smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc(Br)cc1)[N+](C)(C)CC3)OCO2	1839099	MNEMBLITWSCIAC-IRXDYDNUSA-N	435.338	3.984	5	40	IHBB	biogenic
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccco3)nc2N1	9637095	VUCRTFVNTUBGAY-LJQANCHMSA-N	443.423	3.769	5	40	IHBB	
C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57648138	UZBQZNSYCBNMGB-HNNXBMFYSA-N	439.903	3.946	5	40	IHBB	
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NCc1ccco1	408603805	HHCYKBICWSNLKW-VQHVLOKHSA-N	427.413	3.749	5	40	IHBB	
CCc1nnc2sc3c(Cl)c4nn5c(CC)nnc5sc4c(Cl)c3nn12	1572435	QDFHTFOOBMCTRT-UHFFFAOYSA-N	425.330	3.985	5	40	IHBB	
COc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2cc([N+](=O)[O-])ccc21	3323394	IYKYNOHNGDSVPU-UHFFFAOYSA-N	438.465	3.944	5	40	IHBB	
CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	6878374	YAETXVAHBRVUIL-UHFFFAOYSA-N	430.465	3.688	5	40	IHBB	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COc1cccnc1[N+](=O)[O-]	8710457	NZRVVIFKKCYMLO-UHFFFAOYSA-N	427.438	3.913	5	40	IHBB	
Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	18059288	NMDCUQHAPVTSMT-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260922468	GTDZHQAEWXZFLE-UTKZUKDTSA-N	447.557	3.942	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl	408564029	CBLXWIRGHAOWMZ-GCKAQTDUSA-N	436.295	3.914	5	40	IHBB	
Cn1cnnc1S[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	9315552	WTHIAXWXMQCBIW-HNNXBMFYSA-N	448.302	3.958	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	22529405	QAMQZFBTMXBCFZ-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
Cc1ccnc([C@H](Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])C2CC2)n1	107542673	BAXWJHJKKPZEDA-JLTOFOAXSA-N	445.545	3.677	5	40	IHBB	
COc1ccc(-n2nnnc2Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	9128546	IOADPOGCLPXBMP-UHFFFAOYSA-N	433.449	3.961	5	40	IHBB	
O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1cccc([N+](=O)[O-])c1	9743605	YEXZJOCNCNMOCF-UHFFFAOYSA-N	448.461	3.960	5	40	IHBB	
CS(=O)(=O)c1ccc(NCCCCCc2nc(-c3cccs3)no2)c([N+](=O)[O-])c1	9945486	BKMVKMDZLJYIQP-UHFFFAOYSA-N	436.515	3.935	5	40	IHBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1	16398791	UIGDTMHVKYVVME-UHFFFAOYSA-N	439.324	3.739	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O	21151049	DMKNJIZSKSKZHP-OAQYLSRUSA-N	444.447	3.842	5	40	IHBB	
N[C@@H](CC(=O)O)[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1	21302097	UWHYWQPVYHZUQY-LADGPHEKSA-N	446.459	3.836	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(=O)n1CCOc1ccccc1Cl	89814520	DOTIPSJPXOPWRV-UHFFFAOYSA-N	431.807	3.880	5	40	IHBB	
Cc1cccnc1NC(=O)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	106922169	RZQQKMXCGXQADD-NVXWUHKLSA-N	436.472	3.760	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	225984684	GQBFDBGNEVPBPZ-UHFFFAOYSA-N	439.493	3.910	5	40	IHBB	
Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	260920115	FOQCTLYXVFVKHM-IRXDYDNUSA-N	433.530	3.552	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	409184497	YOSSUPYENRUCLM-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
COc1ccc(/C=C2\N=C(S)N(C3CC3)C2=O)cc1COc1cc(F)ccc1[N+](=O)[O-]	2791455	VJBKBVYMNFAEKX-SXGWCWSVSA-N	443.456	3.953	5	40	IHBB	
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)cc1	9282581	GTEYWFUYGTXPCD-UHFFFAOYSA-N	426.433	3.870	5	40	IHBB	
COc1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1	14272495	UQGCFIFXFZMMIX-UHFFFAOYSA-N	440.481	3.816	5	40	IHBB	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(Cc1ccccc1)C2	23153818	WUCTZQDTJCQEQP-UHFFFAOYSA-N	442.522	3.627	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	138645340	QVONSIBMWGITTN-KDURUIRLSA-N	441.871	3.981	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	408728443	MNBQNXKSADPHCH-QQNJPBSNSA-N	438.439	3.735	5	40	IHBB	
Cc1cc(Br)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(Br)c1	3443899	FZAPDHKJRPPUTE-UHFFFAOYSA-N	446.099	3.880	5	40	IHBB	
O=C(COc1cccnc1[N+](=O)[O-])N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	9510029	RXWSBEZXYDCIMM-INIZCTEOSA-N	426.816	3.993	5	40	IHBB	
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1	12475574	MJRSKUZQBNMJEU-UHFFFAOYSA-N	446.510	3.722	5	40	IHBB	
O=C(Nc1ccccc1CN1CCSCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	58105025	XFFBSCVBEYBDFV-UHFFFAOYSA-N	426.542	3.996	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	100587093	XFLYLUWAQGFVEE-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(CN1CCOCC1)C2=O	19596869	UWTCWMJVGJKMLS-JOCHJYFZSA-N	430.888	3.693	5	40	IHBB	
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]	24886671	HRIDGUJGHNDNMO-UHFFFAOYSA-N	445.781	3.743	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1	27743432	ARFBUAWOYAPQSG-INIZCTEOSA-N	443.308	3.731	5	40	IHBB	
CCc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	222651930	WWLFEQZPNJSOKV-KRWDZBQOSA-N	447.557	3.889	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409176697	VLFBYWIOPZJQIF-UHFFFAOYSA-N	427.394	3.588	5	40	IHBB	
Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)c1	3662625	DORLCGWMARUPFU-NRFANRHFSA-N	444.447	3.900	5	40	IHBB	
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	12590995	CZAXRQVKSLRZOK-MRVPVSSYSA-N	428.184	3.994	5	40	IHBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn3ccccc3n2)cc1	15835196	NETKHQKUZHDWGH-UHFFFAOYSA-N	431.452	3.663	5	40	IHBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(CCOc2ccccc2)CC1	29955392	BHDPMBQPKUGJGG-UHFFFAOYSA-N	440.378	3.723	5	40	IHBB	
O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nnc2ccccn12	31499600	ZGVBKINFYNQFSL-IBGZPJMESA-N	434.500	3.995	5	40	IHBB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1O	15019019	OEPUQQIVMWKWJJ-UHFFFAOYSA-N	448.460	3.730	5	40	IHBB	
Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	108052373	IFRCKBJSXDCVMY-SNVBAGLBSA-N	432.285	3.516	5	40	IHBB	
Cc1cccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1[N+](=O)[O-]	23076359	RIWDFYFKTFTTON-UHFFFAOYSA-N	428.448	3.982	5	40	IHBB	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F	12591219	AHKHDVIAZWNZJI-HXPMCKFVSA-N	449.410	3.950	5	40	IHBB	
O=C(Oc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	409272393	PXSQKYLOHKOFKV-UHFFFAOYSA-N	432.348	3.626	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O	224853784	DFXKWTPYIXBYDA-UHFFFAOYSA-N	427.567	3.780	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)c1	9216376	KVWRTGLPXOMTMP-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	48265392	IRLKLUOKJQMGRR-GOSISDBHSA-N	449.529	3.643	5	40	IHBB	
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	13130300	WJAOEURWPYSIEE-UHFFFAOYSA-N	439.482	3.572	5	40	IHBB	
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	408964414	RKBVCNZLGZRVCE-SXGWCWSVSA-N	427.438	3.592	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1	32640723	DUXFNMUDNROHOL-IAGOWNOFSA-N	437.930	3.523	5	40	IHBB	
O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	40113275	NJGUXCSRDCHBOW-UHFFFAOYSA-N	426.231	3.639	5	40	IHBB	
COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225037432	QOZLIDKDSYTVJE-UHFFFAOYSA-N	426.450	3.630	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222524796	PKRWIKQODOBOTO-LJQANCHMSA-N	435.502	3.565	5	40	IHBB	
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	20280113	ZWRHXXVQQLRRRM-UHFFFAOYSA-N	436.449	3.938	5	40	IHBB	
O=C(COC(=O)c1ccc(F)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OC1(CCCCC1)O2	9254834	RJOJHABQPYHDTM-UHFFFAOYSA-N	430.388	3.961	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1	12532521	HJHXDANUMCOJEA-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
CC1=NN(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)[C@](O)(C(F)(F)F)C1	13959735	HIGSUTUCQKIYNK-MRXNPFEDSA-N	447.753	3.893	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1	138794486	ZNZXBRIOLKTXJI-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408686571	RXYGBPJGYBKVIA-ROUUACIJSA-N	439.855	3.757	5	40	IHBB	
O=C(Oc1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccc([N+](=O)[O-])cc1	2052829	HUIXKBBKKAWIHE-UHFFFAOYSA-N	433.332	3.523	5	40	IHBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc4cc(F)c(F)cc43)c([N+](=O)[O-])c2)C1	12634085	PZMZFBPOTZFCCN-GFCCVEGCSA-N	436.440	3.633	5	40	IHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(CCN1CCOCC1)c1nc2ccccc2s1	22998164	JTOQDPHXGFMYGK-JXMROGBWSA-N	438.509	3.583	5	40	IHBB	
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	408571788	PNBOSOPJISWGPT-SFHVURJKSA-N	429.458	3.993	5	40	IHBB	
COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408646429	OENGAVGNLWWFLM-UHFFFAOYSA-N	434.404	3.630	5	40	IHBB	
Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	10433819	SGHRIUQNGRITMP-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
COc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O	677519	SCQGVLSYYJMEGP-MKMNVTDBSA-N	446.799	3.535	5	40	IHBB	
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccc(F)c(F)c1F	3351483	RVYDKIQJQLMXJI-SECBINFHSA-N	444.797	3.563	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1	3569731	ATTCQRIJWDZNAO-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(Nc1ccc(C(=O)O)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	8927105	JNGBRYGJVZPDFI-ZHZULCJRSA-N	431.404	3.703	5	40	IHBB	
Cc1cccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c1	8971766	QKPDXHQQDFESEK-XXBNENTESA-N	434.452	3.928	5	40	IHBB	
Cc1c(OCC(=O)N(C)C[C@@H](O)c2ccc(O)cc2)ccc2c1oc(=O)c1ccccc12	9410591	LRBDICQCMLTQIS-OAQYLSRUSA-N	433.460	3.531	5	40	IHBB	
Cc1ccc(C(=O)O)cc1Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	12624456	MKWHZGOFOLDQGA-ZDUSSCGKSA-N	433.486	3.766	5	40	IHBB	
O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1	15675139	LKXBEPOCSWGKBX-QAPCUYQASA-N	432.839	3.669	5	40	IHBB	biogenic,in-vitro
CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12	20675253	PJBXKBVOSNXKSI-VQTJNVASSA-N	436.468	3.860	5	40	IHBB	
COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	33507472	RTRLXJKMBBKUOG-UHFFFAOYSA-N	425.422	3.768	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1[N+](=O)[O-]	409166776	GBBSIRWQTQPVBN-LICLKQGHSA-N	427.438	3.587	5	40	IHBB	
COCCCn1c(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl	3444187	HTYUZSVITOYLDL-UHFFFAOYSA-N	447.904	3.793	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2c(c1)OCCO2	9584678	AIABTZTXXAMCGQ-CYBMUJFWSA-N	438.392	3.810	5	40	IHBB	
CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O	96569957	TVQKATGPEHKALZ-SXGWCWSVSA-N	443.437	3.770	5	40	IHBB	
COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	408666940	AOYOXECNHHTFLB-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1	12137371	LZDQJZGFJXIYIR-UHFFFAOYSA-N	429.498	3.754	5	40	IHBB	
Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1	22997548	FTAIKVQYPFCQEG-UHFFFAOYSA-N	440.525	3.882	5	40	IHBB	
COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc(Br)cc1)[N+](C)(C)CC3)OCO2	1839100	MNEMBLITWSCIAC-IAGOWNOFSA-N	435.338	3.984	5	40	IHBB	biogenic
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1	8854835	QFOCCWHTDQRFNG-UHFFFAOYSA-N	440.334	3.547	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)c(C)c1	9971933	GPPOCTWTXMUZAI-UHFFFAOYSA-N	444.557	3.605	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1	12539100	YKNCBSMJJVEPBW-MRXNPFEDSA-N	443.475	3.928	5	40	IHBB	
Cc1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1[N+](=O)[O-]	9168260	PKMGSXAHWGJXOZ-UHFFFAOYSA-N	429.432	3.582	5	40	IHBB	
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	12420374	ZNQUDZLFZRTMDS-DEOSSOPVSA-N	432.432	3.611	5	40	IHBB	
O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	12554596	DZWOUUYZJRYTTK-UHFFFAOYSA-N	448.859	3.603	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(Cl)c1)S(C)(=O)=O	13712603	ZUSLCSLOHBFIIG-MRXNPFEDSA-N	425.894	3.740	5	40	IHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]	105394422	KBEILWIQSLPPTH-UHFFFAOYSA-N	428.313	3.932	5	40	IHBB	
CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl	409182009	HVIOGVZQVFYSJX-UHFFFAOYSA-N	434.832	3.953	5	40	IHBB	
CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCO3	10068098	BDUBBNQMUOMMPE-UHFFFAOYSA-N	434.499	3.593	5	40	IHBB	
CC(C)(C)c1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1	10296298	ROAXGAKSZGCDNG-IBGZPJMESA-N	444.455	3.736	5	40	IHBB	
COC(=O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C)cc1	12730668	FMYXMWPJRUEUTP-NRFANRHFSA-N	428.488	3.884	5	40	IHBB	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1	17097517	CSZVBVCCJUVBOI-GFCCVEGCSA-N	431.514	3.924	5	40	IHBB	
CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12	20638236	RGAYYSIJPFOEBF-UXHICEINSA-N	436.468	3.860	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(Oc3ccc4c(=O)cc[nH]c4c3)c([N+](=O)[O-])c2)CC1	32926990	NFUFDPHEXHXWRL-UHFFFAOYSA-N	443.481	3.649	5	40	IHBB	
COc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1	218054040	BFWRXQRKOGVFRL-UHFFFAOYSA-N	428.470	3.545	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222536763	FKNNKOOZKPYTIJ-INIZCTEOSA-N	443.884	3.879	5	40	IHBB	
O=C(COC(=O)CCCOc1cccc(Br)c1)Nc1ccc([N+](=O)[O-])cc1	9373002	GMKNGJRXQBZQBJ-UHFFFAOYSA-N	437.246	3.698	5	40	IHBB	
CCNc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1[N+](=O)[O-]	9562465	QMOALAKKAATVJG-KRWDZBQOSA-N	429.473	3.664	5	40	IHBB	
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)nn1	9626926	VLLKYNYEWOQBNW-UHFFFAOYSA-N	446.872	3.751	5	40	IHBB	
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)ccc2[N+](=O)[O-])n1	10231829	VFYLJDWFYIYLLB-UHFFFAOYSA-N	433.512	3.977	5	40	IHBB	
O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17095439	JABDICBSNUTPRZ-UHFFFAOYSA-N	427.511	3.932	5	40	IHBB	
Cc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N	100707521	PCGVPTOJEIGIDQ-UHFFFAOYSA-N	449.514	3.932	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222539483	QHUFISSFCLLCDX-FXAWDEMLSA-N	447.557	3.585	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408662507	DYFZUHOBMKDEAD-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	9076367	SJZVHCSHLUOAHU-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CSc1nc2ccc(NC(=O)c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)cc2s1	14500832	JRZKACJBDYRRLT-UHFFFAOYSA-N	443.554	3.931	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(OC)cc(OC)c1	19928845	CAMVLSWHSRWYGH-UHFFFAOYSA-N	443.485	3.621	5	40	IHBB	
Cn1nnc2cc(C(=O)O[C@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])ccc21	96013375	CTKOIQLFQYQDCW-MRXNPFEDSA-N	433.262	3.684	5	40	IHBB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1	218122438	ZEOJLUFHFUPEKR-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1Cl	408658439	VAMKJEPYOKXBBL-LLVKDONJSA-N	437.235	3.681	5	40	IHBB	
Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1	408662565	FLIGNCHAHGXZPZ-UHFFFAOYSA-N	427.457	3.811	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1[N+](=O)[O-]	874002	IBTDACCIRKPFRA-UHFFFAOYSA-N	430.465	3.514	5	40	IHBB	
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	8862404	CVHWUXFFEKPCNY-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	13149442	GRENCUFZAGUGGE-UHFFFAOYSA-N	442.449	3.648	5	40	IHBB	
COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c(F)c1F	17101707	FVDKDGUZHVISOE-UHFFFAOYSA-N	437.758	3.940	5	40	IHBB	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)ccc1O	32150793	LRBDQYXCSFVISO-TZIWHRDSSA-N	436.416	3.542	5	40	IHBB	biogenic
Cc1cc(C(=O)Oc2cccc(NC3=NS(=O)(=O)c4ccccc43)c2)ccc1[N+](=O)[O-]	95481971	FCTXIDUBNPOZEZ-UHFFFAOYSA-N	437.433	3.683	5	40	IHBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)C1	103497176	KLUULKRWGIQZJD-HUUCEWRRSA-N	447.513	3.917	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1	408574446	QROMYKURGYLTGJ-UHFFFAOYSA-N	433.464	3.887	5	40	IHBB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1cccc([N+](=O)[O-])c1	2640572	NTHIUUHOZKJLIP-JLHYYAGUSA-N	444.509	3.916	5	40	IHBB	
C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	10716790	BSKVEMKXOCSWFD-LLVKDONJSA-N	441.421	3.631	5	40	IHBB	
O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	15881983	BCAADLVVVJCDHF-SFHVURJKSA-N	434.857	3.786	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1	408661807	CSCZUWAFHJDDTR-UHFFFAOYSA-N	439.346	3.514	5	40	IHBB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1	409183505	UKYYTVCIAPWTLX-LICLKQGHSA-N	427.438	3.538	5	40	IHBB	
CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)Nc2ncnn2[C@H]1c1ccc(Cl)cc1	2916125	YLYJSDZTNVCQLZ-SFHVURJKSA-N	425.832	3.829	5	40	IHBB	
CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1	17099477	ZHYFXQVHUIWGKF-UHFFFAOYSA-N	435.436	3.779	5	40	IHBB	
COc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1[N+](=O)[O-]	24831947	CWAVQECVEPUKAP-UHFFFAOYSA-N	425.420	3.980	5	40	IHBB	
O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1	32124582	CQUQCZFUMJMEBP-AQTBWJFISA-N	430.507	3.958	5	40	IHBB	
COCC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccc(C)o1	95993873	CSXVPLQABHIVSL-GOSISDBHSA-N	437.518	3.861	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1	6878456	LDVGFPLBWXMMNL-UHFFFAOYSA-N	428.430	3.512	5	40	IHBB	
CC(C)(C)NS(=O)(=O)c1ccc(NCCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1	8728043	YMJQISBLHZZBCQ-UHFFFAOYSA-N	443.529	3.512	5	40	IHBB	
COc1cc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)c([N+](=O)[O-])cc1OC	9426472	BLKNVYYQFNIPSK-UHFFFAOYSA-N	444.469	3.727	5	40	IHBB	
CN(C(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1C(=O)NC1CCCCC1	12293012	IUHXSWVBXOWFRF-UHFFFAOYSA-N	440.525	3.808	5	40	IHBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cc1Cl	13147804	AAWBHQVZEYWOCP-UHFFFAOYSA-N	439.284	3.506	5	40	IHBB	
Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3C3CCCCC3)c(=O)n2c1	16742587	VLNFRBBLBQOUIZ-UHFFFAOYSA-N	441.535	3.872	5	40	IHBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	20029627	CKGHQDIONKMHTB-INIZCTEOSA-N	447.241	3.820	5	40	IHBB	
C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)cc2[N+](=O)[O-])C1	36427673	HAZQOZPPBDFGEG-LPHOPBHVSA-N	434.500	3.851	5	40	IHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1	40069677	TYYIRNICFRSZCM-DZGCQCFKSA-N	446.301	3.930	5	40	IHBB	
CC(=O)Nc1nc(C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1	96013368	ZJMWJLQFBWLGJV-CYBMUJFWSA-N	442.291	3.817	5	40	IHBB	
CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1	6600324	MMVDIIRJWJBXRG-UHFFFAOYSA-N	442.424	3.825	5	40	IHBB	
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	12749777	WRHLZKVGASXFGP-UHFFFAOYSA-N	430.844	3.755	5	40	IHBB	
COc1ccc(N(CC(F)(F)F)C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1	13159911	UGXFQNUZPPELOE-UHFFFAOYSA-N	426.347	3.664	5	40	IHBB	
O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3ccc(F)cc3)nn12	13757929	MHEOEIRTNZOOQO-WQRHYEAKSA-N	434.408	3.673	5	40	IHBB	
CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	34930497	AZTOPIOBQBIRKU-UHFFFAOYSA-N	430.486	3.859	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225752155	HTKDZIRKRNLOHE-UTKZUKDTSA-N	441.528	3.868	5	40	IHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187981	ORGLOSQEVCKACP-UHFFFAOYSA-N	428.788	3.619	5	40	IHBB	
O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1F)N1CCN(c2ncccn2)CC1	10514150	WIWHVXQOSLVRCP-UHFFFAOYSA-N	439.472	3.638	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2	12934859	RMIABIJCTIENIK-SFHVURJKSA-N	427.457	3.540	5	40	IHBB	
CCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1C1CCCCC1	103628745	STRHRBFQHXBYND-ROMGYVFFSA-N	436.512	3.559	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222524946	QSRRVTVKYJTEBA-LJQANCHMSA-N	435.502	3.565	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1	408582031	LEYNWWQXQGQSSL-UHFFFAOYSA-N	443.529	3.920	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1	408660543	AJAJLQNCXQOSLK-UHFFFAOYSA-N	427.457	3.620	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1	408661635	FVPONWHPSRVZJY-UHFFFAOYSA-N	427.457	3.620	5	40	IHBB	
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	409025700	YXHHKUDZWJZQEM-UHFFFAOYSA-N	425.466	3.813	5	40	IHBB	
COc1cc(C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)ccc1OC(F)F	9414697	QJHQBCUKACPRGB-UHFFFAOYSA-N	427.381	3.966	5	40	IHBB	
O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	9493059	DETYQUCUNSAGEH-MRXNPFEDSA-N	434.832	3.602	5	40	IHBB	
Cn1c(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])nc2ccccc21	9670076	QGIBKBQOCUBAON-UHFFFAOYSA-N	432.527	3.807	5	40	IHBB	
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1	12856451	CESLEPKUQUSFRL-INIZCTEOSA-N	438.461	3.816	5	40	IHBB	
O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	21129075	WNGWHLZDVULSGP-UHFFFAOYSA-N	439.497	3.879	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260507448	LRZSHUIVQRDLGH-OXQOHEQNSA-N	433.530	3.634	5	40	IHBB	
COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409136201	XSSWNIQCSBCHAT-XDHOZWIPSA-N	444.465	3.865	5	40	IHBB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	9259432	DPFNIFCUMHVRKN-WOJGMQOQSA-N	442.449	3.773	5	40	IHBB	
COc1ccc(-n2ccnc2SCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	32903421	NOJLIEXUQBLALT-UHFFFAOYSA-N	428.470	3.919	5	40	IHBB	
CN1C(=O)[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2F)N=C(c2ccccc2)c2ccccc21	95929413	FTVKFSCPYUDRJV-NRFANRHFSA-N	447.426	3.696	5	40	IHBB	
CCn1c(=O)n(CC)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)c(Br)cc21	408534464	QXNRJFXXYLQLCH-UHFFFAOYSA-N	433.262	3.766	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1F	408571963	QBPOLNFWVSFUHL-UWSFRGMNSA-N	447.466	3.973	5	40	IHBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	408678163	CQVGVGYLPXLYBX-QGPMSJSTSA-N	439.443	3.713	5	40	IHBB	
CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)OCO2	409100292	UYBVDLHQZNDZQN-QGMBQPNBSA-N	428.422	3.959	5	40	IHBB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	9090672	AXDMFAAZKMPSAE-UHFFFAOYSA-N	435.502	3.666	5	40	IHBB	
COc1cc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(C)cc1[N+](=O)[O-]	9715881	YDXKISBRVYHALU-UHFFFAOYSA-N	427.240	3.943	5	40	IHBB	
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	10119897	KVKOBBKTZYHGDA-UHFFFAOYSA-N	430.833	3.675	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-]	12536076	UNAJJLWERAQFHQ-UHFFFAOYSA-N	434.499	3.614	5	40	IHBB	
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)n1	8683847	FGGDZFBTYVVUEF-UHFFFAOYSA-N	433.829	3.811	5	40	IHBB	
CC(C)(C)c1ccc(-c2nc3[nH]c(=O)cc(NC(=O)c4ccc([N+](=O)[O-])cc4)n3n2)cc1	9187119	CQIKVEUDTUEIKQ-UHFFFAOYSA-N	432.440	3.543	5	40	IHBB	
C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1	9720336	MSYMWCQUYGGGSU-GFCCVEGCSA-N	430.313	3.801	5	40	IHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1	15549388	MQDBVMSCOOBHAP-ZDUSSCGKSA-N	448.405	3.826	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1	223938401	GMAMDUAJHHOPFM-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2cccc(F)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408569330	VPYJVOFVICINGI-VPHKFGTKSA-N	447.466	3.927	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408684431	NHPCLFVNHZCURG-RTBURBONSA-N	439.855	3.757	5	40	IHBB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1	409183117	RLMROZRPCPZODW-WOJGMQOQSA-N	441.465	3.841	5	40	IHBB	
COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1	2231037	JKYNNHUUDRTBLB-UHFFFAOYSA-N	427.508	3.882	5	40	IHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(NC(C)=O)cc1	59099184	AKXCPQUPEYHCHP-UHFFFAOYSA-N	440.485	3.562	5	40	IHBB	
CCSc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222367854	IXHBBEJQXOUNFD-UHFFFAOYSA-N	437.543	3.892	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1	408571780	PLYWFXMIIDLRJZ-LPVCTFIXSA-N	447.466	3.973	5	40	IHBB	
Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-]	408654994	RCANHVUJGWENBY-UKRRQHHQSA-N	430.844	3.724	5	40	IHBB	
CC(C)Cn1c(Cn2cccn2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	9355220	QUVMCNGMVCOVDZ-UHFFFAOYSA-N	448.483	3.863	5	40	IHBB	
CCCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21	13770640	BJXWHMKSENHVRM-UHFFFAOYSA-N	449.942	3.902	5	40	IHBB	
CC1=C(C)CS(=NC(=O)c2ccc([N+](=O)[O-])cc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)C1	28294091	VMVAIRBJQSMVRL-UHFFFAOYSA-N	442.453	3.853	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	409152208	ANTFLQYBUOMELU-CXUHLZMHSA-N	447.856	3.932	5	40	IHBB	
O=C1CCN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)[C@H]2CCCC[C@H]12	4126926	MZANFQNQIXOJOX-PMACEKPBSA-N	430.482	3.909	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(Cc2ccc(F)cc2Cl)CC1	17102795	PAKHRRIAKUUAFC-UHFFFAOYSA-N	438.912	3.911	5	40	IHBB	
Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)c1	21751698	LKOAFBPMXWCQCP-QFIPXVFZSA-N	436.468	3.948	5	40	IHBB	
COc1cc(-c2noc(CCCCCNc3nc4ccccn4c3[N+](=O)[O-])n2)ccc1O	83923496	BYNIUXKYGAHTRY-UHFFFAOYSA-N	438.444	3.832	5	40	IHBB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	223067163	OLLOPNXNDYWBAI-RTWAWAEBSA-N	437.525	3.790	5	40	IHBB	
CCOC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225041513	FICCPHYEQGAWLB-UHFFFAOYSA-N	448.497	3.675	5	40	IHBB	
Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1	2246767	UDNFESXRVFAZNT-SFHVURJKSA-N	425.492	3.830	5	40	IHBB	
Cc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1Br	8444449	BXKMVJVFAWTUIR-UHFFFAOYSA-N	434.250	3.782	5	40	IHBB	
CCN(Cc1ccccc1)C(=O)COC(=O)Cn1c2ccccc2c(=O)c2ccccc21	14846501	IYMKCROUAKAPRO-UHFFFAOYSA-N	428.488	3.747	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1	20051104	KPJZPAOGCIBRBK-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3	12997178	IRYYVFXCSGZXPB-UHFFFAOYSA-N	446.916	3.626	5	40	IHBB	
COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	16268160	DPFVDYWTHCTIQT-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1(Cl)Cl	22190535	QOYWACUMCHPUEV-MRXNPFEDSA-N	429.281	3.950	5	40	IHBB	
O=C(COC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccccc1[N+](=O)[O-]	24933750	ACDHDGOYGILJTN-UHFFFAOYSA-N	425.422	3.704	5	40	IHBB	
COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57470946	JUUHSUQCRIMPIC-QGZVFWFLSA-N	449.511	3.609	5	40	IHBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-]	222495973	PECFSKSLECXROH-QHCPKHFHSA-N	449.482	3.663	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542369	BOMNQVPWNSRZCS-UXHICEINSA-N	445.541	3.642	5	40	IHBB	
CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224772810	OLGLQEUQMXIYMB-UHFFFAOYSA-N	446.403	3.680	5	40	IHBB	
O=C(CSc1nnnn1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	409412500	PSVKEFPPPZSMAV-UHFFFAOYSA-N	425.257	3.608	5	40	IHBB	
COc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c([N+](=O)[O-])cc1OC	3365322	IEDXRIDWKPOGBS-UHFFFAOYSA-N	430.457	3.596	5	40	IHBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)OC(C)C)cc3c3ccnc2c31	8792272	HBMGAVOOMMISLN-UHFFFAOYSA-N	446.459	3.940	5	40	IHBB	biogenic
COc1ccc(C(=O)c2cc3c(cc2NC(=O)c2cccc([N+](=O)[O-])c2)OCCO3)cc1	9289077	SQWGVEYVAUEDRS-UHFFFAOYSA-N	434.404	3.858	5	40	IHBB	
