-c2ccc(C)c(OC)c2)no1)Cc1ccccc1[N+](=O)[O-]	89969298	BFKFAKCNYMGDMJ-UHFFFAOYSA-N	382.420	3.984	5	40	GHBB	
CCOC(=O)COc1c(Cl)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC	408541337	CHGOJOIIKFSCHM-AATRIKPKSA-N	396.783	3.666	5	40	GHBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCc1ccccc1Cl	32777262	GCCBYWITJPODBR-UHFFFAOYSA-N	377.809	3.798	5	40	GHBB	
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1I	5632965	YSBALAUWEPBUGH-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
COc1cccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)c1	2723734	YXEIGLMEZWWMBG-UHFFFAOYSA-N	384.417	3.520	5	40	GHBB	
Cc1cc(C(=O)Nc2ccccc2I)ccc1[N+](=O)[O-]	834248	XPLLREVOWOLMLG-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	7927931	QNUPEQKFOGCYGX-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
CCOC(=O)C1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1	8147420	WMLSMLSFMYHFOK-UHFFFAOYSA-N	382.416	3.605	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	8475629	LLHGNMZXAULVRS-UHFFFAOYSA-N	378.388	3.649	5	40	GHBB	
CCC(=O)Oc1cn(CCCOC)c2nc(CC)n3c4ccccc4nc3c12	13211634	ZWMPJCAEABVJPM-UHFFFAOYSA-N	380.448	3.752	5	40	GHBB	
O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1	4653743	IFZUVRVXTIOUEJ-CYBMUJFWSA-N	383.187	3.847	5	40	GHBB	
O=C(O)c1cccc(CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1	4898889	CKVJBQJWIBGJNO-OQLLNIDSSA-N	384.369	3.530	5	40	GHBB	
COc1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c([N+](=O)[O-])c1	7035622	AFFDTAHMHFGSMS-UHFFFAOYSA-N	387.417	3.729	5	40	GHBB	
CCn1c(C)nnc1SCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	20034202	RVWOILJBMXTHSR-UHFFFAOYSA-N	390.252	3.552	5	40	GHBB	
COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC	408621059	NNGHXIOOAXNKNN-UHFFFAOYSA-N	395.209	3.935	5	40	GHBB	
COc1ccc(Cc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1OC	19929159	LJQFUYPCSCLYJC-UHFFFAOYSA-N	387.417	3.878	5	40	GHBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc3c(F)cccc3s2)n1	21685375	QTROCGMJCNDGAW-UHFFFAOYSA-N	387.352	3.683	5	40	GHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1	2426741	AURXWNAHKRYZDQ-UHFFFAOYSA-N	399.454	3.761	5	40	GHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1	7813762	SDAPDSRBHJDTTO-UHFFFAOYSA-N	382.203	3.660	5	40	GHBB	
Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])n1	9157686	GWHLEQBQPJJDEX-UHFFFAOYSA-N	387.726	3.571	5	40	GHBB	
O=C(CSc1nn2c(-c3ccccc3)nnc2s1)c1cccc([N+](=O)[O-])c1	27525860	WHLMAGCZYIUUIU-UHFFFAOYSA-N	397.441	3.736	5	40	GHBB	
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-]	32126768	KBFKTLGZRHEONP-UHFFFAOYSA-N	394.416	3.630	5	40	GHBB	
CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21	32146463	CXULXUNXQWVIAZ-SFHVURJKSA-N	376.416	3.930	5	40	GHBB	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	40128725	NQIIAIOSGROGDF-UHFFFAOYSA-N	390.355	3.809	5	40	GHBB	
CCc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	408628419	STZRSIDFWPWMQR-UHFFFAOYSA-N	398.488	3.884	5	40	GHBB	
O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1	409019466	ZFSXWJNVCYEMMX-ATVHPVEESA-N	375.340	3.952	5	40	GHBB	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc(Br)cc1	1068891	XLVJPQBPGBWGAE-MRXNPFEDSA-N	390.193	3.596	5	40	GHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1	2235531	GPFIHOWDVFONBM-UHFFFAOYSA-N	385.427	3.702	5	40	GHBB	
CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	3622452	XYMIBDOKOAZSJV-INIZCTEOSA-N	376.796	3.673	5	40	GHBB	
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1	5253094	FVZCGAVNAFBJSU-AWEZNQCLSA-N	384.484	3.637	5	40	GHBB	
CC(C)[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1	9796625	DCERSVDVHVKCEH-SFHVURJKSA-N	388.493	3.885	5	40	GHBB	
COc1cc(C(=O)OCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OC	12780999	GUYLIAJPVXRATB-UHFFFAOYSA-N	384.344	3.624	5	40	GHBB	
Cn1cnnc1Sc1ccc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-]	13135420	FTOAHQJQXPGDTQ-UHFFFAOYSA-N	389.481	3.717	5	40	GHBB	
Cc1ccc(C)c(S(=O)(=O)CCN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	16419835	QAWRIOLWEWNKSO-INIZCTEOSA-N	376.478	3.678	5	40	GHBB	
CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12	100252198	TVELOQVLHPVBCH-DJJJIMSYSA-N	399.476	3.686	5	40	GHBB	
CCOC(=O)[C@@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12	229859021	IKFVSVFHVALILA-HOJAQTOUSA-N	392.411	3.631	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21)c1ccccc1	409368459	WXZLVQISIBVQFL-UKAVVXHISA-N	386.407	3.990	5	40	GHBB	
O=C(Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	6152834	LGPZTRAXAWJLNX-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
COc1cc(Cl)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC	14086287	QZLAHKYRJYYBJQ-UHFFFAOYSA-N	382.825	3.996	5	40	GHBB	
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1	89661639	MCJLCKIMPAWUNI-QGZVFWFLSA-N	385.420	3.669	5	40	GHBB	
CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1	225859841	XZOQKXQJPLSTOQ-UHFFFAOYSA-N	399.447	3.856	5	40	GHBB	
C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc1c32	5153718	ZVEHNTRLZATJFH-SNVBAGLBSA-N	385.807	3.897	5	40	GHBB	
Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)o2)c([N+](=O)[O-])c1	20140593	SLGIZBQPLKMBBE-UHFFFAOYSA-N	382.328	3.819	5	40	GHBB	
CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCCC1	12593033	MWSPJKYHJGHSNB-UHFFFAOYSA-N	396.491	3.680	5	40	GHBB	
O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12	3310353	DJUKQBMLNBOQDC-JLHYYAGUSA-N	376.368	3.943	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCSc2ccc(Cl)cc21	16709612	DKLXGSQGLVCBEO-CYBMUJFWSA-N	378.837	3.980	5	40	GHBB	
CC(C)c1ccc(-c2nnn([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1	6545010	UANCZBFIBMQGFA-ZDUSSCGKSA-N	380.408	3.571	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)nn(-c2ccccc2)c1C	8777960	IVGBDSCSNRCNBL-UHFFFAOYSA-N	386.433	3.507	5	40	GHBB	
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1	89661643	MCJLCKIMPAWUNI-KRWDZBQOSA-N	385.420	3.669	5	40	GHBB	
CCOc1ccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1	18177041	ILDJFMOHKRDJRP-BETUJISGSA-N	386.456	3.592	5	40	GHBB	
CCSc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)s1	31839273	XRJRETWPVCONER-UHFFFAOYSA-N	381.464	3.901	5	40	GHBB	
Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Br	160212783	KQBQQBFTTUCOOW-UHFFFAOYSA-N	382.239	3.792	5	40	GHBB	
Cc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1	4895461	KLUQYOAVBHEHCE-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	8230833	UGVVNHJGXVJRJJ-QMMMGPOBSA-N	393.425	3.700	5	40	GHBB	
O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccc([N+](=O)[O-])cc1	4777072	IEVNNDSBKDDEAD-HNNXBMFYSA-N	388.383	3.550	5	40	GHBB	
Cn1c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2cc(F)ccc21	72289197	IIXPFLDVRNHVNQ-UHFFFAOYSA-N	377.763	3.596	5	40	GHBB	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C1=C(O)CCn2c1nc1ccccc12	102890346	XSDDHTVADWGHEC-UHFFFAOYSA-N	384.779	3.909	5	40	GHBB	
Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1	12561876	XZPVYIIYTTXXJU-UHFFFAOYSA-N	396.491	3.964	5	40	GHBB	
O=c1c([N+](=O)[O-])c(N(CCc2ccccc2)c2ccccc2)nc2ccccn12	58141323	ATMPLTJGDQMIIS-UHFFFAOYSA-N	386.411	3.984	5	40	GHBB	
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N3CCC[C@@H](C)C3)c12	36618436	RLXLMECWNXRYSH-GFCCVEGCSA-N	380.404	3.979	5	40	GHBB	
Cc1cc(C)cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	3360056	NHZPNNBSARDALJ-UHFFFAOYSA-N	383.433	3.744	5	40	GHBB	
CCOc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1OC	12856750	WUHRMQXOYPIZAZ-UHFFFAOYSA-N	399.407	3.580	5	40	GHBB	
CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C	44086880	MLKXHZYFWJPNIH-UHFFFAOYSA-N	382.445	3.594	5	40	GHBB	
C[C@@H]1CCCC[C@@H]1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7526237	SFIHPIFGKVQJAY-KOLCDFICSA-N	376.404	3.983	5	40	GHBB	
Cc1ccc([C@@H]2CCC[C@H]2N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1	78931341	UKYGAMSHVJCFSE-DLBZAZTESA-N	378.432	3.684	5	40	GHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1	4806013	DNNIFVYYFCNFFG-UHFFFAOYSA-N	394.412	3.710	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1nc(-c2ccsc2)no1	7949439	RZSNMKYYZOZDKW-GFCCVEGCSA-N	386.433	3.859	5	40	GHBB	
CS(=O)(=O)c1ccc(Nc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1	8148028	XCNHCJRQLJDWGW-UHFFFAOYSA-N	375.450	3.732	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(Br)=C/c1ccccc1	955906	RGXKZFGZVXIEPW-LCYFTJDESA-N	377.194	3.978	5	40	GHBB	
COC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1	5510681	LUKXFQICSVQYHJ-KRWDZBQOSA-N	376.368	3.616	5	40	GHBB	
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	6045144	ZJXDMZUXEHFHCW-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902488	FKNDVEHRXFNUAD-FPYGCLRLSA-N	387.823	3.737	5	40	GHBB	
Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)cc1	12536172	HISXFQSQEGQCGL-UHFFFAOYSA-N	386.433	3.507	5	40	GHBB	
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C	409135932	REJPFWYDPAYYMF-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
Cc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	408714067	HTGCHPCQQYYHTI-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccs1	14009696	ICUCLIMQOCLIHU-UHFFFAOYSA-N	386.252	3.546	5	40	GHBB	
COC(=O)c1sccc1/N=c1\oc2ccc3ccccc3c2cc1C(N)=O	1889224954	JBAVTAJPUNACNB-QOCHGBHMSA-N	378.409	3.765	5	40	GHBB	
O=C(COC(=O)C1CCCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	3271873	NCIREHHYZQBANF-UHFFFAOYSA-N	389.433	3.780	5	40	GHBB	
Cc1onc(-c2ccccc2)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3512880	SOADFCLNRUHXAT-UHFFFAOYSA-N	396.355	3.782	5	40	GHBB	
Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1	8475577	JMCDDUKTGWMLKP-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CCc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1	13141383	ZYFOEQYWJLSPOL-UHFFFAOYSA-N	384.417	3.656	5	40	GHBB	
COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(SC)c([N+](=O)[O-])c1	25191849	SKJLHUIDEMLCDE-UHFFFAOYSA-N	386.429	3.696	5	40	GHBB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccc(NC(=O)C2CC2)cc1	30395245	FSHSDJCKSYADQM-ZDUSSCGKSA-N	396.447	3.500	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1	103718437	NVRCKRWTSOAUKP-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	23732763	DANWQZKDYAGLGE-CYBMUJFWSA-N	380.370	3.892	5	40	GHBB	
CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	10899000	UQZKMPJECLQMMC-UHFFFAOYSA-N	396.491	3.923	5	40	GHBB	
CCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N)c2[N+](=O)[O-])cc1	4306124	HKQBUZAAVBHPGZ-UHFFFAOYSA-N	396.407	3.862	5	40	GHBB	
COc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-]	66013508	NSXQDIXNUKRIFU-UHFFFAOYSA-N	386.282	3.520	5	40	GHBB	
COc1ccc2c(c1)oc(=O)c1c(N)nc(-c3cccc(Br)c3)nc12	39379262	UWXDZNDHYIAJIU-UHFFFAOYSA-N	398.216	3.757	5	40	GHBB	
COC(=O)c1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc([N+](=O)[O-])c1	33213867	SDHHGOQFMLFYTA-UHFFFAOYSA-N	381.344	3.652	5	40	GHBB	
COc1ccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c([N+](=O)[O-])c1	6786285	XZCITILIYWZMEL-UHFFFAOYSA-N	385.376	3.569	5	40	GHBB	
O=C(c1ccccc1)c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1	40139273	WMQLDGSMEZCJOZ-SFHVURJKSA-N	392.415	3.945	5	40	GHBB	
C[C@@H]1C[C@@H](C)CN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1	5149820	NXWIWMCDJGWCDM-VXGBXAGGSA-N	390.875	3.715	5	40	GHBB	
CN(C)[C@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	5637731	SGWRZQPYWHWIIL-OAQYLSRUSA-N	396.491	3.618	5	40	GHBB	
COCCNc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	12588619	CMTYBWOFJSQJRM-UHFFFAOYSA-N	397.353	3.602	5	40	GHBB	
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	13112846	WUUPEKZYYNJLBP-SXGWCWSVSA-N	386.385	3.506	5	40	GHBB	
COc1ccc(Br)cc1CN(C)C(=O)c1ccccc1[N+](=O)[O-]	5421537	LTGXMADIGSLFNT-UHFFFAOYSA-N	379.210	3.638	5	40	GHBB	
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	36397197	FBRLWHKSGZEARX-DOJUMQAQSA-N	382.416	3.687	5	40	GHBB	
CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224752847	GIFQPKWOFUSZPT-UHFFFAOYSA-N	398.440	3.999	5	40	GHBB	
COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC	1517824	DTAUMZBSQHOADP-QPEQYQDCSA-N	388.763	3.610	5	40	GHBB	
COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)S3)cc1	1473487	FSQVRDFWONXTDE-OAHLLOKOSA-N	382.401	3.739	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccco3)nc21	2206287	ZNXVKNRUGGHMLG-UHFFFAOYSA-N	383.407	3.557	5	40	GHBB	
Cc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	7307136	FNTAALLSVWHTAO-FQEVSTJZSA-N	382.441	3.971	5	40	GHBB	
CCc1nnc2sc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12	9252456	PDBXWGDLIVZHRX-UHFFFAOYSA-N	394.416	3.576	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)CSc2ccc(Cl)cc2)cc1[N+](=O)[O-]	20528429	HYMAYMOXEDNPGE-UHFFFAOYSA-N	397.796	3.896	5	40	GHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCC1=CCCCC1	5689517	YQNJTTQWISCLPD-UHFFFAOYSA-N	379.482	3.682	5	40	GHBB	
Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1[N+](=O)[O-]	6278656	DUUFOCJMBNMOQX-UHFFFAOYSA-N	387.461	3.975	5	40	GHBB	
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	9613613	ZNCTYCBZAQJFDZ-NRFANRHFSA-N	375.384	3.715	5	40	GHBB	
CCOc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2CCO)cc1	15188757	IYJFJGKIWGOLMY-VXPUYCOJSA-N	385.445	3.748	5	40	GHBB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	16039160	UWYRDNCOMXXPNJ-WTGUMLROSA-N	377.444	3.804	5	40	GHBB	
Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	24451925	GPADHDGWMWJPBM-UHFFFAOYSA-N	380.444	3.876	5	40	GHBB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O	103718950	ZJXUNDMGCQJTST-CYBMUJFWSA-N	387.823	3.857	5	40	GHBB	
CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1	225059974	HQKDATPQSGIHFW-UHFFFAOYSA-N	386.429	3.972	5	40	GHBB	
CO[C@@H](COC[C@H](OC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	604938976	DGVDSTVGIBQGTI-ROUUACIJSA-N	376.365	3.595	5	40	GHBB	
CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1	2449139	ONCOLPLCLUQCCM-UHFFFAOYSA-N	387.443	3.982	5	40	GHBB	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])cc1	4275374	MMRXOJMPBPVREH-UHFFFAOYSA-N	383.385	3.742	5	40	GHBB	
O=C(c1cc2cc(Cl)ccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	7808274	DTCAKLRRCZCJSQ-UHFFFAOYSA-N	385.807	3.957	5	40	GHBB	
Cc1cc(C)n2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2n1	9497872	VTFDRAQOOCPGAN-LLVKDONJSA-N	397.420	3.553	5	40	GHBB	
O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	19315391	PDPUPERVMLOIGY-CQSZACIVSA-N	394.686	3.897	5	40	GHBB	
Cc1cnc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c1	72312890	FWIVLZWFFGYJQH-UHFFFAOYSA-N	387.726	3.571	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1	842319	UZUACNJOSOUGOI-UHFFFAOYSA-N	386.433	3.507	5	40	GHBB	
O=C1S[C@@H](Nc2ccc(Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	2352517	UNSRDJNHJWUMFV-CQSZACIVSA-N	377.809	3.882	5	40	GHBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1(C(F)(F)F)Oc2ccccc2O1	2457596	SNOZNVHRGPFIFU-UHFFFAOYSA-N	387.245	3.543	5	40	GHBB	
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1nc2ccccc2s1	5613416	CXQHGLMLMXZLPK-UHFFFAOYSA-N	392.396	3.824	5	40	GHBB	
CC(=O)N1CCN(c2ccc(Oc3ccc([N+](=O)[O-])c4cnccc34)cc2)CC1	5698984	JPSOKCMOEXNIHS-UHFFFAOYSA-N	392.415	3.604	5	40	GHBB	
O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl	8518786	JWOSSRQPHPSEJV-UHFFFAOYSA-N	389.824	3.764	5	40	GHBB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSc1ccc([N+](=O)[O-])cc1	8746217	GTMNTSZVRMQZQC-QUCCMNQESA-N	397.500	3.830	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1	8757113	XCLKXCOYXVGIKS-UHFFFAOYSA-N	389.481	3.875	5	40	GHBB	
CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	12747209	AARCRSVAFOCOAU-INIZCTEOSA-N	382.247	3.934	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1[N+](=O)[O-]	14086828	YPBKWANADDXIMT-UHFFFAOYSA-N	395.868	3.958	5	40	GHBB	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl	20611682	SEVGFSLSEULVGS-UHFFFAOYSA-N	375.812	3.646	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cc(Cl)ccc1Cl	20611710	XILXOAZQDWJMLD-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1	4852808	IVUORUUJBHGWRD-OXQOHEQNSA-N	397.387	3.541	5	40	GHBB	
Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc([N+](=O)[O-])c3)NC(=O)CCN21	5201143	LQWIDHPJWSCABT-CRWWQRIJSA-N	377.444	3.930	5	40	GHBB	
CCc1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	6646530	IQIWCQKDOAJGBX-UHFFFAOYSA-N	383.433	3.689	5	40	GHBB	
Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1	7193269	AABWNUFAWZVSCP-UHFFFAOYSA-N	378.357	3.504	5	40	GHBB	
Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(=O)O)c1O	20140451	IWKBDPDBPVBKOG-UHFFFAOYSA-N	382.328	3.819	5	40	GHBB	
COCCn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1ccccc1	54427923	QRWXNEGOBBXKOZ-UHFFFAOYSA-N	376.463	3.854	5	40	GHBB	
Cc1c(CCOC(=O)c2ccc([N+](=O)[O-])cc2)sc[n+]1Cc1ccccc1	3193781	WTKCRUBKNDSHAD-UHFFFAOYSA-N	383.449	3.700	5	40	GHBB	
O=C1CCC(=O)N1CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21	4744640	VOIXQIKYSLPQTP-UHFFFAOYSA-N	378.819	3.540	5	40	GHBB	
O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1C[C@@H]1CCCO1	12562070	SWCQDWHGCOEWEF-UGSOOPFHSA-N	387.823	3.994	5	40	GHBB	
O=c1c2ccccc2nnn1Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	8040497	ANEKMHICROUFTI-UHFFFAOYSA-N	390.424	3.899	5	40	GHBB	
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCCC2)cc1	27582959	GWRWPZYGKYWJEC-OAQYLSRUSA-N	397.475	3.951	5	40	GHBB	
CC1(C)OC(=O)C([C@H](c2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)C(=O)O1	39223253	QETKRDLXHJLCFV-QGZVFWFLSA-N	394.383	3.660	5	40	GHBB	
O=C(CSc1ccccc1[N+](=O)[O-])NCc1ccccc1CN1CCCC1	14184320	HQTUXAANTUEGLZ-UHFFFAOYSA-N	385.489	3.599	5	40	GHBB	
CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-]	10545535	KMPIEJHBDQQPAX-OAHLLOKOSA-N	393.447	3.557	5	40	GHBB	
C[C@H](OC(=O)c1ccc(Cl)cc1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	16667231	PHKWVJPIKZNDLE-VIFPVBQESA-N	388.767	3.798	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1[N+](=O)[O-]	17077929	ZNXKCEBTXBBYMJ-UHFFFAOYSA-N	381.413	3.889	5	40	GHBB	
COc1ccccc1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	24483545	ZXIWCRHZTLVZEY-LPHOPBHVSA-N	381.432	3.773	5	40	GHBB	
Cc1cc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c23)on1	36618495	JBYLNITYCINPTR-UHFFFAOYSA-N	379.332	3.655	5	40	GHBB	
CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	408902416	NJHDWWBGTFTHMU-XNTDXEJSSA-N	386.385	3.940	5	40	GHBB	
COc1ccccc1Nc1nnc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)s1	2956116	GPDACYPWYZGONG-UHFFFAOYSA-N	396.384	3.972	5	40	GHBB	
CCCCOC(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1	6629064	XGYGIVAJCGJJGR-UHFFFAOYSA-N	389.433	3.678	5	40	GHBB	
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])cc1	6278069	HVDZIRGBWCMBBD-UHFFFAOYSA-N	377.404	3.832	5	40	GHBB	
CCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])n1CC	20033953	XNBMIXZWRGXASD-UHFFFAOYSA-N	377.470	3.506	5	40	GHBB	
O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1	409196826	RJJMVJSGNCMGBH-LDADJPATSA-N	389.367	3.948	5	40	GHBB	
O=C(c1ccccc1)c1ccc(NCCc2nnc3ccccn23)c([N+](=O)[O-])c1	18062236	FQOPKPWXEGEFEV-UHFFFAOYSA-N	387.399	3.523	5	40	GHBB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	25357506	UDDSAOHHBQLLFQ-RKVPGOIHSA-N	393.436	3.521	5	40	GHBB	
CC1CCN(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)CC1	4697029	PEAYTUJVFFYBDK-HMMYKYKNSA-N	393.443	3.624	5	40	GHBB	
CN1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	216930089	GIZMGXRFGONTDZ-UHFFFAOYSA-N	389.839	3.974	5	40	GHBB	
O=c1[nH]c(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc(O)c1[N+](=O)[O-]	9234829	XHZJVJCNSYSOOK-FNORWQNLSA-N	393.277	3.833	5	40	GHBB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	4979689	UDDSAOHHBQLLFQ-HDMKZQKVSA-N	393.436	3.521	5	40	GHBB	
COc1ccc(Nc2nc(N(C)c3ccc(O)cc3)nc(C)c2[N+](=O)[O-])cc1	5360722	ZNTBXTOPDAADSW-UHFFFAOYSA-N	381.392	3.919	5	40	GHBB	
Cc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	6479634	WJYORKJLDWNXNR-UHFFFAOYSA-N	397.408	3.955	5	40	GHBB	
C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccccc1	7779679	HSXWCASSDYJOCH-LLVKDONJSA-N	396.321	3.840	5	40	GHBB	
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	20154241	DTGXUEAMZXHEIB-UHFFFAOYSA-N	395.246	3.564	5	40	GHBB	
CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1	24493485	XXISQBNVJOZFQB-UHFFFAOYSA-N	391.468	3.942	5	40	GHBB	
Cc1c(F)cccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	409165553	ZKTGURJTTGQOSG-UHFFFAOYSA-N	388.380	3.823	5	40	GHBB	
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	8369912	ZGWALTCELKFCEZ-SFHVURJKSA-N	396.472	3.643	5	40	GHBB	
O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1	3660875	SVQWRCLMURYZEK-UHFFFAOYSA-N	398.718	3.505	5	40	GHBB	
CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	7929165	YBMFFQBNBMPDAO-CQSZACIVSA-N	382.416	3.851	5	40	GHBB	
COc1cccc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1	8403425	UGLBXRZDJWJHME-HNNXBMFYSA-N	383.448	3.770	5	40	GHBB	
CNc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-]	31562506	LKSWCVDNDKYEPN-GFCCVEGCSA-N	397.410	3.761	5	40	GHBB	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	79046102	USQDQEIRSRCUKV-JXFKEZNVSA-N	382.464	3.969	5	40	GHBB	
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1	1505181	GIMUXWGWJUVOTQ-NVNXTCNLSA-N	386.747	3.518	5	40	GHBB	
O=C(CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1	5513649	FWNLTJRKBQJOSO-UHFFFAOYSA-N	386.364	3.641	5	40	GHBB	
COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1	33469569	LQBAYQVLNNHHOV-HJWRWDBZSA-N	378.178	3.924	5	40	GHBB	
CCN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)C(F)(F)F	36398319	MWWLYONVJCBBAJ-UHFFFAOYSA-N	395.337	3.758	5	40	GHBB	
CN1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)nc2)CC1	53745922	XAZRXIMDAAJUPT-UHFFFAOYSA-N	397.482	3.787	5	40	GHBB	
CN(Cc1csc(-c2ncccn2)n1)Cc1cc([N+](=O)[O-])ccc1Cl	96308224	UBCYFVSTDIDOBV-UHFFFAOYSA-N	375.841	3.794	5	40	GHBB	
CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	23392417	RJWVYKRZUSMTOY-UHFFFAOYSA-N	377.372	3.805	5	40	GHBB	
COc1nn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1[N+](=O)[O-]	2498202	BHRCCUJQWMADFL-UHFFFAOYSA-N	379.298	3.573	5	40	GHBB	
CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	95977797	APWACQCVEDLBQU-ZDUSSCGKSA-N	376.796	3.550	5	40	GHBB	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1	40090858	NQGPFBFHDMHTIP-IYBDPMFKSA-N	395.459	3.894	5	40	GHBB	
CCOc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1	4120653	CUROMNVLHBJAQU-UHFFFAOYSA-N	385.445	3.739	5	40	GHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-]	793702	CUJQWLZDRXANRW-SFHVURJKSA-N	381.388	3.703	5	40	GHBB	
COc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	6549305	LDSFYZORAGCBAH-UHFFFAOYSA-N	385.401	3.744	5	40	GHBB	
COc1ccc(CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)cc1	47406678	SXWODTSJZARXAD-UHFFFAOYSA-N	380.404	3.818	5	40	GHBB	
Cc1c(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-]	5972921	XQUOJWLMQDJOQU-JHMRYYBSSA-N	386.448	3.534	5	40	GHBB	
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1C	869060	FIOSSPMVFVEWQV-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C(C)=O)c1C	1930561	XQKUZJNNAPIMFE-UHFFFAOYSA-N	376.390	3.596	5	40	GHBB	
COCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21	5055096	KWQLGGNWKMHMJK-UHFFFAOYSA-N	391.475	3.754	5	40	GHBB	
O=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc([N+](=O)[O-])cc1	8174901	YKEUKRGVLIUBQA-UHFFFAOYSA-N	384.219	3.509	5	40	GHBB	
COc1cccc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1	8403417	UGLBXRZDJWJHME-OAHLLOKOSA-N	383.448	3.770	5	40	GHBB	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccccc2)CC1	12996710	OWVGSGPFESWGTM-UHFFFAOYSA-N	391.427	3.813	5	40	GHBB	
O=C(Cc1cccc(F)c1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1	13006130	PFMZVMGSTLRBHC-UHFFFAOYSA-N	396.378	3.518	5	40	GHBB	
Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	13149790	HXJOYYZOCXYHHU-UHFFFAOYSA-N	389.824	3.780	5	40	GHBB	
COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1-c1ccc(CO)o1	20140956	DLMGUXBORZFNBJ-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
Cc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1	48287813	PAFDCCXROWURCX-UHFFFAOYSA-N	390.443	3.850	5	40	GHBB	
COC(=O)c1cn(C(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc12	222570681	AESBCNLJFGUJOA-UHFFFAOYSA-N	384.413	3.910	5	40	GHBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1c2ccccc2C[C@H]1C	7108064	FTYFZAABDLGBMN-NEPJUHHUSA-N	388.807	3.771	5	40	GHBB	
Cc1cccc(Cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2=O)c1	7574122	WUGMQYZHMCGYCJ-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
CN(CCN(C)c1ccc(F)cc1[N+](=O)[O-])C(=O)C1(Cc2ccccc2)CC1	1615612445	YMXFSRROOJASBW-UHFFFAOYSA-N	385.439	3.651	5	40	GHBB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	4979691	UDDSAOHHBQLLFQ-RLFYNMQTSA-N	393.436	3.521	5	40	GHBB	
COc1ccc(NC(=O)CSc2nc3ccccc3s2)c([N+](=O)[O-])c1	4748840	NMBXYAWUOCSHGW-UHFFFAOYSA-N	375.431	3.944	5	40	GHBB	
O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1ccc(Cl)cc1Cl	7005839	HDWFPEFSUMBGRX-UHFFFAOYSA-N	380.187	3.691	5	40	GHBB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1cccc([N+](=O)[O-])c1	15906449	HIKQRUATTDDDTQ-LACOWATDSA-N	377.444	3.751	5	40	GHBB	
CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(C)c1	223906687	AVXUGGXFRAEAHD-MRXNPFEDSA-N	378.450	3.650	5	40	GHBB	
CCc1cccc2c(CCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c(C)[nH]c12	1421326	QPJUMVRWWVGROH-UHFFFAOYSA-N	377.400	3.786	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccccc2Cl)c1=O	5269843	MJSINWPFUYTMFH-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
CCc1ccc2c(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1	12633661	ZJKOVQNZFPVSOG-UHFFFAOYSA-N	393.443	3.586	5	40	GHBB	
COc1cccc(CC(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	16584306	UAOLOBRKNDQASD-LBPRGKRZSA-N	383.360	3.500	5	40	GHBB	
CC(C)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	17128636	HUMRFLYMKMGJSI-UHFFFAOYSA-N	378.432	3.762	5	40	GHBB	
CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1	218126183	PCQHDGMHQYZBJO-MRXNPFEDSA-N	396.852	3.533	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1	9063042	WEEDHKFIKSGDJI-UHFFFAOYSA-N	383.448	3.763	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(SCc2ccccc2)s1	21954128	LRDGKRUJUJWNKF-UHFFFAOYSA-N	386.458	3.920	5	40	GHBB	
CN(CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1	14898233	FQVIQFGWMCBIHR-UHFFFAOYSA-N	399.494	3.797	5	40	GHBB	
C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1	4975854	WDAWFYYUNMBQLS-SECBINFHSA-N	383.173	3.902	5	40	GHBB	
CN(CCn1cc([N+](=O)[O-])cn1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	551714236	UWDOUBYYQWWQCR-UHFFFAOYSA-N	396.291	3.961	5	40	GHBB	
CCc1nc(N)nc(N)c1-c1ccc(N(CC)Cc2ccccc2)c([N+](=O)[O-])c1	5115147	IMIGOGRRRKKZEC-UHFFFAOYSA-N	392.463	3.805	5	40	GHBB	
CCN(CC)c1ccc(C(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	5692100	QXLMBZASXFOZAA-UHFFFAOYSA-N	398.532	3.939	5	40	GHBB	
Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1=O	5269219	QKTKXAMDAPEMDK-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
CC(C)(C)N(Cc1ccccc1)C(=O)COc1ncnc2cc([N+](=O)[O-])ccc12	2663996	SVVDDOICHOMYRH-UHFFFAOYSA-N	394.431	3.744	5	40	GHBB	
Cc1nn(C[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1Br	2794524	UXPWBMUBILDWMD-MRVPVSSYSA-N	399.220	3.585	5	40	GHBB	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	8161138	CKIUZCFVRKTBEK-YOEHRIQHSA-N	386.404	3.559	5	40	GHBB	
Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	226768223	YZQIBTVSHJBLCQ-UHFFFAOYSA-N	389.367	3.905	5	40	GHBB	
CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1	95983348	LIWRRZBPFMJMFQ-MFKMUULPSA-N	395.506	3.648	5	40	GHBB	
COc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	5859506	JEHCXAUROWBLHG-UHFFFAOYSA-N	386.404	3.696	5	40	GHBB	
CCCCOC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	16247666	CKXUEGMIYZGNSY-UHFFFAOYSA-N	386.404	3.707	5	40	GHBB	
CCOC(=O)c1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	19794065	NEUOMKXKMMQFID-UHFFFAOYSA-N	392.795	3.994	5	40	GHBB	
CC(C)Sc1nnc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)s1	225294629	PZSIQQNJSVEUKQ-UHFFFAOYSA-N	384.508	3.819	5	40	GHBB	
O=C(Nc1ccc(I)cc1F)c1ccccc1[N+](=O)[O-]	408623181	RWYZBYSETNDSHZ-UHFFFAOYSA-N	386.120	3.591	5	40	GHBB	
COc1ccc(C(=O)N(C)CCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-]	55851811	HEZHNHFLXTZXBT-UHFFFAOYSA-N	378.812	3.798	5	40	GHBB	
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1	20611853	VKDHROPGMWYFMS-HNNXBMFYSA-N	399.447	3.861	5	40	GHBB	
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2cc([N+](=O)[O-])ccc2oc1=O	4581006	DBEBAWRSMMLPGM-UHFFFAOYSA-N	382.416	3.647	5	40	GHBB	
O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)[C@@H]1COc2ccccc2O1	61992273	QTSDVQFXHQQDIN-ZDUSSCGKSA-N	389.414	3.558	5	40	GHBB	
Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)[nH]c2c1C(=O)CCC2	53334850	PHCDEDHWHJIESC-UHFFFAOYSA-N	375.812	3.676	5	40	GHBB	
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1	2253794	QMUSTZPCIQCRAY-LJQANCHMSA-N	399.362	3.846	5	40	GHBB	
CC[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	4870642	PMXYWMSIHNAETL-CQSZACIVSA-N	376.796	3.924	5	40	GHBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)ccc1Oc1ccccc1	6119840	GPIJXSFBISQJBI-UHFFFAOYSA-N	399.790	3.841	5	40	GHBB	
Cc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1	7596492	AVIBFNUNODDSHU-UHFFFAOYSA-N	378.388	3.758	5	40	GHBB	
CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCCC1	12562683	AXFUISSBPXQSLV-UHFFFAOYSA-N	382.464	3.656	5	40	GHBB	
C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	32816668	HJPPRIFHELQZCS-LLVKDONJSA-N	379.210	3.614	5	40	GHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccccc2)CC1	44804403	GQROPGFDDFRNSY-UHFFFAOYSA-N	382.416	3.871	5	40	GHBB	
O=C(NCc1cccnc1OCC(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-]	79020655	YIVMQXRAQMXFJN-UHFFFAOYSA-N	389.717	3.514	5	40	GHBB	
CC(C)Oc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1	4740964	KRALTRXBZFUWAP-UHFFFAOYSA-N	377.828	3.877	5	40	GHBB	
CCOC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1[N+](=O)[O-])c1ccccc1	6154569	HUNKPVMITZNFKY-CQSZACIVSA-N	375.356	3.550	5	40	GHBB	
COc1c(C)cccc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	6968528	SGLINCMBNDNMNW-UHFFFAOYSA-N	389.839	3.528	5	40	GHBB	
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1	9198769	IDINBMUIOPMOAC-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
O=C(NCCSCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	20240020	GRWUEILSQODRLV-UHFFFAOYSA-N	395.824	3.820	5	40	GHBB	
CC1(C)Cc2cccc(OCCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2O1	24450188	NVUFHQZRQWQDOB-UHFFFAOYSA-N	390.823	3.771	5	40	GHBB	
CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc12	100586514	SZYWIZJYLWWFAB-NSPYISDASA-N	399.476	3.686	5	40	GHBB	
CCN(c1ccccc1Br)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225077375	WEGYRYLFIUKIEK-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1[N+](=O)[O-]	5259222	CDOCXPSTMIZXGQ-UHFFFAOYSA-N	389.415	3.904	5	40	GHBB	
Cc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br	14009738	PKCBTMWUDMDZNS-UHFFFAOYSA-N	394.250	3.793	5	40	GHBB	
Cc1c(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cccc1[N+](=O)[O-]	32871771	NUZUPGQVIGVDKD-UHFFFAOYSA-N	377.404	3.699	5	40	GHBB	
CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	106728708	UVIWMUFFOPGDTR-YVLHZVERSA-N	397.412	3.790	5	40	GHBB	
CN1CCC(CCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1	216929705	IXJAZMVTSAXGCU-OQKWZONESA-N	393.487	3.984	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1	805467	DHNHJAZXJACAIW-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21	2250123	GFEBKMSJFLQUMV-OAHLLOKOSA-N	391.475	3.664	5	40	GHBB	