COc1ccc(C2=N/C(=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)C(=O)O2)cc1	9613444	WNYCKDXGWGPWIL-WJDWOHSUSA-N	436.449	3.833	5	40	IHBB	
NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	9970853	RVJGIPAUBZJYLX-OAQYLSRUSA-N	440.456	3.737	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3cnn4-c3cccc(Cl)c3)CC2)cc1	10254033	QTOIGSUQEYVMST-UHFFFAOYSA-N	435.875	3.704	5	40	IHBB	
Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1	14117168	ZZRFOEAPCNVSCO-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1	15142434	ZMJWDRMRBRVIRB-HXUWFJFHSA-N	437.493	3.564	5	40	IHBB	
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C)c1I	57312809	KYXXRHBFIVQHNT-UHFFFAOYSA-N	426.210	3.834	5	40	IHBB	
COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225089126	DEZKXOPZAGUBGJ-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	13768308	TVNKGLFFGUBVSO-HKBOAZHASA-N	433.395	3.785	5	40	IHBB	
CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	13955842	KPLIHVHSLRODOG-UHFFFAOYSA-N	439.497	3.671	5	40	IHBB	
O=c1[nH]nc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)c2ccccc12	35984286	NUESRKAKYXIZCV-UHFFFAOYSA-N	427.464	3.825	5	40	IHBB	
COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	100379047	ZGJQSPINOPAOTC-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408685732	QEGOTGBRWRYOIB-RTBURBONSA-N	437.427	3.633	5	40	IHBB	
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	1087572	GGWYYPBMPAFXIV-NRFANRHFSA-N	447.451	3.591	5	40	IHBB	
CC(C)CN1CCC(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1	12558020	YSYVDLPKFWSYQN-UHFFFAOYSA-N	438.594	3.692	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)n1C	3400226	VMVJXXSCUPQUFN-CYBMUJFWSA-N	427.486	3.827	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1	19928013	MJBVRWGEWHNGPW-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-]	3251978	MGKBOCMKEUGAFK-UHFFFAOYSA-N	438.874	3.629	5	40	IHBB	
CC(C)CCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	8769576	WVURHXBQJVJIRJ-QPPBQGQZSA-N	446.507	3.807	5	40	IHBB	biogenic
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1	17950182	SCCPQDAGFFQDBE-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-]	9699931	AJXFESKRYXDBMT-UHFFFAOYSA-N	447.513	3.532	5	40	IHBB	
C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1	9720337	MSYMWCQUYGGGSU-LBPRGKRZSA-N	430.313	3.801	5	40	IHBB	
C[C@@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(N)nc(Nc2ccccc2)n1	12643556	IZTDLPJSYAFZNG-GFCCVEGCSA-N	440.485	3.967	5	40	IHBB	
COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)cc1	22257423	UONKWDOLHXGOER-UHFFFAOYSA-N	440.456	3.778	5	40	IHBB	
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1(c2ccc(Br)cc2)CC1	48279199	JCOAJCWMHRWQQS-UHFFFAOYSA-N	431.695	3.978	5	40	IHBB	
Cc1[nH]c(CN(C)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1	97000816	ICBYMUVRBADULK-UHFFFAOYSA-N	442.863	3.710	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225082373	IWIRKEXMUAZILQ-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1	408550259	CBPBVXFNRWRLJN-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1OC	9390992	BIYCVNKLKQSQPA-UHFFFAOYSA-N	440.481	3.726	5	40	IHBB	
O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc([N+](=O)[O-])ccc1Cl	10186629	IJYQPJLTRMPWKD-UHFFFAOYSA-N	439.859	3.794	5	40	IHBB	
O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	12566117	HYGBPHPPDRBGFA-UHFFFAOYSA-N	430.360	3.820	5	40	IHBB	
CCOc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	12588219	WMHYCANZKJRPGC-UHFFFAOYSA-N	443.239	3.861	5	40	IHBB	
Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1F	57470757	CRAFNDCJGDZYFZ-INIZCTEOSA-N	437.475	3.740	5	40	IHBB	
O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1	408563757	XBLAUUZGLXEUDD-UHFFFAOYSA-N	429.816	3.789	5	40	IHBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O	409227522	ZLCVLXHLIRQFJF-YVLHZVERSA-N	428.422	3.618	5	40	IHBB	
COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](c3ccccc3)C2=O)cc1[N+](=O)[O-]	8737853	KMLIJRCVFSPPMM-QFIPXVFZSA-N	446.415	3.589	5	40	IHBB	
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	10810136	IYILUWICIQHJIZ-LBPRGKRZSA-N	436.390	3.814	5	40	IHBB	
O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1C(=O)NC1CC1	13074583	PYGFTPBWOXKFRK-UHFFFAOYSA-N	449.419	3.543	5	40	IHBB	
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	16484002	NIXRPVWPLSWPSD-HSZRJFAPSA-N	431.496	3.800	5	40	IHBB	
Cn1ccnc1[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1	32888490	AUDATHDAQHDUAY-XMMPIXPASA-N	440.478	3.933	5	40	IHBB	
CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57671594	BDMDXYMVYYQLCH-FQEVSTJZSA-N	441.561	3.601	5	40	IHBB	
CC1=NN(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)[C@@](O)(C(F)(F)F)C1	13959734	HIGSUTUCQKIYNK-INIZCTEOSA-N	447.753	3.893	5	40	IHBB	
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	10010432	TZRAMEGRFHEJHA-UHFFFAOYSA-N	437.283	3.822	5	40	IHBB	
O=[N+]([O-])c1ccccc1SNS(=O)(=O)c1nnc(-c2ccccc2Cl)s1	16450667	XGLDRSBWOQHDTC-UHFFFAOYSA-N	428.904	3.752	5	40	IHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	17095738	XCLBASBELXKDIB-UHFFFAOYSA-N	428.382	3.595	5	40	IHBB	
CSCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	19923935	OXBSLCKTGKYGOL-IBGZPJMESA-N	434.514	3.687	5	40	IHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2ccccc2F)CC1	24256889	MTKJDDASCWCJGO-UHFFFAOYSA-N	429.495	3.638	5	40	IHBB	
O=C(NC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1)c1ccsc1	69950444	YULMCBFXECEFTJ-UHFFFAOYSA-N	445.544	3.637	5	40	IHBB	
COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1	89481769	DEVTUKQUASHTOF-UHFFFAOYSA-N	449.419	3.651	5	40	IHBB	
CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1	3195831	KFLDXDOBCRAPMO-UHFFFAOYSA-N	430.372	3.552	5	40	IHBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1	9226710	ZOBSCQJZVLFKJR-KRWDZBQOSA-N	433.464	3.973	5	40	IHBB	
COc1ccc(Cc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1	9698925	YODHAHKUYKUQBG-UHFFFAOYSA-N	433.877	3.697	5	40	IHBB	
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	48354250	GWLLJBHGRKJEAX-UHFFFAOYSA-N	432.864	3.675	5	40	IHBB	
CCCOc1ccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)cc1	408571466	BYSDHOOPYAFVBC-UHFFFAOYSA-N	441.484	3.523	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C	408702662	NFOUYGYHMGNZMV-UHFFFAOYSA-N	447.513	3.585	5	40	IHBB	
CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	14121485	QMOGGZCITQUUDD-UHFFFAOYSA-N	427.486	3.824	5	40	IHBB	
COC(=O)C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	17586972	ZXGOCTZXZOMTED-GOSISDBHSA-N	445.903	3.885	5	40	IHBB	
Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-]	22460578	SZBBVHPTBYCOFR-AWEZNQCLSA-N	437.905	3.596	5	40	IHBB	
Cc1cc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)ccc1Br	36391061	ODFZSDQYKKQKOP-CYBMUJFWSA-N	432.274	3.966	5	40	IHBB	
Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1Cl	57547274	CUIPXIMGYLKKIG-UHFFFAOYSA-N	439.903	3.866	5	40	IHBB	
COc1cc(C(=O)Nc2nc(C(N)=O)cs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	72288280	ASBBMVPSURMUEL-UHFFFAOYSA-N	448.844	3.857	5	40	IHBB	
Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-]	89651396	DIVNTKCLLREADA-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220402808	NSEIQZWZOBGNGI-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
Cc1cc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)ccc1[N+](=O)[O-]	960093	KGGUTYPDDHOCNB-UHFFFAOYSA-N	430.416	3.961	5	40	IHBB	
O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccccc1OC(F)F	9539401	VPUTYEREABFRLB-UHFFFAOYSA-N	449.410	3.982	5	40	IHBB	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)C12CC3CC(CC(C3)C1)C2	9630817	VTODRLJLBVOKCY-CSNVJCEJSA-N	442.545	3.604	5	40	IHBB	
Cc1cccc(N2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)c1	16281754	IQIDPTLXHAZAGN-UHFFFAOYSA-N	433.512	3.727	5	40	IHBB	
CCc1nnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1	29875885	JGCGDTCWOIEUBA-UHFFFAOYSA-N	428.367	3.519	5	40	IHBB	
Cc1c(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220032815	QXLVHVQQMUECNV-INIZCTEOSA-N	447.557	3.844	5	40	IHBB	
Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	408641789	MZKDMDWFGQKFMG-ZDUSSCGKSA-N	432.274	3.966	5	40	IHBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408679414	DYXVCPZKFOTQCJ-CCKFTAQKSA-N	439.443	3.713	5	40	IHBB	
Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cccc1[N+](=O)[O-]	8946978	HPSMWRFINIJNLV-HSZRJFAPSA-N	438.484	3.606	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1	9714605	PTQIVKPOADYBMV-UHFFFAOYSA-N	439.497	3.843	5	40	IHBB	
COC(=O)c1c(NC(=O)c2cc3ccc4ccccc4c3oc2=N)sc(C(N)=O)c1C	17099489	CJKRGJATXIYNBP-UHFFFAOYSA-N	435.461	3.573	5	40	IHBB	
C[C@H](OC(=O)c1csc(-c2ccccn2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	58161362	IXIZXEUTWLIWHW-JTQLQIEISA-N	432.845	3.951	5	40	IHBB	
Cc1c(Cl)cccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	218269807	BEXZYHODIFGYRC-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	220392928	RKHOOBZKGOZSKK-IRXDYDNUSA-N	433.530	3.552	5	40	IHBB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	220397304	KRKFPKHXTDGTCI-FXAWDEMLSA-N	447.557	3.942	5	40	IHBB	
CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)n[nH]1	408553583	AUJNOJATHHCHNT-UHFFFAOYSA-N	429.458	3.518	5	40	IHBB	
CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	1848383	NRPPXKAHIBIAMM-UHFFFAOYSA-N	430.486	3.859	5	40	IHBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1	2802068	SIDQDCZFFLLRCH-UHFFFAOYSA-N	428.474	3.709	5	40	IHBB	
COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1	9209926	WJWDXWPFSSJJII-HUVFLSCGSA-N	439.512	3.910	5	40	IHBB	
O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17100056	NOCGPZNLAAONLP-UHFFFAOYSA-N	436.440	3.923	5	40	IHBB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	13399875	ACODQRNBMSPJHN-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1	38191157	OTWCEKBHDRTQAU-UHFFFAOYSA-N	434.411	3.913	5	40	IHBB	
CCOc1ccc(N2C(=O)c3cccc4c(NCCCO)c([N+](=O)[O-])cc(c34)C2=O)cc1	95470812	AJFKCVOECMUIGG-UHFFFAOYSA-N	435.436	3.742	5	40	IHBB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1	102730196	WHVDSSFOLVXIRF-PCCBWWKXSA-N	433.395	3.785	5	40	IHBB	
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	102734230	GFEQTTSYRQKZLP-BHIFYINESA-N	445.431	3.655	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O	220381393	KZDMKVKGRMNKQL-LBPRGKRZSA-N	445.419	3.715	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC	409051398	LSPBKGSKGZCIGJ-ZDLGFXPLSA-N	448.428	3.866	5	40	IHBB	
CCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1[N+](=O)[O-]	9113262	RGTBJCJKTXJCMM-UHFFFAOYSA-N	442.350	3.762	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	9329623	BTYKVKZKPFZZEW-NJDAHSKKSA-N	433.395	3.785	5	40	IHBB	
COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1	12950519	ZWMYPYRZVMVGFD-CQSZACIVSA-N	444.852	3.691	5	40	IHBB	
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	95352101	SVWBWUIYMUELKZ-CYBMUJFWSA-N	448.405	3.942	5	40	IHBB	
C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220419085	ALLOAIOOPMUWLM-OAHLLOKOSA-N	447.513	3.709	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1	222362077	UXCOKRFYRUZNER-UHFFFAOYSA-N	445.419	3.799	5	40	IHBB	
CCOc1ccccc1-c1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n[nH]1	408583083	RKALHVLMPHOFRV-UHFFFAOYSA-N	429.458	3.518	5	40	IHBB	
COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OC	408617705	DNLVHIUGTAWWDU-UHFFFAOYSA-N	442.209	3.777	5	40	IHBB	
CCn1c(Cc2ccc(OC)c(OC)c2)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408637643	MIAYMSVTYHKQSE-UHFFFAOYSA-N	445.457	3.874	5	40	IHBB	
COc1cc(C(=S)N2CCCCC2)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1	866272	MSWQEGUAPYKLGT-UHFFFAOYSA-N	430.482	3.993	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccncc1	9284718	IVHZOBXIUPGRHA-UHFFFAOYSA-N	438.391	3.535	5	40	IHBB	
CNc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	9539495	AMQFUBBUGCNWKP-UHFFFAOYSA-N	444.491	3.653	5	40	IHBB	
CN(Cc1ccccc1N1CCOCC1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21	12521629	AIMXENBGSKJFMA-UHFFFAOYSA-N	441.531	3.650	5	40	IHBB	
COc1cc(NC(=O)CSc2nc(COc3ccc(C)cc3)n[nH]2)c(C)cc1[N+](=O)[O-]	16043913	JVDRAJSSXZMOIB-UHFFFAOYSA-N	443.485	3.648	5	40	IHBB	
CCNCc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(OC)c1	61003242	KMWMMBLSFHOZTE-UHFFFAOYSA-N	449.529	3.680	5	40	IHBB	
C[C@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	26939993	NBIYWIALKXRTFU-YJYMSZOUSA-N	435.461	3.547	5	40	IHBB	
Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	223485228	HWAJBDBJKCGYJW-GOSISDBHSA-N	447.557	3.944	5	40	IHBB	
Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C	6443446	YKIQMKFRGKRUBY-UHFFFAOYSA-N	426.502	3.683	5	40	IHBB	
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl	8902598	PLQOZZJGZFOTKD-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
Cc1nc(-c2ccc(CCNC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1	9577662	UNDPNLRFFJBUIR-UHFFFAOYSA-N	438.509	3.506	5	40	IHBB	
Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cccc1[N+](=O)[O-]	13137128	XXSIMZUJUHABRI-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	20798603	UNJBMBILCKQADY-IBGZPJMESA-N	437.452	3.732	5	40	IHBB	
CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1	27527751	VMWPOBDRABYZHO-UHFFFAOYSA-N	433.424	3.745	5	40	IHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1	32966882	YAZMVBSCACDUMQ-SFHVURJKSA-N	425.485	3.743	5	40	IHBB	
O=C1/C(=C/NNc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccc(Cl)cn1	38166001	LUIGWEJMKMGEPE-LDADJPATSA-N	435.827	3.788	5	40	IHBB	
C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1	70670183	RTQDXHMAHWNJLQ-QCCAPMPZSA-N	445.644	3.899	5	40	IHBB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	89637213	UDGBGUOQKXDDOD-UHFFFAOYSA-N	426.450	3.948	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	101080294	QCMIGTMWYPLPKM-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
COc1ccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)c([N+](=O)[O-])c1	409164050	BTSBYRPDFDILHI-UHFFFAOYSA-N	430.442	3.649	5	40	IHBB	
Cc1c(C(N)=O)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)OC(C)C	2102658	MYZBUIYQEAZKBI-UHFFFAOYSA-N	425.850	3.535	5	40	IHBB	
Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	2226820	TWDPUHGHMWZNDY-UHFFFAOYSA-N	443.463	3.706	5	40	IHBB	
O=C(Nc1cccc(Br)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	10187805	UQLYHKVYDHHBAR-UHFFFAOYSA-N	428.242	3.820	5	40	IHBB	
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1	12869193	YRCLJDZWUADSKT-UHFFFAOYSA-N	431.514	3.731	5	40	IHBB	
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)nn1	15880832	GBBIHQJVPKAOOU-UHFFFAOYSA-N	446.872	3.751	5	40	IHBB	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c1	17244635	VOEFIFMWXAJBRR-GASCZTMLSA-N	447.513	3.522	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	102713461	IOSCYWBRIHXQPY-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl	107806653	HVXCFXCOAHRDLJ-SNVBAGLBSA-N	432.285	3.516	5	40	IHBB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1	409176059	XTUONMBGZVPOAI-CXUHLZMHSA-N	429.479	3.992	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1	9244830	RSROPSYVOOIRMO-HXUWFJFHSA-N	427.457	3.821	5	40	IHBB	
COc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	10911843	LLJSHFMNFMPMLV-LLVKDONJSA-N	434.832	3.873	5	40	IHBB	
CCCCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21	17083390	ZSQUEJRZYQORSN-HXUWFJFHSA-N	447.285	3.965	5	40	IHBB	
CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	32966748	UYELPYLMPOHPCS-SFHVURJKSA-N	425.485	3.887	5	40	IHBB	
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cc([N+](=O)[O-])ccc1Cl	218126721	DMGUTAQUBOYQEJ-UHFFFAOYSA-N	437.637	3.991	5	40	IHBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222544701	BWVOXMAJDGWNLO-QHCPKHFHSA-N	449.482	3.663	5	40	IHBB	
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC1CCCCC1	408677170	QIPQFHLQUPOBOT-UHFFFAOYSA-N	447.513	3.775	5	40	IHBB	
O=c1n(Cc2ccccc2F)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccccc1F	408974349	FGBAJOVNQPEESP-UHFFFAOYSA-N	440.362	3.994	5	40	IHBB	
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1[N+](=O)[O-]	14273523	KKIXEGJJKBGBBQ-UHFFFAOYSA-N	446.891	3.568	5	40	IHBB	
Cc1c(NC(=O)[C@@H](C)OC(=O)CNc2ccc(Br)cc2)cccc1[N+](=O)[O-]	89540501	XBUXNPCHKRYLKO-GFCCVEGCSA-N	436.262	3.648	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1[N+](=O)[O-]	409228294	WXFFGKHHRJMVJZ-CXUHLZMHSA-N	447.856	3.932	5	40	IHBB	
Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4s3)c(N)n(Cc3ccccc3)c2c1=O	9440424	LKQQKGIPNGSRRC-UHFFFAOYSA-N	432.465	3.550	5	40	IHBB	
O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1nc2ccc([N+](=O)[O-])cc2s1	9814364	VCNQNXMKMMDYNL-UHFFFAOYSA-N	429.439	3.688	5	40	IHBB	
COc1cc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-]	12564590	KWAWCYLCKZDVNS-UHFFFAOYSA-N	436.848	3.905	5	40	IHBB	
Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C	15881356	FIDRKYQPCDOPSJ-UHFFFAOYSA-N	429.436	3.866	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	18152240	FKUSPIUAIQCNHS-VJBWXMMDSA-N	443.459	3.950	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222519752	VSCPTGJJYNGDSP-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCN(C)C)C3=O	10233062	HMDNANUIVKTBKV-IBGZPJMESA-N	441.871	3.770	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1	11582394	XFLYLUWAQGFVEE-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1	17244631	VOEFIFMWXAJBRR-GJZGRUSLSA-N	447.513	3.522	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c4ccccc34)CC2)cc1	22132483	XZACCSGTJNRWEO-UHFFFAOYSA-N	447.560	3.903	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223238331	SHTKQKWLSVWHPB-YCRPNKLZSA-N	445.541	3.506	5	40	IHBB	
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1	260926967	XFFRQQOMRJNGIN-STZQEDGTSA-N	449.536	3.932	5	40	IHBB	
Cc1c([N+](=O)[O-])cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1[N+](=O)[O-]	4177405	SAYLONHVZHJJOE-UHFFFAOYSA-N	432.458	3.883	5	40	IHBB	
O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccco1	10722232	SFCCBTLQLFEGQX-UHFFFAOYSA-N	436.424	3.529	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)n2)cc1	58161891	ICXKTDGZXGQMGA-QGZVFWFLSA-N	449.446	3.880	5	40	IHBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	103002660	NCUNSLYYVYSWPP-BHDDXSALSA-N	445.431	3.655	5	40	IHBB	
CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222541125	OMKAFLHRWXHKFE-FQEVSTJZSA-N	447.557	3.505	5	40	IHBB	
CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	224052467	NWVUUGVSLVVTNN-MGPUTAFESA-N	433.530	3.579	5	40	IHBB	
CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225082756	WETDGGPCCQOHRX-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408676158	AETKJPDMURMFQU-IRXDYDNUSA-N	439.855	3.757	5	40	IHBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	409162565	FYTRLOYHCWIBMV-SXGWCWSVSA-N	447.856	3.932	5	40	IHBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCCC1	2092394	RKMYFNRTXRSITN-XUZZJYLKSA-N	444.491	3.704	5	40	IHBB	biogenic
OCC[N+]1(Cc2ccccc2)CCC(C2CC[N+](CCO)(Cc3ccccc3)CC2)CC1	4683885	AWPWUBWQLSVBCE-UHFFFAOYSA-N	438.656	3.825	5	40	IHBB	
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCCCC1	15410941	BKPMJSBRJDWUQI-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
Cc1c(NC(=O)[C@H](C)OC(=O)CNc2ccc(Br)cc2)cccc1[N+](=O)[O-]	89540503	XBUXNPCHKRYLKO-LBPRGKRZSA-N	436.262	3.648	5	40	IHBB	
Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2	2258051	INMBAKVBTPWOMX-UHFFFAOYSA-N	427.464	3.977	5	40	IHBB	
CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C(=O)N(C)C)c1C	19630676	YROUKMMEXXXVIN-UHFFFAOYSA-N	439.877	3.749	5	40	IHBB	
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)C1	32910909	MJQVEFUCNHRKJH-MRXNPFEDSA-N	448.548	3.930	5	40	IHBB	
O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCCc4ccc([N+](=O)[O-])cc43)ccc21	522872716	JYZMUMYVHCWCJO-UHFFFAOYSA-N	448.456	3.565	5	40	IHBB	
CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O	2091606	LAUHQKWVWDBCBB-IJIZOXLDSA-N	432.480	3.560	5	40	IHBB	biogenic
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)NCc1ccccc1	3308965	TYNLLAFVWCBJBK-UHFFFAOYSA-N	446.488	3.702	5	40	IHBB	
Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	8435640	ASEQMSOSEKZRTA-UHFFFAOYSA-N	432.893	3.720	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)N1CCOCC1	9323554	LGUFAAMJPMNQAJ-KGENOOAVSA-N	432.501	3.888	5	40	IHBB	
O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccc([N+](=O)[O-])cc1	15882668	WVRZBHCBJIIFOG-UHFFFAOYSA-N	448.461	3.960	5	40	IHBB	
C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57218108	UVCQMJKVDZARKS-GOSISDBHSA-N	439.537	3.732	5	40	IHBB	
Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C	218364327	IUEKTIRTDGPOPC-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220385327	KETNEGSQJHLBFR-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1	837153	CMEWECZFOCGWJK-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
COc1ccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c(=O)n2Cc2ccco2)cc1	2362693	HLJVRYCZVLFAJL-UHFFFAOYSA-N	430.416	3.828	5	40	IHBB	
CCCCNC(=O)CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12	2968964	ADDFEAJBBRCPBP-UHFFFAOYSA-N	436.497	3.861	5	40	IHBB	
CC1(C)Cc2c(sc3nc(N)n4c(SCc5ccc([N+](=O)[O-])cc5)nnc4c23)CO1	9353786	TYSRVSLUZJATHW-UHFFFAOYSA-N	442.526	3.973	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	9601328	IPEPAPNOCJRJOZ-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	16450416	ZDBFWHQEMKQUGS-UHFFFAOYSA-N	429.458	3.620	5	40	IHBB	
CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408685726	QEGOTGBRWRYOIB-MOPGFXCFSA-N	437.427	3.633	5	40	IHBB	
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C	409348854	SWACACZPOBZTET-UHFFFAOYSA-N	427.486	3.824	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	1547208800	QDQJBHNRFUPYAW-UVYNTUDKSA-N	434.540	3.971	5	40	IHBB	
Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2780093	QXPKBJFOQZGHDR-UHFFFAOYSA-N	427.154	3.668	5	40	IHBB	
CN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1	3435323	GJRSFBLTIFIHBO-UHFFFAOYSA-N	436.453	3.587	5	40	IHBB	
COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OCc1c(F)cccc1Cl	9234890	UCCWGEBVHZOMIN-SOFGYWHQSA-N	447.806	3.934	5	40	IHBB	
C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	13119863	GFVUOMIQFIHSLB-OAHLLOKOSA-N	436.434	3.787	5	40	IHBB	
Cc1cccn2c(=O)c3cc(C(=O)Nc4nc5ccc([N+](=O)[O-])cc5s4)sc3nc12	15441527	VWVVHLZIARRPHK-UHFFFAOYSA-N	437.462	3.988	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1CCCC[C@H]1n1cccn1	72307299	OXIXZURESXHDCJ-AZUAARDMSA-N	447.561	3.952	5	40	IHBB	
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1	101016522	MNUHBILPENDACX-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
COc1cc(OCC(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-]	520556144	ACEYCTMJSHOIRU-KRWDZBQOSA-N	427.501	3.531	5	40	IHBB	
CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O	1439195	FXZBPMIUAAXSAW-NVNXTCNLSA-N	430.800	3.917	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(C(=O)O)cc2)cc1	1746334	QINROFPXXJEAJW-UHFFFAOYSA-N	426.450	3.997	5	40	IHBB	
CCOC(=O)c1c(NC(=O)c2ccc(NCCCO)c([N+](=O)[O-])c2)sc2c1CCCC2	4420448	NXGLGDSRQNHYGL-UHFFFAOYSA-N	447.513	3.758	5	40	IHBB	
COCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	8792111	FJXGRLJGYJIRAI-OAHLLOKOSA-N	429.476	3.512	5	40	IHBB	biogenic
O=C(c1cnc2ccccc2n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	24644776	FIQTZEGCNWVBBK-UHFFFAOYSA-N	431.374	3.519	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCN(Cc2ccccc2)C1	33010787	HXUCBRAPVKIESD-CQSZACIVSA-N	429.420	3.575	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O	222377918	SFDOYFUSJFRJJH-HXUWFJFHSA-N	445.541	3.643	5	40	IHBB	
O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	9390990	BPUSILHYRKOOOT-WAPJZHGLSA-N	436.449	3.908	5	40	IHBB	
COCCNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	12791748	RAEISTFLLWXWPL-LJQANCHMSA-N	441.484	3.792	5	40	IHBB	
Cc1ccc(S[C@@]2(CN3CCOCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	16310863	CSVMMOHSTIRHJE-QFIPXVFZSA-N	428.510	3.650	5	40	IHBB	
COc1cc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1[N+](=O)[O-]	219822213	SDMVHLOIFGOROU-UHFFFAOYSA-N	427.457	3.683	5	40	IHBB	
C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1	12522173	YPXBPRXCWWLHOT-HUUCEWRRSA-N	434.899	3.775	5	40	IHBB	
COCCNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-]	12791753	RAEISTFLLWXWPL-IBGZPJMESA-N	441.484	3.792	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)C3=O	15838132	MHOGZIICVDLZIW-OAQYLSRUSA-N	444.447	3.842	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57652995	XMCNUHFIQVMNJU-HNNXBMFYSA-N	439.903	3.946	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CCCC[C@H]1n1cccn1	72307301	OXIXZURESXHDCJ-UYAOXDASSA-N	447.561	3.952	5	40	IHBB	
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)ccc2OC)cc1	408565277	BMZKDRROZXDXHW-IBGZPJMESA-N	430.486	3.712	5	40	IHBB	
CCn1c(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408632765	KGPOAKXNYBUYKD-GDNBJRDFSA-N	446.441	3.701	5	40	IHBB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1[N+](=O)[O-]	408670992	RFUARSBZWNGHKG-QGZVFWFLSA-N	447.447	3.591	5	40	IHBB	
COc1ccc(-n2ccnc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1	9669999	QCEOTDWSAUBXBX-UHFFFAOYSA-N	428.470	3.837	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1	22907970	JSSWGQFLZZGXOM-FQEVSTJZSA-N	443.550	3.734	5	40	IHBB	
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(Cl)c([N+](=O)[O-])c1	96544254	LOJJNFXYRQILDH-CXUHLZMHSA-N	449.847	3.854	5	40	IHBB	
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1	96585757	UCZOPYDYCWMUOS-MHWRWJLKSA-N	431.857	3.715	5	40	IHBB	
CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1	4089573	KZSUCVZXWCCZQB-UHFFFAOYSA-N	430.486	3.859	5	40	IHBB	
Cc1c(C(=O)Nc2c(N)nc(SCc3cccc(Cl)c3)[nH]c2=O)cccc1[N+](=O)[O-]	10243456	YWCXEPYQEMLKQR-UHFFFAOYSA-N	445.888	3.767	5	40	IHBB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1	19929226	NAQJTRFTQRCGNQ-UHFFFAOYSA-N	447.860	3.987	5	40	IHBB	
CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	22375306	UYJAKYGFAOOUFW-IBGZPJMESA-N	433.530	3.554	5	40	IHBB	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(F)c(C)c([N+](=O)[O-])c1	40140792	IUDRPMRJDJLNTG-UHFFFAOYSA-N	427.354	3.951	5	40	IHBB	
COc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1[N+](=O)[O-]	219822285	TVJXKSFGQXAXSD-UHFFFAOYSA-N	435.436	3.551	5	40	IHBB	
Cc1c(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220036680	QSXHKQDVBQRGFW-SFHVURJKSA-N	433.530	3.573	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	9318381	IOSCYWBRIHXQPY-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	9813092	XRWQJEYFIQCAKN-UHFFFAOYSA-N	429.381	3.892	5	40	IHBB	
O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	20153334	UZHFOEDYEVLNLY-UHFFFAOYSA-N	448.888	3.673	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	22878072	QJZPNCGZRDFFIS-UHFFFAOYSA-N	437.433	3.513	5	40	IHBB	
COCC[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccc(C)o1	95993874	CSXVPLQABHIVSL-SFHVURJKSA-N	437.518	3.861	5	40	IHBB	
O=C(/N=c1/sc(C(=O)c2cccs2)nn1-c1ccccc1[N+](=O)[O-])c1ccccc1	3849181	QWDPHGISZJNGSA-QZQOTICOSA-N	436.474	3.876	5	40	IHBB	
O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	8902519	HEOOMCMXTJWNOY-UHFFFAOYSA-N	438.396	3.852	5	40	IHBB	
CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc([N+](=O)[O-])c1	9392204	POKCUOYBTZMCLF-IBGZPJMESA-N	444.513	3.690	5	40	IHBB	
CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1	9415355	NUMXVZDGMDLILD-HNNXBMFYSA-N	430.486	3.573	5	40	IHBB	
COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	9671314	CRGPKHPHGOXAPC-UHFFFAOYSA-N	443.500	3.787	5	40	IHBB	
Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	12548938	LDUXUTRWTCCHEP-UHFFFAOYSA-N	425.272	3.719	5	40	IHBB	
CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1	20847212	GHEKPOMBNKSMFW-UHFFFAOYSA-N	442.497	3.789	5	40	IHBB	
COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)cc1	224048558	MDRZLLSGCKABQA-KRWDZBQOSA-N	439.512	3.622	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1	9364159	YJCHGSORDZFEHN-UHFFFAOYSA-N	429.483	3.738	5	40	IHBB	
C[C@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccccc1	10325978	NIKIZZVRIQJVTA-HNNXBMFYSA-N	437.477	3.987	5	40	IHBB	
C[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12951206	CEMDWHRMETWFOW-JXFKEZNVSA-N	443.459	3.680	5	40	IHBB	
C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57648144	UZBQZNSYCBNMGB-OAHLLOKOSA-N	439.903	3.946	5	40	IHBB	
C[C@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	819468	UUMVABGBGYHZKQ-VBKZILBWSA-N	439.855	3.711	5	40	IHBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	8984192	NQCWZBIXVXZRON-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
O=C(c1ccccc1F)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9891981	IINGUTPHBCHACJ-UHFFFAOYSA-N	442.325	3.623	5	40	IHBB	
Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	15729583	CPPFIEZKYQOXLG-UHFFFAOYSA-N	435.827	3.903	5	40	IHBB	
CC(C)(C)NC(=O)COc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1	16322865	QWPHWNYEEPYCMY-UHFFFAOYSA-N	434.924	3.743	5	40	IHBB	
O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@@H](O)COc1cc(Cl)ccc1Cl	24833622	LXSBGAUQKSLDSR-SNVBAGLBSA-N	444.658	3.705	5	40	IHBB	
NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	36386334	GGBJAHBDTAMPEZ-KRWDZBQOSA-N	442.825	3.616	5	40	IHBB	
CCN(CC)CCSc1nc2ccccc2c2nc(=O)c(-c3ccc(OC)cc3)nn12	58046943	SZROZBTVTDKYLP-UHFFFAOYSA-N	435.553	3.747	5	40	IHBB	
Cc1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(F)c1	58128534	WSMNUNVNXMQZDN-UHFFFAOYSA-N	440.397	3.822	5	40	IHBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224848947	YFAJBVHPIPGBGO-INIZCTEOSA-N	447.532	3.911	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409176119	HUPLHIFFEIJUKS-UHFFFAOYSA-N	441.421	3.897	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	409183468	SPMBNWHJSMSXOD-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21	57681982	VJPJWAVQDXEXFJ-UHFFFAOYSA-N	427.416	3.654	5	40	IHBB	
CCN(C(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1cccc2ccccc12	3235556	BPIMWNAOPKUADW-UHFFFAOYSA-N	436.420	3.745	5	40	IHBB	
O=C(c1ccccc1)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	57366889	PCPAKLYWMFPJOT-UHFFFAOYSA-N	445.475	3.877	5	40	IHBB	
CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1	9724009	JWNKSXJXRUCJCQ-OAHLLOKOSA-N	449.529	3.594	5	40	IHBB	
CCc1cccc2c(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c[nH]c12	9964014	UKBDKDGRHWNDEJ-UHFFFAOYSA-N	437.452	3.515	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	409183208	SOTSVWOXSOZDKS-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1	225636283	KEIPCAICARMSSG-UHFFFAOYSA-N	439.515	3.721	5	40	IHBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224741641	WFXSXEGVIWBMLM-FQEVSTJZSA-N	429.492	3.856	5	40	IHBB	
Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	882923	IXOUDOIHHDWWHM-UHFFFAOYSA-N	432.893	3.720	5	40	IHBB	
COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1	2247960	VCSPOUKVJVKIAU-GOSISDBHSA-N	441.491	3.780	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1	9254499	KGBZKHVQAJOWOE-UHFFFAOYSA-N	430.461	3.873	5	40	IHBB	
O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1	56945855	SLCWLBBCDIUPIC-OAQYLSRUSA-N	438.459	3.620	5	40	IHBB	
CS(=O)(=O)c1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-]	58159659	OVMVWYWSRAZDPR-AWEZNQCLSA-N	446.460	3.571	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C1=O	102750621	LYHURZVPPLFWJW-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	9307058	QYGAIPNYDYKXHJ-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br	12570061	ZHGAUHCLGLIJRZ-UHFFFAOYSA-N	449.044	3.855	5	40	IHBB	
Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccccc3)C2=O)c1	13759153	KVWRTGLPXOMTMP-FDFHNCONSA-N	429.432	3.954	5	40	IHBB	
COc1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c(C)cc1[N+](=O)[O-]	13777885	MMMCHSSGUNPDDT-UHFFFAOYSA-N	443.485	3.753	5	40	IHBB	
CC(C)C(=O)Oc1cn(CCN2CCOCC2)c2nc(C(C)C)n3c4ccccc4nc3c12	20403672	PNKHKWFFRKVNIT-UHFFFAOYSA-N	449.555	3.854	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222529444	SUHLOCIZTLDTMC-OXJNMPFZSA-N	433.530	3.634	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(I)cc1	6194338	YFKBIOLQXZZBCD-UHFFFAOYSA-N	441.250	3.635	5	40	IHBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC3CC(C)(C)NC(C)(C)C3)c([N+](=O)[O-])c2)C1	8726076	ADBANGOSUSAFQQ-OAHLLOKOSA-N	438.594	3.737	5	40	IHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1	15549387	MQDBVMSCOOBHAP-CYBMUJFWSA-N	448.405	3.826	5	40	IHBB	
CC(C)OC(=O)C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-]	22188847	SPSFNVSQZUAFNG-INIZCTEOSA-N	448.859	3.832	5	40	IHBB	
Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	22393037	ASHUQHGENJQZNX-UHFFFAOYSA-N	449.485	3.938	5	40	IHBB	
Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2c(=O)n1-c1ccccc1	23143759	IIEWWQNVQRXRPT-UHFFFAOYSA-N	445.391	3.763	5	40	IHBB	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NCc1ccccc1	25440707	PVSPKKPOHGWMNV-UHFFFAOYSA-N	439.493	3.942	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	32125168	QKKJIDUPGFUNLA-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222938640	JUPRXANUXDJWBU-OAHLLOKOSA-N	433.505	3.521	5	40	IHBB	
COc1ccc2c(c1)-c1nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc1CC2	409053064	WXJNXTWVZRLYMX-UHFFFAOYSA-N	426.410	3.986	5	40	IHBB	
Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	10380312	DONXEKPJBXAYHS-UHFFFAOYSA-N	440.481	3.981	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1	15391703	VWDONVCCPXRZJO-SNAWJCMRSA-N	430.436	3.845	5	40	IHBB	
CCN1CCN(c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	32888350	MNNNZPOAYQIKHP-UHFFFAOYSA-N	440.547	3.935	5	40	IHBB	
O=C(CSc1nnc2nc3[nH]c4ccccc4c3nn12)Nc1cccc(C(F)(F)F)c1	35224145	DXIYJGVWBDJYJO-UHFFFAOYSA-N	443.414	3.903	5	40	IHBB	
Cc1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	409321093	GOEHOOUOISTDOZ-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	8927103	XUCNCCCCVAKGJT-MOSHPQCFSA-N	432.392	3.913	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	9280914	TVNKGLFFGUBVSO-NJYVYQBISA-N	433.395	3.785	5	40	IHBB	
C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	17940589	JNJBLBPNNDYNOI-ZDUSSCGKSA-N	430.461	3.534	5	40	IHBB	
COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	409347461	PUAVLXAOAFCPHR-VCHYOVAHSA-N	428.422	3.531	5	40	IHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl	17099240	OEXKXZWJGFPYKJ-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCC2)c1=N)c1ccccc1	100882418	BFERYHIXPDTHPM-INIZCTEOSA-N	427.508	3.735	5	40	IHBB	
O=C(OC1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	101054864	ZJQNKUYZBUQGAD-PMACEKPBSA-N	447.495	3.633	5	40	IHBB	
Cc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	101157333	FKUSPIUAIQCNHS-ZRBLBEILSA-N	443.459	3.950	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCCCC1	205910527	ICIANGZMNJKLKO-LDADJPATSA-N	441.465	3.904	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223836693	KEBKWWBIFVNGBM-CYBMUJFWSA-N	438.311	3.998	5	40	IHBB	
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	10119893	XHIBMSXQFARPEX-UHFFFAOYSA-N	430.833	3.675	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	139152430	ULQWDEVSJCJVLY-OALUTQOASA-N	439.855	3.757	5	40	IHBB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1	409002651	OWQNPDHRUDPVGS-NRFANRHFSA-N	432.432	3.882	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2665257	DESSFXSSAHKYAE-PKNBQFBNSA-N	438.415	3.732	5	40	IHBB	
CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2oc1=O	2887470	IGHGSGWTKVNFIR-UHFFFAOYSA-N	430.800	3.714	5	40	IHBB	
CCN(CC)CCCN(c1ccc(OC)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	8694308	NOLVUNAKNOGMRF-UHFFFAOYSA-N	435.546	3.839	5	40	IHBB	
CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	13128732	HCFUNYXPDSEZSN-UHFFFAOYSA-N	426.502	3.952	5	40	IHBB	
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1ccc(CO)o1	20142917	DYESEFKUBHHVFP-UHFFFAOYSA-N	437.452	3.744	5	40	IHBB	
COCCN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O	409215575	BMEZTJLOJFIPNR-LICLKQGHSA-N	445.409	3.978	5	40	IHBB	
CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O	2091608	LAUHQKWVWDBCBB-WRPOGVCQSA-N	432.480	3.560	5	40	IHBB	biogenic
CCCn1c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)nc2ccccc21	9120718	UNAIOSKZHOMPCX-UHFFFAOYSA-N	437.485	3.887	5	40	IHBB	
COc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c([N+](=O)[O-])c1	9507355	GTFXFWFRRFNJHQ-UHFFFAOYSA-N	434.452	3.584	5	40	IHBB	
Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1	9643693	AGYLJOSXUNOSAO-INIZCTEOSA-N	434.452	3.807	5	40	IHBB	
COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)cc1	16732830	MVHYOHJPBPORNP-UNOMPAQXSA-N	446.444	3.543	5	40	IHBB	
COc1cccc(-c2c[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	83973788	XWLBECWRUFPOCE-IBGZPJMESA-N	428.470	3.519	5	40	IHBB	
C[C@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	103491599	VOHZCDYWDYHEFK-BJMYLWLSSA-N	444.509	3.917	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(F)cc1	408574060	UNJYRVRIBSIMJK-LPVCTFIXSA-N	447.466	3.973	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1	409235022	AQPDIEPGFCNAQA-JOXYEXRGSA-N	427.413	3.965	5	40	IHBB	
O=[N+]([O-])c1ccn(CCc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)n1	2809521	HRYAUQFNAFTILT-UHFFFAOYSA-N	448.871	3.666	5	40	IHBB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	16600867	UOKARXAKOBXAPE-UHFFFAOYSA-N	443.866	3.844	5	40	IHBB	
CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1	17101085	FJUBLPJFQSWDBC-UHFFFAOYSA-N	437.283	3.822	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C	20061806	WFBUIWQFKKZZLL-UHFFFAOYSA-N	431.514	3.885	5	40	IHBB	
C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	31535512	GCIRHOJYGFXWQB-CQSZACIVSA-N	441.875	3.817	5	40	IHBB	
CC(C)Oc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	222364614	JSURRISUVUBEOH-UHFFFAOYSA-N	435.502	3.567	5	40	IHBB	
Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C	408637805	AFEWXGNOFLVJQP-CYBMUJFWSA-N	432.274	3.966	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1	409134864	OMXGSCNMBCMBFH-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1	519731954	YDAVPXOFXIUDRL-AREMUKBSSA-N	426.472	3.638	5	40	IHBB	
COc1cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OC)c1OC	10128006	QPXRWBFJRPLPRF-UHFFFAOYSA-N	439.877	3.709	5	40	IHBB	
CN(C(=O)COC(=O)c1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2Cl)CCCCC1=O	21577803	WRPRYPZNZYJVQF-QFIPXVFZSA-N	444.871	3.902	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	79066464	CRACOADUGWUNAA-STQMWFEESA-N	441.456	3.596	5	40	IHBB	
COc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl	8902380	LWIZNCQMNFYIRY-UHFFFAOYSA-N	426.256	3.999	5	40	IHBB	
O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1	9708338	GRGQPJSCTPMJRP-LJQANCHMSA-N	436.493	3.515	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	9289733	DGDNQFKQKGSJEJ-CQSZACIVSA-N	443.308	3.731	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F	57622372	QTOSXXBXDJAJDU-SNVBAGLBSA-N	439.396	3.661	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14269577	FHBAIFSHUNNLJS-UHFFFAOYSA-N	443.485	3.929	5	40	IHBB	
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	19630074	UKNUZQDUKRMHBJ-UHFFFAOYSA-N	439.541	3.922	5	40	IHBB	
O=c1[nH]nc(-c2ccc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])c2)c2ccccc12	35984426	FLINEJJSEZXYAL-UHFFFAOYSA-N	433.512	3.953	5	40	IHBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1	214764791	UCZFYGAHNZUSPF-GZTJUZNOSA-N	427.438	3.669	5	40	IHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F	408563264	KJEHHBBPRIBOAD-KRWDZBQOSA-N	443.765	3.515	5	40	IHBB	
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	14091737	BCJWEDFXWZLHOU-UHFFFAOYSA-N	427.486	3.536	5	40	IHBB	
O=C(OCc1cnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	16045557	DBIXPWWDGVUVGL-UHFFFAOYSA-N	425.466	3.912	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1	34738528	TYTDXZZDSHWLNW-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCc4nccn4C3)c([N+](=O)[O-])c2)c(C)c1	58169315	GKSFHIBADCMBRE-MRXNPFEDSA-N	441.513	3.636	5	40	IHBB	
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1	28924643	MXSYNBHEYSTGQZ-NRFANRHFSA-N	436.493	3.660	5	40	IHBB	
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2	12640332	RXLIMWSBYKRKJS-UHFFFAOYSA-N	440.437	3.636	5	40	IHBB	
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	21578227	YFBCZKBPWMQLOG-UHFFFAOYSA-N	430.892	3.949	5	40	IHBB	
CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2	23544360	QXCZCRCXPRBCMC-FOWTUZBSSA-N	431.448	3.923	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)cc2)cc1	32640689	OPAHJUDCDSPLFT-DLBZAZTESA-N	437.930	3.523	5	40	IHBB	
C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220402873	NSEIQZWZOBGNGI-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
CCSc1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222529818	IAHYBVRKRBWFJY-QGZVFWFLSA-N	437.543	3.890	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c(C)c1	408550595	DQTSWTAAPIYMCB-SFHVURJKSA-N	445.541	3.868	5	40	IHBB	
Cc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	408677341	BXMZMVFGLZHJQP-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1	409182842	PEMYAVWCSOLQFJ-UHFFFAOYSA-N	426.135	3.531	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1O	409412582	YAQXMHIZQZWAPP-UHFFFAOYSA-N	433.877	3.963	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1C	888388	WAPDTPUXKPBRHS-UHFFFAOYSA-N	440.529	3.991	5	40	IHBB	
CC[C@H](C)NC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1	2091982	ORVMMFUCVKMBOU-JTQLQIEISA-N	443.441	3.893	5	40	IHBB	
O=C(Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1)c1ccccc1	8817111	MZARAQUSHANMQK-UHFFFAOYSA-N	428.408	3.680	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1	12538848	PICSUJWHFLSERM-UHFFFAOYSA-N	449.529	3.568	5	40	IHBB	
CC(C)N(CCNS(=O)(=O)c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1)C(C)C	13040761	OCOXUDISUWMBPH-UHFFFAOYSA-N	448.589	3.628	5	40	IHBB	
COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1	17227480	FAPMWSZRHLNDNJ-UHFFFAOYSA-N	430.442	3.605	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(C(=O)NCc2ccccc2)c1	23862900	IMOCIYVURWUOFS-UHFFFAOYSA-N	426.450	3.601	5	40	IHBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1	102754741	MOSFIMPGJSYNDM-BHIFYINESA-N	445.431	3.655	5	40	IHBB	
COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	107738558	SUHOUQRIDMFAEA-UHFFFAOYSA-N	427.438	3.999	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O	220381468	KZDMKVKGRMNKQL-GFCCVEGCSA-N	445.419	3.715	5	40	IHBB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	220397458	HOGNSEGFAVGNDR-YLJYHZDGSA-N	447.557	3.942	5	40	IHBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1Cl	408638238	QBAAGDISLWIHKO-NSHDSACASA-N	437.235	3.681	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1	409163486	SFGBDFGWOGCGTQ-UHFFFAOYSA-N	443.485	3.621	5	40	IHBB	
CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC	3441674	MOPIAVVHEVKTQN-CYBMUJFWSA-N	432.429	3.585	5	40	IHBB	
COC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792269	NPVAXRKQRKGLEE-LBPRGKRZSA-N	432.432	3.549	5	40	IHBB	biogenic
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12	43732496	LIUYHHHECMEOLP-JKHABCDFSA-N	446.438	3.505	5	40	IHBB	
O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(F)cc1	103586164	WYBHGXSQTYKGNI-FJAKRLOMSA-N	438.411	3.531	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	220396239	RRPANXKMAIWSCC-IRXDYDNUSA-N	433.530	3.552	5	40	IHBB	
Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	260914940	BYDKTCAVKHAQQK-MSOLQXFVSA-N	447.557	3.860	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F	409353133	YLYYADGWLCOGFD-NTUHNPAUSA-N	437.355	3.687	5	40	IHBB	
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OC)cc1	2449102	KFNHJAKPQKNFGA-UHFFFAOYSA-N	427.464	3.789	5	40	IHBB	
COc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-]	9703709	BDYMFWUYTSNJLM-UHFFFAOYSA-N	442.449	3.648	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C	12895009	FNEXQJWPLFZGHI-UHFFFAOYSA-N	428.514	3.835	5	40	IHBB	
COc1c(C)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	21124622	NCMJWJHYJAZFRH-UHFFFAOYSA-N	440.206	3.843	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1	34829252	WQCNTBXSHZJRPA-UHFFFAOYSA-N	430.892	3.868	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	138645427	QVONSIBMWGITTN-OALUTQOASA-N	441.871	3.981	5	40	IHBB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	408573994	GVBXAZAIBLRLPO-UHFFFAOYSA-N	449.463	3.837	5	40	IHBB	
CCN1C(=O)C(=C2C=C(C)N(c3cccc([N+](=O)[O-])c3)C(C)=C2)C(=O)N(CC)C1=S	3263546	LFFJALXLQTWSCV-UHFFFAOYSA-N	426.498	3.515	5	40	IHBB	
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1	15536402	LPHFKUPOXVFJDY-ZDUSSCGKSA-N	425.466	3.996	5	40	IHBB	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	101240720	IEYIAQKUFZAYBP-ZIAGYGMSSA-N	439.855	3.929	5	40	IHBB	
C[C@H]1CCCN(c2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2[N+](=O)[O-])C1	12578813	VBMADQNARQWGQR-INIZCTEOSA-N	438.484	3.721	5	40	IHBB	
COc1cc(OC)cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)c1	16014854	YSVUEGIFXUQEFO-UHFFFAOYSA-N	426.429	3.713	5	40	IHBB	
COc1ccc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1	96003405	JFUYTSBEODTYTN-UHFFFAOYSA-N	432.230	3.932	5	40	IHBB	
COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c1	102764141	OZVWQMZSXNUHBB-BHIFYINESA-N	445.431	3.655	5	40	IHBB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	223067364	GHDBVTOGHUKKIN-SFTDATJTSA-N	437.525	3.790	5	40	IHBB	
COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O	9065207	QMQGWHHVDDPKIG-CHHVJCJISA-N	430.800	3.835	5	40	IHBB	
NC(=O)c1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)sc2c1CCCC2	10592533	YTYFVSQVUSSHGP-UHFFFAOYSA-N	448.551	3.975	5	40	IHBB	
COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1	12554720	AXAGOHUVUVMBEF-UHFFFAOYSA-N	442.453	3.684	5	40	IHBB	
O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCN(Cc2ccc(F)cc2)CC1	32949801	ZZWZLMALPDUULF-UHFFFAOYSA-N	426.492	3.682	5	40	IHBB	
Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	218373619	QNORKSVRSFDPIL-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220403629	ZHMXXZHTAMOBCM-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225089466	BKGKWBPTNYQYMS-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	4120771	VINRUENKXHWCNH-ONNFQVAWSA-N	442.903	3.959	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)cc1[N+](=O)[O-]	5949401	AEIOARTXSUNFFL-UHFFFAOYSA-N	428.514	3.716	5	40	IHBB	
COc1ccc(CN(C)C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	9127598	NGBCZLUKLJBVQT-UHFFFAOYSA-N	427.379	3.701	5	40	IHBB	
Cc1[nH]nc(O)c1C(c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1c(O)n[nH]c1C	14134613	VFVZHLOEPCNKSO-UHFFFAOYSA-N	435.440	3.828	5	40	IHBB	
CC(C)[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1	79063735	UNMYYORGXAZCER-ZDUSSCGKSA-N	434.396	3.958	5	40	IHBB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Cc1ccccc1[N+](=O)[O-]	218163368	ZLWMSONJQPYVCR-UHFFFAOYSA-N	431.246	3.608	5	40	IHBB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	9664035	AJXLXQFCVVLZFO-UHFFFAOYSA-N	427.486	3.536	5	40	IHBB	
O=[N+]([O-])c1cccc(CNc2nc(-c3cccs3)nn2S(=O)(=O)c2ccccc2)c1	9667661	SQZBEBUEALBVIA-UHFFFAOYSA-N	441.494	3.764	5	40	IHBB	
O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	17094381	AFQRBVXUTGWEEI-UHFFFAOYSA-N	425.422	3.753	5	40	IHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	408644115	DQIGCXZDCZCEKF-JTQLQIEISA-N	443.239	3.859	5	40	IHBB	
Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1[N+](=O)[O-]	9404481	SFDBRKFNNOHHRN-UHFFFAOYSA-N	425.426	3.996	5	40	IHBB	
O=C(CSc1ncc(CO)n1Cc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	10336482	BCCDFUSXIQLUOT-UHFFFAOYSA-N	432.889	3.716	5	40	IHBB	
COc1cccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)c1	12527286	VALWEIXRADYQRC-DEOSSOPVSA-N	429.520	3.582	5	40	IHBB	
CSc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1[N+](=O)[O-]	12694229	KPHYAZMGCDPQGZ-UHFFFAOYSA-N	427.463	3.896	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1	32932667	MYVOQYYQDHJDSU-RTWAWAEBSA-N	444.557	3.849	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1	222533147	KLJUIXKJNOCRMT-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408563968	BWKWHMGIXIEAQH-NIDLKEISSA-N	447.466	3.927	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3	8640098	BTDUTJDCSPAEBH-UHFFFAOYSA-N	430.511	3.811	5	40	IHBB	
CC(C)(C)P(=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(N1CCOCC1)N1CCOCC1	9138613	PRROPCKNNCRDOM-UHFFFAOYSA-N	441.425	3.629	5	40	IHBB	
O=C(COc1ccc(F)cc1Br)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	24832033	VUNWJHZFUABFBB-UHFFFAOYSA-N	441.209	3.675	5	40	IHBB	
CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	220424355	UCPWUORIQNMBHF-QGZVFWFLSA-N	447.557	3.622	5	40	IHBB	
COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	224532096	IUWDDABALNTPJF-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1	9129241	FLPKZHZTKVXZJA-INIZCTEOSA-N	425.272	3.877	5	40	IHBB	
O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	16428759	KLUWEKCBIVNYEN-UHFFFAOYSA-N	443.809	3.995	5	40	IHBB	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c1	17244628	VOEFIFMWXAJBRR-HUUCEWRRSA-N	447.513	3.522	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	35078973	NNCQXHOQNOQWPQ-UHFFFAOYSA-N	430.892	3.868	5	40	IHBB	
Cc1c([N+](=O)[O-])cc(C(=O)Nc2scc(-c3ccccc3)c2C(N)=O)cc1[N+](=O)[O-]	2102861	UZDRKBZCKQWMIT-UHFFFAOYSA-N	426.410	3.891	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1nc2cc(F)c(F)cc2[nH]1	12736782	CIEFVEFBHLCJEQ-UHFFFAOYSA-N	440.453	3.685	5	40	IHBB	
N[C@@](CC(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1	66349336	BRQNRBLHGWITIA-XMMPIXPASA-N	432.432	3.579	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	222378522	FFMSIQMKJUUOBN-GOSISDBHSA-N	447.557	3.944	5	40	IHBB	
COc1cc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OC)c1OC	9274723	LUCKBPFRJRFCIA-UHFFFAOYSA-N	434.792	3.576	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)N3CCc4ccccc4C3)cc2[N+](=O)[O-])CC1	10210164	VYZCORJVMODZPX-UHFFFAOYSA-N	437.496	3.573	5	40	IHBB	
COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1	11650316	HZPCSKJRZWQDIH-UHFFFAOYSA-N	434.861	3.961	5	40	IHBB	
O=C(Nc1cccc2ccccc12)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12913074	HFBFRYAYWLCKSO-NRFANRHFSA-N	439.493	3.930	5	40	IHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1nc(-c2cccc(Br)c2)no1	217897539	CSMZJBCNYBWLJV-RMKNXTFCSA-N	429.230	3.737	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222515986	MCJFOHQGIIOZPS-INIZCTEOSA-N	445.419	3.797	5	40	IHBB	
COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225093862	ZCTNUCKSSJFYRI-UHFFFAOYSA-N	448.497	3.593	5	40	IHBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc21	408531137	MGBIANJSEKOYHO-LZYBPNLTSA-N	444.856	3.680	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	4417295	ONLXGCZMKLNNRV-UHFFFAOYSA-N	442.409	3.556	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc([N+](=O)[O-])cc1	9059218	JUUMSJWHIMRNDD-UHFFFAOYSA-N	448.848	3.683	5	40	IHBB	
COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1	9209925	WJWDXWPFSSJJII-OYDLWJJNSA-N	439.512	3.910	5	40	IHBB	
O=C1C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2N1	17208833	XFPPICNEKMEORL-CYBMUJFWSA-N	447.238	3.677	5	40	IHBB	
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)CC1	20177260	KAPMXVNLBSIYEF-UHFFFAOYSA-N	425.876	3.909	5	40	IHBB	
CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2	223045739	VCBTUGRZFRVRIQ-NRFANRHFSA-N	445.541	3.507	5	40	IHBB	
Cc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cccc1[N+](=O)[O-]	223265526	JPLDGYVZLNZWRB-UHFFFAOYSA-N	437.477	3.907	5	40	IHBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224646228	YWDBTOXYOSGJBO-INIZCTEOSA-N	447.532	3.909	5	40	IHBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224912147	QCVMWSRCXMUUBO-NRFANRHFSA-N	441.528	3.726	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225082017	GCSLKENQMMZDRC-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
CC1CCC(NS(=O)(=O)c2ccc(N(C)CCc3ccccn3)c([N+](=O)[O-])c2)CC1	9468335	OVGHQMJQDFJPNS-UHFFFAOYSA-N	432.546	3.526	5	40	IHBB	
COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F	11915432	VQWXGQCBFAWIPE-UHFFFAOYSA-N	449.410	3.696	5	40	IHBB	
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1	12173524	VOFFOISKBOEBQH-UHFFFAOYSA-N	430.442	3.701	5	40	IHBB	
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1Cl	33740198	UVQDUQCQSVIQRE-CXUHLZMHSA-N	449.847	3.854	5	40	IHBB	
CCn1cc(Br)c(=O)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1	544412843	UZQDJLLOJKNEFM-UHFFFAOYSA-N	449.286	3.915	5	40	IHBB	
Cc1sc2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n(C)c(=O)c2c1C	9562533	FPWBWZFKRBAWGQ-UHFFFAOYSA-N	438.918	3.904	5	40	IHBB	
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	13758116	KQVZEZIPDVBIAL-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12	43732429	POVXLQDHLRLHHM-JKHABCDFSA-N	446.438	3.505	5	40	IHBB	
CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC	408567796	RISFEVHOJAEPTN-ZFIHGSKBSA-N	437.496	3.539	5	40	IHBB	
O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(Br)c1	1429585	KHUAJUOXAPZHSJ-HNNXBMFYSA-N	429.226	3.689	5	40	IHBB	
CCCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc2c1=O	3286377	IZJSIYPNIIMPIP-ZDUSSCGKSA-N	442.497	3.843	5	40	IHBB	