O=C(OCC(=O)N1CCc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	4779296	TVCDOALAJWWZMP-UHFFFAOYSA-N	392.367	3.601	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1	7982909	FEUCANYMUJTGFB-IZZDOVSWSA-N	398.415	3.922	5	40	GHBB	
COc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c(OC)c1OC	21837229	QOMAZQGJIXYQNN-LLVKDONJSA-N	392.383	3.593	5	40	GHBB	
CCc1ccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	26943067	POFUIYFOHRBYKG-YJBOKZPZSA-N	395.459	3.730	5	40	GHBB	
COc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[N+](=O)[O-]	48366452	OAKZABMHSDVDJC-UHFFFAOYSA-N	397.431	3.662	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)c(I)nn2Cc1ccccc1	94968047	FFFMYTOVQDDPQU-UHFFFAOYSA-N	379.157	3.597	5	40	GHBB	
Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1	226092756	ICQVTJBEEIOPEB-UHFFFAOYSA-N	384.779	3.559	5	40	GHBB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)Nc1ncc(Cl)cc1Cl	2640963	DIBFLKMIZGLNLP-LURJTMIESA-N	390.204	3.542	5	40	GHBB	
COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	3229162	LWLLOHXZDKMEFS-CYBMUJFWSA-N	394.383	3.941	5	40	GHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc(Cl)c(Cl)c1	3321443	TZBUUFFUHOLZKZ-UHFFFAOYSA-N	385.159	3.520	5	40	GHBB	
CCO[P@](=O)(NC1CC1)SCc1nc(Cc2ccc([N+](=O)[O-])cc2)no1	4285809	DEKTWCXVJWGFAU-RUZDIDTESA-N	398.381	3.698	5	40	GHBB	
COC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1C	6500468	KXQDIIOGRSOZNP-UHFFFAOYSA-N	387.373	3.659	5	40	GHBB	
Cc1cc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)n(C)n1	17078655	RDEXZXQTHFGFSM-UHFFFAOYSA-N	385.403	3.842	5	40	GHBB	
CCc1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1	72229138	BISQKSQLUCKYFD-UHFFFAOYSA-N	389.839	3.900	5	40	GHBB	
CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	2629986	KSSBTQQFMJBXKU-AWEZNQCLSA-N	385.420	3.625	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cccc(C)c3C)nc12	10010659	HMESSQGFHYNLDJ-UHFFFAOYSA-N	387.417	3.847	5	40	GHBB	
COc1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-]	10423923	PSFYLRXQLTWAAL-UHFFFAOYSA-N	384.417	3.740	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1	12895344	XVRKBNSXCGHUEQ-UHFFFAOYSA-N	387.399	3.949	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H](C(F)(F)F)C1	24486886	ONLHNOFYQZHIRJ-CQSZACIVSA-N	388.389	3.956	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1	24560315	JKIDXKGGCBGUJN-FQEVSTJZSA-N	390.443	3.576	5	40	GHBB	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1cccc([N+](=O)[O-])c1	101590816	XYRHLOFWENMHFK-NYYJTOMGSA-N	392.839	3.654	5	40	GHBB	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCCO2	7983422	LPUCGVRPUNECFP-QGZVFWFLSA-N	376.434	3.945	5	40	GHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(C)cccc2s1	12545547	JEYFKCUQOFTTGX-UHFFFAOYSA-N	386.433	3.824	5	40	GHBB	
COC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	12754000	GIIIVOZINAOESV-JTQLQIEISA-N	379.752	3.759	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(Cl)c2ccccc12	41095984	ATWPRAMVUBVXHR-UHFFFAOYSA-N	387.804	3.988	5	40	GHBB	
O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	205658720	AJPAQLMTDIJCCN-LZYBPNLTSA-N	384.369	3.560	5	40	GHBB	
CCNc1ccc(C(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)cc1[N+](=O)[O-]	32741014	DMEIWPZELZPVFF-ZDUSSCGKSA-N	399.447	3.679	5	40	GHBB	
C[C@H](CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC(=O)c1ccc([N+](=O)[O-])cc1	3065018	BZILKXAEWKETKK-LLVKDONJSA-N	384.348	3.557	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NS(=O)(=O)c2ccccc2)c1	5184646	ZFIHHDCAKAWZOV-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1	8320642	YYRDYZJCKOOSHC-IUODEOHRSA-N	375.450	3.829	5	40	GHBB	
O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCc2ccc(O)cc2C1	51343598	IDFCDDNDNAWTPI-UHFFFAOYSA-N	381.413	3.622	5	40	GHBB	
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1cccc(O)c1)c1ccccc1	84522579	HXPXMHNTKMOVNJ-FQEVSTJZSA-N	376.412	3.943	5	40	GHBB	
CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1	96013475	PNDALAKVAGWHOZ-AWEZNQCLSA-N	389.477	3.900	5	40	GHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3ccco3)nc21	2347084	JEIORUFTJWWOBO-UHFFFAOYSA-N	387.370	3.637	5	40	GHBB	
Cc1nn(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(C)c1[N+](=O)[O-]	8517746	FGOQUFQITYKTBY-QGZVFWFLSA-N	388.424	3.515	5	40	GHBB	
O=C(NCCSCc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	20240017	WVFKYUTYRMMGHH-UHFFFAOYSA-N	395.824	3.820	5	40	GHBB	
Cc1nccn1-c1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	22515955	ZSQUGVVBESVYIZ-UHFFFAOYSA-N	396.472	3.639	5	40	GHBB	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(I)c1	225015668	QCKDRMQWKAGPAM-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c(Cl)c1	5740777	PCBCUITVUJBQFC-QPJJXVBHSA-N	387.823	3.737	5	40	GHBB	
Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	6504812	RRDGXDLCBZEAKD-UHFFFAOYSA-N	376.434	3.870	5	40	GHBB	
CCc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1	12952858	ZYTLWEGSVVVIDN-QAPCUYQASA-N	395.459	3.730	5	40	GHBB	
CCCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1	14041777	ZDTNWGPHZYEBBJ-UHFFFAOYSA-N	389.433	3.606	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2noc(CN3CCC(OCc4ccccc4)CC3)n2)c1	40086053	XGMXORPDDCBUOM-UHFFFAOYSA-N	394.431	3.826	5	40	GHBB	
Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]	2653853	MSNNNCKDFBFZJR-UHFFFAOYSA-N	389.824	3.780	5	40	GHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccccc1	5224582	HSXWCASSDYJOCH-NSHDSACASA-N	396.321	3.840	5	40	GHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1	7169448	UBLGELGOSOISEQ-UHFFFAOYSA-N	388.383	3.745	5	40	GHBB	
O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2nc3ccccc3n12	13810426	IUAFMCGOKRAGOP-WOJGMQOQSA-N	389.392	3.625	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	15629309	HBCVQPWRBZBJBA-OAHLLOKOSA-N	375.384	3.740	5	40	GHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1	29769238	QXIFLVUVLPJRLY-UHFFFAOYSA-N	390.321	3.981	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl	224939200	AIKIQCRZSOCKLW-UHFFFAOYSA-N	391.232	3.735	5	40	GHBB	
COc1ccc(C2(CNC(=O)c3ccccc3[N+](=O)[O-])CCCC2)cc1OC	915909	HAEZYMZMAUPPQV-UHFFFAOYSA-N	384.432	3.854	5	40	GHBB	
CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21	2250124	GFEBKMSJFLQUMV-HNNXBMFYSA-N	391.475	3.664	5	40	GHBB	
CSc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	7984274	AIOPAVOTMRFICW-UHFFFAOYSA-N	382.388	3.891	5	40	GHBB	
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	8649488	LZGBYTVIIBSBQP-CYBMUJFWSA-N	381.388	3.579	5	40	GHBB	
CCOc1ccc(Oc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)cc1	43269414	RSKVGORDIGZOPF-UHFFFAOYSA-N	382.376	3.621	5	40	GHBB	
Cc1ccc(N(C)CCN(C)C(=O)c2ccnc(-c3ccco3)c2)c([N+](=O)[O-])c1	1615612012	UMFKAOBLWVKSMR-UHFFFAOYSA-N	394.431	3.767	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1	4797363	ZZKMBLQYNJWGHG-UHFFFAOYSA-N	378.344	3.745	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-]	6316373	IPWDBCPDRVTNND-UHFFFAOYSA-N	376.312	3.603	5	40	GHBB	
COc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1[N+](=O)[O-]	222981225	MUHMLTPDWCKNNC-CQSZACIVSA-N	384.432	3.738	5	40	GHBB	
O=C(N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccco1	836603	BEQQBGJATBNVRY-LBPRGKRZSA-N	379.583	3.693	5	40	GHBB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1	2502977	LOLDPCKJDARJHH-FQEVSTJZSA-N	395.440	3.910	5	40	GHBB	
COc1ccc2c(c1)c1nnc(SCc3ccc([N+](=O)[O-])cc3)nc1n2C	9060684	KMXYWRYLEVFYBJ-UHFFFAOYSA-N	381.417	3.726	5	40	GHBB	
CC(C)(C)CNc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-]	13632994	PDKFHVSIBPGCKI-UHFFFAOYSA-N	376.501	3.748	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)c([N+](=O)[O-])c1	20195630	JSKKSZZFQSMREI-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=C(NCCc1c(F)cccc1F)c1ccc(Br)cc1[N+](=O)[O-]	79024360	KCXVRNWRWWRQLG-UHFFFAOYSA-N	385.164	3.608	5	40	GHBB	
CCc1cccc(C)c1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	3314404	UMXDNNYKVMWUHL-UHFFFAOYSA-N	376.796	3.915	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	8209230	PBMJCXTVRLZLOY-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4[N+](=O)[O-])C3)o2)cc1	49170248	AXMOYUYZZXVQHE-KRWDZBQOSA-N	393.447	3.700	5	40	GHBB	biogenic,in-vitro
O=C(O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	4653249	WICWWQJORHNLFZ-CYBMUJFWSA-N	383.187	3.847	5	40	GHBB	
Cc1c(O[C@@H](C)C(=O)NCc2ccccn2)ccc2c1oc(=O)c1ccccc12	5270511	BRTCLAOWBUGKKZ-HNNXBMFYSA-N	388.423	3.733	5	40	GHBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCSc1ccc(Cl)cc1	15028745	AQNZWCXYIUBWIZ-UHFFFAOYSA-N	379.869	3.836	5	40	GHBB	
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Cl	20529019	INVJWJNCWGUHHY-UHFFFAOYSA-N	395.755	3.816	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(Nc2cccc(NC3CC3)c2)c([N+](=O)[O-])c1	40155570	WVGBKWWIKMFRGP-UHFFFAOYSA-N	390.465	3.599	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1	57556677	CZAFNWRTUIHPRZ-UHFFFAOYSA-N	399.838	3.620	5	40	GHBB	
COC(=O)c1cccc(NC(=O)c2ccc3[nH]c4ccc(F)cc4c(=O)c3c2)c1	97165931	ZRKOVLUTZLLVEN-UHFFFAOYSA-N	390.370	3.859	5	40	GHBB	
CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	222757839	DOCAOIJOUBPSOU-ROUUACIJSA-N	380.429	3.852	5	40	GHBB	
CCn1c(=O)sc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21	225077096	PBTXRTLWZYJTPC-UHFFFAOYSA-N	377.809	3.897	5	40	GHBB	
O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	408615950	USSUZJCZWMPDMW-UHFFFAOYSA-N	393.374	3.916	5	40	GHBB	
O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21	3394251	LQVNEAHVQKMFNN-MRXNPFEDSA-N	388.807	3.599	5	40	GHBB	
O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5670914	WPCJMQLDOCTQHG-UHFFFAOYSA-N	384.117	3.657	5	40	GHBB	
O=c1c([N+](=O)[O-])c(NCCCn2ccnc2)c2ccccc2n1-c1ccccc1	9059967	RDFXTHZDQMKZKD-UHFFFAOYSA-N	389.415	3.598	5	40	GHBB	
CCN(CC)CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2C)nc2ccccc21	11554729	VAKWSNLSYHPNHQ-UHFFFAOYSA-N	395.463	3.847	5	40	GHBB	
CCc1cccc(C)c1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	13149781	MRHOFZXMRDBQPE-UHFFFAOYSA-N	397.460	3.998	5	40	GHBB	
COc1ccc(C(C)=O)cc1COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-]	14069915	WQMWFZBMJAIVCE-UHFFFAOYSA-N	384.388	3.512	5	40	GHBB	
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@@H]1CCCO1	28284583	SJSFQOFTIQTJAB-AWEZNQCLSA-N	390.417	3.618	5	40	GHBB	
COc1ccc(-c2ccc(C(=O)n3cc(CO)c4ccccc43)o2)c([N+](=O)[O-])c1	226767800	KPDUVPRFBSSWNB-UHFFFAOYSA-N	392.367	3.999	5	40	GHBB	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	8349288	XSXMSPAOXREVSU-GFCCVEGCSA-N	385.811	3.662	5	40	GHBB	
COc1cccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1	12799315	SHLJIZQGTDYFBY-GOSISDBHSA-N	390.461	3.746	5	40	GHBB	
Cc1ccc2c(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)oc2c1C	58160149	HYJDPJBXESOUBQ-UHFFFAOYSA-N	393.443	3.640	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1	2639457	LDOPJCIWKXJZSJ-UHFFFAOYSA-N	392.824	3.864	5	40	GHBB	
COc1ccc(C(C)(C)C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	6307393	RBMBMDHCLVLKOF-UHFFFAOYSA-N	399.447	3.660	5	40	GHBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)NCc1cccs1	7735964	KGIVIHPJQIVENP-UHFFFAOYSA-N	376.385	3.666	5	40	GHBB	
CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C	12521138	OQUSQQNCVXGUEM-UHFFFAOYSA-N	397.840	3.624	5	40	GHBB	
Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C	12773875	JRCQYAQZWFZHMG-UHFFFAOYSA-N	393.399	3.840	5	40	GHBB	
Cc1nn(Cc2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)c(C)c1[N+](=O)[O-]	14014682	AYXTXIFRLYMNMD-UHFFFAOYSA-N	396.422	3.868	5	40	GHBB	
O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	107534053	KVUBJZBPIUBBBB-WBVHZDCISA-N	396.365	3.800	5	40	GHBB	
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1	4305068	KRWNOAQNFXPTNE-LJQANCHMSA-N	377.400	3.722	5	40	GHBB	
Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1	4835985	YONHCHXIBGBLRM-UHFFFAOYSA-N	383.433	3.523	5	40	GHBB	
CCOc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N)c2[N+](=O)[O-])cc1	5031249	HUDPQDZJNMSKOP-UHFFFAOYSA-N	396.407	3.862	5	40	GHBB	
O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)c2c(O)nn(C3CCCCC3)c2N1	5632956	HICMTOVVJSFNBN-MRXNPFEDSA-N	388.449	3.777	5	40	GHBB	
C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)n1cc([N+](=O)[O-])ccc1=O	9515793	YWRGCUMWCNZLPY-ZJUUUORDSA-N	384.219	3.502	5	40	GHBB	
C[C@H](Sc1nncs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	13030479	VWKCDZLBXWQLKH-QMMMGPOBSA-N	393.475	3.689	5	40	GHBB	
COc1ccc(C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1[N+](=O)[O-]	14389300	SHAKFPUIGUECPX-UHFFFAOYSA-N	396.403	3.704	5	40	GHBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(C(=O)O)cc1	20145326	PTJVZZLLTHQTPA-ZRDIBKRKSA-N	392.367	3.883	5	40	GHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)c2c1CCC2	22286143	DYFJCMAHHDGTHR-UHFFFAOYSA-N	381.363	3.765	5	40	GHBB	
COc1ccc(C(=O)COc2cc([N+](=O)[O-])ccc2OC)cc1Br	24810807	MKGKILMPYJVWDP-UHFFFAOYSA-N	396.193	3.636	5	40	GHBB	
O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1CCc1ccccc1	409350165	TZBYITOYUUANBD-MFOYZWKCSA-N	398.396	3.603	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1	10516814	MGFCAHQTWZMVLV-UHFFFAOYSA-N	394.412	3.939	5	40	GHBB	
CCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c1	8560745	FRLNXCSKZRNXTQ-UHFFFAOYSA-N	375.337	3.553	5	40	GHBB	
NC(=O)c1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])c1	57381116	ZJXOORDJLQGLGU-UHFFFAOYSA-N	378.432	3.555	5	40	GHBB	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1C(F)(F)F	8195578	CZSVMRFYOJRPJR-UHFFFAOYSA-N	382.266	3.693	5	40	GHBB	
O=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1	9667700	CRZUMXCOATVNFK-UHFFFAOYSA-N	389.371	3.747	5	40	GHBB	
COc1ccccc1-n1ccc2nc3ccn(C4CCCC4)c(=O)c3cc2c1=O	38829306	XISAKMHNEJYZAF-UHFFFAOYSA-N	387.439	3.824	5	40	GHBB	
CCc1ccc([C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1	48326098	WWKFKCCVPUUOQY-LJQANCHMSA-N	376.478	3.974	5	40	GHBB	
Cc1ccc(C(C)C)c(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1	73642437	FRKMGWIXXKEELF-UHFFFAOYSA-N	381.432	3.871	5	40	GHBB	
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1	7341968	YMIWIJYNXMLOKJ-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
O=C(O)c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	4550841	RHUXRQIHMDTANE-OQLLNIDSSA-N	384.369	3.530	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O	3024519	FYRUOALIBJBFQU-RZNTYIFUSA-N	394.717	3.880	5	40	GHBB	
COc1cc(-c2n[nH]cc2CCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O	5545589	MXPQGXFDMKBWKG-UHFFFAOYSA-N	396.403	3.661	5	40	GHBB	
COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1	79071815	AKWLPKQGQLKHKA-UHFFFAOYSA-N	378.768	3.604	5	40	GHBB	
O=C(Nc1ccc(Br)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	57564013	ZSPKXLNXUMVHTG-UHFFFAOYSA-N	391.225	3.605	5	40	GHBB	
O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cccc([N+](=O)[O-])c1	12935315	XEEYIVVDTWZTLB-UHFFFAOYSA-N	380.429	3.866	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1	6547522	NZBLYFZVEJQCEV-UHFFFAOYSA-N	394.758	3.746	5	40	GHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc2[N+](=O)[O-])CC1	20142642	HSSCPPJHCAOFRO-UHFFFAOYSA-N	397.431	3.711	5	40	GHBB	
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br	949369	GNOJOLFROGXMHS-CMDGGOBGSA-N	378.178	3.924	5	40	GHBB	
CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1	6000420	WCLFLCRCSUOXIP-LLVKDONJSA-N	386.433	3.989	5	40	GHBB	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl	7706186	MPIQASROOPJYLB-LBPRGKRZSA-N	385.811	3.662	5	40	GHBB	
COc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-]	21183521	NIWOCURQDQZMQZ-KRWDZBQOSA-N	396.852	3.686	5	40	GHBB	
Cc1ccc(NC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-]	3127780	IJADPABCMGDEJO-UHFFFAOYSA-N	382.157	3.760	5	40	GHBB	
CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc([N+](=O)[O-])cc1	6265385	OCODTJGXQSVHEI-ZUZCIYMTSA-N	376.438	3.633	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1	8050919	HHTONDORZSAIFP-LBPRGKRZSA-N	381.429	3.594	5	40	GHBB	
COc1cc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F	12989314	WIAXGHGIKWLBIQ-XMXMHJJKSA-N	384.379	3.723	5	40	GHBB	
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C)CC3)c(O)n2n1	23157582	QCZAPIVZVWZZGH-OAHLLOKOSA-N	387.465	3.534	5	40	GHBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)-c1ccccc1CC2	32999794	AWXSGCGLRUGCRE-SFHVURJKSA-N	394.452	3.885	5	40	GHBB	
CCn1nccc1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1	71785162	OUSHGGJUXLTJKI-FQEVSTJZSA-N	377.404	3.873	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCc3ccccc3C2)C1	408606606	IZTMSSWVUUZJFQ-KRWDZBQOSA-N	385.851	3.521	5	40	GHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1	408626484	HOHUDHBXGAYEJB-UHFFFAOYSA-N	386.216	3.734	5	40	GHBB	
COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2)CSC3)cc1	4077213	OFQKURNNFRNQQG-UHFFFAOYSA-N	396.428	3.788	5	40	GHBB	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-]	5590704	LREQVHYRMQDPJO-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
COc1ccc2c(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc(=O)oc2c1	6762124	WCUQYUITDYLIAN-UHFFFAOYSA-N	389.747	3.720	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	8286498	DDOKODUAZXJQRB-UHFFFAOYSA-N	387.823	3.739	5	40	GHBB	
COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1OC(C)C	10542674	NXUMHAGVTPYKRO-UHFFFAOYSA-N	378.812	3.974	5	40	GHBB	
Cc1ccc(C)c([C@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1	18014185	XFPUXZAFXYVZOH-HNNXBMFYSA-N	397.431	3.777	5	40	GHBB	
COc1cc(-c2ccccc2)sc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	48200854	SWIQIVVTXMXIJJ-INIZCTEOSA-N	398.440	3.795	5	40	GHBB	
Cc1nc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n(CC(C)C)c1C	78768243	GRGSIVOBPJDQBZ-QGZVFWFLSA-N	388.493	3.962	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1	4749156	MDUBZKQAUGSJJP-UHFFFAOYSA-N	394.880	3.892	5	40	GHBB	
Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1C	4779220	OYRBYFYWEVWSLL-UHFFFAOYSA-N	382.372	3.850	5	40	GHBB	
Cc1cc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-]	7759567	MBMLSEGDTZYHQP-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
Cc1cc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)ccc1[N+](=O)[O-]	8393353	NHEOVXDRYLETDC-UHFFFAOYSA-N	385.380	3.788	5	40	GHBB	
O=[N+]([O-])c1ccc(CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)cc1	12361110	WTSHWJNGMACDAY-UHFFFAOYSA-N	383.838	3.652	5	40	GHBB	
CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccs1	26802757	DQRMBIQRCIQEKX-SFHVURJKSA-N	389.477	3.620	5	40	GHBB	
COC(=O)c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1	3432227	OKPGGVCTADYEAO-UHFFFAOYSA-N	384.266	3.532	5	40	GHBB	
COc1ccccc1Cc1nnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])s1	9489228	LASSTVUABYXTMN-UHFFFAOYSA-N	384.417	3.606	5	40	GHBB	
O=C(Cn1cc(-c2ccc(Cl)cc2)[n+]2c1CCC2)c1cccc([N+](=O)[O-])c1	13786983	PKGUZQJBKYGDFJ-UHFFFAOYSA-N	382.827	3.833	5	40	GHBB	
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Br	7363449	PZVAQFUDPLOPEJ-UHFFFAOYSA-N	385.239	3.775	5	40	GHBB	
Cc1cccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c1	7596531	TUXAANGSZUJHOZ-UHFFFAOYSA-N	378.388	3.758	5	40	GHBB	
Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-]	7759221	RKROZXLWWUKHDJ-UHFFFAOYSA-N	386.795	3.879	5	40	GHBB	
CCN(CC)C(=O)c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1	32900207	OSHRAUVWBSLARA-UHFFFAOYSA-N	384.436	3.518	5	40	GHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)cc1Cl	408568177	HVHOLRBHFAKIQS-YUFOMCJKSA-N	392.242	3.562	5	40	GHBB	
Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	5071716	FCMLWAMUCORHIN-KRWDZBQOSA-N	378.475	3.648	5	40	GHBB	
Cc1cccc(C)c1NC(=O)CNCCNc1ccc([N+](=O)[O-])cc1Cl	5943030	VHIARXYVRZWFKO-UHFFFAOYSA-N	376.844	3.505	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CC[C@H](C)Sc2ccccc21	6290513	QJVNUCBKZABRRT-ZDUSSCGKSA-N	388.445	3.900	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1	6506680	QTUPMPXVRUJVRD-NSHDSACASA-N	386.433	3.907	5	40	GHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1	8433649	HOKMJGKUXKFNOY-UHFFFAOYSA-N	399.186	3.706	5	40	GHBB	
Cc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	10810203	JHDPNJMNOXXCKT-CQSZACIVSA-N	377.466	3.763	5	40	GHBB	
COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1	408566004	DMJUUXJVVCFKNH-QGZVFWFLSA-N	388.424	3.834	5	40	GHBB	
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl	408622514	PSRNFIMFKKJTHR-UHFFFAOYSA-N	379.825	3.692	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCc1ccccc1-2	3176341	RQFFZTPGVSDYSR-UHFFFAOYSA-N	381.413	3.834	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O	5269022	WLTOZJYSSMERMZ-UHFFFAOYSA-N	381.363	3.505	5	40	GHBB	
COc1ccc(C2=N/C(=C\c3ccccc3OC(F)F)C(=O)O2)cc1[N+](=O)[O-]	5702940	PGHHGDAMOJJILS-WQLSENKSSA-N	390.298	3.549	5	40	GHBB	
O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccccc1[N+](=O)[O-]	6099650	BCDBYIFAEOASME-UHFFFAOYSA-N	398.231	3.675	5	40	GHBB	
O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1	6152796	XYNXTKAFUUQLMS-UHFFFAOYSA-N	377.400	3.837	5	40	GHBB	
CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc([N+](=O)[O-])c1	14409826	WSQUDCYSXBGOEG-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)c([N+](=O)[O-])c3)N21	260772234	MZMYRNYFBHJLEY-BVGQSLNGSA-N	384.461	3.978	5	40	GHBB	
CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21)c1ccccc1	409372628	NTLQBEFVIVWXLR-NBJYBMASSA-N	386.407	3.990	5	40	GHBB	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	579882195	VHGYHHBBVTWNFK-QLJPJBMISA-N	395.337	3.935	5	40	GHBB	
CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC	7360570	JPWPWLZEBRRQKL-UHFFFAOYSA-N	380.422	3.501	5	40	GHBB	
C[N@+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCC[C@@H](c2ccccn2)C1	247643604	IZDFKXJEEICTNW-GSJDKTLNSA-N	387.612	3.831	5	40	GHBB	biogenic,in-vitro
Cn1/c(=N\C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21	105891462	QGLDGRPIBFFURV-FYWRMAATSA-N	398.263	3.713	5	40	GHBB	
C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-]	6991238	DAYBYWSNTLPKSI-LLVKDONJSA-N	389.408	3.942	5	40	GHBB	
COc1ccc(-c2cc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)on2)cc1	57471002	DNHDHRNCFZVQHS-UHFFFAOYSA-N	394.431	3.581	5	40	GHBB	
C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1	3450153	ZMNLDOKHFIMOCG-GHMZBOCLSA-N	394.786	3.810	5	40	GHBB	
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nn3cc([N+](=O)[O-])cn3)cc12	6413288	HZLGUROJZIOKLW-UHFFFAOYSA-N	389.415	3.795	5	40	GHBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccccc1OCc1ccc(F)cc1	409313153	HUIKMUMKLAXODR-JXMROGBWSA-N	383.335	3.685	5	40	GHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nc(-c2ccc(Cl)cc2)no1	217891197	JFTOTTVNJSWEEF-RUDMXATFSA-N	384.779	3.628	5	40	GHBB	
O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc(F)cc1[N+](=O)[O-]	14077208	OKXAACWWZDQCJK-UHFFFAOYSA-N	393.444	3.706	5	40	GHBB	
CCOc1ccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1	4120127	PAKIGZJNNCHKSX-UHFFFAOYSA-N	399.472	3.668	5	40	GHBB	
CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C	4108676	UHOQCUJPFQKYCY-XAYKYTGQSA-N	387.436	3.687	5	40	GHBB	
O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccccc1	24217784	VSGOBPNJUSCTLP-UHFFFAOYSA-N	376.397	3.840	5	40	GHBB	
O=C(c1cccc([N+](=O)[O-])c1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3	12942157	UXBUQWHPTTVDAT-UHFFFAOYSA-N	394.427	3.834	5	40	GHBB	
O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1)c1ccccc1	5128815	BIVVVCHBTNBZQN-HXUWFJFHSA-N	375.384	3.646	5	40	GHBB	
O=[N+]([O-])c1ccccc1NCCCNS(=O)(=O)c1ccc2ccccc2c1	4703346	JLLQJBOPTQXJJW-UHFFFAOYSA-N	385.445	3.529	5	40	GHBB	
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4840215	ZCKNVNZVUVATCI-UHFFFAOYSA-N	394.387	3.602	5	40	GHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F	8709976	LLTNLHWMKMXQPM-JTQLQIEISA-N	389.362	3.872	5	40	GHBB	
O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl	72229247	HWRKXJQLMNDALV-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
NC(=O)c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	226340479	QFGVIBXRLROQRJ-UHFFFAOYSA-N	385.601	3.689	5	40	GHBB	
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])cc1OC	12827623	ODTUAPYPKQONBK-UHFFFAOYSA-N	377.422	3.590	5	40	GHBB	
Cc1nc2sccn2c1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C	23141469	PSDZLLMZGODSFN-UHFFFAOYSA-N	386.462	3.700	5	40	GHBB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1[N+](=O)[O-]	30835908	JAOVAJBDRSOTKB-UHFFFAOYSA-N	396.424	3.935	5	40	GHBB	
COc1ccc(OC)c(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1	725759	BBWQWKDCNPAKHC-NVNXTCNLSA-N	388.763	3.610	5	40	GHBB	
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1	1505893	GUBZTPHPPROGHE-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	6335269	SPJYYZLIJBSVRF-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl	19941784	RDIJVEYEWKKPQA-AWEZNQCLSA-N	377.809	3.690	5	40	GHBB	
O=C(c1ccccc1)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1	24206077	GRGXRTHJTLDEBR-HNNXBMFYSA-N	380.400	3.682	5	40	GHBB	
COc1cc(C=O)ccc1OCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	409412318	IRWNVYHTNYERBE-UHFFFAOYSA-N	399.186	3.740	5	40	GHBB	
Cc1nc2ccccc2nc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	32954452	MKKBTVINTGSMLB-UHFFFAOYSA-N	392.415	3.804	5	40	GHBB	
O=C(NC[C@@H]1CCCO1)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23	6624328	ORVPILFMZWKZNY-AWEZNQCLSA-N	397.434	3.501	5	40	GHBB	biogenic
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	71794794	UJNIQQGNOGMQPU-HNNXBMFYSA-N	375.384	3.740	5	40	GHBB	
O=C(N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccco1	787655	RNUJWGCAEZHQRV-LBPRGKRZSA-N	379.583	3.693	5	40	GHBB	
CN1C(=O)/C(=C/c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)c2ccccc21	3329625	RLLXEFPHTNUPEN-RVDMUPIBSA-N	392.440	3.997	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12	19284919	ZVWQGBHKFOPXGJ-GFCCVEGCSA-N	382.372	3.821	5	40	GHBB	
O=[N+]([O-])c1cccc([C@H](O)c2ccc([C@H](O)c3cccc([N+](=O)[O-])c3)s2)c1	504409429	HBGPGBIRLKUOTI-HDICACEKSA-N	386.385	3.728	5	40	GHBB	
COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-]	1009439	QLPGDEWSWXQJRF-UHFFFAOYSA-N	381.344	3.701	5	40	GHBB	
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2=O	846113	YNDUUNDQXJEZFB-UHFFFAOYSA-N	388.401	3.604	5	40	GHBB	
O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)c1	8048430	WRAJZENPBWFTES-HXUWFJFHSA-N	386.859	3.899	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	28264844	CEEDARFEXXWKRS-UHFFFAOYSA-N	389.411	3.798	5	40	GHBB	
O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccccc1[N+](=O)[O-]	12999465	ZBFCXYKPJSAXMF-UHFFFAOYSA-N	380.429	3.866	5	40	GHBB	
CC(=O)N(c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1)c1ccccc1F	7391575	LNJUGIRDXCYNAL-UHFFFAOYSA-N	389.412	3.737	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccco1)NC(=O)c1ccccc1	5003470	XHJOFYCTMXBHGM-AQTBWJFISA-N	377.356	3.597	5	40	GHBB	
O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	19229133	KMVUXNRMNCYGHU-CYBMUJFWSA-N	380.659	3.507	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	2753941	GJAUDQDZAFHGDY-GQCTYLIASA-N	395.337	3.569	5	40	GHBB	
O=[N+]([O-])c1ccc(CSc2nnc3nc(O)cc(-c4ccccc4)n23)cc1	4250070	PJNZEWUNCKMTGX-UHFFFAOYSA-N	379.401	3.697	5	40	GHBB	
COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1	6230140	PRPHWADXCIDHDO-UHFFFAOYSA-N	385.401	3.988	5	40	GHBB	
O=C1c2ccccc2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C[C@@H]1CCCO1	12561378	XAXIDWADNUKHOR-UGSOOPFHSA-N	387.823	3.994	5	40	GHBB	
CCOC(=O)/C=C1\CCC(Sc2ccccc2[N+](=O)[O-])=C1N1CCOCC1	3219716	QWJPBVBPCWTDPO-BUHFOSPRSA-N	390.461	3.514	5	40	GHBB	
CCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1	6045566	YQVFLRXCURQLAA-LLVKDONJSA-N	387.461	3.913	5	40	GHBB	
CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	5461190	KVICXUPNMKNDRV-DHZHZOJOSA-N	386.429	3.974	5	40	GHBB	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	5745963	CMBWFHWFLDKKQO-NWDGAFQWSA-N	388.807	3.771	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)c2ccccc2)cc1	18194323	CJGHOZOVATZDTO-UHFFFAOYSA-N	376.368	3.843	5	40	GHBB	
COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC	65086191	HHNYVUSZIURQJC-UHFFFAOYSA-N	378.812	3.628	5	40	GHBB	
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2s1	32674840	GNZPTJVYMZGAJB-INIZCTEOSA-N	381.457	3.814	5	40	GHBB	
O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc([N+](=O)[O-])cc1Cl	5079521	QBGVUHOVPLKBBU-UHFFFAOYSA-N	385.763	3.592	5	40	GHBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)oc1ccccc12	4108193	GMQSVPWDTCPMLT-UHFFFAOYSA-N	375.340	3.810	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1ccccc1	5184558	VHBSGJWPYDWLEH-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
COc1ccc(NC(=O)COc2ccc(Br)cc2F)c([N+](=O)[O-])c1	6507388	MPUGIHFSOHFWGF-UHFFFAOYSA-N	399.172	3.523	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2nc(C)sc2c1	7241941	IWHNSAGEQGUDIW-JTQLQIEISA-N	386.433	3.961	5	40	GHBB	
CCc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nnc2c1-c1ccc(F)cc1	9939229	NZNZKPGXILQDSD-UHFFFAOYSA-N	378.367	3.650	5	40	GHBB	
CC[C@@H](C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c1	20528906	QFMWTECRJLOYHN-LLVKDONJSA-N	389.364	3.941	5	40	GHBB	
C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[C@H]2CC[C@H]1C2	109010092	QKIPPCCRIMWCOB-ZJQBRPOHSA-N	375.450	3.769	5	40	GHBB	
CCNc1ccc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1[N+](=O)[O-]	12766645	CATYJDDBKFRWHR-UHFFFAOYSA-N	381.335	3.889	5	40	GHBB	
O=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccc(O)c(F)c1)c1ccc(O)c(F)c1	15017004	GRGRTTGBIAUAGU-UHFFFAOYSA-N	398.321	3.571	5	40	GHBB	
NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	409023435	XFSASBKKFGRXRK-XMHGGMMESA-N	387.395	3.873	5	40	GHBB	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1ccsc1[N+](=O)[O-]	40116234	QDFGPBHYOSQKQM-UHFFFAOYSA-N	388.474	3.593	5	40	GHBB	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2nc3ccccc3[nH]2)n1	5462730	DJEINSOEWCNUHY-UHFFFAOYSA-N	376.376	3.526	5	40	GHBB	
COc1ccc(NC(=O)CNc2cc(C)c(Cl)cc2OC)c([N+](=O)[O-])c1	6509371	FMYHFOMUVFQXDH-UHFFFAOYSA-N	379.800	3.624	5	40	GHBB	
Cc1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)c([N+](=O)[O-])c1	17076967	XOMZMRNGYNLBRG-UHFFFAOYSA-N	376.438	3.820	5	40	GHBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C	8562413	JEDBJIRKHBXGRT-ZDUSSCGKSA-N	385.420	3.529	5	40	GHBB	
Cc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1	21991189	SKJKRFQNNBCTEF-UHFFFAOYSA-N	397.460	3.738	5	40	GHBB	
CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225083184	SODHBLGGGJEVCR-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
Cc1cc(C)n(-c2ccccc2NC(=O)NCCNc2ccccc2[N+](=O)[O-])n1	48373962	QOZQEILOLPWLNN-UHFFFAOYSA-N	394.435	3.631	5	40	GHBB	
O=C(COC(=O)c1ccc2ccccc2n1)Nc1cc([N+](=O)[O-])ccc1Cl	3513822	ZMUTZEZWDVDZCE-UHFFFAOYSA-N	385.763	3.592	5	40	GHBB	
C[C@H]1CCc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C(N)=O)c2C1	4177491	UUHRFSVUYNDKCT-QMMMGPOBSA-N	393.852	3.786	5	40	GHBB	
Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1[N+](=O)[O-]	4505534	UQXAHRKDIKITQZ-UHFFFAOYSA-N	380.400	3.543	5	40	GHBB	
O=C(O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	4717969	SVASWLVOGPBBHE-CQSZACIVSA-N	383.187	3.847	5	40	GHBB	
COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	6490568	LBRAZEMALKYANO-UHFFFAOYSA-N	380.356	3.552	5	40	GHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)c1C	12851878	PYMGNHXCBOZRAK-UHFFFAOYSA-N	378.425	3.704	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1	21125809	CDUAJRNFEVVFJQ-UHFFFAOYSA-N	381.344	3.701	5	40	GHBB	