C[C@H]1CCCN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)C1	55393756	SGYDCJDFKYREQH-IBGZPJMESA-N	442.563	3.723	5	40	IHBB	
O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1	56945733	JPTOEZMJKYFOPY-OAQYLSRUSA-N	438.459	3.620	5	40	IHBB	
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	224940168	BLUAFVKIRAJONR-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	408662614	FWHVDSJJWMNNFH-UHFFFAOYSA-N	443.456	3.593	5	40	IHBB	
O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-]	9390549	CUKCUSXEBAEKME-UHFFFAOYSA-N	443.419	3.638	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)N3CCCc4ccccc43)cc2[N+](=O)[O-])CC1	12653519	LLZFREFVBPEBEF-UHFFFAOYSA-N	437.496	3.967	5	40	IHBB	
COc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1	409205281	GXTCIPWHBYBMLY-VXPUYCOJSA-N	428.426	3.628	5	40	IHBB	
COc1ccc(/C=C2\N=C(S)N(C3CCCCC3)C2=O)cc1Cn1cc([N+](=O)[O-])cn1	2793508	XIDSELGDBUMAMG-ZDLGFXPLSA-N	441.513	3.650	5	40	IHBB	
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cc(Cl)c2c(c1)OCO2	58907905	OTLNNUPOCYVGOE-UHFFFAOYSA-N	445.815	3.918	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222521588	POYGDJZQMNWWQK-INIZCTEOSA-N	429.857	3.571	5	40	IHBB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	223067540	GHDBVTOGHUKKIN-NHCUHLMSSA-N	437.525	3.790	5	40	IHBB	
CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O	409209522	GBRGNJMFEYOQJF-MLPAPPSSSA-N	443.275	3.593	5	40	IHBB	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)ccc1[N+](=O)[O-]	9439775	USRISUWYIQAEQT-GJZGRUSLSA-N	431.514	3.822	5	40	IHBB	
COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12	12345035	WCOSWLWYHQUJMX-UHFFFAOYSA-N	432.889	3.829	5	40	IHBB	
CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12	20638317	IPHGOTITXFZFKG-PMACEKPBSA-N	436.468	3.860	5	40	IHBB	
O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])c(O)c1	35267067	JYEKFFXJIUKYAR-UHFFFAOYSA-N	426.454	3.513	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCCCC1	106756392	LASCYAFTAOLNIK-AUWJEWJLSA-N	444.296	3.950	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc2ccccc12)S(C)(=O)=O	220380044	YLLWLTIKYOGGAF-OAHLLOKOSA-N	427.482	3.850	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1F	408571961	QBPOLNFWVSFUHL-POIRLRRGSA-N	447.466	3.973	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)CCSC2=N1	2502058	QKEQTBMSZNXCMZ-FQEVSTJZSA-N	437.477	3.988	5	40	IHBB	
O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	9283816	ZJROHRKUDAJKTL-UHFFFAOYSA-N	442.321	3.898	5	40	IHBB	
COC(=O)C1=C(COc2ccc([N+](=O)[O-])c(C)c2)N(C2CC2)C(=O)N[C@H]1c1ccccc1	12791085	UYUSSWCWCJZHBC-NRFANRHFSA-N	437.452	3.638	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	15439024	DLYXMWSMBQMUGR-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224745429	DSESFZJIOGNXHP-UHFFFAOYSA-N	428.422	3.667	5	40	IHBB	
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1	225062071	ZFZGFHDDASDBRI-UHFFFAOYSA-N	428.466	3.815	5	40	IHBB	
CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	506725385	HIEUERJWBUDFIL-UHFFFAOYSA-N	427.457	3.573	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	715309	DGLXJNYFVASCGZ-OAQYLSRUSA-N	429.432	3.749	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1	9057972	KJCYNQCDKATCHN-UHFFFAOYSA-N	438.893	3.505	5	40	IHBB	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)no1	32774324	IGGWGHPOKXPLCJ-YDHLFZDLSA-N	430.461	3.558	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1	102761009	LEDCWLZFYZHCKR-ACRUOGEOSA-N	433.395	3.785	5	40	IHBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc21	408536361	YZVVRBJIFFXHDV-FRKPEAEDSA-N	444.856	3.680	5	40	IHBB	
C[C@H](c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	2731378	OKPDDASGVSSKJV-LLVKDONJSA-N	430.881	3.894	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O)N1CCOCC1	9463762	LGUFAAMJPMNQAJ-STZFKDTASA-N	432.501	3.888	5	40	IHBB	
Cc1noc(-c2ccc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1	12522587	WTYSBJQULIHEBB-UHFFFAOYSA-N	435.362	3.814	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1	13787188	UGOQNYOQKXHMQB-FSSWDIPSSA-N	429.432	3.642	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	20571843	OCWYIIUNOJMFHK-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)cc2[N+](=O)[O-])CC1	21595685	FHCVOYVWGMTEAP-UHFFFAOYSA-N	437.544	3.835	5	40	IHBB	
CCc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	57509117	RKWOJVINWNFPNF-QGZVFWFLSA-N	433.512	3.855	5	40	IHBB	
COc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c([N+](=O)[O-])c1	6239654	JEPAKSYIIZGJTR-UHFFFAOYSA-N	446.510	3.511	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCOCC1	9907815	FMECMUPRPIKTRR-UHFFFAOYSA-N	447.875	3.904	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccc(F)cc12	43732331	RZIZXBJOEQRCSX-JLGINSKQSA-N	446.438	3.505	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O	408704335	MGIMIOORAYKWGC-UHFFFAOYSA-N	425.466	3.984	5	40	IHBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1SC1CCCC1	48369184	NZMNNLYTLMUFNQ-UHFFFAOYSA-N	425.466	3.864	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1	223596357	OBXDWHUMKVJMGL-UHFFFAOYSA-N	430.486	3.729	5	40	IHBB	
O=c1c2c3c(sc2nc(Sc2ncccc2[N+](=O)[O-])n1C[C@@H]1CCCO1)CCCC3	9957033	MHRZNSKVTIEGRS-LBPRGKRZSA-N	444.538	3.970	5	40	IHBB	
CCOc1ccc(N2C[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)cc1	10904261	MNGNNZHFXABAKU-OAHLLOKOSA-N	431.876	3.658	5	40	IHBB	
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc(C)cc1[N+](=O)[O-])CCCC2	15981558	NAFFLJUEWRXTGY-UHFFFAOYSA-N	431.470	3.597	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	100997162	IOSCYWBRIHXQPY-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CC(C)n1cc(CCC(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21	604404209	LGXPLCGWFZNXOO-HKUYNNGSSA-N	448.523	3.871	5	40	IHBB	biogenic
Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C1=O	102713459	IOSCYWBRIHXQPY-BHDDXSALSA-N	429.432	3.954	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCCCC1	106769757	MLGJDWITJXUXJY-PDGQHHTCSA-N	441.465	3.904	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12	43732327	LNNFASIGHIHUBR-JLGINSKQSA-N	446.438	3.505	5	40	IHBB	
CC(C)Oc1ccc(C(=O)COC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	12950461	BNXWWIMCNVWEMK-UHFFFAOYSA-N	429.454	3.777	5	40	IHBB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F	25043305	GTUBFDXQIDKQEM-UHFFFAOYSA-N	437.218	3.835	5	40	IHBB	
O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	84393265	YYIYLWZLLXUGJM-UHFFFAOYSA-N	445.903	3.521	5	40	IHBB	
Cc1cccnc1NC(=O)[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	106922171	RZQQKMXCGXQADD-WBVHZDCISA-N	436.472	3.760	5	40	IHBB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	220397589	HOGNSEGFAVGNDR-FXAWDEMLSA-N	447.557	3.942	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	222378588	FFMSIQMKJUUOBN-SFHVURJKSA-N	447.557	3.944	5	40	IHBB	
CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	408640497	IZEDCYYULGNFIJ-QGZVFWFLSA-N	439.468	3.933	5	40	IHBB	
O=C(Nc1ccccc1I)c1cc2cc([N+](=O)[O-])ccc2oc1=O	841643	XOYCIOFVGRJLOS-UHFFFAOYSA-N	436.161	3.558	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1	5711061	SNWATRHXQAAZPX-QGZVFWFLSA-N	425.485	3.789	5	40	IHBB	
O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1	8818271	AZDYOCFTDPZHJH-UHFFFAOYSA-N	435.459	3.703	5	40	IHBB	
O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1	9743880	ORAMETKWTDKNRA-UHFFFAOYSA-N	436.519	3.631	5	40	IHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1	16197274	VNEJGNBQVXNJHG-LBPRGKRZSA-N	428.466	3.654	5	40	IHBB	
COc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccccc4[N+](=O)[O-])CC3)nn2)cc1	23143170	MMCXSVIEGCUKFH-UHFFFAOYSA-N	433.468	3.916	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c1F	79066442	CRACOADUGWUNAA-BETUJISGSA-N	441.456	3.596	5	40	IHBB	
CCc1c(C(=O)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)c(C)[nH]2)cnn1-c1ccccn1	89282493	CECHHONXBIDTGT-UHFFFAOYSA-N	445.483	3.709	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	220396036	RRPANXKMAIWSCC-IAGOWNOFSA-N	433.530	3.552	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	220396968	CAMPKJZCYSGOBV-DLBZAZTESA-N	433.530	3.552	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1	408568093	HPWNXLOKVIVRFF-SBGYWMCSSA-N	429.476	3.834	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(F)cc1	408574058	UNJYRVRIBSIMJK-JSAFGSNCSA-N	447.466	3.973	5	40	IHBB	
C[C@H]1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@H](C)O1	9067079	FMFLTPRZTDLLPY-GJZGRUSLSA-N	430.482	3.539	5	40	IHBB	
CC(C)(C)c1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1	10296608	YNIIUECSXVYQNT-LJQANCHMSA-N	444.455	3.736	5	40	IHBB	
CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12	20638230	RGAYYSIJPFOEBF-WOJBJXKFSA-N	436.468	3.860	5	40	IHBB	
CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1	21545449	QCNKKJDAWFFNQU-UHFFFAOYSA-N	430.442	3.783	5	40	IHBB	
CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408684425	NGLYNGJHGHCLCW-WMZOPIPTSA-N	437.427	3.633	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408690142	ZTYUNLMPOLSLKE-OALUTQOASA-N	439.855	3.757	5	40	IHBB	
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12	14273220	PBQSFIZOPNOPRW-UHFFFAOYSA-N	449.496	3.922	5	40	IHBB	
C[C@@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	26939987	NBIYWIALKXRTFU-DJJJIMSYSA-N	435.461	3.547	5	40	IHBB	
COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC	27573057	MOJJCKRZRFMZLJ-KRWDZBQOSA-N	433.530	3.877	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O	138778782	LTKWRWPYKKKUJT-QZTJIDSGSA-N	441.871	3.981	5	40	IHBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	225524997	VTCNYEHBVXTGSB-DEOSSOPVSA-N	445.519	3.832	5	40	IHBB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1[N+](=O)[O-]	408639967	HQMXAIFEAOSKBN-KRWDZBQOSA-N	439.468	3.708	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1	408976880	STASKZPUQNDEKZ-UHFFFAOYSA-N	439.387	3.591	5	40	IHBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O	409358677	MUJSZLVWNUIXCO-SXGWCWSVSA-N	447.856	3.932	5	40	IHBB	
COc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	836546	TZNDHJGYGRIMAG-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cc2ccccc2o1	9426154	RVLKWLHLBKWDEW-UHFFFAOYSA-N	444.900	3.831	5	40	IHBB	
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1	10210313	KQQWSINBBGTPNO-AWEZNQCLSA-N	426.425	3.600	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12	20573531	POVXLQDHLRLHHM-NYQDVAGCSA-N	446.438	3.505	5	40	IHBB	
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	95681994	MCYSNSDAEXVLRT-UHFFFAOYSA-N	434.320	3.875	5	40	IHBB	
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	95909133	JPFAGBAZQUWDQJ-FHWLQOOXSA-N	429.860	3.895	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1	408639435	WVPSHSBQCZVLNH-UHFFFAOYSA-N	449.876	3.781	5	40	IHBB	
C[C@H](Sc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)C(=O)N1CCOCC1	21263771	QFGLUVPSGFPHSG-INIZCTEOSA-N	438.509	3.787	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc2ccccc12)S(C)(=O)=O	220379972	YLLWLTIKYOGGAF-HNNXBMFYSA-N	427.482	3.850	5	40	IHBB	
Cc1ccc2nc3nc(NC4CCCCC4)c(C(=O)NCc4cccnc4)cc3c(=O)n2c1	13568356	OXFOYEGEJWAHQZ-UHFFFAOYSA-N	442.523	3.621	5	40	IHBB	
O=C(COc1coc(CN2CCCc3ccccc32)cc1=O)Nc1cccc([N+](=O)[O-])c1	9716500	KHSQQRWUAZHYMR-UHFFFAOYSA-N	435.436	3.518	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1	19928330	SFLDSODSLYSOGZ-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12	20638310	IPHGOTITXFZFKG-VQTJNVASSA-N	436.468	3.860	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O	408685951	QOWKBQXYHXMCBH-UHFFFAOYSA-N	436.251	3.998	5	40	IHBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1=CCCCC1	409025738	ZWZUNRGNVUJQBX-UHFFFAOYSA-N	443.525	3.797	5	40	IHBB	
O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)OCc1ccccc1	8435364	ZHYYNFHWOZODAU-QGZVFWFLSA-N	426.454	3.528	5	40	IHBB	
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2=O)cc1	9715672	NRCYNFQFLCSFHR-HSZRJFAPSA-N	439.468	3.726	5	40	IHBB	
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCN(C)C)C3=O	10233146	JOQUOMOKUYBJEZ-OAQYLSRUSA-N	435.480	3.815	5	40	IHBB	
CCCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57613768	OKKZBTWSGUUVFP-JOCHJYFZSA-N	435.532	3.683	5	40	IHBB	
CCn1ccnc1CN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1C	78797328	PNZPFTSDERJYOE-SFHVURJKSA-N	433.512	3.753	5	40	IHBB	
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2)n1	8690612	IQIDRHASTQYTKD-UHFFFAOYSA-N	428.832	3.846	5	40	IHBB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1	9422272	XBTQCMKPINVVRF-UHFFFAOYSA-N	434.880	3.788	5	40	IHBB	
CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	20412547	QDOMFRIYLSOPKG-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1	21571364	KRZXYGBZZFNXLA-UHFFFAOYSA-N	430.442	3.701	5	40	IHBB	
COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]	24990976	HHKVTDQVEWZUQY-UHFFFAOYSA-N	429.212	3.714	5	40	IHBB	
CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224034812	RVWMAEBULAEOKK-NRFANRHFSA-N	425.529	3.904	5	40	IHBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902491	MNZHXRIVQQQCSC-QHHAFSJGSA-N	432.820	3.645	5	40	IHBB	
Cc1cc2oc(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3NCCO)c2cc1C(C)C	9130709	RFDQAEPVOHBNMJ-UHFFFAOYSA-N	440.452	3.894	5	40	IHBB	
CCNc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]	9373388	SHQPAONRHCJFOE-UHFFFAOYSA-N	446.769	3.889	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12916444	RVUMGYYZYOIYBF-GOSISDBHSA-N	437.905	3.739	5	40	IHBB	
CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1	14318153	LVTPUJIFDNADLG-QGZVFWFLSA-N	439.921	3.832	5	40	IHBB	
CCOc1c(O)ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-]	2744401	OHVQIOCIJLSKJN-QGZVFWFLSA-N	427.442	3.776	5	40	IHBB	
O=[N+]([O-])c1cc2c(c(CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)c1)OCOC2	3405922	IMUCWDYRXNQCKT-UHFFFAOYSA-N	444.440	3.996	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1[N+](=O)[O-]	8948559	XZCQSLJZQYNVDV-HSZRJFAPSA-N	438.484	3.606	5	40	IHBB	
O=C(c1cccs1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9111597	DTNZONMKJPDEDC-UHFFFAOYSA-N	430.364	3.546	5	40	IHBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1ccc([N+](=O)[O-])cc1	9465227	PHYOTRJTRDQYMP-KRWDZBQOSA-N	435.820	3.654	5	40	IHBB	
COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	14269437	CXYQKIKHXVLPOV-UHFFFAOYSA-N	441.421	3.688	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@@H]3C2=O)cc1	100831202	NAITYWUJYVPUTD-IRLDBZIGSA-N	426.432	3.686	5	40	IHBB	
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl	224938964	KVXQZKQALHABKC-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	260920116	FOQCTLYXVFVKHM-SJORKVTESA-N	433.530	3.552	5	40	IHBB	
COCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21	2240692	FTLWYCFPQWFHEY-UHFFFAOYSA-N	433.899	3.951	5	40	IHBB	
Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3C[C@H]2CCCO2)cc1	2256622	KASUJASNQXAQSK-GOSISDBHSA-N	425.492	3.830	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1	8921166	CMCJUFFUQMCGIU-MWWKQMNYSA-N	428.470	3.941	5	40	IHBB	
O=C(NCc1cccc(NC(=O)c2ccco2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	25150788	LICPPYKEDYTDJZ-UHFFFAOYSA-N	431.408	3.556	5	40	IHBB	
O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1	103586162	WYBHGXSQTYKGNI-MFRYECHYSA-N	438.411	3.531	5	40	IHBB	
C[N+]1(C)[C@@H]2CC(OC(=O)[C@@H](COC(=O)CCC3CCCC3)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12	104109714	PVUBNLODEIWNLX-FSHOYSFVSA-N	442.576	3.584	5	40	IHBB	
Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	2357234	UEWOWSJSZZSLCV-UHFFFAOYSA-N	443.463	3.706	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1ccc2c(c1)OCCCO2	9576411	PDLIISVEXXDINS-UHFFFAOYSA-N	436.511	3.692	5	40	IHBB	
Nc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-]	9636252	QQRFPWZIWLKBPK-UHFFFAOYSA-N	433.464	3.605	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ccc(Cn2cccn2)cc1	12522995	JGMBIDPPZQHHIS-UHFFFAOYSA-N	440.403	3.745	5	40	IHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14269586	XRJZTBVUUDZPRE-UHFFFAOYSA-N	447.448	3.759	5	40	IHBB	
CCOc1cc(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c([N+](=O)[O-])cc1OC	32832128	MJCZTSROUJLFOI-UHFFFAOYSA-N	427.457	3.799	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)c1ccc(Cl)cc1	409354385	DOKZHUBIFIYPNZ-FMQZQXMHSA-N	446.824	3.896	5	40	IHBB	
CCOc1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c(=O)c4ccccc4nc32)cc1	3270875	BOYVKFOVBGSCQE-UHFFFAOYSA-N	428.448	3.819	5	40	IHBB	
O=C(COc1coc(CN2CCCc3ccccc32)cc1=O)Nc1ccc([N+](=O)[O-])cc1	9716508	ITDWEJWMANLALR-UHFFFAOYSA-N	435.436	3.518	5	40	IHBB	
C[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12951209	CEMDWHRMETWFOW-UZLBHIALSA-N	443.459	3.680	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(F)cc12	13592688	VRQIOTWNTSFMEU-NIJIEXERSA-N	435.411	3.703	5	40	IHBB	
CC[C@H](C)N1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	16042112	LAUHQKWVWDBCBB-JOGUKUGOSA-N	432.480	3.560	5	40	IHBB	biogenic
O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20142673	UTKRJRRYNLWNPP-UHFFFAOYSA-N	440.239	3.689	5	40	IHBB	
O=C(CSc1ccsc1[N+](=O)[O-])Nc1cc2c(cc1Br)OCCO2	40116128	ALUVEYVBZMEQGX-UHFFFAOYSA-N	431.289	3.921	5	40	IHBB	
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	409000385	WCALBJLZTRMOME-YWZLYKJASA-N	428.441	3.662	5	40	IHBB	
Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nc21	8809780	ZBVWPGMHOSEMOT-UHFFFAOYSA-N	428.861	3.809	5	40	IHBB	
Cc1ccc(C(=O)O)cc1Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	12624453	MKWHZGOFOLDQGA-CYBMUJFWSA-N	433.486	3.766	5	40	IHBB	
CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	17096187	SCEHVNNYUNVXAK-VMPITWQZSA-N	428.876	3.569	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	18068841	LEDCWLZFYZHCKR-QHAWAJNXSA-N	433.395	3.785	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	409265314	SDHVNTKVZATTDI-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	6474831	VJJKOUMJYAKNCZ-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	9454788	GHOVMVSZIPSWNX-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1cccc2ccccc12)N1CCCC1	10335669	GKNIJYWTSZEZCI-NRFANRHFSA-N	425.510	3.863	5	40	IHBB	
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	12017475	JPFAGBAZQUWDQJ-QYZOEREBSA-N	429.860	3.895	5	40	IHBB	
COc1c(Cl)cc(Cl)cc1/C=c1\sc2nc3nc4ccccc4c3nn2c1=O	13512194	VXFOTJNQLWZXIW-AUWJEWJLSA-N	429.288	3.716	5	40	IHBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	409067977	RYOUDYPXBONGSW-FHXOWUIVSA-N	442.449	3.772	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc([N+](=O)[O-])cc1	2072177	RRLZXLBWINHHMT-UHFFFAOYSA-N	442.457	3.821	5	40	IHBB	
CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccc(OC)cc1	2333255	PKYIBIKJGACCMG-UHFFFAOYSA-N	443.507	3.891	5	40	IHBB	
Cc1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cccc1[N+](=O)[O-]	8946981	HPSMWRFINIJNLV-QHCPKHFHSA-N	438.484	3.606	5	40	IHBB	
CN(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1F	13149446	YWXIIOAOBNOKIS-UHFFFAOYSA-N	430.413	3.778	5	40	IHBB	
COc1ccc(N2O[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1	13563613	FZKPBSNVJMQEFD-BHIFYINESA-N	445.431	3.655	5	40	IHBB	
CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1[N+](=O)[O-]	20610016	KSZJSIBUIJFKCN-UHFFFAOYSA-N	433.424	3.988	5	40	IHBB	
O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	408603189	BHPMUHCKFGVSIA-LJQANCHMSA-N	431.876	3.612	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1[N+](=O)[O-]	408672173	ZSPJIWQEQARYBY-PEYKTXOXSA-N	436.464	3.930	5	40	IHBB	
O=C(Cn1c(=O)c2nnc(-c3ccccc3)n2c2cc([N+](=O)[O-])ccc21)c1ccccc1	688106	FCIPEFVVUMRUFG-UHFFFAOYSA-N	425.404	3.502	5	40	IHBB	
Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)ccc1[N+](=O)[O-]	1313605	QDQUJUKNPHFYMX-UHFFFAOYSA-N	434.452	3.711	5	40	IHBB	
CN(CCO)CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12	9087042	YCBVFMKGIBKARI-UHFFFAOYSA-N	443.503	3.667	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	15437573	PFMITEGFQSALDR-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1NC[C@H]1CCCO1	23743943	DPDBALVSLIUWLD-GFCCVEGCSA-N	443.428	3.588	5	40	IHBB	
O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	409052019	HRLSPNVWOOKMQP-UHFFFAOYSA-N	432.274	3.848	5	40	IHBB	
O=[N+]([O-])c1ccc(Oc2cccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)c2)c([N+](=O)[O-])c1	409340055	PRLXIPGREWSDDQ-DAXSKMNVSA-N	441.312	3.575	5	40	IHBB	
CCc1nn(C)cc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1	540367211	UOAAIBXQLOBZNQ-UHFFFAOYSA-N	431.499	3.681	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])c1	8948568	OUDHYFCWFVBEDL-HSZRJFAPSA-N	438.484	3.606	5	40	IHBB	
CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c1	15166397	HMQAPTAPNUNXER-CQSZACIVSA-N	433.486	3.766	5	40	IHBB	
COc1ccccc1OCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])o1	19928499	MACNSCSHYRSMTB-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
COc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-]	22182925	UMFHZGXXICCPDW-UHFFFAOYSA-N	438.509	3.685	5	40	IHBB	
CSc1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1-c1ccc(F)cc1	22623520	YWKRHTXBMZZMKF-UHFFFAOYSA-N	441.488	3.604	5	40	IHBB	
CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@H](c2cccc([N+](=O)[O-])c2)O1	24543602	MNYWFOZRZXJSCO-SFHVURJKSA-N	448.229	3.522	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C	32517118	ZIQWMWCFWMOVFV-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12	43732518	HBIYUJWQOMLMIR-JLGINSKQSA-N	446.438	3.505	5	40	IHBB	
COCCCN1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O	408997493	GVBZHORLEGIOIW-UHFFFAOYSA-N	434.404	3.746	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1nnc(C)s1)C3=O	1868837	WEFCVNNWMABYOU-KRWDZBQOSA-N	434.433	3.919	5	40	IHBB	
O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9335189	UKERIUZYXLJKFC-FPYGCLRLSA-N	439.302	3.717	5	40	IHBB	
Cc1ccc(Oc2cc(NC(=O)CCCn3cnc([N+](=O)[O-])n3)cc([N+](=O)[O-])c2)cc1	12845979	SVSJSDRVXGVXRL-UHFFFAOYSA-N	426.389	3.614	5	40	IHBB	
COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	16194088	HBDWHQZSZAFGOD-XVNBXDOJSA-N	445.859	3.523	5	40	IHBB	
C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	220415644	YQWMKULGIUDNRK-HZPDHXFCSA-N	447.557	3.924	5	40	IHBB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cccc(NC(C)=O)c1	408638562	RXFWLZAAMNPHON-UHFFFAOYSA-N	428.430	3.891	5	40	IHBB	
COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	836515	PHSZHHDZAOROSD-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
COCCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O	2229735	XMRLPULEEXUBPZ-UHFFFAOYSA-N	441.281	3.969	5	40	IHBB	
O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)N1N=CC[C@@]1(O)C(F)(F)F	13960358	GCYIXDYKERKIFM-OAHLLOKOSA-N	433.726	3.503	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17096438	VUFIYELBLMXULB-UHFFFAOYSA-N	429.458	3.538	5	40	IHBB	
Cc1occc1-c1nn(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(=S)n1C	24766076	MPSXFFOYEHVKIV-UHFFFAOYSA-N	448.936	3.861	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260507864	OUWJFYDMEGYSOU-XLIONFOSSA-N	447.557	3.942	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(C)s1)C3=O	1876937	GDXGDMGOEMTSDD-KRWDZBQOSA-N	434.433	3.919	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1	8790476	AGLICDOOGDOYDC-UHFFFAOYSA-N	448.526	3.796	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1	8921160	CMCJUFFUQMCGIU-WLMCBFPDSA-N	428.470	3.941	5	40	IHBB	
O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCCc2ccccc21	25036749	PDGWNKICTPKUIG-FQEVSTJZSA-N	437.496	3.548	5	40	IHBB	
COc1cc(C(=O)OCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])cc1OC(F)F	29941037	DITMFRLTJHYCJK-UHFFFAOYSA-N	427.747	3.863	5	40	IHBB	
CCN1CCC[C@H](Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1	48325715	GRZWTUNWXKBIEY-KRWDZBQOSA-N	432.546	3.706	5	40	IHBB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1	409151913	CPWXVYTYPKLHJC-CXUHLZMHSA-N	429.479	3.992	5	40	IHBB	
Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	14224036	KXWXQGKGCNMWOT-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1	222532554	LYOBYUDIBRSLNR-UHFFFAOYSA-N	441.465	3.681	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1	16310640	KHIHOZBCOXWYSJ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CC(OCC(F)F)C1	95409159	UVORTVUBLSYHBY-UHFFFAOYSA-N	447.847	3.519	5	40	IHBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	224880273	YQJAXLLMGGSXFM-NRFANRHFSA-N	441.528	3.726	5	40	IHBB	
CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	408640496	IZEDCYYULGNFIJ-KRWDZBQOSA-N	439.468	3.933	5	40	IHBB	
CC(C)(C)c1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1	10296614	YNIIUECSXVYQNT-IBGZPJMESA-N	444.455	3.736	5	40	IHBB	
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	2222167	MSAXMUMEBSYOSF-UHFFFAOYSA-N	430.420	3.770	5	40	IHBB	
O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	408611589	UCMHMTGRBHKOOL-SFHVURJKSA-N	449.866	3.751	5	40	IHBB	
COC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	226334781	OHLHZOOXUQTNMG-WEVVVXLNSA-N	439.205	3.965	5	40	IHBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCCC1	8743589	RKMYFNRTXRSITN-ZJSXRUAMSA-N	444.491	3.704	5	40	IHBB	biogenic
O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1	8818424	WZRWFZGHAWYLQW-KRWDZBQOSA-N	444.919	3.802	5	40	IHBB	
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	13424180	CISVFRMPKOWSHC-UHFFFAOYSA-N	432.893	3.720	5	40	IHBB	
CCCCCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	16637757	MJKXKVAQSDPONE-UHFFFAOYSA-N	432.468	3.717	5	40	IHBB	
CCOc1cc(/C=C2\SC(=O)N(CCOC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409212599	QVUBFCCUVQMHBU-BOPFTXTBSA-N	445.453	3.864	5	40	IHBB	
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	9275194	KQWBLJOKNJDAGC-UHFFFAOYSA-N	434.162	3.568	5	40	IHBB	
CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCc1cccc([N+](=O)[O-])c1	9761876	FJVMTXBZVXXPON-UHFFFAOYSA-N	429.816	3.550	5	40	IHBB	
Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2n1	13229181	SWWIFZYXIHTFIJ-SNVBAGLBSA-N	426.433	3.753	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2	14137231	QDQCYIAZHSSVJE-UHFFFAOYSA-N	428.392	3.632	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	14831564	IPIANWQLUFALML-MDWZMJQESA-N	429.498	3.811	5	40	IHBB	
CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC	16051165	ROOJQOCZTOXJFQ-ZDUSSCGKSA-N	432.429	3.585	5	40	IHBB	
CCN(CC)C(=O)Nc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	84770987	ADSKJLXOZDAQRQ-HNNXBMFYSA-N	434.518	3.816	5	40	IHBB	
COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC	408620965	NEACYTRDWFNSER-UHFFFAOYSA-N	442.209	3.777	5	40	IHBB	
COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc(Br)cc1)[N+](C)(C)CC3)OCO2	1839098	MNEMBLITWSCIAC-SJORKVTESA-N	435.338	3.984	5	40	IHBB	biogenic