COC(=O)c1cccc(COC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1	32672174	HNMHKPGPSIVMLD-LBPRGKRZSA-N	375.402	3.605	5	40	GHBB	
CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	408628196	QOLNDCVLLMFLBM-UHFFFAOYSA-N	398.488	3.958	5	40	GHBB	
CC(C)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1	6928457	TZCGAXLZPUCRAG-UHFFFAOYSA-N	387.874	3.651	5	40	GHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc3C2)CC1	408610005	QATZPNMPWPVLOX-UHFFFAOYSA-N	399.878	3.911	5	40	GHBB	
CN1C[C@H](c2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565047	HLOGMWCJAAFGQF-XHBKTUGNSA-N	392.242	3.515	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccsc1	40154248	POHCKJLZBQRDTP-INIZCTEOSA-N	375.450	3.831	5	40	GHBB	
COc1ccc(CN2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1F	32916276	DZECLXIXWWJZKF-UHFFFAOYSA-N	396.422	3.613	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(Cn3c(C(F)(F)F)nc4ccccc43)c1)OCOC2	22989869	MSYFXOSIPHPWFU-UHFFFAOYSA-N	379.294	3.878	5	40	GHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1I	5514951	XHWTTWKHZCFIFG-JXMROGBWSA-N	394.168	3.851	5	40	GHBB	
C[C@H]1C[C@@H](C)CN(c2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])C1	16955937	JHTGQZZYSZYQNJ-PHIMTYICSA-N	376.848	3.846	5	40	GHBB	
CC1(C)N=C(N)N=C(N)N1c1cccc(/C=C\C=C/c2cccc([N+](=O)[O-])c2)c1	4823782	ZZVOXTZBGFEGTL-VHOZIDCHSA-N	390.447	3.507	5	40	GHBB	
Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1ccccc1	408566040	DPKWIZPXGWLUII-INIZCTEOSA-N	385.405	3.594	5	40	GHBB	
O=C(c1ccccc1)c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	36391528	CJLPVEFOMBAYEB-UHFFFAOYSA-N	393.365	3.510	5	40	GHBB	
CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1	8179683	VIKIDKPVNNMZOB-NVNXTCNLSA-N	386.747	3.518	5	40	GHBB	
O=C(O[C@H]1C[N+]2([O-])CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1	22066522	PNHAPLMCCXMFAI-QYYKVDRLSA-N	378.472	3.878	5	40	GHBB	in-vitro
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1	9485439	DIARKECIHIZWIR-UHFFFAOYSA-N	383.433	3.604	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nc(O)c3c(C)csc3n2)cc1[N+](=O)[O-]	408595317	GVJMFPIBSXKPST-UHFFFAOYSA-N	390.446	3.653	5	40	GHBB	
CCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)cc1	408534563	VNOIAOIVAOVKIT-UHFFFAOYSA-N	395.371	3.678	5	40	GHBB	
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1	22906911	FFOWFTJDWAQDRQ-FQEVSTJZSA-N	391.427	3.717	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1	5120646	CBZVPGHEWWJSAC-UHFFFAOYSA-N	382.441	3.971	5	40	GHBB	
Cc1cc(C)c2nc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	6272741	DZTAEFXEOITOGT-UHFFFAOYSA-N	398.444	3.580	5	40	GHBB	
O=C(/C=C/c1cccs1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	9338759	IHHHBTSBICEAFA-GQCTYLIASA-N	377.853	3.672	5	40	GHBB	
CCC(=O)Oc1cn(C[C@@H]2CCCO2)c2nc(CC)n3c4ccccc4nc3c12	13228226	UGYFRWTXQRSWBL-AWEZNQCLSA-N	392.459	3.894	5	40	GHBB	
CCNc1ccc(C(=O)NCc2cc3c(cc2OCC)C[C@@H](C)O3)cc1[N+](=O)[O-]	32741015	DMEIWPZELZPVFF-CYBMUJFWSA-N	399.447	3.679	5	40	GHBB	
CCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(NCc3ccco3)n2)cc1	38488512	PTKQVILHAARBCN-UHFFFAOYSA-N	397.391	3.819	5	40	GHBB	
CCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	39767706	AMNHJBQJOCYRHJ-UHFFFAOYSA-N	395.375	3.636	5	40	GHBB	
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NOCc1ccccc1	69947061	OJJPWZQOQOIHPW-UHFFFAOYSA-N	383.326	3.664	5	40	GHBB	
CCCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O	409234723	XSKBSQGDYRBZNA-UKTHLTGXSA-N	375.768	3.811	5	40	GHBB	
COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2	1940300	UWPHADPDEFSRHY-UHFFFAOYSA-N	380.809	3.837	5	40	GHBB	
CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	5865782	YZUYKMGTYMAYCY-UHFFFAOYSA-N	382.420	3.796	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccccc2Cl)c1	7574164	JYMRIWNQVRYQSD-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
Cn1c2ccccc2c2nnc(Sc3cc([N+](=O)[O-])c4nsnc4c3)nc21	12428116	RKRCPGPKMBXADU-UHFFFAOYSA-N	395.429	3.581	5	40	GHBB	
CCc1cccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1	12952852	ZYTLWEGSVVVIDN-MAUKXSAKSA-N	395.459	3.730	5	40	GHBB	
C[C@H]1CCN(C(=O)CSc2ncccc2[N+](=O)[O-])c2ccccc2S1	65693135	VMTMEJMCQJUZRZ-LBPRGKRZSA-N	375.475	3.999	5	40	GHBB	
COC(=O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	95471444	KSVOESNBDZTYPG-YBEGLDIGSA-N	398.396	3.618	5	40	GHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	103717978	AEJJZGAKLXTQCM-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1	103718080	JHZNSRHCXAHXIB-JTQLQIEISA-N	394.214	3.893	5	40	GHBB	
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1	1800420	WFSWSHCIZGRWED-QFIPXVFZSA-N	396.467	3.644	5	40	GHBB	
O=c1c2c3nc4ccccc4nc3n(C[C@H]3CCCO3)c2ncn1C1CCCC1	2252643	NMZYWZFWIKNVLM-OAHLLOKOSA-N	389.459	3.589	5	40	GHBB	
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	3563631	NVHXFDIUBCIPHS-KRWDZBQOSA-N	394.214	3.869	5	40	GHBB	
Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-]	7532333	CLRWCBGAOREYQG-KDOFPFPSSA-N	382.416	3.642	5	40	GHBB	
CC1CCN([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C(C)C)CC1	28416842	AZIAETNWFBRIDK-VQIMIIECSA-N	393.553	3.948	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CN3CCOc4ccc(C(F)(F)F)cc43)c1)OCOC2	84452255	BICJHSPQHYJTQS-UHFFFAOYSA-N	396.321	3.879	5	40	GHBB	
CC(=O)CCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	6219343	JTSMVJPYQWURKG-UHFFFAOYSA-N	376.796	3.787	5	40	GHBB	
CCCn1c(C)cc(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)c1C	4219448	OMMCTAIOZCPOPN-UHFFFAOYSA-N	390.461	3.941	5	40	GHBB	
COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1	5346456	JKULSARVEWFVOI-UHFFFAOYSA-N	375.380	3.972	5	40	GHBB	
Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c1	10187959	MHPOENLRECXOHZ-UHFFFAOYSA-N	377.400	3.674	5	40	GHBB	
O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c3cccnc3c2O)c(O)c2ncccc12	1717575	IDLYRQLIMDZRHY-UHFFFAOYSA-N	392.327	3.601	5	40	GHBB	in-vitro
CCCCCOC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	3022501	HSQSQPQGLLQGFJ-UHFFFAOYSA-N	382.372	3.742	5	40	GHBB	
COc1cc2c(cc1NC(=O)Cn1nc([N+](=O)[O-])cc1C)oc1ccccc12	4698608	LGXVOXRNZRSTKL-UHFFFAOYSA-N	380.360	3.646	5	40	GHBB	
Nc1nc(NCc2ccc(Cl)cc2)nc(NC2CCCCC2)c1[N+](=O)[O-]	5163948	DODCLILUCLJVGV-UHFFFAOYSA-N	376.848	3.977	5	40	GHBB	
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1ccc(CO)o1	20141029	GNSITWIAGTWENR-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
COc1cc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1OC1CCCC1	48281769	CMQACZIQJJSQEI-UHFFFAOYSA-N	385.420	3.558	5	40	GHBB	
O=C(Nc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	850985	IGUKHLMKHWEZMO-LGMDPLHJSA-N	377.356	3.597	5	40	GHBB	
CCOc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1	2723721	MEWUTSQYSDAUPV-UHFFFAOYSA-N	398.444	3.910	5	40	GHBB	
COc1cccc([C@@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c1	2796433	WVGXUHSJVKGLEJ-OAHLLOKOSA-N	394.431	3.648	5	40	GHBB	
CC[C@@H](C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C)c1ccccc1	4870622	URRKZVFNKKDNFS-OAHLLOKOSA-N	386.404	3.587	5	40	GHBB	
Cc1nn(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(C)c1[N+](=O)[O-]	8986664	UZONMSCPTZYATC-CQSZACIVSA-N	378.432	3.953	5	40	GHBB	
O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(C(F)(F)F)c1	12561592	HYBWXUJQQALZKF-UHFFFAOYSA-N	382.342	3.525	5	40	GHBB	
O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cccc([N+](=O)[O-])c1	12859415	QMBZVNZIRCOCLK-UHFFFAOYSA-N	377.803	3.990	5	40	GHBB	
O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1	24204137	OQZFSWWTRQYLHE-UHFFFAOYSA-N	382.347	3.612	5	40	GHBB	
O=C(CSc1nc(NC2CC2)c2ccccc2n1)Nc1ccccc1[N+](=O)[O-]	31784264	NKNZOGUALPRWDC-UHFFFAOYSA-N	395.444	3.843	5	40	GHBB	
O=[N+]([O-])c1cccc(-c2noc(CSc3nccc(C(F)(F)F)n3)n2)c1	31851195	ZLLIQCNEBBUFOE-UHFFFAOYSA-N	383.311	3.746	5	40	GHBB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O	103718934	FUKHWLQVQGIGBO-LLVKDONJSA-N	391.786	3.687	5	40	GHBB	
O=C1/C(=C\c2csc([N+](=O)[O-])c2)NC(=S)N1Cc1ccccc1Cl	104225867	SVNXYUPJYLRDRS-LFYBBSHMSA-N	379.850	3.568	5	40	GHBB	
CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	222766586	KZJIPOFZDFTFIZ-QZTJIDSGSA-N	380.429	3.852	5	40	GHBB	
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc(F)cc1	2483541	JIWUYPFTTBYZMY-UHFFFAOYSA-N	384.392	3.919	5	40	GHBB	
O=c1c([N+](=O)[O-])c(N(CCc2ccc(Cl)cc2)CC2CC2)nc2ccccn12	84606513	KJTBFLLOROECGU-UHFFFAOYSA-N	398.850	3.715	5	40	GHBB	
COc1ccc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)cc1[N+](=O)[O-]	16853167	YWRGMVYDCMXYGY-UHFFFAOYSA-N	383.429	3.954	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1[N+](=O)[O-]	408628647	VWYCAIJVYVNDIC-UHFFFAOYSA-N	381.413	3.883	5	40	GHBB	
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1[N+](=O)[O-]	4305057	OWYDKIYUWPCAIE-IBGZPJMESA-N	377.400	3.722	5	40	GHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccccc2)c1	7573781	OTWGLQLJJHDDDZ-UHFFFAOYSA-N	383.791	3.711	5	40	GHBB	
O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	3174286	FBGIYWVFXCUZCX-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
O=[N+]([O-])c1ccc(/C=C2\CCC(c3cc(O)ccc3O)=C2N2CCOCC2)cc1	3175927	GDCNESQDSRXMSB-DTQAZKPQSA-N	394.427	3.927	5	40	GHBB	
CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])c1	7981064	WIBSLGCXZXPXKL-LBPRGKRZSA-N	383.495	3.860	5	40	GHBB	
Cc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1[N+](=O)[O-]	12986431	GEMKMLKLBQRZGB-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1F	14037587	RSAZUWFVIVHWPK-UHFFFAOYSA-N	398.213	3.623	5	40	GHBB	
COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	20145191	SIVYVGVZAJRTBV-AATRIKPKSA-N	376.752	3.607	5	40	GHBB	
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1	20611852	VKDHROPGMWYFMS-OAHLLOKOSA-N	399.447	3.861	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cn3ccn(-c4ccccc4)c3=S)CC2)cc1	32909068	YOWRJOPAHZLKFK-UHFFFAOYSA-N	395.488	3.696	5	40	GHBB	
O=C(NC1CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F	84505962	RNYIJPCUUYNQMI-UHFFFAOYSA-N	376.409	3.794	5	40	GHBB	
CCCc1nc([C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)c2ccccc2)no1	78823511	PLANJXQSXAPLNK-MRXNPFEDSA-N	386.433	3.820	5	40	GHBB	
CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1	2443736	YJTHCRXFLDDWJN-UHFFFAOYSA-N	378.453	3.591	5	40	GHBB	
O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	3991786	AEPZLELXAZPBSM-UHFFFAOYSA-N	397.412	3.648	5	40	GHBB	
CCCNC(=O)C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1	49637932	NNZZNYGLGJACGM-UHFFFAOYSA-N	375.472	3.766	5	40	GHBB	
CCOc1ccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1	5031141	ILDJFMOHKRDJRP-STQMWFEESA-N	386.456	3.592	5	40	GHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](N2CCc3ccccc3C2)C1	408611495	SMBJYRDCMCMKBN-GOSISDBHSA-N	399.878	3.911	5	40	GHBB	
CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224779919	OKPGZIQPFFENCT-UHFFFAOYSA-N	384.841	3.780	5	40	GHBB	
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	11083331	CRCSLECGSAPBFZ-UHFFFAOYSA-N	384.823	3.765	5	40	GHBB	
COc1cccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	23050542	IGPBYYAAVDFMMO-UHFFFAOYSA-N	398.444	3.828	5	40	GHBB	
CCc1nc(N)nc(N)c1-c1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1	6294619	MKDIUOVQPQWTBF-GFCCVEGCSA-N	378.436	3.952	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCCCC1	7941328	OPNVCNSLBSAUSL-UHFFFAOYSA-N	383.448	3.519	5	40	GHBB	
CCOC(=O)c1oc2ccccc2c1CNc1nc2ccccn2c1[N+](=O)[O-]	58217753	LLYYKPRQBZJYLK-UHFFFAOYSA-N	380.360	3.778	5	40	GHBB	
C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2s1	84640129	JHRZIJDAALGWHQ-LLVKDONJSA-N	391.474	3.824	5	40	GHBB	
Cc1nn(C)cc1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1	71785153	MCLSWRALFABTQH-FQEVSTJZSA-N	377.404	3.698	5	40	GHBB	
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2=O)c1	5270083	PHHQZRCKVZJTFJ-UHFFFAOYSA-N	391.427	3.982	5	40	GHBB	
CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1[N+](=O)[O-]	24102828	NRBHZDXLZGRGLK-LJQANCHMSA-N	378.388	3.996	5	40	GHBB	
COc1ccc2c(=O)c3c(=O)n(-c4ccc(C)cc4)c(C(C)C)nc3oc2c1	2351295	MCGUZCGJXQHTIB-UHFFFAOYSA-N	376.412	3.933	5	40	GHBB	
O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	4837276	FLQGFCCKVBSYPN-GHRIWEEISA-N	377.356	3.597	5	40	GHBB	
CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1	95983347	LIWRRZBPFMJMFQ-GXFFZTMASA-N	395.506	3.648	5	40	GHBB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[C@@H]31	408760503	ZTBSHDZHUWXYMF-HXIANDDZSA-N	386.407	3.819	5	40	GHBB	
CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225030577	YWJNBBOKFYGGJR-UHFFFAOYSA-N	399.266	3.881	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	5003406	NCGCGYDZCHLEBK-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
CCN(CC)c1ccc(NC(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])cc1	26113385	DDAFBNZPDFWETD-UHFFFAOYSA-N	385.420	3.545	5	40	GHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCSc2ccc(F)cc21	11717668	BGQABVPWRYIHFJ-AWEZNQCLSA-N	375.425	3.889	5	40	GHBB	
Cc1ccc(C)c(Cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc2=O)c1	7574266	DATOXMSGIGLMOV-UHFFFAOYSA-N	391.427	3.982	5	40	GHBB	
O=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	17169597	CUUOBQCQVYGHQO-FPLPWBNLSA-N	382.401	3.772	5	40	GHBB	
NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1	44087338	NMTYRGSAJWCUOZ-UHFFFAOYSA-N	388.836	3.678	5	40	GHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1	2437055	SHJGCLGRLCVZGA-UHFFFAOYSA-N	385.427	3.702	5	40	GHBB	
CCOc1ccc([C@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1OCC	5899332	KQWHKYZZMDATCH-ZDUSSCGKSA-N	387.436	3.925	5	40	GHBB	
C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	8393254	YFWCLABVYSRWKE-GFCCVEGCSA-N	397.412	3.902	5	40	GHBB	
COc1ccc(CNc2nnc(Sc3ncccc3[N+](=O)[O-])s2)cc1	8775942	FHGWNBPCQHBACN-UHFFFAOYSA-N	375.435	3.613	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CC[C@H](C)Sc2ccccc21	9368577	MOVYDBJJOGJHSA-ZDUSSCGKSA-N	387.461	3.933	5	40	GHBB	
CCOCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2ccccc21	12378495	IVTKBRXKSLLAIU-VGESBEFTSA-N	397.456	3.788	5	40	GHBB	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1	20461307	QJMBFLLSONDNLC-VIFPVBQESA-N	391.449	3.752	5	40	GHBB	
O=C(CCN1CCSC[C@@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	96012953	VVFHFPQUHORULT-GOSISDBHSA-N	389.452	3.853	5	40	GHBB	
CC1(C)c2ccccc2N(CCC(=O)O)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2	3649777	MHCGTEBQHSVRDP-NRFANRHFSA-N	380.400	3.969	5	40	GHBB	
COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4032584	ZRJNXZWEXVTGLU-UHFFFAOYSA-N	384.417	3.520	5	40	GHBB	
COc1ccc(Nc2nc(NCc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])cc1	5249612	ZDWHFJPQEBINKA-UHFFFAOYSA-N	380.408	3.640	5	40	GHBB	
COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl	8489775	ZFKRIZJUYNSYIL-SNVBAGLBSA-N	379.800	3.705	5	40	GHBB	
CSc1nsc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)n1	13845297	GHZVXAXCNUVLKP-UHFFFAOYSA-N	399.504	3.509	5	40	GHBB	
COC(=O)c1ccc(C)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1	17076766	ARPGHJMWOFILOZ-UHFFFAOYSA-N	375.406	3.507	5	40	GHBB	
CCOC(=O)c1c(C)n(-c2ccccc2)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12	17299632	ZHDRMFQLGFSDQH-UHFFFAOYSA-N	385.332	3.638	5	40	GHBB	
COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1-c1ccccc1[N+](=O)[O-]	22055549	PCNPLNDGLOCZGS-UHFFFAOYSA-N	386.404	3.873	5	40	GHBB	in-vitro
CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	222766829	PIDNLSUWUJPWKG-QZTJIDSGSA-N	380.429	3.852	5	40	GHBB	
Cn1ncc2c(-c3ccc4c(c3)OCO4)c3oc4cc(O)cc(O)c4c3nc21	524729948	PBMCQFBGGRRJOM-UHFFFAOYSA-N	375.340	3.675	5	40	GHBB	biogenic
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1	57674828	PIYYCFBEGLCPJK-GOSISDBHSA-N	396.491	3.669	5	40	GHBB	
CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12	100252191	TVELOQVLHPVBCH-BFUOFWGJSA-N	399.476	3.686	5	40	GHBB	
COc1ccc2c(c1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C=C2C	2254487	LEESYJYUMXFAFQ-UHFFFAOYSA-N	388.445	3.994	5	40	GHBB	
CSc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1[N+](=O)[O-]	12975181	SXVNMSOBPXQQTN-UHFFFAOYSA-N	385.489	3.843	5	40	GHBB	
O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408667867	QMTTWGOIABFFKX-MRXNPFEDSA-N	376.368	3.707	5	40	GHBB	
CC(C)COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	20410851	QGPJPSLHYINFIN-UHFFFAOYSA-N	399.447	3.719	5	40	GHBB	
Cn1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21	5261384	SXRGJAQOJKWRGK-UHFFFAOYSA-N	387.779	3.535	5	40	GHBB	
O=C(OCc1ccc(F)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20816692	SEJCTQVQGPZPPT-UHFFFAOYSA-N	394.786	3.581	5	40	GHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	4553113	VETZHAUSHKGQDS-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
CN(C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	4585280	MNKDHDGSYQESJI-XFXZXTDPSA-N	396.472	3.813	5	40	GHBB	
CCC[C@H](C)NC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	4893450	LILKXUUMANBAFI-HNNXBMFYSA-N	399.447	3.669	5	40	GHBB	
COc1cc(NC(=O)O[C@H]2CCN3Cc4ccccc4N=C23)c(C)cc1[N+](=O)[O-]	5388612	LWVXWGFPAUTRAF-KRWDZBQOSA-N	396.403	3.778	5	40	GHBB	
O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])c(Br)c1	5397193	CHJURFSFATVWJY-QPEQYQDCSA-N	391.152	3.841	5	40	GHBB	
C[C@H](Sc1ncccn1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	7786074	LRSFMDGVCXEWMR-JTQLQIEISA-N	387.446	3.628	5	40	GHBB	
C[C@H](OC(=O)[C@]1(C)CC1(Cl)Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	8287297	PJICHSBCIYJOEI-RTHLEPHNSA-N	386.191	3.833	5	40	GHBB	
COc1cc(C(=O)OCc2nc(-c3ccccc3)oc2C)c([N+](=O)[O-])cc1OC	12240057	MJBLYXDOOYMKDH-UHFFFAOYSA-N	398.371	3.932	5	40	GHBB	
CCc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	2501369	HCNVTJQQYHZWLS-QGZVFWFLSA-N	378.475	3.594	5	40	GHBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1	5234910	ZNZXEISUNCTGRB-UHFFFAOYSA-N	391.630	3.812	5	40	GHBB	
C[C@H]1S[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O	5759333	NCYLDWWWWRCQQZ-VVVCHXIZSA-N	389.820	3.522	5	40	GHBB	
C[C@@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	8211518	KECWEMFYOBGRNY-LLVKDONJSA-N	378.226	3.647	5	40	GHBB	
CNc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)cc1[N+](=O)[O-]	36396861	JROJGAOFXBJXMW-UHFFFAOYSA-N	387.399	3.650	5	40	GHBB	
CCc1c(C)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2oc1=O	2315785	JBPDQOJYGWGYQW-UHFFFAOYSA-N	382.372	3.590	5	40	GHBB	
COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1	20140996	NBJNUTOAYLCCHZ-UHFFFAOYSA-N	382.372	3.916	5	40	GHBB	
CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	84792356	BZMBOKJMIHJWDU-MRXNPFEDSA-N	393.827	3.562	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	102609266	VQBFGGJLIQNINB-RCRDTURJSA-N	392.883	3.928	5	40	GHBB	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]	3262198	KJGUQZFHPGEZOS-UHFFFAOYSA-N	386.404	3.587	5	40	GHBB	
COc1ccccc1CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1	6123399	QLPSMCGDQKZAMD-HNNXBMFYSA-N	383.448	3.770	5	40	GHBB	
CCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)n1CC	20033738	YNWIYAXDFSZODM-UHFFFAOYSA-N	399.270	3.506	5	40	GHBB	
O=C(O)c1ccccc1-c1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12	65501954	IVINGVMVHLVFJL-UHFFFAOYSA-N	394.390	3.670	5	40	GHBB	
COc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1[N+](=O)[O-]	66017428	MUHMLTPDWCKNNC-AWEZNQCLSA-N	384.432	3.738	5	40	GHBB	
Cn1/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(Br)ccc21	101095537	NGSCIPWTGPPGBK-BMRADRMJSA-N	392.234	3.652	5	40	GHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-]	8560736	QLSTUCUROTVMGM-UHFFFAOYSA-N	389.364	3.799	5	40	GHBB	
Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)s2)cs1	36448824	ZWUKHYBNCHCUDA-UHFFFAOYSA-N	375.431	3.724	5	40	GHBB	
Cc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1	58160195	MZJMKXGAPVXDAP-UHFFFAOYSA-N	376.434	3.682	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1	6559202	MKERUTABCAQDLO-UHFFFAOYSA-N	383.448	3.959	5	40	GHBB	
CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	4740800	UNDSJJNTSKLZPK-UHFFFAOYSA-N	398.400	3.578	5	40	GHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(Oc2ccccc2)c1	32469694	IDOUWYDKFQMXQE-UHFFFAOYSA-N	384.413	3.866	5	40	GHBB	
COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	2742558	FXHIEZDHSMREGW-DHZHZOJOSA-N	386.429	3.974	5	40	GHBB	
O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc(Cl)c([N+](=O)[O-])c1	5154057	HXZFOZDHOIATAS-UHFFFAOYSA-N	385.807	3.726	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1	6558147	YKDUOGRJGRZKPZ-UHFFFAOYSA-N	392.452	3.938	5	40	GHBB	
O=C(Oc1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	6597821	ICRPUKHEKQCGBH-UHFFFAOYSA-N	383.381	3.647	5	40	GHBB	
O=C(c1ccc(F)cc1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1	7596477	QRUXMOHVFQSJEC-UHFFFAOYSA-N	382.351	3.589	5	40	GHBB	
O=c1c2ccccc2oc2nc(-c3ccccc3F)n(Cc3ccco3)c(=O)c12	2358705	PORGWQIXKSHMNU-UHFFFAOYSA-N	388.354	3.950	5	40	GHBB	
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1[N+](=O)[O-]	2628479	NEJCPWZJILGZMA-UHFFFAOYSA-N	377.404	3.832	5	40	GHBB	
O=C(N[C@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	3413807	ZGXZQLNSKLKRSN-KRWDZBQOSA-N	383.473	3.570	5	40	GHBB	
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2=O)c1	5270084	XRGCATZEVTUBRW-UHFFFAOYSA-N	391.427	3.982	5	40	GHBB	
COC(=O)c1ccc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)cc1	6871753	SZVKYBJZSKOWLG-UHFFFAOYSA-N	395.415	3.843	5	40	GHBB	
O=C(Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1)c1ccco1	8902739	ACBWTUHNRZBBPB-UHFFFAOYSA-N	398.356	3.895	5	40	GHBB	
O=C(NC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccccc1	32869740	SSHUTIUQIQBFET-UHFFFAOYSA-N	376.416	3.542	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1	6509346	JZEXMJYMJBSWIQ-UHFFFAOYSA-N	383.857	3.547	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	6788365	ZBDNZUJUKJUWBD-UHFFFAOYSA-N	383.857	3.547	5	40	GHBB	
Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1	855147	ZMKGYUPQXKGEAV-MRXNPFEDSA-N	398.893	3.993	5	40	GHBB	
O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-]	3154680	YZPWIBCPZFICDP-UHFFFAOYSA-N	388.335	3.615	5	40	GHBB	
C[C@@H](Oc1ccccc1[N+](=O)[O-])c1nc2c3c4c(sc3ncn2n1)CCC4	2787090	JYEPQYDUDVSFKG-SNVBAGLBSA-N	381.417	3.876	5	40	GHBB	
C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl	5692636	BCTUAVYKRZGGCM-MRVPVSSYSA-N	398.202	3.668	5	40	GHBB	
COC(=O)c1sc2nc(C)nc(Oc3cc(F)ccc3[N+](=O)[O-])c2c1C	7781664	MOFUNFFIXOODSE-UHFFFAOYSA-N	377.353	3.934	5	40	GHBB	
COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	9764313	RJKRDDWUAWLICG-UHFFFAOYSA-N	396.399	3.804	5	40	GHBB	
Cc1nc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n(CC(C)C)c1C	78768247	GRGSIVOBPJDQBZ-KRWDZBQOSA-N	388.493	3.962	5	40	GHBB	
COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1	225305454	JLVJMASADSNKEP-NYYWCZLTSA-N	382.401	3.774	5	40	GHBB	
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-]	13549718	QCFCOWMWNMFLQQ-SXGWCWSVSA-N	386.385	3.506	5	40	GHBB	
CCc1ccc2nc(-c3ccc(Cl)cc3)c3c(=O)n(C)c(=O)n(C)c3c2c1	12413491	SGDRXLKEROYYFM-UHFFFAOYSA-N	379.847	3.668	5	40	GHBB	
O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1)c1ccc(Cl)cc1	1036075	JFERLEJRHXMNRH-UHFFFAOYSA-N	393.782	3.537	5	40	GHBB	
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F	12533189	YIQDBAGWPHELEX-UHFFFAOYSA-N	375.690	3.680	5	40	GHBB	
Cc1nc2ccccc2nc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C	4751560	JYBBIPSRZQZWEV-UHFFFAOYSA-N	392.444	3.934	5	40	GHBB	
COc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC	1925565	FJDQOLOCTLFRIH-VGOFMYFVSA-N	388.763	3.610	5	40	GHBB	
C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	8393251	YFWCLABVYSRWKE-LBPRGKRZSA-N	397.412	3.902	5	40	GHBB	
Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)ccc1[N+](=O)[O-]	24931233	RUZNCXTVKYTUMX-IBGZPJMESA-N	390.443	3.955	5	40	GHBB	
CNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	12791901	QKARGGOCPOBPIU-QGZVFWFLSA-N	397.431	3.775	5	40	GHBB	
O=C(Nc1cc2ncccc2c2cccnc12)N1CCN(c2ccccn2)CC1	408977526	WKWKXFNLNHAADH-UHFFFAOYSA-N	384.443	3.532	5	40	GHBB	
COc1cc(NC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)c(C)cc1[N+](=O)[O-]	5388599	LWVXWGFPAUTRAF-QGZVFWFLSA-N	396.403	3.778	5	40	GHBB	
CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]	2661299	WZKALPJLAGFZFU-BUHFOSPRSA-N	396.443	3.979	5	40	GHBB	
Cc1cc(C)c2nc3s/c(=C\c4cc([N+](=O)[O-])ccc4Cl)c(=O)n3c2c1	8564479	JFWAPPSHZHZYCG-NVNXTCNLSA-N	385.832	3.635	5	40	GHBB	
Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C	18078715	OVZOPCQNCHRASY-UHFFFAOYSA-N	395.459	3.523	5	40	GHBB	
O=C(Nc1ncc(Cc2ccccc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2	32722422	SFWLNIQSLQKWCX-UHFFFAOYSA-N	383.385	3.623	5	40	GHBB	
CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1/C=C/Nc1ccccn1	100324737	JLSAZHVXCPWZCY-ZRDIBKRKSA-N	387.395	3.996	5	40	GHBB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1	2502978	LOLDPCKJDARJHH-HXUWFJFHSA-N	395.440	3.910	5	40	GHBB	
O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc([N+](=O)[O-])cc1	5259232	KIZDQKBXEXHRQF-UHFFFAOYSA-N	389.415	3.904	5	40	GHBB	
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1Cl	6764308	AWOKQULQRZNIGX-UHFFFAOYSA-N	393.186	3.882	5	40	GHBB	
Cc1nn(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(C)c1[N+](=O)[O-]	8517740	FGOQUFQITYKTBY-KRWDZBQOSA-N	388.424	3.515	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2	12979450	LBTGVEDNCLGLAO-UHFFFAOYSA-N	399.491	3.955	5	40	GHBB	
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Br)o1	13924081	PHJTYHXUTZYXII-POHAHGRESA-N	397.568	3.948	5	40	GHBB	
Cc1c(CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cccc1[N+](=O)[O-]	47354313	NIUGOXZXDRZULR-HXUWFJFHSA-N	379.372	3.617	5	40	GHBB	
COc1ccc(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1[N+](=O)[O-]	58171309	FGNSQRFTUXVWRT-UHFFFAOYSA-N	397.475	3.765	5	40	GHBB	
COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1[N+](=O)[O-]	3265426	ORQRWYCHNAPVHQ-UHFFFAOYSA-N	397.412	3.589	5	40	GHBB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	9301111	GYTQWQDOZABPNL-MXEMCNAFSA-N	387.395	3.664	5	40	GHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCN(c2cccc(C)c2C)CC1	57674825	PIYYCFBEGLCPJK-SFHVURJKSA-N	396.491	3.669	5	40	GHBB	
COc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	107862696	ZGKMDGWFSVUYNN-UHFFFAOYSA-N	397.412	3.990	5	40	GHBB	
COc1ccc([C@H](CN2CCCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1	95468672	LOAILXYQURKRDG-KRWDZBQOSA-N	381.436	3.500	5	40	GHBB	
O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1	409133062	MEVBVRTWAQJZCV-HXUWFJFHSA-N	395.440	3.910	5	40	GHBB	
O=C1N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1	409194632	KSYRBYQEOMAFNK-SFQUDFHCSA-N	389.367	3.948	5	40	GHBB	
CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	5644269	WZWRJSJVWVBFNW-UHFFFAOYSA-N	388.855	3.642	5	40	GHBB	
C[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C(N)=O)c2C1	4177485	TYTFSEOVTSLWGF-QMMMGPOBSA-N	393.852	3.786	5	40	GHBB	
COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1OC	2709010	UABJURUGPCIYDM-UHFFFAOYSA-N	386.433	3.700	5	40	GHBB	
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	8369904	ZGWALTCELKFCEZ-GOSISDBHSA-N	396.472	3.643	5	40	GHBB	
CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1	9185259	WZOCDZHRDVGBEN-UHFFFAOYSA-N	379.416	3.877	5	40	GHBB	
C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)C1	13748839	LYBXZJIVDKLSHV-PHIMTYICSA-N	376.848	3.846	5	40	GHBB	
O=C(c1ccc(OCc2ccncc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21	40071999	BYZLWALYLPSSNR-UHFFFAOYSA-N	375.384	3.772	5	40	GHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2c(C)cc(C)cc2C)NC(=O)N1	3358026	HXEPXURWKAXYGT-LJQANCHMSA-N	394.431	3.787	5	40	GHBB	
Cc1c(C(=O)NC(=S)/N=c2/[nH]c(-c3ccccc3)cs2)cccc1[N+](=O)[O-]	4703928	NSFVBUUFAKBTRT-UHFFFAOYSA-N	398.469	3.575	5	40	GHBB	
Cc1cc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-]	5511669	XIEKZTHENGCBKV-UHFFFAOYSA-N	382.203	3.579	5	40	GHBB	
CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	11707677	IZXDSHLYFFKNAJ-UONOGXRCSA-N	387.436	3.680	5	40	GHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(O)c1	33606068	MGLIHQKTTDYLBB-UHFFFAOYSA-N	397.412	3.996	5	40	GHBB	
COc1c(OC(F)F)ccc(CNCCCNc2ccccc2)c1[N+](=O)[O-]	89420687	HEYBGQYEJYITAK-UHFFFAOYSA-N	381.379	3.797	5	40	GHBB	
CC(=O)Oc1c([N+](=O)[O-])cc2oc(C)c(C(=O)c3ccccc3)c2c1[N+](=O)[O-]	1304319	YNLIXHTYZGVNMO-UHFFFAOYSA-N	384.300	3.714	5	40	GHBB	
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	10965921	DTCIOGXSJSACIW-UHFFFAOYSA-N	396.321	3.956	5	40	GHBB	
CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1	20529108	TYRDDZAWUUMVJY-UHFFFAOYSA-N	375.337	3.553	5	40	GHBB	
Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)nc2c1C(=O)CC(C)(C)C2	20633886	WQGRTIZTOJRYHY-UHFFFAOYSA-N	388.811	3.754	5	40	GHBB	
CN(C)C1=NC(c2ccc([N+](=O)[O-])cc2)=N[C@H](c2ccc([N+](=O)[O-])cc2)S1	36293458	DOCWTHXVWMGIHE-INIZCTEOSA-N	385.405	3.613	5	40	GHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1	214764380	WBMDYNIABFWPEK-MHWRWJLKSA-N	397.412	3.578	5	40	GHBB	
CCOc1ccc(NC(=O)COc2ccc(Br)cc2)c([N+](=O)[O-])c1	4976835	GASIXNNGIOCZEJ-UHFFFAOYSA-N	395.209	3.774	5	40	GHBB	
O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccc([N+](=O)[O-])cc1	5416607	CAJLDQPNHSQMKK-UHFFFAOYSA-N	386.379	3.728	5	40	GHBB	
CCOC(=O)C1CCN(C(=O)Nc2cc3cccnc3c3cccnc23)CC1	33777653	UZHFLBDICRQUJN-UHFFFAOYSA-N	378.432	3.590	5	40	GHBB	
COc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1	48252742	ULBUZDUNSYWQAI-MRXNPFEDSA-N	375.450	3.831	5	40	GHBB	
O=C(O[C@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1	100371992	OYYDSUSKLWTMMQ-NUNAXRQHSA-N	392.519	3.770	5	40	GHBB	world
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1C	7043939	YQPKHZVWZQUDOG-UHFFFAOYSA-N	397.460	3.912	5	40	GHBB	
COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCC(=O)O	5636854	PTOFYNLLKNLRKG-VMPITWQZSA-N	380.356	3.785	5	40	GHBB	
CCCCCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1	408734385	PBGZOOBIYRQBFF-INIZCTEOSA-N	387.358	3.557	5	40	GHBB	
Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1-c1ccc(CO)o1	20144856	KTAVFPBCCVAGQQ-UHFFFAOYSA-N	382.372	3.673	5	40	GHBB	
O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17080770	HPWAFBZCLYHOIL-UHFFFAOYSA-N	395.337	3.703	5	40	GHBB	
C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)C1	13713788	YXEZSGUHVDQCGP-PHIMTYICSA-N	376.848	3.846	5	40	GHBB	
CN(Cc1ccc(OC(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	15300270	YQWADUNEAHJVIB-UHFFFAOYSA-N	380.347	3.695	5	40	GHBB	
Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1	9426754	DUFXAEPSMYOJHZ-UHFFFAOYSA-N	383.433	3.728	5	40	GHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1nc(-c2ccsc2)no1	7949435	RZSNMKYYZOZDKW-LBPRGKRZSA-N	386.433	3.859	5	40	GHBB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\SC(=O)N(c2ccccc2)C1=O	408821561	IWWNVPBAGJDTOM-SXGWCWSVSA-N	386.385	3.853	5	40	GHBB	
CN1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	216930005	CWPZEPMTPACODI-UHFFFAOYSA-N	389.839	3.974	5	40	GHBB	
Cc1sc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-]	40108762	PNCLMNGCGOTITG-UHFFFAOYSA-N	388.371	3.611	5	40	GHBB	
Cc1ccccc1CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1	5107668	SUGHAEAMLMPUMU-UHFFFAOYSA-N	398.444	3.817	5	40	GHBB	
COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4840249	OHIKZCKWKUIABV-UHFFFAOYSA-N	398.415	3.763	5	40	GHBB	
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	8327729	NVHXFDIUBCIPHS-QGZVFWFLSA-N	394.214	3.869	5	40	GHBB	
Cc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	30755264	MXQILFGQQNBSEO-HXUWFJFHSA-N	382.441	3.971	5	40	GHBB	