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c(F)c1F	17101705	RFXSHPXOYGOPDB-UHFFFAOYSA-N	437.758	3.940	5	40	IHBB	
O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1	89780791	GHYQAZXIUDKQIS-UHFFFAOYSA-N	436.434	3.556	5	40	IHBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	101155889	MOSFIMPGJSYNDM-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1cccc([N+](=O)[O-])c1	408653472	PXFOHTRRHIBAMI-LBPRGKRZSA-N	437.235	3.681	5	40	IHBB	
CCc1ccc(Nc2nnc(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	3360324	MFNPJRVPJJYOBV-UHFFFAOYSA-N	443.510	3.801	5	40	IHBB	
O=c1[nH]c(/C=C/c2cc(Br)ccc2OCc2ccccc2)nc(O)c1[N+](=O)[O-]	9295544	AYZALVJXUCNBQI-RMKNXTFCSA-N	444.241	3.896	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1F	107932964	HUDFUCIQLMODBI-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223869575	ARNVBVBNMRLKMW-MRXNPFEDSA-N	427.476	3.753	5	40	IHBB	
Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	408675579	JEHAHJQAEXHLEI-UHFFFAOYSA-N	441.465	3.722	5	40	IHBB	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	9510243	ZDLVYLLGTRGWNY-UHFFFAOYSA-N	442.859	3.905	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	20571201	XPEKTAOSWTVBHM-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1OCc1ccc([N+](=O)[O-])cc1	56949864	FGZKAYWVIXMBHO-UHFFFAOYSA-N	439.443	3.588	5	40	IHBB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1C(=O)c1ccccc1	57364218	PKOPDWLLFJPHBE-UHFFFAOYSA-N	444.491	3.587	5	40	IHBB	
Cc1ccnc([C@@H](Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])C2CC2)n1	89701898	BAXWJHJKKPZEDA-XOBRGWDASA-N	445.545	3.677	5	40	IHBB	
Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1	409179464	OPAURZTYVHGHTO-UHFFFAOYSA-N	441.421	3.897	5	40	IHBB	
COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cc1OC	3355219	RMTBYMCGHJDKQL-UHFFFAOYSA-N	431.426	3.821	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1	15439221	GJTQRLGGWUUBCK-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222363372	VHCKTDPCKQKMIJ-UHFFFAOYSA-N	433.530	3.905	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409179730	UNPAUEHELNDTLY-UHFFFAOYSA-N	427.394	3.588	5	40	IHBB	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	1438634	WWWKTCVDZFZVIP-OAQYLSRUSA-N	448.435	3.524	5	40	IHBB	
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1	17101089	IQLMVGNQOCKIAY-UHFFFAOYSA-N	437.283	3.822	5	40	IHBB	
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1	20611269	MOYDLBPPUYQEMY-UHFFFAOYSA-N	433.424	3.907	5	40	IHBB	
C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57218106	UVCQMJKVDZARKS-SFHVURJKSA-N	439.537	3.732	5	40	IHBB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	9446124	ZEYSUUPNMUKHJY-UHFFFAOYSA-N	435.502	3.666	5	40	IHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(CN2CCCC2=O)c1	30127718	WMCQFFJGMMASRW-UHFFFAOYSA-N	425.488	3.916	5	40	IHBB	
Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cccc1[N+](=O)[O-]	57327947	BPDUZBRCKGHUER-UHFFFAOYSA-N	447.476	3.911	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1	408665037	SEOREBXJBCJGCO-UHFFFAOYSA-N	439.346	3.514	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Br	9369957	GELQXPCHVGBPDW-UHFFFAOYSA-N	448.302	3.884	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])c1	24707010	PKLGESZNFAWVGZ-UHFFFAOYSA-N	431.470	3.859	5	40	IHBB	
CN(c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1	78968165	LJWLOZTWGBJWLR-FQEVSTJZSA-N	447.557	3.719	5	40	IHBB	
O=[N+]([O-])c1ccc(Oc2ccccc2/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c([N+](=O)[O-])c1	409351177	ZXVCOTDEPUNOLL-YVMONPNESA-N	441.312	3.575	5	40	IHBB	
COc1cccc([C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])N(C)C)c1	9463061	WSAARFFRRVDVEA-QGZVFWFLSA-N	447.435	3.612	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	16574942	IITWYNXQFLNIRU-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
Cc1ccc(NC(=O)CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-]	58166301	WYGMQBILACBFOW-INIZCTEOSA-N	439.447	3.910	5	40	IHBB	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1	104168938	PYLYZXBDFSKPBD-UHFFFAOYSA-N	437.433	3.872	5	40	IHBB	
CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	223292350	DHCQDKBWABVIEA-SFTDATJTSA-N	437.525	3.784	5	40	IHBB	
CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1	224884977	VZJMBFLSDMEZES-UHFFFAOYSA-N	445.291	3.590	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)CCSC2=N1	2502057	QKEQTBMSZNXCMZ-HXUWFJFHSA-N	437.477	3.988	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)N(C)Cc3ccccc3)cc2[N+](=O)[O-])CC1	4871843	LEZNGPUEAJUGGX-UHFFFAOYSA-N	425.485	3.647	5	40	IHBB	
O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc([N+](=O)[O-])cc1	9415626	VGZHNHRSMJIDKX-UHFFFAOYSA-N	440.506	3.520	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1	14398716	JHACSAFGVYLZBS-UHFFFAOYSA-N	439.493	3.677	5	40	IHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1OC	18969407	JBJIYZIPBQLNMB-UHFFFAOYSA-N	439.420	3.954	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1	19928016	XWXKOTXOIHRIKO-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)cc2[N+](=O)[O-])C1	31500337	HAZQOZPPBDFGEG-QFBILLFUSA-N	434.500	3.851	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57611552	LSYKSQLCFSYSCD-AWEZNQCLSA-N	441.438	3.570	5	40	IHBB	
COc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)o2)c([N+](=O)[O-])c1	72193667	DAOAHAJHBLDDSJ-UHFFFAOYSA-N	427.438	3.765	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	95941518	KYACIPSXTGWREM-UHFFFAOYSA-N	442.907	3.584	5	40	IHBB	
Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	101114866	NMDCUQHAPVTSMT-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(F)c1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1	103622469	ITTYFZLFRMYERU-FPOVZHCZSA-N	430.395	3.516	5	40	IHBB	
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	408571786	PNBOSOPJISWGPT-GOSISDBHSA-N	429.458	3.993	5	40	IHBB	
COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	408646498	OWTXCYKOXFJITO-UHFFFAOYSA-N	449.847	3.548	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21	604405557	QDQJBHNRFUPYAW-MZFHRINRSA-N	434.540	3.971	5	40	IHBB	biogenic
COC(=O)[C@@H]1[C@H](c2cc(Cl)cc(Cl)c2OC)C([N+](=O)[O-])=C2CCCCN2[C@@]1(C)O	4065769	RXVZXHIEEBHUIS-DOXZYTNZSA-N	445.299	3.571	5	40	IHBB	
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1	6599982	RJYBWBNJNJTITE-UHFFFAOYSA-N	428.426	3.552	5	40	IHBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224646194	YWDBTOXYOSGJBO-MRXNPFEDSA-N	447.532	3.909	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1	2629765	BZVWSMZQRYVYRN-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C	9509975	QWDMSEBUTUXPHJ-UHFFFAOYSA-N	429.473	3.790	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1	9708255	RSPWEANNLLPOOZ-LJQANCHMSA-N	429.523	3.739	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	14273423	RJONTITUGKWYDG-RMKNXTFCSA-N	442.903	3.959	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1Cc1ccccc1	102766138	VUKMGDAVKDJOAH-YPAWHYETSA-N	429.432	3.642	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223595313	GVBVXVDHADGAHG-QGZVFWFLSA-N	429.542	3.690	5	40	IHBB	
CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCC	225770653	LXQHQVYNIPOMKG-UHFFFAOYSA-N	442.468	3.857	5	40	IHBB	
Cc1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)c2ccccc2F)cc1	825813	GIEKMPGTTBQOBQ-UHFFFAOYSA-N	433.395	3.943	5	40	IHBB	
COc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c([N+](=O)[O-])cc1OC	9367677	SJGBFCKUYBYUNR-UHFFFAOYSA-N	426.454	3.797	5	40	IHBB	
CCOC(=O)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccc(F)cc2)c1C	13004030	ZJFXGHMPSFOODB-HXUWFJFHSA-N	440.431	3.571	5	40	IHBB	
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1[N+](=O)[O-]	13940126	MFJRNCFXAIVDGI-VWLOTQADSA-N	446.459	3.919	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	222506996	OUZVUXGQVKDGKL-MRXNPFEDSA-N	443.884	3.879	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	409181310	ATRXMFOSLNMFDB-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@]2(C1)C(=O)Nc1ccccc12	672976201	GXZAYAGMGVCCBV-RUZDIDTESA-N	445.425	3.696	5	40	IHBB	
COc1cc([C@H](C)OC(=O)c2ccc(C=O)cc2)c([N+](=O)[O-])cc1OCCCC(=O)O	1903936810	JEWOVFKXRCWUID-ZDUSSCGKSA-N	431.397	3.578	5	40	IHBB	
CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(F)cc2)c1C	12910410	HCBXPSBROXUYLG-HXUWFJFHSA-N	440.431	3.571	5	40	IHBB	
CN(C)C(=O)[C@@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1ccccc1	5277643	JDIIENKITKQALX-NRFANRHFSA-N	425.485	3.962	5	40	IHBB	
CN(C)c1cc(Nc2ccc(I)cc2)c([N+](=O)[O-])c2nonc12	8997149	ORYBDSTVITXLOM-UHFFFAOYSA-N	425.186	3.545	5	40	IHBB	
CC(C)NS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1	9219627	GTPOMMWWPFVBRB-UHFFFAOYSA-N	443.529	3.542	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1	9714673	FQLLUWGEMAQWLB-UHFFFAOYSA-N	439.497	3.843	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1	22392852	VUHYMJBDRAAHDX-UHFFFAOYSA-N	449.485	3.938	5	40	IHBB	
Cc1c(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220197564	AAMGLTAJRUCGKD-GFCCVEGCSA-N	445.419	3.715	5	40	IHBB	
Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	878056	DKFOSPNMGRPGNO-UHFFFAOYSA-N	432.465	3.764	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1	8778334	PWPKSYLGQWGDKK-HNNXBMFYSA-N	441.465	3.557	5	40	IHBB	
O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1	38212415	JVQRPQJMQQUATO-UHFFFAOYSA-N	433.427	3.946	5	40	IHBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224633177	SOPZHQNWMHEUSW-KRWDZBQOSA-N	429.542	3.772	5	40	IHBB	
CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1	3511253	BPRXQACKOAUQKI-UHFFFAOYSA-N	437.473	3.554	5	40	IHBB	
O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1	9008991	MARBNQYSMBNFIJ-DHZHZOJOSA-N	443.507	3.964	5	40	IHBB	
O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(C(F)(F)F)cc3)n2)c1	15674869	XAOYXIYDMPJARW-SJORKVTESA-N	434.374	3.972	5	40	IHBB	biogenic,in-vitro
C[C@@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)Nc1ccccc1[N+](=O)[O-]	17258429	KDLZGKYUYRZMAH-GFCCVEGCSA-N	434.832	3.522	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1	12734572	FEYFAEWSUZTHCU-UHFFFAOYSA-N	431.449	3.520	5	40	IHBB	
Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)cc1	12776770	ZEPQVHAWQCAZJS-ZBFHGGJFSA-N	436.424	3.611	5	40	IHBB	
O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2N1	17208830	XFPPICNEKMEORL-ZDUSSCGKSA-N	447.238	3.677	5	40	IHBB	
CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	27373321	AVKPDODUWHDKSE-UWHLTILDSA-N	445.475	3.725	5	40	IHBB	
CCOC(=O)C1=C(COc2ccc([N+](=O)[O-])cc2)N(CC)C(=O)N[C@H]1c1ccccc1	28632001	HIVATAZMZDMLPI-FQEVSTJZSA-N	425.441	3.577	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(Cl)c(Cl)c1	33793927	YNWXLNVCOYLVHU-UHFFFAOYSA-N	432.285	3.666	5	40	IHBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCCC1	8743588	RKMYFNRTXRSITN-QPPBQGQZSA-N	444.491	3.704	5	40	IHBB	biogenic
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2cc(Br)ccc21	8920456	QOPDTVSZLGSRII-HXUWFJFHSA-N	447.285	3.965	5	40	IHBB	
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1=O	9512369	GXJYUKQFVSHMPE-QFIPXVFZSA-N	427.432	3.863	5	40	IHBB	
O=C(c1ccc(F)cc1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9720940	ZDXZUXVTTWGRFH-UHFFFAOYSA-N	442.325	3.623	5	40	IHBB	
O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccc(I)o1	16385750	KLKFJKNQMFJMPJ-IZZDOVSWSA-N	444.568	3.790	5	40	IHBB	
COC(=O)c1ccc(OCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c([N+](=O)[O-])c1	24938067	OAIXQCBTTLOGSU-UHFFFAOYSA-N	438.440	3.510	5	40	IHBB	
CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCC1	26115212	IETWTCGSFPWDDS-UHFFFAOYSA-N	435.527	3.662	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	409178224	LFVSBPIVBKGENF-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
CCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21	9513215	YLYSKZOANXECMA-UHFFFAOYSA-N	427.276	3.507	5	40	IHBB	
COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12	12345062	OVCPXGRAKKUFAW-UHFFFAOYSA-N	438.918	3.890	5	40	IHBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCSc1ccc(Cl)cc1	18205745	BLRQPEMDQALBNY-UHFFFAOYSA-N	435.889	3.845	5	40	IHBB	
CN(C)c1ccc(-c2cncc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2)cc1	83854305	SBVZPDXHLIUGAH-UHFFFAOYSA-N	431.496	3.685	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O	220390061	PZJSSAQSOQJEQV-LBPRGKRZSA-N	445.419	3.715	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl	408566640	FVIPMHIROKKPDH-KZWRENGVSA-N	436.295	3.960	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409175758	BXXLEJOJIWOFKR-UHFFFAOYSA-N	442.405	3.693	5	40	IHBB	
COc1ccc(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	8687221	CGOVAKXLSBYDFO-NSHDSACASA-N	426.347	3.849	5	40	IHBB	
CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	10337784	LYOGGOOENXITJT-UHFFFAOYSA-N	443.456	3.952	5	40	IHBB	
COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224786987	AOORIJYXJRLZFS-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1	1062313	DIRRWUSLDBXNFR-ZQFKLAOWSA-N	440.455	3.870	5	40	IHBB	
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1	59363467	FIMIQWHQXTVXAG-ZDUSSCGKSA-N	448.405	3.942	5	40	IHBB	
O=C(c1cc(N2CCN(Cc3cccc4cccnc34)CC2)ccc1[N+](=O)[O-])N1CCCC1	59734026	FIPWBUFPHPMUEB-UHFFFAOYSA-N	445.523	3.701	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225011311	REITVIIUGLRQHP-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408566364	NRRFMMNDTYKTEA-PBXXJUDPSA-N	447.466	3.927	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1	409369296	APTHGPLRBHWGOE-HGBDCSHLSA-N	449.488	3.772	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1	1370667	VWQRFVYOIJZIDO-UHFFFAOYSA-N	446.492	3.624	5	40	IHBB	
Cc1cc(=O)oc2cc(OC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc12	8824286	KXBXGAVFGXAYSW-UHFFFAOYSA-N	438.421	3.509	5	40	IHBB	
CC1CCN(c2ccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])CC1	18005169	MXJLZJFLAXKIPW-GOSISDBHSA-N	425.485	3.743	5	40	IHBB	
Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-]	62582503	FKFURDGMBFMCTL-NRFANRHFSA-N	436.493	3.858	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1	224041823	CXUBKSIRAIKQTQ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408676200	AKXUOMWMKJEZJK-ROUUACIJSA-N	439.855	3.757	5	40	IHBB	
CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	1146769	NGONPZWZGBNWOU-WQRHYEAKSA-N	442.449	3.773	5	40	IHBB	
COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)c1	2254991	ZFYAVLXVDQMQCU-UHFFFAOYSA-N	429.480	3.957	5	40	IHBB	
Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)sc2nc3n(c(=O)c12)CCC3	12995632	HTRRMDBOVGANIT-UHFFFAOYSA-N	432.889	3.546	5	40	IHBB	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncc([N+](=O)[O-])c(NC2CC2)n1	26703236	HKZWNCVNBKQDQD-UHFFFAOYSA-N	444.801	3.706	5	40	IHBB	
Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	408609927	PLAZGOSDUCHHOW-IBGZPJMESA-N	445.903	3.921	5	40	IHBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCCC1	2092396	RKMYFNRTXRSITN-URXFXBBRSA-N	444.491	3.704	5	40	IHBB	biogenic
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1	8691441	QQBYRVNMFSFQIA-HNNXBMFYSA-N	443.308	3.731	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1	12560686	FNSQNYMQOKETBX-UHFFFAOYSA-N	426.376	3.909	5	40	IHBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC	13003527	UKMYLJGIMGLCBO-KWJFTMPMSA-N	432.517	3.963	5	40	IHBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1	15592534	HMLPWFXKMSCAMZ-OKILXGFUSA-N	435.477	3.653	5	40	IHBB	
CCOc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2N2CCOCC2)cc1	22763105	MVQDCDQVWAEAHO-DQRAZIAOSA-N	426.498	3.724	5	40	IHBB	
CC(C)CN(C[C@@H](O)c1ccc(F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	84544213	WRWNRIYHRSSFNE-GOSISDBHSA-N	446.447	3.926	5	40	IHBB	
Cc1cc(NC(=O)CSCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)no1	3424074	WYMVKLWOTSTZRS-UHFFFAOYSA-N	438.461	3.658	5	40	IHBB	
COC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792270	NPVAXRKQRKGLEE-GFCCVEGCSA-N	432.432	3.549	5	40	IHBB	biogenic
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ncc(-c2ccccc2)o1	9244753	DJLSPJNOSTYWOB-UHFFFAOYSA-N	429.454	3.613	5	40	IHBB	
CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	10010401	FTZWZBQTVSKVSH-UHFFFAOYSA-N	446.891	3.568	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c2ncccc12	17096811	XLBLLDZSZSFVDP-UHFFFAOYSA-N	430.424	3.926	5	40	IHBB	
O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1ccc(F)cc1[N+](=O)[O-]	23588037	QTBSHGCHLQKMDS-UHFFFAOYSA-N	430.417	3.598	5	40	IHBB	
CCOc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	57470924	OAOWXNJCJLXWML-QGZVFWFLSA-N	449.511	3.691	5	40	IHBB	
CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCN(c2ccccn2)CC1	58178861	DSZYDBSEOQZMRZ-UHFFFAOYSA-N	426.520	3.677	5	40	IHBB	
CCc1ccc([C@H](C)NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	260740938	BBKWIBIAVFVGFZ-JXFKEZNVSA-N	447.557	3.888	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1	408664320	PYPAVORKDCPSOX-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1	9632121	IGCAAMQJAISBME-UHFFFAOYSA-N	449.554	3.809	5	40	IHBB	
CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	9698975	XAAJECPSVFHVQG-UHFFFAOYSA-N	443.460	3.502	5	40	IHBB	
COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1	13748951	MZMJDRSOFVAXQY-UNOMPAQXSA-N	446.444	3.543	5	40	IHBB	
Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-]	16347815	OMRSCZIKESSCNR-UHFFFAOYSA-N	438.362	3.793	5	40	IHBB	
O=C(CS[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc12	105413424	XETDJOYGUOHWCB-IBGZPJMESA-N	435.461	3.752	5	40	IHBB	
CC(C)C[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1	220422184	NLYXXLLAQTWRNA-UZLBHIALSA-N	433.530	3.653	5	40	IHBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224354562	COZMESQWLDULLK-HXUWFJFHSA-N	447.532	3.911	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c([N+](=O)[O-])c1	408573099	LVFVRIRZGUVWEQ-UHFFFAOYSA-N	433.464	3.887	5	40	IHBB	
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	17098659	LGKDKPHNVCNXAI-UHFFFAOYSA-N	433.877	3.687	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)cc1	18213377	NAITYWUJYVPUTD-UNMCSNQZSA-N	426.432	3.686	5	40	IHBB	
CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222537935	RJFGSPVDHPNISM-SFHVURJKSA-N	433.530	3.957	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224774446	YAVOVGKNLYSYMO-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225644812	SUPGPICOCHSPRA-UZLBHIALSA-N	429.492	3.999	5	40	IHBB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	408574919	MQNNTBDEASJVTJ-UHFFFAOYSA-N	449.463	3.837	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)c(C)c1	408962352	HRKMFEHFRWXABT-MFOYZWKCSA-N	427.438	3.592	5	40	IHBB	
CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O	2199105	VQMOEJTVXVCYHL-UHFFFAOYSA-N	449.507	3.741	5	40	IHBB	
COc1cc(CCNC(=O)NCC2(c3ccccc3)CCCC2)c([N+](=O)[O-])cc1OC	9578172	LUKRNXIECYCGCE-UHFFFAOYSA-N	427.501	3.966	5	40	IHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2[N+](=O)[O-])CC1	21596116	XIHMSDHATGYARF-UHFFFAOYSA-N	437.544	3.835	5	40	IHBB	
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(F)cc12	35808631	RZIZXBJOEQRCSX-SNYIIPAISA-N	446.438	3.505	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOC[C@H]1C1CC1	95446189	JJJSOVDVAGOUFV-IBGZPJMESA-N	437.905	3.664	5	40	IHBB	
Nn1c(-c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)nc2ccccc2c1=O	575414755	BXTCOTQDGCXYAU-UHFFFAOYSA-N	427.214	3.708	5	40	IHBB	
COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21	2225911	JQPWBCMYZUIAKO-KRWDZBQOSA-N	441.491	3.530	5	40	IHBB	
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOC)cnc32)cc1	2308634	JVGYMDXQFSOBQH-UHFFFAOYSA-N	429.480	3.719	5	40	IHBB	
COc1ccccc1OCCNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9130873	RFBRWLNPLZPODW-LBPRGKRZSA-N	427.379	3.618	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(Sc3nc(C(C)(C)C)n[nH]3)c([N+](=O)[O-])c2)C1	14069258	FZVMQJHOCUISJC-LBPRGKRZSA-N	439.563	3.582	5	40	IHBB	
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21	24992500	MJBGCDIDMRWQFC-QHCPKHFHSA-N	425.488	3.784	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(NC)nc2)c([N+](=O)[O-])c1	40135246	XTEQBQKVDFRBFB-UHFFFAOYSA-N	427.486	3.990	5	40	IHBB	
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-]	408654996	RCANHVUJGWENBY-ZFWWWQNUSA-N	430.844	3.724	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(O)c2)c1	6142078	GSSZQZIBCNCGGO-UHFFFAOYSA-N	437.437	3.788	5	40	IHBB	
COc1ccc(Cc2nnc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)s2)cc1	9805611	CCKIOJODJNTUDQ-UHFFFAOYSA-N	429.414	3.515	5	40	IHBB	
CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CC2)cc1	20192132	RIJUMJNBBMDGCB-UHFFFAOYSA-N	448.479	3.965	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1	23143119	AXQWMFGBFHPFCF-UHFFFAOYSA-N	433.468	3.916	5	40	IHBB	
CCOC(=O)C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(OC)c1	58023403	JCNLQJOKXIBZLL-IBGZPJMESA-N	427.457	3.602	5	40	IHBB	
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409169323	XJUZCFXDKFLMMS-CXUHLZMHSA-N	431.832	3.748	5	40	IHBB	
O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nnc2ccccn12	31499599	ZGVBKINFYNQFSL-LJQANCHMSA-N	434.500	3.995	5	40	IHBB	
CN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	58224372	VAIVHDFNOAWKTJ-CYBMUJFWSA-N	425.894	3.664	5	40	IHBB	
Cc1cccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1	106707512	OJLMXOCDPAQIAT-MOSHPQCFSA-N	439.493	3.976	5	40	IHBB	
COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1	2216879	OWZUPGMIGNUPAI-UHFFFAOYSA-N	443.507	3.696	5	40	IHBB	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	8791407	IEYIAQKUFZAYBP-KGLIPLIRSA-N	439.855	3.929	5	40	IHBB	biogenic
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	14186139	QRMUGENHDULPFJ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1	22997432	UEAMCGKKZXUWCT-UHFFFAOYSA-N	444.488	3.713	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O	111507853	YHRUJXPVGKUSOU-YVLHZVERSA-N	427.438	3.587	5	40	IHBB	
CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(Cl)c1OC(C)=O	824653	FSCZMAZTZPGSBN-SXGWCWSVSA-N	430.800	3.917	5	40	IHBB	
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	9059166	KRXPRBFQWSYELD-UHFFFAOYSA-N	432.893	3.720	5	40	IHBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	9090837	XMYZHRYEZBEILD-UHFFFAOYSA-N	439.390	3.593	5	40	IHBB	
O=C(NCCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	12859641	MICKPDZSSNGENE-UHFFFAOYSA-N	431.492	3.986	5	40	IHBB	
COC(=O)c1sc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1C	34837599	WKEMMVHEBRFSEG-UHFFFAOYSA-N	446.466	3.533	5	40	IHBB	
Cc1ccc(C(=O)N2CCN(CCOc3cccc(Br)c3)CC2)cc1[N+](=O)[O-]	40158563	ZNFNBKCMAAXNPS-UHFFFAOYSA-N	448.317	3.503	5	40	IHBB	
O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccs1	52521495	KTMCMHFYDKBORI-UHFFFAOYSA-N	429.420	3.654	5	40	IHBB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1	218314043	IEULMYJBDMHJKZ-UHFFFAOYSA-N	425.466	3.813	5	40	IHBB	
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	17885737	KQVZEZIPDVBIAL-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCCN3CCOCC3)cnc21	20080911	PYMVGWGQHORFRT-UHFFFAOYSA-N	448.571	3.597	5	40	IHBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223407717	FYZBJFKVYFGKLC-IBGZPJMESA-N	429.492	3.999	5	40	IHBB	
CCOc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O	1439194	FXZBPMIUAAXSAW-OVCLIPMQSA-N	430.800	3.917	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12	20567658	LNNFASIGHIHUBR-MEKIYTOJSA-N	446.438	3.505	5	40	IHBB	
CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12	22998225	PLIIJIWTALMXHQ-UHFFFAOYSA-N	440.525	3.746	5	40	IHBB	
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1	28924644	MXSYNBHEYSTGQZ-OAQYLSRUSA-N	436.493	3.660	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O	225293720	WBIDYCIHIDCSEV-UHFFFAOYSA-N	447.557	3.587	5	40	IHBB	
CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)o1	408559213	YCQSTGYZNBUDDB-UHFFFAOYSA-N	430.442	3.783	5	40	IHBB	
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCCO2	8831133	CLAADOMIYNZSQH-UHFFFAOYSA-N	442.478	3.616	5	40	IHBB	
COc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1N1CCCC1=O	14348699	LWKOQLFDQGDGPJ-UHFFFAOYSA-N	441.487	3.929	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1	20051096	ZYZLYRXNWPHODM-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	21577893	HTEDRETWXWJQGP-UHFFFAOYSA-N	428.464	3.813	5	40	IHBB	
CCOc1ccc(-c2cc(/C=C3/SC(=N)NC3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-]	28629687	CUZCAPUQRUMPTP-XDHOZWIPSA-N	435.465	3.985	5	40	IHBB	
COc1cccc(-c2c[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	83973791	XWLBECWRUFPOCE-LJQANCHMSA-N	428.470	3.519	5	40	IHBB	
COc1cc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C)cc1[N+](=O)[O-]	104568296	QZPNIZRWTNBQHH-RKOMNEFPSA-N	436.892	3.971	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](CC)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260504148	CXJLEZUZQSZLIT-UXHICEINSA-N	433.530	3.715	5	40	IHBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1cccc([N+](=O)[O-])c1	408653470	PXFOHTRRHIBAMI-GFCCVEGCSA-N	437.235	3.681	5	40	IHBB	
O=C(NN1C(=O)S/C(=C\c2c(O)ccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1	408762942	LZGZNRNXOYSGHN-WQRHYEAKSA-N	435.417	3.835	5	40	IHBB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F	409263935	ISCQYSCQAQTCPI-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1	2065976	NPMQKFQWGTUXID-UHFFFAOYSA-N	443.393	3.523	5	40	IHBB	
Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	3662628	IOYDTUREJUJYDX-NRFANRHFSA-N	444.447	3.900	5	40	IHBB	
C[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2C(N)=O)C1	9414904	DXEPUCYNJUVKEH-LBPRGKRZSA-N	428.514	3.733	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	222811646	IEFVSBGVPCLGJM-UHFFFAOYSA-N	441.509	3.611	5	40	IHBB	
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409165341	WTOVIYXJLXDBIG-UHFFFAOYSA-N	441.513	3.845	5	40	IHBB	
O=C(c1cc(C(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1	831516	ZIQSVHVJAVXOFY-UHFFFAOYSA-N	441.487	3.992	5	40	IHBB	
O=[N+]([O-])c1cnn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c1	2731316	PRIWYCMYASKJID-UHFFFAOYSA-N	430.881	3.527	5	40	IHBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1	6142763	WHNHUVWVVPENKB-UHFFFAOYSA-N	438.630	3.654	5	40	IHBB	
O=C(NCCCCCCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	8443802	MJRSQLVRGSXJCA-UHFFFAOYSA-N	428.445	3.613	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1	22997689	BEVJTMAGAURUQU-UHFFFAOYSA-N	444.488	3.713	5	40	IHBB	
CCOC(=O)C1=C(C)N(Cc2cccnc2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	40152352	KDPKHGDUWCWZSW-GOSISDBHSA-N	430.848	3.747	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOC[C@@H]1C1CC1	95446188	JJJSOVDVAGOUFV-LJQANCHMSA-N	437.905	3.664	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O	220385972	GEAPUXIAFCNCLX-LBPRGKRZSA-N	445.419	3.715	5	40	IHBB	