CCOc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	5016818	IAKAUJJYIXVVJP-UHFFFAOYSA-N	382.416	3.729	5	40	GHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc2c1CCCC2	5935609	LTEHDSRDPCJFHR-UHFFFAOYSA-N	375.402	3.759	5	40	GHBB	
O=[N+]([O-])c1ccc([C@H](O)CNc2nc(-c3ccncc3)nc3ccccc23)cc1	25677235	ACNBEYMCLJWXBX-LJQANCHMSA-N	387.399	3.746	5	40	GHBB	
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1	4479514	XWYUFCHFFKJPPT-UHFFFAOYSA-N	389.165	3.660	5	40	GHBB	
O=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	3197191	NPRNIZMAQWOFMH-UHFFFAOYSA-N	388.335	3.615	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1F	3445056	ZKFPCLALEHSLJM-UHFFFAOYSA-N	399.172	3.523	5	40	GHBB	
CSc1cccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1	6552029	FPLPOVNHZAEFDG-UHFFFAOYSA-N	393.490	3.845	5	40	GHBB	
C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCc1ccccc1[N+](=O)[O-]	21868456	WZSQOYWBOUOONP-GFCCVEGCSA-N	392.408	3.538	5	40	GHBB	
O=C(CSc1ccsc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1	32933521	HKJSJMDFKLURBU-UHFFFAOYSA-N	377.447	3.514	5	40	GHBB	
O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(Br)o1	4472038	UNEZSKOVIOIAMN-WDZFZDKYSA-N	397.568	3.948	5	40	GHBB	
Cc1ccc(-n2ncc3c2ncn2c(-c4cccc([N+](=O)[O-])c4)nnc32)cc1C	5163967	VLSKTFFLTZCCPV-UHFFFAOYSA-N	385.387	3.655	5	40	GHBB	
Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(Br)c1	7980810	MVRBBZLTHRZRFL-UHFFFAOYSA-N	386.223	3.862	5	40	GHBB	
CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	12601806	WSZUNOMLKCYSEX-INIZCTEOSA-N	380.404	3.847	5	40	GHBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)o2)c([N+](=O)[O-])c1	20140667	PVUMCLKMIPPWGT-UHFFFAOYSA-N	398.327	3.520	5	40	GHBB	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1cccnc1	31942102	JIQFTVMKCAPZBA-GOSISDBHSA-N	380.448	3.570	5	40	GHBB	
O=C(O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1	6505306	JESIPYYDCRKROU-ZDUSSCGKSA-N	383.187	3.847	5	40	GHBB	
Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21	8808360	AFOLBOQVIRIUMX-UHFFFAOYSA-N	376.825	3.866	5	40	GHBB	
Cc1ccc2c(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cccc2n1	21595692	WQBONQKIAIMHFW-UHFFFAOYSA-N	380.429	3.887	5	40	GHBB	
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(F)c(Cl)c1	4657250	SOZGHYVZONRXIX-UHFFFAOYSA-N	375.187	3.965	5	40	GHBB	
CC(=O)Nc1nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cs1	4733050	XMBZEKUIMUWEDB-UHFFFAOYSA-N	382.401	3.929	5	40	GHBB	
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccccc2[N+](=O)[O-])n1C	7871073	FIZITWQQRSUKQP-CYBMUJFWSA-N	397.460	3.507	5	40	GHBB	
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1	4305066	KRWNOAQNFXPTNE-IBGZPJMESA-N	377.400	3.722	5	40	GHBB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-]	40133369	OTLLUFXIDKLKOE-UHFFFAOYSA-N	396.422	3.738	5	40	GHBB	
CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	6396896	AMKUREWVSJAGCN-UHFFFAOYSA-N	386.364	3.884	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)OC[C@@H]1CC1(Cl)Cl	10723045	APQJWYDEULMYJZ-LBPRGKRZSA-N	376.239	3.892	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)cc1	5192221	LMBWDIXWTLUGHM-UHFFFAOYSA-N	384.371	3.992	5	40	GHBB	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2	4680839	PBGGNLQFOXFUHG-UHFFFAOYSA-N	393.852	3.930	5	40	GHBB	
COc1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1	5107874	SINARQRLKDOEKX-UHFFFAOYSA-N	396.428	3.791	5	40	GHBB	
CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21	32146459	CXULXUNXQWVIAZ-GOSISDBHSA-N	376.416	3.930	5	40	GHBB	
O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1	32582246	FOLAZFCTHWUMAY-UHFFFAOYSA-N	389.795	3.846	5	40	GHBB	
O=[N+]([O-])c1ccc(NCC2(c3cccc(Br)c3)CCOCC2)nc1	52487304	YKZWQDKEYVLBRR-UHFFFAOYSA-N	392.253	3.913	5	40	GHBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCc2ccccc2C1	3283314	LSFYSVLVBVJVTN-UHFFFAOYSA-N	385.470	3.882	5	40	GHBB	
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc(OC(F)(F)F)cc1	6789118	KFARSHGOADBCIO-LZCJLJQNSA-N	396.277	3.874	5	40	GHBB	
O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1	9708087	UHPBVPQVDQPDDM-OAQYLSRUSA-N	388.427	3.524	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1c(Cl)cccc1Cl	13676773	PDHLAHOBPVXUJR-UHFFFAOYSA-N	391.232	3.852	5	40	GHBB	
C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57452052	WWUKVTDVTXHROX-CYBMUJFWSA-N	385.449	3.590	5	40	GHBB	
CCn1c2c(s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1)CCc1ccccc1-2	408560414	COXLMRRAFDQBEO-MRCUWXFGSA-N	379.441	3.984	5	40	GHBB	
CCc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc([N+](=O)[O-])c2)cc1	2501368	HCNVTJQQYHZWLS-KRWDZBQOSA-N	378.475	3.594	5	40	GHBB	
O=C(C[C@H]1C=CCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	23325349	JXQWYRAFMRBBHO-AWEZNQCLSA-N	386.429	3.722	5	40	GHBB	
CNc1ccc(C(=O)c2ccccc2C(=O)NCc2cccs2)cc1[N+](=O)[O-]	28409463	QCQALICFZZGMHB-UHFFFAOYSA-N	395.440	3.859	5	40	GHBB	
CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	25350459	QSDDAYVWPOVQHU-UHFFFAOYSA-N	383.404	3.624	5	40	GHBB	
CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1	13750810	NMXGEDPOOCVQLE-UHFFFAOYSA-N	379.416	3.797	5	40	GHBB	
COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1	5458794	GRMBUZOBBKXXCU-UHFFFAOYSA-N	393.237	3.947	5	40	GHBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2Cl)CC1	2707857	IVNLGARTVUCTFF-UHFFFAOYSA-N	380.231	3.864	5	40	GHBB	
O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1)c1ccccc1	4893764	BIPSEZQQKRGRRD-SILNSSARSA-N	393.443	3.768	5	40	GHBB	
O=C(OCCOC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1	7981087	FOSFHEDNIFEDBR-UHFFFAOYSA-N	398.415	3.599	5	40	GHBB	
CCOc1cc2c(cc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)O[C@H](C)C2	12937833	YIBWYGCJHFKBCM-GFCCVEGCSA-N	386.404	3.968	5	40	GHBB	
COc1ccc(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC	8704993	PPVRTKXEKFGNHO-UHFFFAOYSA-N	392.839	3.857	5	40	GHBB	
Cc1sc2nc3c4ccccc4c(NC[C@H]4CCCO4)nn3c(=O)c2c1C	723835	ZFFYXQLPZAGUBH-CYBMUJFWSA-N	380.473	3.665	5	40	GHBB	
CCOc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1	2974609	AQYJMZLHQAXLLE-JOCHJYFZSA-N	396.467	3.644	5	40	GHBB	
CC(=O)n1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c2ccccc21	17023356	KPYYXVSIJVCYGO-LICLKQGHSA-N	375.340	3.554	5	40	GHBB	
O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1	5266031	FHUOZKDCYLRQMO-UHFFFAOYSA-N	380.404	3.504	5	40	GHBB	
CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1	5950758	TTZARHCVISKIQK-UHFFFAOYSA-N	392.209	3.958	5	40	GHBB	
CCc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1	2921923	AWEMMHFHLYZBPG-QFIPXVFZSA-N	380.468	3.808	5	40	GHBB	
O=[N+]([O-])c1cccc(Oc2cc(Br)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	104109260	LSJPISVOOPUJNB-UHFFFAOYSA-N	384.098	3.966	5	40	GHBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1	48310359	OCANHHDRTPSQPM-HZPDHXFCSA-N	396.491	3.706	5	40	GHBB	
O=C(NCC1CCCCCCC1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	95364891	PFCKNXBZTMHDMF-HNNXBMFYSA-N	391.443	3.564	5	40	GHBB	
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1	89651296	HVSIMHBHBDJXJQ-UHFFFAOYSA-N	389.202	3.606	5	40	GHBB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	222798990	TXFQLNPRXBVWBI-OALUTQOASA-N	393.472	3.773	5	40	GHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccnc1SC(F)F	7284280	HGDOEIXVDXBTHP-UHFFFAOYSA-N	398.343	3.528	5	40	GHBB	
N=c1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1	20149884	OMMITXGXKCOZGJ-UHFFFAOYSA-N	386.411	3.762	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1[N+](=O)[O-]	6546827	VTJBWIVBOMVSRA-UHFFFAOYSA-N	381.413	3.889	5	40	GHBB	
Cc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1C	8209223	GZAURXUNCJFMGE-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2	12562444	IZIJPHPYJFZAHV-CHWSQXEVSA-N	385.420	3.756	5	40	GHBB	
Cc1ccc(C(=O)NC(=S)/N=c2/[nH]c(-c3cccc([N+](=O)[O-])c3)cs2)cc1	9087979	DOZABFYJTCINOT-UHFFFAOYSA-N	398.469	3.575	5	40	GHBB	
O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1	5165801	ATOWQPNDPZCGBY-UHFFFAOYSA-N	399.584	3.961	5	40	GHBB	
O=C(CN1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1)Nc1ccccc1	8980950	MHJCZYBDNUQDLX-UHFFFAOYSA-N	388.855	3.763	5	40	GHBB	
Cc1nn(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(C)c1[N+](=O)[O-]	12687411	UBEBRLZIGKCIBU-UHFFFAOYSA-N	391.387	3.855	5	40	GHBB	
COc1ccc(-n2c(Cn3nc(C)c([N+](=O)[O-])c3C)nc3ccccc32)cc1	28186587	UQPAUPBJIMQPPU-UHFFFAOYSA-N	377.404	3.804	5	40	GHBB	
Cc1cccc2c1N(C(=O)CCCn1c(=O)oc3cc([N+](=O)[O-])ccc31)CCC2	53896331	ZFQLGMNFDVJVQA-UHFFFAOYSA-N	395.415	3.571	5	40	GHBB	
Cc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C	59095460	OEKNXKOKVBWOKN-UHFFFAOYSA-N	398.444	3.586	5	40	GHBB	
CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	222757953	DOCAOIJOUBPSOU-ZWKOTPCHSA-N	380.429	3.852	5	40	GHBB	
O=C(NCc1cccnc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F	3015962	UTZUCLZIMXQKQA-UHFFFAOYSA-N	399.328	3.685	5	40	GHBB	
C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	6544069	MLXHWHZKKSFJAQ-LBPRGKRZSA-N	384.417	3.688	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2	15179494	NGEFJZOASQHCKU-GFCCVEGCSA-N	385.445	3.862	5	40	GHBB	
NC(=O)c1ccc(C(F)(F)F)n(Cc2nc3ccccc3c3ccccc23)c1=O	31799228	XFBHNWCNHJDTEN-UHFFFAOYSA-N	397.356	3.716	5	40	GHBB	
Cc1cc2occ(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1C	32990856	UMSVGZRLMXTUFH-UHFFFAOYSA-N	393.443	3.849	5	40	GHBB	
O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	7842756	AHMYLDHKOWRIRW-JOCHJYFZSA-N	390.439	3.967	5	40	GHBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1	11914881	OBTZHMRURSRYEU-UHFFFAOYSA-N	397.456	3.990	5	40	GHBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCOc2ccccc2)CC1	13039978	YOFPVESWTBMYBQ-UHFFFAOYSA-N	395.381	3.815	5	40	GHBB	
O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3Cl)o2)nc1NC1CC1	26695482	CHVHKTMLYNAHEP-UHFFFAOYSA-N	390.812	3.814	5	40	GHBB	
COc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1	936298	BWRKCSCAJJZUQO-XBXARRHUSA-N	385.401	3.874	5	40	GHBB	
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(NCc2ccco2)s1	32923344	BJBUBMZMKICZNF-UHFFFAOYSA-N	392.418	3.589	5	40	GHBB	
CC(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)c(C)oc2c1OC(C)=O	2322750	SEZIYANQEKHIFD-UHFFFAOYSA-N	397.339	3.527	5	40	GHBB	
COc1cccc([C@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c1	2796432	WVGXUHSJVKGLEJ-HNNXBMFYSA-N	394.431	3.648	5	40	GHBB	
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NCC12CC3CC(CC(C3)C1)C2	40115099	QSJZVHFWVOHGQY-UHFFFAOYSA-N	382.464	3.667	5	40	GHBB	
O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cccc2c(=O)c3ccccc3[nH]c12	683637796	GRWSJRVQMVHZPG-MRXNPFEDSA-N	384.435	3.674	5	40	GHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1	5517343	UYNWHGNOPMSVSM-MRXNPFEDSA-N	386.795	3.515	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc2ccccc12	7061544	GDMTULUZFJELAL-UHFFFAOYSA-N	380.356	3.552	5	40	GHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)s1	9866654	LYHRGFUFXQWFAV-UHFFFAOYSA-N	393.852	3.930	5	40	GHBB	
COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c([N+](=O)[O-])c1	28260744	DIJHIXXWRYQEBZ-UHFFFAOYSA-N	392.433	3.726	5	40	GHBB	
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccnc2c1ccc1ccccc12	40384339	VMUFIEWTGDCBRA-UHFFFAOYSA-N	381.391	3.623	5	40	GHBB	
COC(=O)[C@@H](CNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1	78903440	GEFPTNHBROZGDS-SFHVURJKSA-N	392.415	3.729	5	40	GHBB	
O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)cc1	1807644	NYNOFELJAQGCGS-UHFFFAOYSA-N	399.378	3.529	5	40	GHBB	
O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1cc([N+](=O)[O-])ccc1F	6086665	KJEMJJFASPBARE-MRXNPFEDSA-N	399.407	3.840	5	40	GHBB	
Cc1c(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cccc1[N+](=O)[O-]	6545643	JHNJPDGEMNTMMZ-UHFFFAOYSA-N	381.413	3.889	5	40	GHBB	
O=C(COc1ccc2ccccc2c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	10964038	JWKIPCWEMWXZLQ-UHFFFAOYSA-N	394.383	3.927	5	40	GHBB	
Cc1ccc(/C=C/C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)o1	12622918	MGMZYEQLYQADOD-MDZDMXLPSA-N	394.387	3.751	5	40	GHBB	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([C@@H](O)c2ccccc2)CC1	23383580	STNCERGPGSKZQH-NRFANRHFSA-N	395.459	3.755	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C	223321824	XDBOVASJAVNWQH-UHFFFAOYSA-N	394.449	3.845	5	40	GHBB	
CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC	409367856	IIEAHYSCVTYHIO-UHFFFAOYSA-N	393.779	3.695	5	40	GHBB	
Cc1ccc(-c2nc(NC(=O)CCn3cc([N+](=O)[O-])cn3)sc2C)cc1C	2744057	QXJLOJNVFBGZBY-UHFFFAOYSA-N	385.449	3.869	5	40	GHBB	
Cc1c(OCC(=O)N=c2[nH]c3ccccc3[nH]2)ccc2c1oc(=O)c1ccccc12	6664234	AHNHMBXTEQLTNS-UHFFFAOYSA-N	399.406	3.570	5	40	GHBB	
C[C@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	12545613	RHVUKEPJZIDCPC-GFCCVEGCSA-N	393.875	3.812	5	40	GHBB	
COc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1	27992403	IJGFLJWEAOMWFO-UHFFFAOYSA-N	393.399	3.611	5	40	GHBB	
CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3C[C@@H](C)C[C@H](C)C3)nc21	28629316	QKOFAXODBHLJGU-KBPBESRZSA-N	395.467	3.980	5	40	GHBB	
C[C@H](c1ccc(F)cc1F)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2	84651683	VVCLKGMJTSQCFE-SKVICXGVSA-N	383.372	3.749	5	40	GHBB	
Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	409184924	YWPNLRIYEZAJCP-UHFFFAOYSA-N	396.424	3.988	5	40	GHBB	
Cc1cccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1[N+](=O)[O-]	24733440	RUHPCLYCBQLVPK-UHFFFAOYSA-N	396.230	3.921	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1	38856352	ONJYWDVKVDBQGK-HNNXBMFYSA-N	387.411	3.593	5	40	GHBB	
Cc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1	14009705	QHLNJHKHKGYNDK-UHFFFAOYSA-N	394.250	3.793	5	40	GHBB	
Cc1ccc(-n2ncc3c2ncn2c(-c4ccc([N+](=O)[O-])cc4)nnc32)c(C)c1	5255180	OKHUTXGNTUNUHG-UHFFFAOYSA-N	385.387	3.655	5	40	GHBB	
CC(C)n1ncc2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cnc21	58440498	QCDKSYMOXHFAAZ-UHFFFAOYSA-N	391.391	3.563	5	40	GHBB	
Cc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1807605	JMODYOJUCXXYJM-UHFFFAOYSA-N	395.415	3.698	5	40	GHBB	
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	6045130	NNCAPKHJUXKPRK-UHFFFAOYSA-N	396.230	3.991	5	40	GHBB	
COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1F	12397211	DMEUGUUWGHOFOR-UHFFFAOYSA-N	392.346	3.921	5	40	GHBB	
CCOC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	3622616	XAONXPKXGCFUFS-MRXNPFEDSA-N	376.796	3.673	5	40	GHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1	18183367	TUJSLHKVEYVDNL-BETUJISGSA-N	386.456	3.592	5	40	GHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccsc1	40154246	SZDJVPBTWFIMOL-INIZCTEOSA-N	375.450	3.831	5	40	GHBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2ccnc2)c1	25173277	IFONJJXNATYZIY-UHFFFAOYSA-N	379.420	3.670	5	40	GHBB	
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N3CCC[C@H](C)C3)c12	36618435	RLXLMECWNXRYSH-LBPRGKRZSA-N	380.404	3.979	5	40	GHBB	
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1	2657531	HNGQRNMJKURICV-UHFFFAOYSA-N	386.404	3.696	5	40	GHBB	
CCn1cc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(C)n1	2769413	ICQUXYBYRVYWKC-UHFFFAOYSA-N	378.841	3.918	5	40	GHBB	
CCCn1c(=O)c2ccccc2n2c(SCc3cccc([N+](=O)[O-])c3)nnc12	3375642	WRDAERKQIDXGQP-UHFFFAOYSA-N	395.444	3.655	5	40	GHBB	
Cc1cc(NC(=O)COC(=O)c2ccc3ccccc3n2)c([N+](=O)[O-])cc1C	5079967	LFRPFLSXJMQXSL-UHFFFAOYSA-N	379.372	3.555	5	40	GHBB	
CS(=O)(=O)c1ccc(NCCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1	8051080	HAKDNFXSQBESCT-UHFFFAOYSA-N	388.367	3.672	5	40	GHBB	
O=[N+]([O-])c1ccc(Sc2nc3c(c(C(F)(F)F)n2)CCC3)c([N+](=O)[O-])c1	33559793	IAUULWNLDUEUOX-UHFFFAOYSA-N	386.311	3.952	5	40	GHBB	
CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	48312366	LUQIYPROKZIVBJ-UHFFFAOYSA-N	378.494	3.573	5	40	GHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3coc4ccccc4c3=O)nc12	4194641	XWUUNRVZNIAOQF-UHFFFAOYSA-N	397.368	3.572	5	40	GHBB	
O=[N+]([O-])c1cccc(CSc2nnc3nc(O)cc(-c4ccccc4)n23)c1	4250077	DDCAZUQKVURNDR-UHFFFAOYSA-N	379.401	3.697	5	40	GHBB	