O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	408603281	BUERPDTWXSKIMK-IBGZPJMESA-N	449.866	3.751	5	40	IHBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O	409102636	DTDWDJJEZSSYNF-VBEHJTROSA-N	442.449	3.772	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1	409177172	CRBLRKLFONPLRB-UHFFFAOYSA-N	426.135	3.531	5	40	IHBB	
O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1	18194972	NOKAKFYARPFZPP-DEOSSOPVSA-N	431.492	3.874	5	40	IHBB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O	409019275	INLWFELASOUMSR-MUOOZZNISA-N	446.437	3.851	5	40	IHBB	
COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CSc2ccccc2)cc1=O	10255041	DUVJBRAFUVDXGW-UHFFFAOYSA-N	425.466	3.696	5	40	IHBB	
CN(C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	11614622	LEJVNYZQYNDHJN-NRFANRHFSA-N	443.459	3.961	5	40	IHBB	
O=C(NC(=S)Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17100212	RAYQDTMOGNGODY-UHFFFAOYSA-N	436.493	3.711	5	40	IHBB	
CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC	33380400	CFPHUMYRADWTBW-UHFFFAOYSA-N	442.209	3.859	5	40	IHBB	
C[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220415792	YQWMKULGIUDNRK-CVEARBPZSA-N	447.557	3.924	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223062266	VHLIRPQLDHXNDI-HXUWFJFHSA-N	429.542	3.690	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225025445	QBYWUZQYNHAJAW-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)c1	408666077	NQTQDNFEAXOZCA-UHFFFAOYSA-N	443.456	3.511	5	40	IHBB	
Cc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	408694378	FCJMAZFTSXFQMG-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
COc1ccc(CCn2c(-c3ccco3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1	2206454	DTBHZBWQKMWQKR-UHFFFAOYSA-N	427.460	3.760	5	40	IHBB	
CCOCCCNC(=O)c1c(N)n(-c2ccc(C)c([N+](=O)[O-])c2)c2nc3ccccc3nc12	2433910	HPJQITOUCAWQJN-UHFFFAOYSA-N	448.483	3.529	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	9955237	LBFIYEYJWNOVFK-UHFFFAOYSA-N	425.894	3.839	5	40	IHBB	
Cc1cccc(-c2nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)c1	13750591	YKBFLFZZEKGQOC-UNOMPAQXSA-N	430.445	3.842	5	40	IHBB	
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	32967196	CWWGPSZUZSVXLL-MRXNPFEDSA-N	448.859	3.568	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222536833	FKNNKOOZKPYTIJ-MRXNPFEDSA-N	443.884	3.879	5	40	IHBB	
Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c([N+](=O)[O-])c1	95929368	ZWCABHRNRYFSAW-JOCHJYFZSA-N	443.463	3.865	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2F)cc1	408565357	BUKTVMDUURNHJC-LPVCTFIXSA-N	447.466	3.973	5	40	IHBB	
O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1	408665506	FPKGDPHAYJCBLG-UHFFFAOYSA-N	433.464	3.779	5	40	IHBB	
CC(C)CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)S(=O)(=O)c1ccccc1F	3367203	NUYUVALILBPDJB-UHFFFAOYSA-N	438.477	3.837	5	40	IHBB	
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(Cl)cc1C(F)(F)F	3421494	AZICRIVYOBHPTH-UHFFFAOYSA-N	426.738	3.616	5	40	IHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2Br)NC(=O)N1	9438644	DDEGYRHAOJUSQO-MRXNPFEDSA-N	431.246	3.624	5	40	IHBB	
Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	15881357	LTZUFYLLBKEULI-UHFFFAOYSA-N	429.436	3.866	5	40	IHBB	
Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cccc1[N+](=O)[O-]	20489034	PJBHDXHSDZXUQS-LJQANCHMSA-N	445.541	3.516	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N(CCCCO)C2CC2)c([N+](=O)[O-])c1	72312258	VHNGCEYWRZSJRG-UHFFFAOYSA-N	433.530	3.551	5	40	IHBB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224596016	PHVRUVCRPCJANA-NRFANRHFSA-N	443.569	3.814	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3	6195091	ZXOHDMFHDOECSH-UHFFFAOYSA-N	441.465	3.962	5	40	IHBB	
Cc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccc([N+](=O)[O-])cc4)nn23)cc1	9578524	JSCBZMZPCGFCBP-UHFFFAOYSA-N	448.508	3.606	5	40	IHBB	
COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	9908655	XHANHHYQIZMAMG-JTQLQIEISA-N	426.256	3.517	5	40	IHBB	
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611754	OVTNRIYBGSFIOG-UHFFFAOYSA-N	426.256	3.999	5	40	IHBB	
O=c1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2c(ccc3ccccc32)o1	31593511	XNDMOMNIWJCSFD-UHFFFAOYSA-N	448.544	3.594	5	40	IHBB	
CC(C)OC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccccc3[N+](=O)[O-])C2=O)c1	102892556	ZCRZTWKVCXHFRU-UHFFFAOYSA-N	429.816	3.596	5	40	IHBB	
Cc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl	220385806	DMQKEKTVEMCWOO-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1	408633103	LNPVSFGXXPAJAZ-APSNUPSMSA-N	428.426	3.615	5	40	IHBB	
CC(C)c1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1	10296288	INODVKVISQAIHE-IBGZPJMESA-N	430.428	3.562	5	40	IHBB	
CC1CCC(NS(=O)(=O)c2ccc(NCc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1	16046233	WHDXROBHXUIZHO-UHFFFAOYSA-N	447.513	3.793	5	40	IHBB	
O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl	20153348	ILQGEDWEQAHJLA-UHFFFAOYSA-N	448.888	3.673	5	40	IHBB	
O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1	40134412	WMNKWOQQLYGLHD-UHFFFAOYSA-N	427.354	3.519	5	40	IHBB	
CC1(C)C[C@@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)OC(C)(C)OC2=O	102780340	SFVZXKJJWUYETE-JLDZCNIISA-N	428.485	3.747	5	40	IHBB	
O=[N+]([O-])c1ccc(Cn2cc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])c3ccccc32)cc1	409325217	XVTOUGBXDXLNTK-JXMROGBWSA-N	433.380	3.878	5	40	IHBB	
Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	9660484	RFAIHOJPAROUEC-UHFFFAOYSA-N	435.827	3.903	5	40	IHBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCC1	15955430	SSIFSZDXPSPDCV-QPPBQGQZSA-N	444.491	3.704	5	40	IHBB	biogenic
CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	32127236	YWJZRQHSKZCVGA-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1	40153069	GGSMHQXAWZUDDT-IBGZPJMESA-N	428.876	3.533	5	40	IHBB	
C[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2	222985799	OJUVNMMQBZKZPR-JKSUJKDBSA-N	445.541	3.506	5	40	IHBB	
COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224776132	RSUCEPNVSIGGAY-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
CC(C)(C)c1n[nH]c(Sc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1	9112699	CKQALWGLZDCQRX-UHFFFAOYSA-N	439.563	3.726	5	40	IHBB	
CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])cc1	14231992	DVKIWODDDWVRAH-CQSZACIVSA-N	433.486	3.766	5	40	IHBB	
Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])s3)nc12	22998196	YBUJVZHOMZJDNB-UHFFFAOYSA-N	432.527	3.553	5	40	IHBB	
O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N(Cc1ccccc1)c1ccccc1	79071408	NLEFTHZXUGMUFV-UHFFFAOYSA-N	442.269	3.752	5	40	IHBB	
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	220251353	BRKKWLRFSCPFAW-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O	220385659	IZMXHPNXVYYIFG-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1	9369117	BKCXORSYXBKGSK-UHFFFAOYSA-N	429.483	3.738	5	40	IHBB	
CCOc1ccc(-c2cnc(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2CCOC)cc1	9720789	AFGGDGNCCOXONJ-UHFFFAOYSA-N	440.456	3.844	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O	10276052	OUBGBRVNCUVIOW-MRXNPFEDSA-N	447.557	3.844	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C	408702166	KKAXBQFUCCYOKF-UHFFFAOYSA-N	447.513	3.585	5	40	IHBB	
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	9635601	PQTJYSHKZZLWDL-UHFFFAOYSA-N	441.362	3.599	5	40	IHBB	
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	10233097	IBXCQKBKZZMRHN-GOSISDBHSA-N	428.828	3.855	5	40	IHBB	
COC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	12858869	YDSZNGKUUCTFLZ-QGZVFWFLSA-N	445.815	3.664	5	40	IHBB	
COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1Cl	13482095	HKPFOOOCYPSNBT-CLFYSBASSA-N	429.816	3.795	5	40	IHBB	
COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)noc1C	15139087	MFKIXKLHRAEUHJ-UHFFFAOYSA-N	440.456	3.629	5	40	IHBB	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(Cc2ccc(Cl)cc2)CC1	15698607	ZMNXKAXNLFDPGI-UHFFFAOYSA-N	442.947	3.809	5	40	IHBB	
CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC	16051166	ROOJQOCZTOXJFQ-CYBMUJFWSA-N	432.429	3.585	5	40	IHBB	
COc1ccc(-c2cn3cc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)sc3n2)cc1OC	33401786	GUXNRZNJPVDDJZ-UHFFFAOYSA-N	445.478	3.821	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	715310	DGLXJNYFVASCGZ-NRFANRHFSA-N	429.432	3.749	5	40	IHBB	
CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nn1	9627034	CENRWISZEQIEIM-UHFFFAOYSA-N	446.872	3.751	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1CCOCC1	10059863	QUXFHLJSLXJLKO-UHFFFAOYSA-N	427.457	3.559	5	40	IHBB	
O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2cccc3ccccc23)CC1	16699212	FYOFXXDRAJPANI-UHFFFAOYSA-N	446.507	3.829	5	40	IHBB	
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12	36548444	FRFBDFBDAODCNX-UWUFEASWSA-N	427.460	3.971	5	40	IHBB	
O=C(OCC(=O)N1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	9509494	LXRGAUYZUWAVHF-UHFFFAOYSA-N	445.475	3.949	5	40	IHBB	
CS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2-c2ccccc2)c([N+](=O)[O-])c1	9932663	XOUAXHJTXVAWLS-UHFFFAOYSA-N	439.493	3.507	5	40	IHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(OC(F)F)c(OC)c1	12521574	LADSOTXGVCBALY-UHFFFAOYSA-N	426.372	3.620	5	40	IHBB	
COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	12760066	VBJALAAQRQQRNW-UHFFFAOYSA-N	429.776	3.874	5	40	IHBB	
C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1	828597	SCGYVEFHWKCGPE-AOMKIAJQSA-N	443.459	3.680	5	40	IHBB	
CCc1cc(I)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1	1848145	ZKYFXAWXEDDLHU-UHFFFAOYSA-N	426.210	3.779	5	40	IHBB	
COc1ccc(N[C@H](NC(=O)OC[C@@H]2CCCO2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	3163947	GXJWJLBKSOCACY-GXFFZTMASA-N	442.683	3.617	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(NC3CC(C)(C)NC(C)(C)C3)c([N+](=O)[O-])c2)CC1	8708446	QGRBTXDACVCRJP-UHFFFAOYSA-N	438.594	3.737	5	40	IHBB	
O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1	19869052	ZHYMYYKOVMXLAS-UHFFFAOYSA-N	427.413	3.548	5	40	IHBB	
COc1ccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	34910406	TXAHTFFZMLDAKK-KRWDZBQOSA-N	445.472	3.652	5	40	IHBB	
CC(C)(C)OC(=O)NC[C@@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCCCC1	72275433	JFOFAHQLYUUURO-QGZVFWFLSA-N	431.493	3.717	5	40	IHBB	
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c1	101224667	OZVWQMZSXNUHBB-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CC(C)c1ccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	220424414	UCPWUORIQNMBHF-KRWDZBQOSA-N	447.557	3.622	5	40	IHBB	
COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1	408671878	LUSBVYYGSLMUTH-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	3641583	MJXAVEFPFVFLKO-OAQYLSRUSA-N	448.435	3.524	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)c([N+](=O)[O-])c1	408571433	AZRIJYHRENAGKK-UHFFFAOYSA-N	431.876	3.696	5	40	IHBB	
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409232176	OIWYDFQUMVDONT-CXUHLZMHSA-N	431.832	3.748	5	40	IHBB	
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1	59363468	FIMIQWHQXTVXAG-CYBMUJFWSA-N	448.405	3.942	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	3959827	KZDHWXRVPKVGAW-OAQYLSRUSA-N	429.432	3.749	5	40	IHBB	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc([N+](=O)[O-])c1	8776472	QEYHGPZLZNUJAT-UHFFFAOYSA-N	448.545	3.724	5	40	IHBB	
COc1cc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)cc1[N+](=O)[O-]	8986153	ACODZAKMZWTUJA-UHFFFAOYSA-N	437.239	3.567	5	40	IHBB	
CCOc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	13100762	WFACOQMOUFHQRI-CYBMUJFWSA-N	436.848	3.986	5	40	IHBB	
COC(=O)c1c(-c2ccccc2Cl)noc1-c1cn(-c2ccc([N+](=O)[O-])cc2)nn1	1383805	HLGGRJMWNIGCBA-UHFFFAOYSA-N	425.788	3.938	5	40	IHBB	
O=C(Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1)c1ccccc1	14273002	MHUZPSYQGICMQV-UHFFFAOYSA-N	446.463	3.936	5	40	IHBB	
COc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)cc1	19929324	RYMFQKAKOOQBNE-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2	223240202	YLBLRZMYZHVMHT-INIZCTEOSA-N	445.541	3.507	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1	8768237	DFOXDPLPYLSJHJ-KUHUBIRLSA-N	437.477	3.987	5	40	IHBB	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2	15300827	YSBUGEJIHZDUFE-UHFFFAOYSA-N	439.390	3.941	5	40	IHBB	
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)nn1	15880831	HAPDGCVEVULIPC-UHFFFAOYSA-N	446.872	3.751	5	40	IHBB	
COc1ccc(CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F	32803652	ZXDBEPNXENXYLU-UHFFFAOYSA-N	430.358	3.673	5	40	IHBB	
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1	33704367	UDTLGFQZIJBMSH-UHFFFAOYSA-N	438.528	3.621	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O	220513612	QPGAKJZUWVRSET-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cccc([N+](=O)[O-])c1	4489320	VSCGNUWNCHOJSD-UHFFFAOYSA-N	448.405	3.634	5	40	IHBB	
CC1(C)C[C@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)OC(C)(C)OC2=O	9111390	SFVZXKJJWUYETE-YHEJKZAPSA-N	428.485	3.747	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2CCc2ccccc2)c(S(=O)(=O)N2CCCC2)c1	40153827	GYAJPJVTUCIUBU-LJQANCHMSA-N	429.542	3.981	5	40	IHBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	108952168	QTZMUYQSULNINL-LZYBPNLTSA-N	447.856	3.932	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(OC(C)C)c3)CC2)c([N+](=O)[O-])c1	408572537	JNBOQOXJICQHKB-UHFFFAOYSA-N	441.484	3.521	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408682139	IZONQLBWPARQLE-IRXDYDNUSA-N	441.871	3.981	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1	9312422	QCMIGTMWYPLPKM-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
COc1ccc2nc(N(CCN(C)C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2c1	9603833	XIRIJNWXPAXVQH-WDZFZDKYSA-N	426.498	3.821	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCCC1	5085662	ZBWLNBBUUFUSRS-UHFFFAOYSA-N	446.485	3.536	5	40	IHBB	
O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1	6444529	IPEAXLJPXNVMJD-UHFFFAOYSA-N	445.317	3.894	5	40	IHBB	
CCNc1cc(Nc2ccc(I)cc2)c([N+](=O)[O-])c2nonc12	9015775	FXPSWMAEDPYZGD-UHFFFAOYSA-N	425.186	3.911	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n[nH]1	9126012	QCPAEIAXFZJGSA-UHFFFAOYSA-N	433.877	3.697	5	40	IHBB	
CCn1c(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O	14200912	XWTDCXOKROQMKI-CQSZACIVSA-N	435.527	3.535	5	40	IHBB	
CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1	17096473	JNQLOLAHHMDRPN-UHFFFAOYSA-N	429.483	3.598	5	40	IHBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1	72284599	PYFWXKMVHSLFOY-SFHVURJKSA-N	426.498	3.694	5	40	IHBB	
C[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	220415718	YQWMKULGIUDNRK-JKSUJKDBSA-N	447.557	3.924	5	40	IHBB	
CCc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	222646137	VJLOOOZMMJTNOR-UHFFFAOYSA-N	439.921	3.996	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O)c1ccc([N+](=O)[O-])cc1	409389465	ZPWZCBKTOLGJTD-NVMNQCDNSA-N	436.401	3.620	5	40	IHBB	
O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12564975	NDTBWEFGOAWUEG-UHFFFAOYSA-N	435.845	3.572	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCCC1	205911773	AXOCGKKDYQONTR-GZTJUZNOSA-N	427.438	3.514	5	40	IHBB	
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1	408569079	IRJTYYZEPBNGHI-IBGZPJMESA-N	428.470	3.813	5	40	IHBB	
C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	9390527	DJEKQYAGOHAGJC-JTQLQIEISA-N	440.330	3.569	5	40	IHBB	
O=C(COc1ccccc1C(F)(F)F)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1	65623994	BOAXKUFWMNBXCS-UHFFFAOYSA-N	439.390	3.847	5	40	IHBB	
Cc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	10040050	AGZORYQEOBHXEM-HSZRJFAPSA-N	432.432	3.800	5	40	IHBB	
CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	14269561	CZFKDUNAPUNHDQ-UHFFFAOYSA-N	441.513	3.670	5	40	IHBB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1	14269685	BCWHEOQQQQYNDH-UHFFFAOYSA-N	442.266	3.940	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C	20061795	QBMJCHKLWIRHSE-UHFFFAOYSA-N	447.513	3.585	5	40	IHBB	
CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222519803	VSCPTGJJYNGDSP-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2ccccc2)N1CCN1CCOCC1	20308794	QNGGLDJSVPWVDX-QHCPKHFHSA-N	440.499	3.824	5	40	IHBB	
Cc1ccc([C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])N2CCOCC2)o1	32829195	TUEYJEQVFAGECH-HNNXBMFYSA-N	444.366	3.909	5	40	IHBB	
COC(=O)c1ccccc1Sc1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-]	43224365	GDUKUMXAMFKPBL-UHFFFAOYSA-N	443.403	3.783	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1	3240236	AYWNAECKLNHLBH-UHFFFAOYSA-N	448.497	3.525	5	40	IHBB	
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	17094380	WRAFQEBDPBBLLF-UHFFFAOYSA-N	425.422	3.988	5	40	IHBB	
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	102744749	NMDCUQHAPVTSMT-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
COCCN(C(=O)[C@H]1COc2ccccc2C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	16962008	UJQNOELWYDVDAA-QGZVFWFLSA-N	439.493	3.949	5	40	IHBB	
CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OC	225770510	OZBUJZYVLGDDHD-UHFFFAOYSA-N	442.468	3.857	5	40	IHBB	
CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)o1	1050257	MYQITVLBSGLGTN-UHFFFAOYSA-N	446.437	3.635	5	40	IHBB	
COc1ccccc1OCCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	3095316	IIMXBZYMJTUNSM-UHFFFAOYSA-N	430.404	3.910	5	40	IHBB	
Cc1ccc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	14826731	CZSGWXLTKOBYGS-UHFFFAOYSA-N	449.535	3.923	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-]	8938843	ROCHOBBHBYCUMD-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
CN1C(=O)[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21	13732843	YGXNEKGXSLNWFW-NRFANRHFSA-N	429.436	3.556	5	40	IHBB	
Cc1csc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)n1	19892903	PDJOZEPXKWQUIM-SFHVURJKSA-N	440.481	3.836	5	40	IHBB	
CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	223338902	JQQGXWHCOICDCJ-OAQYLSRUSA-N	447.557	3.581	5	40	IHBB	
CC(C)CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	2094776	WVURHXBQJVJIRJ-XUZZJYLKSA-N	446.507	3.807	5	40	IHBB	biogenic
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8831871	YQTAILRXNSXHKH-UHFFFAOYSA-N	445.435	3.887	5	40	IHBB	
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1	8992336	DQHFBBLIUXULGB-QFIPXVFZSA-N	431.452	3.904	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(NCCCn3ccnc3)c([N+](=O)[O-])c2)c(C)c1	9255089	VIEWDBUOKNNGDU-UHFFFAOYSA-N	429.502	3.711	5	40	IHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	13008547	KYOCDGYYPDZYDT-KRWDZBQOSA-N	439.512	3.945	5	40	IHBB	
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17096086	PFZLAKLWTXHMFJ-UHFFFAOYSA-N	428.558	3.624	5	40	IHBB	
CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	220397382	KRKFPKHXTDGTCI-PXNSSMCTSA-N	447.557	3.942	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223287032	JKFGUMPUSGZFRX-QGZVFWFLSA-N	438.311	3.998	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1	408661646	GBHSOEZJPMGYMJ-UHFFFAOYSA-N	439.346	3.514	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408683487	LKBFBSMQOVEXLA-HOTGVXAUSA-N	441.871	3.981	5	40	IHBB	
COc1ccc(-c2nc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1	13112256	ZXJFWWQXGSSFSJ-UHFFFAOYSA-N	440.481	3.794	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542889	YYMWAMBVIBFTAU-FXAWDEMLSA-N	447.557	3.942	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O	409164172	DLXNLYJMKFIEKX-LICLKQGHSA-N	427.438	3.587	5	40	IHBB	
O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2	12582301	VYXPQSMUKLAPSQ-UHFFFAOYSA-N	441.528	3.827	5	40	IHBB	
C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	13572772	QKSFQNZNHONZEP-VIFPVBQESA-N	427.471	3.504	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1	16347439	YYVQPVDUFYTRRY-UHFFFAOYSA-N	441.465	3.722	5	40	IHBB	
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	220432791	HDZVQQCWZNRNCL-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(OC)c2)cc1	408572439	RDUFVRZLSGINKJ-IBGZPJMESA-N	430.486	3.712	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408682911	KHKPUORNSXJVMQ-HZPDHXFCSA-N	439.855	3.757	5	40	IHBB	
CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	408714047	HJDNTORTFRUXQP-UHFFFAOYSA-N	430.486	3.763	5	40	IHBB	
CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc(OCC)c1OCC	20529110	SWJSNPZYVWZNFK-UHFFFAOYSA-N	449.416	3.960	5	40	IHBB	
CC(C)OC(=O)C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-]	22188844	SPSFNVSQZUAFNG-MRXNPFEDSA-N	448.859	3.832	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1F	23299207	ZWKYCWDAWHAQNW-UHFFFAOYSA-N	430.413	3.828	5	40	IHBB	
COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1	12996307	QTEXNRWAOQZULX-SFHVURJKSA-N	426.425	3.520	5	40	IHBB	
Cc1ccc(C2=N/C(=C\c3ccc(I)cc3)C(=O)O2)cc1[N+](=O)[O-]	15135273	GSRCHNJLLRYYCE-ZSOIEALJSA-N	434.189	3.852	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	19162996	HMQTVATXHITJJP-UHFFFAOYSA-N	437.905	3.596	5	40	IHBB	
COc1ccc([C@H]2N=C(N)Nc3nc4ccccc4n32)cc1OCc1ccc([N+](=O)[O-])cc1	19355962	UIWGRPNPJUZXRY-NRFANRHFSA-N	444.451	3.819	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1	9714671	NZSPNSWVWLFETH-UHFFFAOYSA-N	439.497	3.843	5	40	IHBB	
COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O	19645769	NSRYXMCLBVNSLG-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	32906447	PLSCMHDDZYEQTI-UHFFFAOYSA-N	447.513	3.594	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1F)S(C)(=O)=O	220600056	ZLUGENWXMJMIFV-OAHLLOKOSA-N	429.857	3.571	5	40	IHBB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225041218	JDEOOVQTFQNUAJ-GOSISDBHSA-N	443.569	3.814	5	40	IHBB	
O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F	12137372	OSZLZYWMKCAHKQ-UHFFFAOYSA-N	447.488	3.893	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C	12653891	HTCCSKZTEHAQOX-DYEKYZERSA-N	431.411	3.652	5	40	IHBB	
C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	12750896	GGBFDTIEIXMGQR-MWLCHTKSSA-N	443.938	3.810	5	40	IHBB	
CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1	13097193	UJVLSDTURFGUPU-UHFFFAOYSA-N	443.891	3.644	5	40	IHBB	
CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1	14318154	LVTPUJIFDNADLG-KRWDZBQOSA-N	439.921	3.832	5	40	IHBB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1	22389999	AVQLQOWHSFVNGR-UHFFFAOYSA-N	435.458	3.629	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224758063	PIUJOYYZCPQVJJ-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	408728445	MNBQNXKSADPHCH-ZQFKLAOWSA-N	438.439	3.735	5	40	IHBB	
COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CC(=O)Nc3ccccc32)cc1	8899585	IYXLIFZRPVHJNO-UHFFFAOYSA-N	433.420	3.635	5	40	IHBB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)n2C	12530771	IVCLYDSMBQIXQL-UHFFFAOYSA-N	443.847	3.712	5	40	IHBB	
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20410873	OJIGCPKXVQIWLW-UHFFFAOYSA-N	426.256	3.756	5	40	IHBB	
O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	408603186	BHPMUHCKFGVSIA-IBGZPJMESA-N	431.876	3.612	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408686234	RBCGEDBFAGWRJP-HZPDHXFCSA-N	441.871	3.981	5	40	IHBB	
O=C(O)CCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1	408750826	SEBIYOQMGWWDJU-UHFFFAOYSA-N	429.435	3.572	5	40	IHBB	
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1[N+](=O)[O-]	409372826	RJVTZJNJBYMQTL-HTUUBCJYSA-N	444.443	3.915	5	40	IHBB	
COc1ccc2nc(Sc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])[nH]c2c1	12560078	QYIXPDOMRCQJFJ-UHFFFAOYSA-N	448.526	3.806	5	40	IHBB	
Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c([N+](=O)[O-])n1	33010856	DTPQOMPUCUZWGV-UHFFFAOYSA-N	441.513	3.806	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	220397095	CAMPKJZCYSGOBV-IRXDYDNUSA-N	433.530	3.552	5	40	IHBB	
O=[N+]([O-])c1ccc(Oc2cccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	409323838	REOYXRBXLLGNLV-XQRVVYSFSA-N	441.312	3.575	5	40	IHBB	
COc1cc(CCNc2ncnc3c2cnn3-c2ccc(F)cc2)c([N+](=O)[O-])cc1OC	9513540	HGHHTGGKFUMHAG-UHFFFAOYSA-N	438.419	3.535	5	40	IHBB	
CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	223283856	GPUMEPDXIFYABE-SFTDATJTSA-N	437.525	3.784	5	40	IHBB	
CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	224156384	IZBMHLAEVZDQPY-UHFFFAOYSA-N	429.429	3.811	5	40	IHBB	
Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	260914944	BYDKTCAVKHAQQK-ROUUACIJSA-N	447.557	3.860	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408690140	ZTYUNLMPOLSLKE-KDURUIRLSA-N	439.855	3.757	5	40	IHBB	
O=C(NCCc1ccccc1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12	6143827	KQADOPCUZDMUQK-UHFFFAOYSA-N	433.471	3.850	5	40	IHBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCc1ccccc1	9010319	FUMHEVPPJKXIRE-BQYQJAHWSA-N	429.816	3.795	5	40	IHBB	
C[C@@H](OC(=O)/C=C/c1cnc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9612518	YHIZMKJLHVEHBS-UVMWJGKXSA-N	426.816	3.775	5	40	IHBB	
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1	223320072	XFFRQQOMRJNGIN-BWAGFHJFSA-N	449.536	3.932	5	40	IHBB	
CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	409340581	ZQCNWUCSAKICLT-UHFFFAOYSA-N	443.485	3.525	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)n1C	3400222	VMVJXXSCUPQUFN-ZDUSSCGKSA-N	427.486	3.827	5	40	IHBB	
CCCn1c(=O)c2ccccc2n2c(SCCOc3cccc([N+](=O)[O-])c3)nnc12	40122984	GLZQQEZOGYOFIO-UHFFFAOYSA-N	425.470	3.534	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222530021	LRZSHUIVQRDLGH-OXJNMPFZSA-N	433.530	3.634	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	9720827	OTKOIYOFJFKADH-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCc1ccc([N+](=O)[O-])cc1	9934925	CKDBEBGMZGCAQR-OAQYLSRUSA-N	444.451	3.628	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1N1CCOCC1	12517108	AGQFZGSVXFSSNL-HNNXBMFYSA-N	432.908	3.544	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	12876274	PQUYDEJBGSTEGH-UHFFFAOYSA-N	431.514	3.649	5	40	IHBB	
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1	31907687	MBKWYHBTOCMRHP-UHFFFAOYSA-N	425.420	3.736	5	40	IHBB	
Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br	408643297	RCNFKZOUJWPANG-ZDUSSCGKSA-N	432.274	3.966	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1[N+](=O)[O-]	408672170	ZSPJIWQEQARYBY-FHQLIMNDSA-N	436.464	3.930	5	40	IHBB	
O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1	9469665	MFMGMITXNSJKFJ-UHFFFAOYSA-N	448.859	3.603	5	40	IHBB	
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	10370875	GZUTYJPSTJFONV-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
CCOC(=O)C[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)no1)c1cccc([N+](=O)[O-])c1	12413208	ZMYCIFVNGYKZNZ-GOSISDBHSA-N	439.424	3.683	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	15207665	BKZVFTQDVSPFOG-UHFFFAOYSA-N	446.573	3.702	5	40	IHBB	
CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1	21421675	CJASEDMDACRYBK-ZDUSSCGKSA-N	442.424	3.533	5	40	IHBB	
COc1ccc(CCN2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@H]3C)cc1OC	34858328	XCYGEZPDFCZRBO-JYYJXNPCSA-N	443.525	3.831	5	40	IHBB	
CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222568056	STONGXNCYVAUEW-RXVVDRJESA-N	425.529	3.902	5	40	IHBB	
Cc1nc2c3c4c(sc3n3c(SCC(=O)Nc5ccccc5)nnc3n2n1)CCCC4	2426823	UPXVRTFRBKHMRC-UHFFFAOYSA-N	449.565	3.905	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	9289736	DGDNQFKQKGSJEJ-AWEZNQCLSA-N	443.308	3.731	5	40	IHBB	
O=C(c1ccccc1Br)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	9541870	FBXPOOKLJAVWBX-UHFFFAOYSA-N	447.314	3.929	5	40	IHBB	
CC(C)Cn1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3ccccc3nc21	16976166	UGYVOWHHUSKEFN-UHFFFAOYSA-N	425.470	3.950	5	40	IHBB	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(C(=O)N2CCCCC2)CC1	32900303	QTXGTIHERJZBIS-UHFFFAOYSA-N	446.891	3.872	5	40	IHBB	
O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	408605762	GQHRWWKFNIYVGC-IBGZPJMESA-N	431.876	3.612	5	40	IHBB	
CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)N(C)C2=S)cc1	409034642	HVFIMEVQWFAWDM-BOPFTXTBSA-N	443.481	3.702	5	40	IHBB	
Cc1nc(-c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2)no1	32739702	PFLSLDFYQVJRAY-UHFFFAOYSA-N	430.442	3.530	5	40	IHBB	
O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1Cl	6446987	GMCMBMSJQORRBF-UHFFFAOYSA-N	444.860	3.760	5	40	IHBB	
Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	18043246	SZWUKONEPNTQLQ-UHFFFAOYSA-N	433.940	3.609	5	40	IHBB	
Cc1ccc(C(=O)COC(=O)c2cccc(I)c2)cc1[N+](=O)[O-]	409179077	MYYDSQVOHJXWPY-UHFFFAOYSA-N	425.178	3.548	5	40	IHBB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1cccc(Cl)c1	57593736	CNPVYSFLFPJKHS-UHFFFAOYSA-N	425.876	3.557	5	40	IHBB	
Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	12579805	RMJUVNRKSXATDT-INIZCTEOSA-N	440.403	3.823	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)ccc1Cl	16120785	AXLMCCZBPCSWFS-UHFFFAOYSA-N	449.666	3.583	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1	32936936	RZLZXFZJUOLIGV-UHFFFAOYSA-N	449.838	3.778	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	248232415	AVKPDODUWHDKSE-CGXNFDGLSA-N	445.475	3.725	5	40	IHBB	
COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2nccn2C)c1	12602610	HRBFXEGIONLDFK-GOSISDBHSA-N	430.848	3.518	5	40	IHBB	
COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1	20611309	BARDSBSJEQTQPZ-UHFFFAOYSA-N	433.424	3.663	5	40	IHBB	
C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2	9117670	KLUULKRWGIQZJD-CABCVRRESA-N	447.513	3.917	5	40	IHBB	
O=c1n(Cc2ccc(F)cc2)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccc(F)cc1	9879833	YUHWONHBRRDIKI-UHFFFAOYSA-N	440.362	3.994	5	40	IHBB	
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccco2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C	36331973	YGZNELVIXLJXGW-NYQDVAGCSA-N	447.447	3.572	5	40	IHBB	
O=C(O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225006478	JIILEBRDLOTPEL-UHFFFAOYSA-N	438.767	3.547	5	40	IHBB	
Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4)ccc32)cc1	223377678	NCQVKXBHLMDBEP-UHFFFAOYSA-N	437.477	3.907	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223836742	KEBKWWBIFVNGBM-ZDUSSCGKSA-N	438.311	3.998	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	9720828	VOKQXGKJYGGVCO-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
O=C(COCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1	9833756	GRYATVZRAVECTP-UHFFFAOYSA-N	435.436	3.768	5	40	IHBB	
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	18006700	SNEWQCQLUSJOIO-UHFFFAOYSA-N	428.464	3.825	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCN2CCCC2)c([N+](=O)[O-])c1	32743569	HRQUMEFZNHWYQD-UHFFFAOYSA-N	432.546	3.708	5	40	IHBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O	95929419	VMGHFEPARZEFKE-QFIPXVFZSA-N	443.463	3.865	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222520107	JDOBXDMQIVWOEC-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1	223255055	ZCKGRFGUZSSNEN-OAHLLOKOSA-N	447.513	3.612	5	40	IHBB	
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(SC)cc1	224995978	HMKVYQRRFOKVBN-UHFFFAOYSA-N	444.918	3.729	5	40	IHBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408678159	CQVGVGYLPXLYBX-HFTRVMKXSA-N	439.443	3.713	5	40	IHBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	1301746	SKGFYHBUPCKPHJ-INIZCTEOSA-N	447.241	3.820	5	40	IHBB	
COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc(Br)cc1)[N+](C)(C)CC3)OCO2	1839101	MNEMBLITWSCIAC-DLBZAZTESA-N	435.338	3.984	5	40	IHBB	biogenic
CC[C@@H](C)NC(=O)c1c(N)n(-c2cc([N+](=O)[O-])ccc2OC)c2nc3ccccc3nc12	2367505	PIOCLJPQZVDJMX-GFCCVEGCSA-N	434.456	3.601	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)c1nc2ccccc2s1	22997238	BKBSKEZOGOPNBC-UHFFFAOYSA-N	426.498	3.574	5	40	IHBB	
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccccc1	9327557	MMJMBFNDAZBDEG-AWEZNQCLSA-N	439.497	3.672	5	40	IHBB	
CCc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1	9357412	VNDFNMUVVIXRHY-KRWDZBQOSA-N	436.917	3.640	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1N1CCCC1	9562873	AANAVIWKVYUXSB-UHFFFAOYSA-N	426.292	3.758	5	40	IHBB	
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)CC1=O	10462060	LUFIWVNQOJPOSQ-HNNXBMFYSA-N	442.447	3.573	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2c[nH]c(Sc3nc([N+](=O)[O-])nn3Cc3ccccc3F)n2)cc1	15321223	FBUJHMIRLBKVEN-UHFFFAOYSA-N	441.404	3.823	5	40	IHBB	
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	15391482	STHFEFDOSRSTRJ-UHFFFAOYSA-N	431.495	3.829	5	40	IHBB	
COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1	17095359	FIBQIOBREVUFSX-UHFFFAOYSA-N	427.438	3.935	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222522533	BEMCLIUKABFDOX-LJQANCHMSA-N	433.530	3.903	5	40	IHBB	
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	9112304	RGIFGSJZDSHWPK-UHFFFAOYSA-N	427.791	3.939	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nnc1-c1cccs1	9544906	LXRVAMAQOORHDG-UHFFFAOYSA-N	433.515	3.983	5	40	IHBB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O)n[nH]2)c1	408635092	YRPNRUWIJZSBOC-APSNUPSMSA-N	428.426	3.615	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1C	604483790	HMOYUZHQGBGROE-INIZCTEOSA-N	429.542	3.816	5	40	IHBB	
Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	15398155	FGQMKRHWFCGBEO-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])CC1	20153100	ZSCJRWHZXROQBQ-UHFFFAOYSA-N	442.497	3.656	5	40	IHBB	
COc1ccccc1Nc1nc(NC[C@H](c2ccco2)N2CCCC2)nc(N)c1[N+](=O)[O-]	35681903	BTVBDPANZYBMPH-OAHLLOKOSA-N	439.476	3.561	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	408675151	ACTCBVDHHURAID-LSOMNZGLSA-N	430.420	3.847	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-]	409154942	PNHOLRVLLQUDRY-LICLKQGHSA-N	427.438	3.587	5	40	IHBB	
Cn1c(=O)c(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc2ccccc21	553283542	AAMAWUXSYQWQEZ-UHFFFAOYSA-N	445.425	3.741	5	40	IHBB	
O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1	845508	OWUZGMDBJFSQKB-OAHLLOKOSA-N	429.317	3.794	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN(CC)CC)cc2)cc1[N+](=O)[O-]	17097042	VNVOGSFEPKCSMA-UHFFFAOYSA-N	430.530	3.962	5	40	IHBB	
O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17100206	QRCSPAOBDAXCKP-UHFFFAOYSA-N	436.493	3.711	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C	62581048	PQHJAVKXWYGGGA-NRFANRHFSA-N	436.493	3.858	5	40	IHBB	
CN1c2ccccc2Oc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2S1(=O)=O	15109700	UQHFNHXEGQCVNA-UHFFFAOYSA-N	425.422	3.778	5	40	IHBB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	20154350	UMTTUDIJYKYZLK-LBPRGKRZSA-N	439.299	3.717	5	40	IHBB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	20798607	UNJBMBILCKQADY-LJQANCHMSA-N	437.452	3.732	5	40	IHBB	
COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccccc1Cl	33629108	VIQVOYYEKWCWDH-SOFGYWHQSA-N	429.816	3.795	5	40	IHBB	
CC1(C)Cc2cccc(OC3CCN(Cn4c(=O)oc5ccc([N+](=O)[O-])cc54)CC3)c2O1	48288024	HLXAYPOMQUSQPY-UHFFFAOYSA-N	439.468	3.717	5	40	IHBB	
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccccc1F	103623908	NHZSZGDVBIEKJZ-TZIWHRDSSA-N	430.395	3.516	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(OC2CCCC2)cc1	225093926	YCZQFYQTJDCUQC-UHFFFAOYSA-N	434.470	3.505	5	40	IHBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	9441315	RKKMTGUHZMIYPC-UHFFFAOYSA-N	449.554	3.890	5	40	IHBB	
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1	10253097	DFXOZZFABPHKHC-UHFFFAOYSA-N	437.524	3.755	5	40	IHBB	
CCOC(=O)N1CCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1	38311171	XIPVCVDFHFFFDL-UHFFFAOYSA-N	434.525	3.735	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	9511938	HKEYLGLREALGQQ-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	10186639	ICLYEHKAGYYWFQ-UHFFFAOYSA-N	439.859	3.794	5	40	IHBB	
CCOC(=O)c1c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)sc(C(C)=O)c1C	12413646	XOZOBSZFPKORDN-UHFFFAOYSA-N	436.490	3.576	5	40	IHBB	
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	13005744	CQXDJFYHRXTDBW-KRWDZBQOSA-N	441.868	3.569	5	40	IHBB	
Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1	15881996	KCLKALGLJZZLGA-LJQANCHMSA-N	430.507	3.910	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	32126825	AQBBWDSEWBNDPJ-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225549475	LJKTYAIXDRQHCX-DEOSSOPVSA-N	445.519	3.832	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O	260593146	XHBUANQINCMHSV-FXAWDEMLSA-N	447.557	3.961	5	40	IHBB	
CCOc1ccc2c(c1)c(=O)c1cccnc1n2CC(=O)Nc1ccc(OC)cc1OC	9225075	LAQSQJJZAWRIBA-UHFFFAOYSA-N	433.464	3.604	5	40	IHBB	
CCc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1	9357410	VNDFNMUVVIXRHY-QGZVFWFLSA-N	436.917	3.640	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccccc1F	9403862	ZUMPMAVEBFSACA-JTQLQIEISA-N	429.326	3.735	5	40	IHBB	
O=C(Nc1ccccc1)c1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1	11537556	WQSOWHZWHQFWOU-UHFFFAOYSA-N	434.404	3.975	5	40	IHBB	
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	12745539	QPXOZEGOKZECKW-UHFFFAOYSA-N	430.844	3.755	5	40	IHBB	
CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1	12943560	JSJXGJGAZDIUKS-SFHVURJKSA-N	426.425	3.520	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	20571017	HRGKWIHGJWQDGE-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
O=[N+]([O-])c1nn(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1Cl	2730982	VFASDFBHHGODLN-UHFFFAOYSA-N	430.881	3.527	5	40	IHBB	
COc1cc(OC)c(C2=CCN(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)c(OC)c1	23399190	UCWZPZMKGFZWRD-UHFFFAOYSA-N	443.456	3.950	5	40	IHBB	
Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	58177736	IXNVUARYZHBUIT-OAQYLSRUSA-N	447.495	3.703	5	40	IHBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cc(F)cc3c2OCOC3)CC1	12554355	IVVLRWHKGRCBNB-UHFFFAOYSA-N	441.381	3.941	5	40	IHBB	
COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C[C@H](O)C(C)(C)O4	13382497	KCMPFWGUVNEDHW-SFHVURJKSA-N	426.465	3.949	5	40	IHBB	endogenous,in-man
Cc1c(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220034890	INZDYNGBENGAIN-UHFFFAOYSA-N	447.513	3.629	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1	408961414	CBCZEAYUHZAOKX-NVNXTCNLSA-N	433.829	3.629	5	40	IHBB	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F	12591232	AHKHDVIAZWNZJI-CWTRNNRKSA-N	449.410	3.950	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	113883804	LPSBJSOSMVQSEB-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CC(=O)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O	409189601	RHBFHGXSQVMFRO-DHDCSXOGSA-N	431.198	3.627	5	40	IHBB	
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1	2315286	PYMMPVRVUBZKGX-UHFFFAOYSA-N	437.459	3.993	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O	3450435	NPZOSIJQWMAQNP-AISYJPRCSA-N	441.440	3.600	5	40	IHBB	aggregator
COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c([N+](=O)[O-])cc1OC	9569223	DOWYSNYEGGEZLL-UHFFFAOYSA-N	425.441	3.554	5	40	IHBB	
Cc1c(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220030991	FDTJCKOGHQFLKO-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CCOC(=O)c1cn(Nc2ccc([N+](=O)[O-])cc2F)c2c(F)c(F)c(F)cc2c1=O	9354834	YIJUSQSLKLOBIG-UHFFFAOYSA-N	425.294	3.518	5	40	IHBB	
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	10218287	CVVCABCRXJQYJJ-UHFFFAOYSA-N	431.495	3.911	5	40	IHBB	
Cc1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc2c1c(=O)oc1ccccc12	11726702	BCNHUEPDZZRLDC-UHFFFAOYSA-N	427.416	3.555	5	40	IHBB	
CC[C@@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	17057614	LAUHQKWVWDBCBB-HCVAFPHWSA-N	432.480	3.560	5	40	IHBB	
CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H](Cc1ccccn1)C(C)(C)C	72306466	FIWISTHXKRENGF-FQEVSTJZSA-N	440.500	3.794	5	40	IHBB	
CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21	73642471	ATBCKJZMCZBWIY-UHFFFAOYSA-N	432.274	3.980	5	40	IHBB	
COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)O)n[nH]1	408631521	JYPXSNLEFVVDBN-CHHVJCJISA-N	448.844	3.965	5	40	IHBB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(NC(C)=O)cc1	408639425	WTKLFAUNWPZURM-UHFFFAOYSA-N	428.430	3.891	5	40	IHBB	
O=c1c2c3nc4ccccc4nc3n(C[C@H]3CCCO3)c2ncn1CCc1ccccc1	4327016	PYCZKPDOFIOPID-GOSISDBHSA-N	425.492	3.716	5	40	IHBB	
C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2	8825225	FWTFMDXAPHWBET-KSKOPSKJSA-N	442.512	3.762	5	40	IHBB	
O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(O)(c1ccccc1)c1ccccc1	8881370	JFGXXDXOEIXKNS-UHFFFAOYSA-N	431.404	3.624	5	40	IHBB	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(Cl)cc1Cl)C2=O	9042632	WGSSOYLGCBLEPL-KRWDZBQOSA-N	433.251	3.899	5	40	IHBB	
CCOc1ccc(NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c([N+](=O)[O-])c1	9630860	SKXQEJPLZOVQHM-UHFFFAOYSA-N	438.436	3.953	5	40	IHBB	
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])n2)c1	19928940	ANWAWCQZABXEGU-UHFFFAOYSA-N	443.485	3.745	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1	101174721	UGOQNYOQKXHMQB-BDTNDASRSA-N	429.432	3.642	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223243151	SPYJXLNCPQPOGG-KRWDZBQOSA-N	438.311	3.998	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1Cl	409245868	ACUAKKZLDNRIGQ-RIYZIHGNSA-N	433.829	3.629	5	40	IHBB	
Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	10433820	SGHRIUQNGRITMP-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O	13715946	SGOCPLTWYKDOMT-INIZCTEOSA-N	429.857	3.571	5	40	IHBB	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1	32774323	IGGWGHPOKXPLCJ-GUTXKFCHSA-N	430.461	3.558	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408676156	AETKJPDMURMFQU-IAGOWNOFSA-N	439.855	3.757	5	40	IHBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O	409102634	DTDWDJJEZSSYNF-FHXOWUIVSA-N	442.449	3.772	5	40	IHBB	
Cc1cc(I)cc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cn1	409180288	WAMIDLVBKKYJRF-UHFFFAOYSA-N	443.266	3.942	5	40	IHBB	
Cc1ccc(NC(=O)COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1C	409343807	IJHMEYOCLSQCLF-UXBLZVDNSA-N	436.424	3.601	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1	8856600	DFOXDPLPYLSJHJ-AUUYWEPGSA-N	437.477	3.987	5	40	IHBB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	9119880	SNKUCCNYXPHZJD-OAQYLSRUSA-N	433.468	3.795	5	40	IHBB	
CCNc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-]	9907300	ISCZXNVQMZZDRS-UHFFFAOYSA-N	439.468	3.533	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1Cc1ccccc1	12139898	ILTXKNHWZXTCFB-FSSWDIPSSA-N	429.432	3.642	5	40	IHBB	
C[C@H](OC(=O)CCc1ccc2c(c1)OCCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	12949534	QQSHUDGVOCLLOF-ZDUSSCGKSA-N	425.397	3.653	5	40	IHBB	
CCCC[C@@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224853986	RVJJKBDXNHBARV-QGZVFWFLSA-N	427.567	3.782	5	40	IHBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1Cl	408638237	QBAAGDISLWIHKO-LLVKDONJSA-N	437.235	3.681	5	40	IHBB	
CCCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O	409236795	HFPVDWMLSQJNMC-NTEUORMPSA-N	442.384	3.607	5	40	IHBB	
Cc1ccccc1OCC(=O)Nc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	1028428	UBHAMFIFXAXKIT-UHFFFAOYSA-N	431.404	3.721	5	40	IHBB	
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c1	9290746	OZVWQMZSXNUHBB-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Oc1cccc(Oc3ccccn3)c1)OCCCO2	12597127	KLPBXGXGPWVUSW-UHFFFAOYSA-N	444.421	3.711	5	40	IHBB	
O=[N+]([O-])c1ccc(NCCCCCCCN2CCCC2)c(S(=O)(=O)N2CCCC2)c1	48353595	GFZJGAOMIJNRDE-UHFFFAOYSA-N	438.594	3.838	5	40	IHBB	
C[C@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N+]2(O)C1	103633001	ZSDBUJBJWGVNKA-NSKPQKTOSA-N	446.652	3.790	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1	2711573	SJPPNZOSEQCURV-UHFFFAOYSA-N	429.882	3.681	5	40	IHBB	
Cc1nn(CC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c(C)c1[N+](=O)[O-]	3426865	IWXDAVGDXWLQIT-UHFFFAOYSA-N	438.465	3.781	5	40	IHBB	
CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1F	9010347	XJASSMYUYBQZJG-NTMALXAHSA-N	427.388	3.671	5	40	IHBB	
O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1	9707867	YVOZJJYWWPUADK-UHFFFAOYSA-N	426.483	3.759	5	40	IHBB	
COc1cc(NC(=O)COc2ncnc3ccc(Br)cc23)c(C)cc1[N+](=O)[O-]	13097376	BBPZAPBLQLIAEM-UHFFFAOYSA-N	447.245	3.635	5	40	IHBB	
COc1ccc(CNc2oc(-c3cccc([N+](=O)[O-])c3)nc2P(=O)(OC)OC)cc1	16750231	DKLUSTVYDABFRO-UHFFFAOYSA-N	433.357	3.982	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	27519477	WYWRNVITPJVTRK-PXNMLYILSA-N	431.382	3.970	5	40	IHBB	
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	32966745	UYELPYLMPOHPCS-GOSISDBHSA-N	425.485	3.887	5	40	IHBB	
COc1ccccc1[C@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1)N(C)C	35681900	HSPQIXLORZNSSP-INIZCTEOSA-N	441.467	3.573	5	40	IHBB	
CCc1ccc(-c2nn3c([C@@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1	101018106	WZAQPLCEYCWYSO-USNOLKROSA-N	438.487	3.857	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3[nH]c2=O)c1	8710327	LOAAGUMGXGWLJP-UHFFFAOYSA-N	436.449	3.608	5	40	IHBB	
CCOC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792313	ZOYNMYHTGNMNFN-ZDUSSCGKSA-N	446.459	3.940	5	40	IHBB	biogenic
O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ncc([N+](=O)[O-])s1	9438734	VRIXOLSAOTULMA-MDWZMJQESA-N	433.442	3.974	5	40	IHBB	
COc1ccc([C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1	9469260	INXOYRANDPCCHD-QGZVFWFLSA-N	447.435	3.612	5	40	IHBB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccccc1Cl	12610245	NTRONGKSSJNMFJ-UHFFFAOYSA-N	425.876	3.557	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1	22392847	GVRSJZSQGMOKKL-UHFFFAOYSA-N	449.485	3.938	5	40	IHBB	
CN(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1	224410099	DMDHAFBOCCMYFP-UHFFFAOYSA-N	425.466	3.668	5	40	IHBB	
CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1	1062317	DIRRWUSLDBXNFR-VUUXHMSQSA-N	440.455	3.870	5	40	IHBB	
O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)NC[C@@H]1CCCO1	9127396	KJDAYXMBODUXRL-IBGZPJMESA-N	438.509	3.835	5	40	IHBB	
O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1	9413748	XKPVCWHQQRSDDI-LJAQVGFWSA-N	434.836	3.588	5	40	IHBB	
COc1ccccc1-n1nnnc1Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]	9439629	OAOGVLMMACYXKD-UHFFFAOYSA-N	433.449	3.961	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1	17097233	RVNGJOYTCWYMMJ-UHFFFAOYSA-N	430.892	3.868	5	40	IHBB	
CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1	224885216	SFAKHRZKWVGIMD-UHFFFAOYSA-N	429.292	3.890	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408686002	QVLYREFXBLNRAD-OALUTQOASA-N	441.871	3.981	5	40	IHBB	
O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	10334240	VWZGNNIWISBBKH-QFIPXVFZSA-N	432.480	3.640	5	40	IHBB	
CCCCCN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1nc(C)c(C(=O)OCC)s1	11232930	YUYPXVGITABBDF-UHFFFAOYSA-N	437.522	3.573	5	40	IHBB	
CN(C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	11614626	UFXUBPUQNXRGCO-NRFANRHFSA-N	443.459	3.961	5	40	IHBB	
COc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1	25115108	QREKJQDHQHHBIR-UHFFFAOYSA-N	448.497	3.525	5	40	IHBB	
Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1	4178309	MUVNRVLZPZBNRM-UHFFFAOYSA-N	444.399	3.744	5	40	IHBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)NCC(F)(F)F	8685340	XKBZINFSVGRRSB-UHFFFAOYSA-N	445.781	3.696	5	40	IHBB	
Cc1cc(=O)c(C(=O)N(C)Cc2c(F)cccc2Cl)nn1-c1ccccc1[N+](=O)[O-]	9670977	LQUAHEASINZOOU-UHFFFAOYSA-N	430.823	3.514	5	40	IHBB	
COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nn1	22484698	GJIWHWHSGJQQFS-INIZCTEOSA-N	433.468	3.916	5	40	IHBB	
COc1ccc(NC(=O)CSc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)c([N+](=O)[O-])c1	408583409	UIKWPWZPLFACHF-UHFFFAOYSA-N	443.529	3.920	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1	9704120	SBTDEOZQLIHELI-UHFFFAOYSA-N	448.431	3.938	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222529383	SUHLOCIZTLDTMC-JXFKEZNVSA-N	433.530	3.634	5	40	IHBB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	223067218	OLLOPNXNDYWBAI-LEWJYISDSA-N	437.525	3.790	5	40	IHBB	
COc1ccc(C)cc1NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1	9540285	JSVPDYKJMOUNDL-QGZVFWFLSA-N	428.470	3.659	5	40	IHBB	
O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	10334236	VWZGNNIWISBBKH-JOCHJYFZSA-N	432.480	3.640	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12	13625093	HBIYUJWQOMLMIR-UTSGNWPNSA-N	446.438	3.505	5	40	IHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2Br)NC(=O)N1	15911771	HPDRHVMJQZJSBW-MRXNPFEDSA-N	431.246	3.624	5	40	IHBB	
Cc1cc(S(=O)(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1F	95443896	JIVNUFLIZLEZKK-JTQLQIEISA-N	440.840	3.785	5	40	IHBB	
CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1	222529529	CXJLEZUZQSZLIT-WOJBJXKFSA-N	433.530	3.715	5	40	IHBB	
O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3O)c2)o1	408600060	SMORCAVQBWZZKI-UHFFFAOYSA-N	444.783	3.822	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C	873998	ASMCYWVYTGXTCH-UHFFFAOYSA-N	430.465	3.514	5	40	IHBB	
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nncs1	2401504	MTSBPDXKDSXNQA-OAHLLOKOSA-N	440.824	3.956	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1	10314301	LWBAGJZMAFZITJ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(NCCc1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1	13129670	WZIGWCITADBHRN-UHFFFAOYSA-N	443.503	3.696	5	40	IHBB	
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c1	13810677	OZVWQMZSXNUHBB-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1	40069680	TYYIRNICFRSZCM-HIFRSBDPSA-N	446.301	3.930	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-]	224771011	RBXRFWDFWDXMSE-UHFFFAOYSA-N	442.449	3.975	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2	408583837	XGJWRCNMZGHXFH-UHFFFAOYSA-N	428.392	3.632	5	40	IHBB	
Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C	9064795	IQEDQBRHGJUDOF-UHFFFAOYSA-N	443.485	3.847	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1	33705776	DSLZFHONBGROJY-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1	3610096	ZYABPXPHNSENOH-CYBMUJFWSA-N	437.905	3.921	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	6146428	YNWGUKOOSKESHR-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
CCc1c(C(=O)N2CCCN(Cc3cccs3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1	40089146	VYXXOPIJXSVMLP-UHFFFAOYSA-N	439.541	3.753	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	58160159	MPGKGSOQFJYAHQ-AWEZNQCLSA-N	433.306	3.507	5	40	IHBB	
COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409141619	JGTLUTATLHCEPV-XDHOZWIPSA-N	444.465	3.865	5	40	IHBB	
CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	2746321	DVZGQEIWFBRGBC-CQSZACIVSA-N	441.498	3.690	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c([N+](=O)[O-])c1	8948570	OUDHYFCWFVBEDL-QHCPKHFHSA-N	438.484	3.606	5	40	IHBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2csc(-c3ccccc3)n2)CC1	12781081	JAVFIKQRWIXWSP-UHFFFAOYSA-N	438.509	3.827	5	40	IHBB	
C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	13572767	QKSFQNZNHONZEP-SECBINFHSA-N	427.471	3.504	5	40	IHBB	
O=C(OCc1nc(COc2ccc(F)cc2)no1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	23373492	LSJFPNHEODYPCQ-UHFFFAOYSA-N	442.403	3.653	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N(C)Cc1ccccc1	9631272	ARXDNIDUJKRUKJ-ZDUSSCGKSA-N	439.390	3.616	5	40	IHBB	
C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(-c2ccccc2)cc1	10387193	ZQMZHMGLCHGPRI-OAHLLOKOSA-N	429.432	3.735	5	40	IHBB	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)CSc1[nH]nc(C)c1[N+](=O)[O-]	15974275	CEMWBJGQZUBVPS-UHFFFAOYSA-N	434.909	3.872	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1	17784497	MNUHBILPENDACX-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl	220364070	RHGIVVAIHOQDOO-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)c1	224016979	NCFJXYPGPMNDQZ-QGZVFWFLSA-N	439.512	3.622	5	40	IHBB	
C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2([O-])C1	252462366	RTQDXHMAHWNJLQ-IMNHPGOESA-N	445.644	3.899	5	40	IHBB	biogenic
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	408996902	BKAGMEKTTZBGSQ-LJQANCHMSA-N	440.452	3.683	5	40	IHBB	
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1	8774424	ZYKURNWGLNKKRW-UHFFFAOYSA-N	428.832	3.846	5	40	IHBB	
CSCC[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	9704686	VUMTULLTVKRWBH-QGZVFWFLSA-N	436.497	3.881	5	40	IHBB	
CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C1CCOCC1	72307289	FCVPYSXXYSQNFP-SFHVURJKSA-N	425.551	3.777	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	102760354	QYGAIPNYDYKXHJ-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2	260935052	OJUVNMMQBZKZPR-HOTGVXAUSA-N	445.541	3.506	5	40	IHBB	
COC(=O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C)cc1	12730665	FMYXMWPJRUEUTP-OAQYLSRUSA-N	428.488	3.884	5	40	IHBB	
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1	56945731	JPTOEZMJKYFOPY-NRFANRHFSA-N	438.459	3.620	5	40	IHBB	
Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	109020713	LWQDMSIMTWIJKY-UHFFFAOYSA-N	441.465	3.722	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408688668	WMISJYVUICPZGG-ROUUACIJSA-N	441.871	3.981	5	40	IHBB	
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1cccc([N+](=O)[O-])c1	8739838	WVCNXBZKIBLYLI-QGZVFWFLSA-N	435.417	3.916	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1	19159442	QOXBKAMVVCSQQU-UHFFFAOYSA-N	441.465	3.681	5	40	IHBB	
COc1cccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1	19928596	JQPBRLHULORDJA-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
NC(=O)CCc1nnc(SCc2nc3ccccc3c3ccccc23)n1C[C@H]1CCCO1	28945970	FJNMSDXQTVBNFI-MRXNPFEDSA-N	447.564	3.869	5	40	IHBB	