C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C	5745966	CMBWFHWFLDKKQO-NEPJUHHUSA-N	388.807	3.771	5	40	GHBB	
COc1cc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)cc1[N+](=O)[O-]	6187972	CEDNCQCXHPFCEH-UHFFFAOYSA-N	386.433	3.827	5	40	GHBB	
Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	8475618	IITSGLRZBHGEHP-UHFFFAOYSA-N	378.388	3.649	5	40	GHBB	
Cc1cc(C)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)c1	32990879	YEJZRIJDAWPTLD-UHFFFAOYSA-N	389.839	3.954	5	40	GHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCCO)[C@H]1CCCc2ccccc21	72308762	RYPYNJAUDVFVOP-NRFANRHFSA-N	397.475	3.604	5	40	GHBB	
O=C(CSc1ccc(-c2ccccc2)nn1)Nc1ccc(F)c([N+](=O)[O-])c1	5410512	YMSYNHZIJFGZPK-UHFFFAOYSA-N	384.392	3.922	5	40	GHBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Oc1ccccc1	8392341	OQBDSJROKIMZSO-IBGZPJMESA-N	378.384	3.851	5	40	GHBB	
O=C(OCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1NCCO	12591912	KZHJZZBDONXZLY-UHFFFAOYSA-N	385.203	3.663	5	40	GHBB	
Cc1c(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-]	2633487	ZUVUIXIQZYECRU-UHFFFAOYSA-N	396.443	3.541	5	40	GHBB	
CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl	22522395	GLDKZNMSNHKKMK-UHFFFAOYSA-N	398.824	3.534	5	40	GHBB	
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1	6922146	LDBVOFVSPRZIEG-UHFFFAOYSA-N	395.371	3.766	5	40	GHBB	
O=C1CCc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])cc4)n3)ccc2N1	7036835	CWAJSJOWWFMOEJ-UHFFFAOYSA-N	394.412	3.855	5	40	GHBB	
COc1cccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	4032559	FYZFGLOKPDTMLB-UHFFFAOYSA-N	384.417	3.520	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1	30151276	FTHMIWBXOONQSS-GUYCJALGSA-N	399.447	3.923	5	40	GHBB	
CC(C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1	6790294	LNAQZCYWSFRFIF-UHFFFAOYSA-N	375.450	3.514	5	40	GHBB	
Cc1cn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)n1	8132955	LRINFOUCZMIXCD-UHFFFAOYSA-N	377.809	3.657	5	40	GHBB	
O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc([N+](=O)[O-])c1	24865377	IIUNLNRWDBDQCT-UHFFFAOYSA-N	395.394	3.971	5	40	GHBB	
CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1	2442265	MGOGLGHGOQXIEB-UHFFFAOYSA-N	388.474	3.834	5	40	GHBB	
O=[N+]([O-])c1cc2c(c(CSc3nc(-c4ccccc4F)n[nH]3)c1)OCOC2	3435735	HDLBWWIHUGSRHB-UHFFFAOYSA-N	388.380	3.678	5	40	GHBB	
Cc1c(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cccc1[N+](=O)[O-]	6414915	ZNIWXRKCFLADBS-UHFFFAOYSA-N	398.444	3.602	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](N2CCc3ccccc3C2)C1	408612227	UZJIVWZWFIOXDR-KRWDZBQOSA-N	385.851	3.521	5	40	GHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)OC[C@H]1CC1(Cl)Cl	10723046	APQJWYDEULMYJZ-GFCCVEGCSA-N	376.239	3.892	5	40	GHBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1cnc2ccccc21	9118370	HSKPANFOWIOSFV-CQSZACIVSA-N	384.461	3.632	5	40	GHBB	
CCOc1ccccc1-c1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1	408527526	ONNGHYVCBBMGNB-UHFFFAOYSA-N	384.417	3.754	5	40	GHBB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)oc2C1	3844215	IFXCMQOWLMWUSS-UHFFFAOYSA-N	393.355	3.962	5	40	GHBB	biogenic
COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	44886408	LJAWLMOQQFEELD-GOSISDBHSA-N	392.477	3.978	5	40	GHBB	
COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccs1	5015857	OKAWAEDCRFHBRY-UHFFFAOYSA-N	387.373	3.763	5	40	GHBB	
Cc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1N1CCCC1	31528029	SUFSXICDZKSTFN-UHFFFAOYSA-N	375.450	3.651	5	40	GHBB	
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nnc(NCc2ccccc2)s1	2956077	JYCRIKHVGJEKJE-UHFFFAOYSA-N	380.385	3.832	5	40	GHBB	
Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-]	25113006	FLDOQCAEBODIOV-UHFFFAOYSA-N	399.428	3.859	5	40	GHBB	
O=C(Nc1ccc(Br)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl	4361092	QVMMYAKEIZPKRO-UHFFFAOYSA-N	399.584	3.961	5	40	GHBB	
COc1ccc(CCn2c(C(C)C)nc3oc4ccccc4c(=O)c3c2=O)cc1	2440335	LGBASYVQUYIJNU-UHFFFAOYSA-N	390.439	3.878	5	40	GHBB	
O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCCC1	4713413	SEXJIUGXMXWXPH-UHFFFAOYSA-N	385.376	3.850	5	40	GHBB	
O=C(Nc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccccc1	8434723	RPUUQYVSSVVQCD-UHFFFAOYSA-N	387.351	3.648	5	40	GHBB	
COc1ccc(/C=C2\SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1	13477003	GMUCMIPFJXRKTC-SXGWCWSVSA-N	385.401	3.709	5	40	GHBB	
COc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1	24774733	OIHXQFAUDBLJQJ-QRWLVFNGSA-N	398.463	3.951	5	40	GHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cc1Cl	7909394	QINGYSJRZPDPTR-UHFFFAOYSA-N	398.246	3.890	5	40	GHBB	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1	12527634	FEQWUEFHPZBWIL-UHFFFAOYSA-N	381.354	3.816	5	40	GHBB	
O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F	1936158	UVBLKOPBFLYXDK-CMDGGOBGSA-N	394.305	3.809	5	40	GHBB	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1cccnc1	31942103	JIQFTVMKCAPZBA-SFHVURJKSA-N	380.448	3.570	5	40	GHBB	
Cc1cc(C)n(-c2ccc(CS(=O)(=O)Cc3cccc([N+](=O)[O-])c3C)cc2)n1	54708798	BCQBHOMTZOPAGJ-UHFFFAOYSA-N	399.472	3.821	5	40	GHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1	103718434	NVRCKRWTSOAUKP-SNVBAGLBSA-N	394.214	3.893	5	40	GHBB	
Cc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)cc1	223916794	OYOUZIOIZOLWMB-UHFFFAOYSA-N	390.446	3.531	5	40	GHBB	
O=C(Sc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cc(Br)ccc1O	409392684	RHFFWTSZXBZCPH-UHFFFAOYSA-N	394.206	3.872	5	40	GHBB	
O=[N+]([O-])c1ccc2c(c1)Oc1cc3c(cc1=N2)Oc1cc([N+](=O)[O-])ccc1N=3	4199391	ZHHYGUCTVVZURM-UHFFFAOYSA-N	376.284	3.617	5	40	GHBB	
O=c1c2ccccc2oc2nc(-c3cccs3)n(Cc3ccco3)c(=O)c12	2340117	BPBZMKJMONJVGE-UHFFFAOYSA-N	376.393	3.873	5	40	GHBB	
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)c1C	69525083	XKYQHLVFLONUGG-ZDUSSCGKSA-N	387.823	3.857	5	40	GHBB	
Cc1ccc2c(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1C	16564647	KAKUTKDDZAGQCE-UHFFFAOYSA-N	393.443	3.640	5	40	GHBB	
COC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	11249993	JBZCZTQSGUCNDI-UHFFFAOYSA-N	386.407	3.580	5	40	GHBB	
CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	222766772	PIDNLSUWUJPWKG-ZWKOTPCHSA-N	380.429	3.852	5	40	GHBB	
CC1(C)Cc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)CO1	2206260	IFBVNQXWQDGBKV-UHFFFAOYSA-N	381.417	3.766	5	40	GHBB	
CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCOC	2418454	YSNQSBZRHBBANU-UHFFFAOYSA-N	379.464	3.521	5	40	GHBB	
O=c1c(Cl)c(Oc2ccc([N+](=O)[O-])cc2)cnn1CCOc1ccccc1	16046825	JUEMSQLLFKJURM-UHFFFAOYSA-N	387.779	3.676	5	40	GHBB	
COCCNc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1[N+](=O)[O-]	18134399	IWCXZYIBGGMHLU-OAHLLOKOSA-N	387.461	3.620	5	40	GHBB	
CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1	20528637	GCILNVOVAKTJNB-UHFFFAOYSA-N	389.364	3.943	5	40	GHBB	
CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	214900329	KAJWXYUGGDNCEV-LICLKQGHSA-N	398.396	3.757	5	40	GHBB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12	6262539	UWYRDNCOMXXPNJ-YSTOQKLRSA-N	377.444	3.804	5	40	GHBB	
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1F	29938478	FRLWRZVRPJNXRR-QMMMGPOBSA-N	376.768	3.566	5	40	GHBB	
CCc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	13140839	YHYWKPCHUCOQGM-UHFFFAOYSA-N	383.433	3.689	5	40	GHBB	
CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1O[C@@H](C)CC	13468246	DSADXIMEVUBUNH-JYKYSHPRSA-N	375.381	3.542	5	40	GHBB	
COc1ccc(-c2nc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cs2)cc1	5228844	FMIAEPMCBRBDOD-UHFFFAOYSA-N	385.401	3.666	5	40	GHBB	
O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1	65515887	JVQNJCJHKDCKHL-UHFFFAOYSA-N	395.415	3.541	5	40	GHBB	
CNc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-]	7047715	WDRWTRVRVADZSJ-UHFFFAOYSA-N	388.767	3.697	5	40	GHBB	
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)O[C@H](C)C2	15583106	JQFLXDOVHQAKJX-CHWSQXEVSA-N	385.420	3.756	5	40	GHBB	
C[C@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	8211517	KECWEMFYOBGRNY-NSHDSACASA-N	378.226	3.647	5	40	GHBB	
CC(C)c1nccc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)n1	89893784	IVFYQUKRZMRATK-UHFFFAOYSA-N	398.463	3.754	5	40	GHBB	
Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	408573632	TZDQCEDXZYQBOM-QGZVFWFLSA-N	399.432	3.902	5	40	GHBB	
O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1-c1ccncc1	38829326	YLJLVQCZZIPUQK-UHFFFAOYSA-N	386.455	3.991	5	40	GHBB	
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1cnn(Cc2ccccc2)c1	36760779	NFBYRTZHQTXLJG-GIDUJCDVSA-N	380.791	3.986	5	40	GHBB	
CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	222758015	DOCAOIJOUBPSOU-QZTJIDSGSA-N	380.429	3.852	5	40	GHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	4544125	CSQYEGSOXUYTGY-XVNBXDOJSA-N	377.740	3.817	5	40	GHBB	
COc1ccccc1[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	12562396	KYQVSZGSOVLBQO-HNNXBMFYSA-N	383.448	3.697	5	40	GHBB	
O=C1c2ccccc2N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N1C[C@@H]1CCCO1	96924948	TVIBKVCDTDPARL-NPPBYXQQSA-N	379.416	3.681	5	40	GHBB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])ccc3OC)N21	222655279	QYCZXBPGYMDNDQ-UYHISHBKSA-N	384.461	3.978	5	40	GHBB	
CC(C)[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1	9796627	DCERSVDVHVKCEH-GOSISDBHSA-N	388.493	3.885	5	40	GHBB	
O=C(OCc1c(F)cccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4839429	WQIUKIWRGRDAHZ-UHFFFAOYSA-N	394.786	3.581	5	40	GHBB	
O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1	9708085	ZBEFPLMKBBDEBH-OAQYLSRUSA-N	388.427	3.524	5	40	GHBB	
O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])o1	6664284	FYZJQMYMKZUUQI-INIZCTEOSA-N	376.372	3.778	5	40	GHBB	
CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1	408751056	VVCQQYKIMIIDHW-UHFFFAOYSA-N	389.414	3.877	5	40	GHBB	
COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc([N+](=O)[O-])c1O	409098123	PLKZFLKHLLCSOZ-WCIBSUBMSA-N	380.278	3.821	5	40	GHBB	
COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-]	408624909	DKENRIKOJFZQHZ-RUDMXATFSA-N	391.836	3.783	5	40	GHBB	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H](C(F)(F)F)C1	9368956	JHTHVUPXBBBNOH-CQSZACIVSA-N	385.386	3.612	5	40	GHBB	
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COc1ccccc1[N+](=O)[O-]	7168990	ARXVGZCQHKXGSM-UHFFFAOYSA-N	386.795	3.666	5	40	GHBB	
COc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-]	66013559	WUBMDWJEBIGJFY-UHFFFAOYSA-N	385.420	3.611	5	40	GHBB	
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(c2ccccc2)CC1	32831323	NNNHSEHJFYRDKA-LSJNQWAISA-N	395.459	3.556	5	40	GHBB	
O=C(O)c1ccc(CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1	97998575	RIMRLBJDHXLMTN-OQLLNIDSSA-N	384.369	3.530	5	40	GHBB	
Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	4543585	SVSMTMWFODUMOX-UHFFFAOYSA-N	393.365	3.884	5	40	GHBB	
O=C(c1ccc(F)cc1)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	32776841	XSXXWWKMYMNISI-UHFFFAOYSA-N	377.803	3.740	5	40	GHBB	
Cc1cc(OCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl	8140946	ADFCTKRSHSCNNO-UHFFFAOYSA-N	377.780	3.670	5	40	GHBB	
CC(=O)Nc1cccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2C2CC2)c1	26723891	OPXUUQHYPGHNFI-UHFFFAOYSA-N	396.432	3.558	5	40	GHBB	
C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1	44771191	YHLROSGHYKFOMX-MFKMUULPSA-N	384.841	3.785	5	40	GHBB	
Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Br	674657	JXLMWTOPGIEVSR-UHFFFAOYSA-N	379.210	3.992	5	40	GHBB	
C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	4987410	UJURAUCMWXBFTH-SNVBAGLBSA-N	388.380	3.903	5	40	GHBB	
C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	7081543	FDDKREMLVBNHBW-LLVKDONJSA-N	386.437	3.816	5	40	GHBB	
Cc1ccc(NC(=O)Cn2c(=O)c3ccccc3c3ccccc3c2=O)cc1C	10233278	VVQCUOCPULLZHF-UHFFFAOYSA-N	384.435	3.770	5	40	GHBB	
O=[N+]([O-])c1ccc(CSc2nc(C(F)(F)F)n[nH]2)c(Br)c1	73639578	CQWKSZYDBRXKCG-UHFFFAOYSA-N	383.149	3.787	5	40	GHBB	
C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1C[C@H]2CC[C@H]1C2	109010087	QKIPPCCRIMWCOB-OWTLIXCDSA-N	375.450	3.769	5	40	GHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(Cl)cc1	223407528	JKGWFEBPVDAPSN-UHFFFAOYSA-N	380.853	3.677	5	40	GHBB	
O=C1NC(=O)/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)N1	408917649	ZDLOCFOUPJLISK-WOJGMQOQSA-N	389.367	3.507	5	40	GHBB	
O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1CC1CCCCC1	409129722	LWRRVOLUKTZNBO-APSNUPSMSA-N	390.417	3.940	5	40	GHBB	
O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1CCCc1ccccc1	409134641	WYDQEAWDTALRAB-SFQUDFHCSA-N	384.413	3.970	5	40	GHBB	
NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2	4176884	CWWGGKLCTSYWNW-SOFGYWHQSA-N	391.474	3.738	5	40	GHBB	
COc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OC)c1OC	4615253	VBLODYCOJZUJDL-UHFFFAOYSA-N	380.784	3.835	5	40	GHBB	
CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12	8071493	YZRFSXLZNYWKJZ-UHFFFAOYSA-N	394.416	3.576	5	40	GHBB	
O=c1c([N+](=O)[O-])c(Oc2ccc(OCc3ccccc3)cc2)nc2ccccn12	12898255	BLMUBCJFCXOCIA-UHFFFAOYSA-N	389.367	3.974	5	40	GHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H](C)n3cc(Cl)cn3)nc12	17078391	NUAUQXGJQCYBSS-JTQLQIEISA-N	383.868	3.963	5	40	GHBB	
O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1	19315399	YYJKHFPKIRBVEV-AWEZNQCLSA-N	394.686	3.897	5	40	GHBB	
COc1ccc(-c2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)s2)cc1	39756966	LZIYFHCVZXWJGT-BJMVGYQFSA-N	382.401	3.774	5	40	GHBB	
Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n(-c2ccccc2F)n1	48375235	JASBIMWTQYXOKP-UHFFFAOYSA-N	386.408	3.959	5	40	GHBB	
C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc1c32	101078605	ZVEHNTRLZATJFH-JTQLQIEISA-N	385.807	3.897	5	40	GHBB	
CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	217874077	RQCBRKJWXDMHNV-HNNXBMFYSA-N	396.852	3.533	5	40	GHBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1Sc1ccccc1	6120320	HPIOYPRSKZATKO-UHFFFAOYSA-N	381.413	3.546	5	40	GHBB	
CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)O[C@@H](C)C2	8269888	YJYSVHBRRMSLSP-NSHDSACASA-N	390.823	3.900	5	40	GHBB	
COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1	8332444	VNDQZVQCOLPFHM-VXPUYCOJSA-N	383.429	3.720	5	40	GHBB	
CSc1ncc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1	408530105	ISWSLOWHXCAMAC-AATRIKPKSA-N	399.457	3.882	5	40	GHBB	
Cc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	4703593	SJAKMVXQGUWCCT-UHFFFAOYSA-N	393.365	3.884	5	40	GHBB	
O=C(O)c1cc(-c2ccccc2O)nc2ccc3cc(S(=O)(=O)O)ccc3c12	6095506	XILPFXSKPIXATN-UHFFFAOYSA-N	395.392	3.706	5	40	GHBB	
CCSc1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)s1	9439663	DMWLXHBEHYBYOR-UHFFFAOYSA-N	381.464	3.901	5	40	GHBB	
Cn1c(CNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccccc21	16695595	KFXFXIVCSJOWRZ-UHFFFAOYSA-N	376.372	3.672	5	40	GHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccccc1OC(F)F	24862700	IAFMKRYVKMMCTC-GFCCVEGCSA-N	379.363	3.828	5	40	GHBB	
O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	89821220	KVUBJZBPIUBBBB-NVXWUHKLSA-N	396.365	3.800	5	40	GHBB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C	849505	FHHHSJSVFJCQNL-UHFFFAOYSA-N	384.417	3.992	5	40	GHBB	
O=C(OCc1nc2cc3ccccc3cc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2055847	LCIDZDNCVCKKRL-UHFFFAOYSA-N	392.327	3.890	5	40	GHBB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1C	7757979	RMEHSKLIVOEOLY-NSHDSACASA-N	378.356	3.506	5	40	GHBB	
CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1	13751235	KWHIKFCKHFJWBB-UHFFFAOYSA-N	379.416	3.879	5	40	GHBB	
CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	29761750	NGRNLLWFTQISKL-UHFFFAOYSA-N	375.812	3.886	5	40	GHBB	
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)n1	40145475	FMDKETMEXVRWQU-MDZDMXLPSA-N	390.399	3.559	5	40	GHBB	
CCn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1	48356667	QGHGCKOKNAUVFZ-UHFFFAOYSA-N	385.449	3.829	5	40	GHBB