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	36654293	GGBJAHBDTAMPEZ-QGZVFWFLSA-N	442.825	3.616	5	40	IHBB	
CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	220397654	HOGNSEGFAVGNDR-PXNSSMCTSA-N	447.557	3.942	5	40	IHBB	
COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Br	224887534	AFUOBDKYDHPIRE-UHFFFAOYSA-N	435.683	3.844	5	40	IHBB	
CCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	2149888	LMWZHLNXKSVROZ-XUZZJYLKSA-N	446.507	3.951	5	40	IHBB	biogenic
Cc1cc(C)n2nc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)nc2n1	9536076	HCYPQYCIMODNBK-UHFFFAOYSA-N	441.498	3.504	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1	9714672	CPRWASPSZCGHHJ-UHFFFAOYSA-N	439.497	3.843	5	40	IHBB	
COc1ccc(-c2ccc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nn2)cc1OC	12140452	OIWZPHZYDTZSNB-UHFFFAOYSA-N	426.454	3.800	5	40	IHBB	
Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl	20410929	CLAPDYITDRBRJX-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1	57247672	NWSYAVTYFICFAI-UHFFFAOYSA-N	446.507	3.935	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	408669593	XBRQROSTMMZMMV-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCOCC1	9907816	KQBGCPCPSJALOZ-UHFFFAOYSA-N	447.875	3.904	5	40	IHBB	
O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	17098806	GNYMRCBJUJNHCL-UHFFFAOYSA-N	434.477	3.903	5	40	IHBB	
CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	22375312	GWISWXOUQSAXPG-LJQANCHMSA-N	433.530	3.554	5	40	IHBB	
COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	224282185	YLQUPMDBQPBSAS-UHFFFAOYSA-N	441.465	3.681	5	40	IHBB	
O=C(O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	226334777	QAGYQQIFDGONEN-XBXARRHUSA-N	425.178	3.876	5	40	IHBB	
C[C@@H](Sc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)C(=O)N1CCOCC1	21263764	QFGLUVPSGFPHSG-MRXNPFEDSA-N	438.509	3.787	5	40	IHBB	
Cc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1	57984744	RXNYUVQUHQNQCU-UHFFFAOYSA-N	436.512	3.538	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C	10313958	UVJHGRJKVICWGT-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)nc12	19644446	OHQDZBQKWZKRKS-UHFFFAOYSA-N	446.452	3.917	5	40	IHBB	
Cn1c(CCN2CCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	9110235	RUZXFDLVFQPARD-UHFFFAOYSA-N	437.500	3.527	5	40	IHBB	
Cc1cc(NC(=O)COc2ncnc3ccc(Br)cc23)c([N+](=O)[O-])cc1C	9953103	HWOQVWXVYHODGS-UHFFFAOYSA-N	431.246	3.935	5	40	IHBB	
O=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225034108	JYHACJGXOVOFQX-UHFFFAOYSA-N	438.767	3.547	5	40	IHBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(F)cc1	96769309	BLGFHWFDAHQYGL-UNOMPAQXSA-N	443.456	3.807	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1	14135354	HIVNAPSETNIMKW-UHFFFAOYSA-N	431.514	3.865	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC	19631102	NTLPFNURKOHOOB-UHFFFAOYSA-N	440.275	3.501	5	40	IHBB	
CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2O)c([N+](=O)[O-])c1	5159031	HQJDSFSMUIFQCH-UHFFFAOYSA-N	443.481	3.784	5	40	IHBB	
Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]	20291600	XUNVVVVVQTZLDG-UHFFFAOYSA-N	439.907	3.686	5	40	IHBB	
O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1	864519	DGWVBMHMDWKKSD-HNNXBMFYSA-N	429.317	3.794	5	40	IHBB	
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	10253070	ZRBJVMQVVIYURW-UHFFFAOYSA-N	431.495	3.693	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1	11667300	ZUXWGGGBSBIPCI-HUUCEWRRSA-N	447.513	3.522	5	40	IHBB	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1[N+](=O)[O-]	12491748	XYEDPFBTAIIIOP-UHFFFAOYSA-N	436.453	3.620	5	40	IHBB	
CC(C)Cn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21	17016490	QABCSIZUPYFZOR-UHFFFAOYSA-N	425.470	3.950	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c(Br)c1	20611600	KXJYZHDWSYTIDE-QPJJXVBHSA-N	432.274	3.846	5	40	IHBB	
CC[C@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222539638	HERXELORNOLOTH-GOSISDBHSA-N	425.551	3.677	5	40	IHBB	
CCOc1ncccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13521936	PRAILFIPPHRUOO-SNVBAGLBSA-N	427.335	3.591	5	40	IHBB	
CCSc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220396754	VQULLISVDRCBLT-CQSZACIVSA-N	437.543	3.808	5	40	IHBB	
C[C@H](NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1	828595	SCGYVEFHWKCGPE-KSFYIVLOSA-N	443.459	3.680	5	40	IHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Br)c(O)c(Br)c1	838279	WSIIPXJVSXETTI-UHFFFAOYSA-N	442.019	3.626	5	40	IHBB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12	8398933	FMOIVYBTUIZPDN-KRWDZBQOSA-N	425.397	3.948	5	40	IHBB	
CC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1	17096186	JWULKNAXMNCKJA-VQHVLOKHSA-N	428.876	3.569	5	40	IHBB	
Cc1sc2nc(-c3cc(I)c(O)c([N+](=O)[O-])c3)nc(O)c2c1C	63836854	UWFIBULYPWRIGR-UHFFFAOYSA-N	443.222	3.899	5	40	IHBB	
CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222532195	VIJRGMKILRDCPA-MRXNPFEDSA-N	425.894	3.740	5	40	IHBB	
CC[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	2746320	DVZGQEIWFBRGBC-AWEZNQCLSA-N	441.498	3.690	5	40	IHBB	
O=C(CSc1nnc(NC(=O)NC2CCCCC2)s1)Nc1cccc([N+](=O)[O-])c1	9743867	WLWLTIVSGBBGAN-UHFFFAOYSA-N	436.519	3.631	5	40	IHBB	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	13165243	YFWXNJXEYBQBIW-UHFFFAOYSA-N	428.470	3.952	5	40	IHBB	
CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	17094892	VAMARCFFZDFTOT-UHFFFAOYSA-N	426.498	3.915	5	40	IHBB	
CC(C)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	17095912	WUEQESUUJUDUFC-UHFFFAOYSA-N	428.514	3.682	5	40	IHBB	
O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccc([N+](=O)[O-])cc1Cl	24766308	MFGKHURXXUOWHR-UHFFFAOYSA-N	429.610	3.512	5	40	IHBB	
O=C1[C@H]2[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1Cc1ccccc1	102758310	UGOQNYOQKXHMQB-BHDDXSALSA-N	429.432	3.642	5	40	IHBB	
COc1ccc(-c2csc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])n2)c(OC)c1	32910165	DEOLYBMVPPQDIV-UHFFFAOYSA-N	433.417	3.892	5	40	IHBB	
Cc1c(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-]	89540499	FYVWZNBBSIAQLR-FMIVXFBMSA-N	441.465	3.627	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc([N+](=O)[O-])c1	409129143	UOKZHCNDQQFZOP-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCc1ccc([N+](=O)[O-])cc1	9934926	CKDBEBGMZGCAQR-NRFANRHFSA-N	444.451	3.628	5	40	IHBB	
CCN1C[C@H](CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)Oc2ccccc21	12731735	SVOPGPQWFLKYEW-IBGZPJMESA-N	441.531	3.901	5	40	IHBB	
COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1Cc1ccccc1	12907201	IXRDROQDVUGNMV-UHFFFAOYSA-N	440.477	3.850	5	40	IHBB	
O=C(Nc1cccc2ccccc12)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12913076	HFBFRYAYWLCKSO-OAQYLSRUSA-N	439.493	3.930	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N2C(=O)[C@H](C)SC2=N1	3636653	DNWXTKUEXRAZRK-IFXJQAMLSA-N	437.477	3.987	5	40	IHBB	
CCCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	8770778	LMWZHLNXKSVROZ-QPPBQGQZSA-N	446.507	3.951	5	40	IHBB	biogenic
COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	9209851	QZJPUMMCLCPFHZ-JRFVFWCSSA-N	439.512	3.910	5	40	IHBB	
COc1ccc(CCCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1	9327582	WBWJKQYSXGFWBU-UHFFFAOYSA-N	426.498	3.882	5	40	IHBB	
Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1CCc1ccc(F)cc1	2725911	DYZSRJJOFBDNPN-UHFFFAOYSA-N	448.454	3.988	5	40	IHBB	
O=C(OCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	12564016	WGVDDMVHHJMBNF-UHFFFAOYSA-N	425.466	3.912	5	40	IHBB	
CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12	20675259	PJBXKBVOSNXKSI-PMACEKPBSA-N	436.468	3.860	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3nncc3C(F)(F)F)cc2)ccc1Cl	58180338	HUJDFJHEZCOBGZ-UHFFFAOYSA-N	447.782	3.649	5	40	IHBB	
CCCN(CCC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	95682002	SAOMGZYUCUIHAP-UHFFFAOYSA-N	442.384	3.885	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224778237	GHHMTVJCYCRYOD-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1	12950515	ZWMYPYRZVMVGFD-AWEZNQCLSA-N	444.852	3.691	5	40	IHBB	
Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1	13083881	VGXBPSYLTQAABT-MRXNPFEDSA-N	428.470	3.522	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C3CCCCC3)CC2)cc1	13503722	PAIJYIYJVDTXOF-HSZRJFAPSA-N	447.543	3.998	5	40	IHBB	
Cc1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cccc1[N+](=O)[O-]	23243939	XNFJEWFRHCBAMT-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCC1	26115198	LDTVRTKWGGJXHF-UHFFFAOYSA-N	435.527	3.662	5	40	IHBB	
O=C(N[C@@H](C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1	4031802	JPJRDEIWABVRAM-MHZGPWMTSA-N	425.529	3.922	5	40	IHBB	
COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1	9008843	ULSODERYZGWMKO-UHFFFAOYSA-N	447.495	3.573	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	10314911	SCECVCSFUJWREQ-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])c(F)cc3Br)CCCCC2)no1	58263861	BBHRVUBEJHWVOK-UHFFFAOYSA-N	427.230	3.777	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408688089	VSLBNNYPAWZLNE-HZPDHXFCSA-N	439.855	3.757	5	40	IHBB	
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1	12808342	JXYWSEQZWHAIIO-VQHVLOKHSA-N	427.888	3.816	5	40	IHBB	
COC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl	13300920	IQTAGUYRDNNASI-MRVPVSSYSA-N	436.104	3.587	5	40	IHBB	
CCn1c(COc2ccccc2OC)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	35080052	QVBGHRIMTFJQDW-UHFFFAOYSA-N	428.470	3.769	5	40	IHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1OC	40062783	OXTTZOMXBVMIAK-UHFFFAOYSA-N	441.362	3.547	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260513010	ZHGMIJINILINQG-OXQOHEQNSA-N	433.530	3.634	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408676195	AKXUOMWMKJEZJK-HDICACEKSA-N	439.855	3.757	5	40	IHBB	
O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(I)cc1	3165397	DKLSXOQTXQCUDJ-UHFFFAOYSA-N	432.601	3.870	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O	10337415	AEFQFPCQNPSEAU-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)CC1=O	10461907	SQGNKWNOMCHVLD-QGZVFWFLSA-N	438.484	3.743	5	40	IHBB	
Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	12579815	RMJUVNRKSXATDT-MRXNPFEDSA-N	440.403	3.823	5	40	IHBB	
O=C(NCc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	14094899	LBSSZVHYCFWHRH-UHFFFAOYSA-N	426.370	3.785	5	40	IHBB	
Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1[N+](=O)[O-]	2678897	OKWRFQWEOKLAQC-UHFFFAOYSA-N	434.455	3.705	5	40	IHBB	
C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@@H]1CCCO1	8792362	SNFQBHRFUKTLQS-RDJZCZTQSA-N	441.487	3.654	5	40	IHBB	biogenic
COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	409179604	SUVKMMOLKVVFLJ-UHFFFAOYSA-N	432.388	3.761	5	40	IHBB	
CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	409368329	YJAMZCRJGTZOJG-UHFFFAOYSA-N	438.230	3.804	5	40	IHBB	
C[C@H](Sc1nnc(Cc2ccccc2F)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	12757233	CPGFQAIFRFQKPW-NSHDSACASA-N	441.448	3.533	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1[N+](=O)[O-]	19629653	ISVVEXSRBQEPLX-UHFFFAOYSA-N	439.497	3.661	5	40	IHBB	
CCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	409174017	PRNFLRJRVIBLLR-MHWRWJLKSA-N	446.257	3.849	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	409177935	HGDZMLQXNAAXAQ-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2	3241876	AFRORUZFLDNCKQ-UHFFFAOYSA-N	435.436	3.826	5	40	IHBB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3415679	DAJTUOLQBGDEPI-UHFFFAOYSA-N	437.330	3.573	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1	9210499	UGOQNYOQKXHMQB-VSKRKVRLSA-N	429.432	3.642	5	40	IHBB	
CCCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1	58157471	KUYWDDJFOHAPPW-GOSISDBHSA-N	427.526	3.582	5	40	IHBB	
O=c1sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccccc1	225742377	BBGNJMNQSPGLPB-UHFFFAOYSA-N	441.490	3.820	5	40	IHBB	
O=C(CN(C(=O)c1ccccc1C(=O)O)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1	896461	REMWWIHFEPMNIW-UHFFFAOYSA-N	425.441	3.707	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(C)s1)C3=O	1876938	GDXGDMGOEMTSDD-QGZVFWFLSA-N	434.433	3.919	5	40	IHBB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	3199271	JDLHZSBHEVZHOH-UHFFFAOYSA-N	435.502	3.666	5	40	IHBB	
Cc1ccc(O[C@@H](C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	12781597	YBCGZLPZDIKXPF-ZDUSSCGKSA-N	447.494	3.599	5	40	IHBB	
Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1C(=O)O	17094382	ZVQXIEVFCQCTEE-UHFFFAOYSA-N	425.422	3.988	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	32043288	AUOXJNODWVHHKH-UHFFFAOYSA-N	430.468	3.855	5	40	IHBB	
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCO2	32127891	WDUYWXGEFOXALE-UHFFFAOYSA-N	428.451	3.574	5	40	IHBB	
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc(F)c1	100893361	ITTYFZLFRMYERU-CTNGQTDRSA-N	430.395	3.516	5	40	IHBB	
Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	3662627	IOYDTUREJUJYDX-OAQYLSRUSA-N	444.447	3.900	5	40	IHBB	
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1	15142435	ZMJWDRMRBRVIRB-FQEVSTJZSA-N	437.493	3.564	5	40	IHBB	
Cc1[nH]nc(O)c1C(c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1c(O)n[nH]c1C	409080163	MFCONNCGJPKALK-UHFFFAOYSA-N	435.440	3.828	5	40	IHBB	
Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1	11480790	PESYQKVVVPRINJ-SFHVURJKSA-N	426.816	3.883	5	40	IHBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3c(Br)c(C)nn3C)nc12	17095709	JMMPDOZKUGHBCU-UHFFFAOYSA-N	428.319	3.975	5	40	IHBB	
O=C(Nc1cccc(C(F)(F)F)c1)OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	52521499	VZRQZBWVOBHXSM-UHFFFAOYSA-N	438.406	3.984	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCCCCCC1)S(C)(=O)=O	222376474	JQTWXAIZANGNAU-UHFFFAOYSA-N	425.551	3.679	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	222505243	VZCZQSJDVVMIAS-INIZCTEOSA-N	429.857	3.571	5	40	IHBB	
CCOC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225016094	NKHLMRGTEXQJPP-UHFFFAOYSA-N	448.497	3.675	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1[N+](=O)[O-]	3332799	PEZRBSBTWPXJTA-UHFFFAOYSA-N	439.424	3.883	5	40	IHBB	
CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1	4089588	JVZOAYHQDGJUPI-UHFFFAOYSA-N	431.470	3.687	5	40	IHBB	
COc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)c1	102764139	OZVWQMZSXNUHBB-FDFHNCONSA-N	445.431	3.655	5	40	IHBB	
CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222537863	RJFGSPVDHPNISM-GOSISDBHSA-N	433.530	3.957	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223773063	GBUSWMGLCJUWQV-HNNXBMFYSA-N	433.505	3.521	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223923798	CNKFOPCBJRVHKR-CYBMUJFWSA-N	438.311	3.998	5	40	IHBB	
CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225217919	FAVMGVNDEVEMQU-LJQANCHMSA-N	447.557	3.585	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2)cc1	408570565	LJRHXDPAEFWPGN-XNHCRPTKSA-N	429.476	3.834	5	40	IHBB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	409199048	AWEOWOACBUGIIB-GPLLRDDGSA-N	429.454	3.764	5	40	IHBB	
CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1	409339536	JVNIGLHQDJFDAI-UHFFFAOYSA-N	441.513	3.904	5	40	IHBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(C(C)=O)c1	9442454	YWNXEXVFDRVHOL-SFHVURJKSA-N	449.916	3.941	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1	36390276	MYVOQYYQDHJDSU-LEWJYISDSA-N	444.557	3.849	5	40	IHBB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1	102761011	LEDCWLZFYZHCKR-PCCBWWKXSA-N	433.395	3.785	5	40	IHBB	
O=C(N[C@H](C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1	4031803	JPJRDEIWABVRAM-WWKNUYBVSA-N	425.529	3.922	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl	8645320	UXXCKHPQZYOUSD-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)s1	40105252	UFKINQSIKWPHPN-UHFFFAOYSA-N	425.535	3.630	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1	222367507	SSRLTBHJACZDOO-KRWDZBQOSA-N	433.530	3.635	5	40	IHBB	
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1c2ccccc2cc2ccccc12	3229924	QLZCDNDQLWEOAI-UHFFFAOYSA-N	442.471	3.727	5	40	IHBB	
O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	9064666	QIWSTZULNSHSKQ-UHFFFAOYSA-N	447.448	3.759	5	40	IHBB	
Cc1cc(C(=O)Nc2cc(-n3c(C)nc4ncccc4c3=O)ccc2F)ccc1[N+](=O)[O-]	15881364	JVAVMDIQCKAFMQ-UHFFFAOYSA-N	433.399	3.697	5	40	IHBB	
CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	16042233	OLXMLQFLHYUYDF-NFBKMPQASA-N	432.480	3.561	5	40	IHBB	biogenic
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	220392808	RKHOOBZKGOZSKK-DLBZAZTESA-N	433.530	3.552	5	40	IHBB	
COc1c(Br)cc(Br)cc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-]	409309884	NPBZIIWPYWRVAR-IHWYPQMZSA-N	447.039	3.500	5	40	IHBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1	8997682	ZWLRJCRKSYCLSV-UHFFFAOYSA-N	444.831	3.649	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1	9117672	PUFTWHYBFNHWFO-HNNXBMFYSA-N	447.513	3.917	5	40	IHBB	
C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCC(=O)Nc2ccccc2)n31	9500395	KEQZGAMJOMOOFY-GFCCVEGCSA-N	449.565	3.842	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)Nc3cccnc3Cl)cc2[N+](=O)[O-])CC1	9661893	LEDOBNNTSFPHQN-UHFFFAOYSA-N	432.864	3.675	5	40	IHBB	
O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-]	19643552	ZRZISLSRZDYANG-ZDUSSCGKSA-N	445.526	3.825	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1	24773825	VTQKXNBUTKQIHA-UHFFFAOYSA-N	447.494	3.788	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)sc1Cl	40152945	ZUNHSDUKNVEQDF-UHFFFAOYSA-N	444.840	3.867	5	40	IHBB	
CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222539578	HERXELORNOLOTH-SFHVURJKSA-N	425.551	3.677	5	40	IHBB	
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	8684038	MQSPQRUFWOKPAZ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	aggregator
CC(C)OC(=O)COc1cc(OCC(=O)OC(C)C)c2c(=O)c3ccccc3oc2c1	8789174	MBBSSDDWHLICDB-UHFFFAOYSA-N	428.437	3.607	5	40	IHBB	biogenic
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	11667304	IQDYCUBWFYTYQL-GJZGRUSLSA-N	447.513	3.522	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	24161897	XJUGTGSKIJKRPX-UHFFFAOYSA-N	437.433	3.513	5	40	IHBB	
C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O	37019031	DYCVHPNIVNFPDL-YLGBQOPLSA-N	429.454	3.684	5	40	IHBB	
Cc1cc(=O)c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)nn1-c1ccccc1F	89568469	AQMPXHPLNDYOGH-UHFFFAOYSA-N	447.220	3.603	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCCN1CCCC1=O)c1ccccc1	9283082	NHTHFYGGSRXLBL-FQEVSTJZSA-N	430.892	3.530	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	10903126	KKPXVVNVHZMJHJ-UHFFFAOYSA-N	426.860	3.892	5	40	IHBB	
Cc1c(Cl)cccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17099241	WRFLYSSYRUYUCI-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222519883	TWVLXRUXNCRDPY-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)C)cc2)no1	223596744	QLDUGVVLYLLTHB-UHFFFAOYSA-N	430.486	3.897	5	40	IHBB	
Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	409176461	OCKLLSPAGOMEGO-UHFFFAOYSA-N	441.421	3.897	5	40	IHBB	
CN1CCN(c2ccc(C(=O)NCCC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1	8427692	XKDXKWFHAOPMJK-UHFFFAOYSA-N	426.561	3.683	5	40	IHBB	
Cn1/c(=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(S(C)(=O)=O)ccc21	9444889	KKDUEFQMIQVJDP-HNENSFHCSA-N	447.519	3.507	5	40	IHBB	
Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1	10902704	RBIXQWKDIYOOMN-UHFFFAOYSA-N	431.905	3.762	5	40	IHBB	
CC(C)(C)NS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	12735080	DWBRMDVDWXOIQE-UHFFFAOYSA-N	433.515	3.608	5	40	IHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	17099708	PSDIMKAKSDGOOS-UHFFFAOYSA-N	435.736	3.906	5	40	IHBB	
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1Cl	39199098	XUELFXDEWICDAJ-CXUHLZMHSA-N	449.847	3.854	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O	408694939	KMHYUHXCSHCQQN-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
Cc1ccc(C2=N/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)cc1[N+](=O)[O-]	8456538	FMPCNDSJPROSQE-MLPAPPSSSA-N	432.186	3.918	5	40	IHBB	
C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCC(=O)Nc2ccccc2)n31	9500401	KEQZGAMJOMOOFY-LBPRGKRZSA-N	449.565	3.842	5	40	IHBB	
O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)o2)cc1	12374360	RKMWCRAWUCGQPQ-UHFFFAOYSA-N	446.510	3.722	5	40	IHBB	
C[C@H](C(=O)N[C@H](Cc1ccccc1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12951219	CEMDWHRMETWFOW-OXQOHEQNSA-N	443.459	3.680	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)c1	18189250	KVWRTGLPXOMTMP-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-]	19164831	RRKVLMUOPKYROC-UHFFFAOYSA-N	437.905	3.596	5	40	IHBB	
CCCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1	22257418	VIGQJENJHORBJB-UHFFFAOYSA-N	440.456	3.779	5	40	IHBB	
Cc1ccc(-c2csc3ncn(C[C@H](O)COc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1	32854225	QRCOWNZEKYRHER-KRWDZBQOSA-N	437.477	3.782	5	40	IHBB	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	78985751	AAOWRSPNCDUAHK-NDHGSNPTSA-N	425.304	3.928	5	40	IHBB	
O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	205656958	FPBQQRCCJQJXSB-AYSLTRBKSA-N	434.813	3.919	5	40	IHBB	
COc1cc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1[N+](=O)[O-]	219822379	DDIKROMMNUZUDO-UHFFFAOYSA-N	449.463	3.593	5	40	IHBB	
COCCn1c(-c2ccc(Br)cc2)nc2oc3ccccc3c(=O)c2c1=O	2196620	FXIHFWUFLOLJIB-UHFFFAOYSA-N	427.254	3.579	5	40	IHBB	
CCCCOc1ccc(C(=O)NOCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC	2650011	XGEVNMBHAOEBHQ-UHFFFAOYSA-N	432.429	3.510	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1	9439128	DFLJWUZDXWZJSF-UHFFFAOYSA-N	437.408	3.852	5	40	IHBB	
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	95909134	JPFAGBAZQUWDQJ-OTWHNJEPSA-N	429.860	3.895	5	40	IHBB	
Cc1cccc(CCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	222377412	AKBRRCACSWYICS-UHFFFAOYSA-N	447.557	3.507	5	40	IHBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-]	224674830	UUDGTETUEXDNKU-MRXNPFEDSA-N	427.476	3.753	5	40	IHBB	
Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1	408596590	SGBSCFFFPGFRFT-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409177502	GEECUEBQVISTPV-UHFFFAOYSA-N	442.405	3.693	5	40	IHBB	
Cc1ccc(C2=N/C(=C\c3cccc(I)c3)C(=O)O2)cc1[N+](=O)[O-]	13929801	XJFMVWZICNEKBO-ZSOIEALJSA-N	434.189	3.852	5	40	IHBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	26843323	OTPIDYGLRBGDOJ-UHFFFAOYSA-N	448.262	3.970	5	40	IHBB	
C[C@@H]1CC[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N+]2(O)C1	103632997	ZSDBUJBJWGVNKA-CNTYVZLOSA-N	446.652	3.790	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1	408568092	HPWNXLOKVIVRFF-GLWCMYJFSA-N	429.476	3.834	5	40	IHBB	
C[C@H]1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)O1	9067077	FMFLTPRZTDLLPY-GASCZTMLSA-N	430.482	3.539	5	40	IHBB	
CCc1ccc(NC(=O)CN2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1	57061323	JUSHSLDQZTXENN-UHFFFAOYSA-N	425.514	3.528	5	40	IHBB	
COc1ccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1	218126952	QVWHFMFJNAMNCD-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1	222367588	UXELZQUEIMRDND-HXUWFJFHSA-N	433.530	3.717	5	40	IHBB	
CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc(OC)cc(OC)c1	408675102	RQQGRRVGEZZIBK-UHFFFAOYSA-N	428.470	3.865	5	40	IHBB	
CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	8606711	QPNFWRLGZQNUQO-UHFFFAOYSA-N	437.500	3.968	5	40	IHBB	
COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	59515287	OBAMQCXTYDMGCA-UHFFFAOYSA-N	445.453	3.892	5	40	IHBB	
Cc1c(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cccc1[N+](=O)[O-]	10008720	WUBBORIQPSSIQP-UHFFFAOYSA-N	445.541	3.516	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O	10366271	BVSQGOCLQHCMQW-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
O=C(Cn1nnc(-c2cccc(Cl)c2)n1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	31732596	ZOBGLPSWHNSCNX-UHFFFAOYSA-N	426.742	3.559	5	40	IHBB	
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl	101247112	FTUZTBGSPJBHTK-UHFFFAOYSA-N	447.926	3.503	5	40	IHBB	
CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O	205693378	BNYDBPOEFZQBLP-WOJGMQOQSA-N	442.449	3.773	5	40	IHBB	
Cc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)O2)cc1[N+](=O)[O-]	15135272	NFNTUHDCFURQNL-ZSOIEALJSA-N	434.189	3.852	5	40	IHBB	
O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-]	19643556	ZRZISLSRZDYANG-CYBMUJFWSA-N	445.526	3.825	5	40	IHBB	
O=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)c1	96111287	MKCRDLCKAJMKBF-UHFFFAOYSA-N	436.081	3.921	5	40	IHBB	
CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260504013	BOMNQVPWNSRZCS-PMACEKPBSA-N	445.541	3.642	5	40	IHBB	
Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	10370881	GZUTYJPSTJFONV-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1C(=O)c2ccccc2C1=O	17097436	RRRFULLDQRHDLL-UHFFFAOYSA-N	431.404	3.965	5	40	IHBB	
COC(=O)C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1	32821080	QVBWJENQTJNFLS-IBGZPJMESA-N	425.485	3.540	5	40	IHBB	
O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	408603047	AKLHPYLBOJISMW-SFHVURJKSA-N	431.876	3.612	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408690143	ZTYUNLMPOLSLKE-RTBURBONSA-N	439.855	3.757	5	40	IHBB	
Cc1c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	9662693	ABOWCINXIWUEQV-MRXNPFEDSA-N	449.511	3.881	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccc([N+](=O)[O-])c1	409136561	XLCYMZVXQCEGAI-UHFFFAOYSA-N	442.457	3.821	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c(Cc2ccc(F)cc2)c(=O)[nH]1	1443202	LWDNHQZDOAPJNF-UHFFFAOYSA-N	442.472	3.756	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1cc(F)ccc1F	9439883	OQDSOPALRPPWCO-VIFPVBQESA-N	447.316	3.874	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1	11173033	WPSFXPZFBSEUCK-UHFFFAOYSA-N	428.514	3.669	5	40	IHBB	
CN1C(=O)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21	13732834	GLXOCJNYTLJXSA-OAQYLSRUSA-N	429.436	3.556	5	40	IHBB	
O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2	24996899	MJIKUKASDDJQJD-UHFFFAOYSA-N	431.876	3.839	5	40	IHBB	
CN(c1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1	32808452	CSHGRCCGCOKZNH-UHFFFAOYSA-N	442.428	3.999	5	40	IHBB	
COCCNc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-]	40068543	FVIKKTUENDYJDH-CQSZACIVSA-N	441.463	3.777	5	40	IHBB	
O=C(COCc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	48250239	RWQLGKLPPKOQTM-UHFFFAOYSA-N	440.887	3.662	5	40	IHBB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1	57317137	HUYWVOJURROJER-IZZDOVSWSA-N	436.512	3.941	5	40	IHBB	
C[C@H]1CN(c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2F)C[C@@H](C)O1	65490877	UHSHRXTZPHFIJE-GASCZTMLSA-N	426.448	3.941	5	40	IHBB	
COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1	95481734	SAVQKEGHSNRNBW-ZJSXRUAMSA-N	442.431	3.952	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1cccc(F)c1	408563533	AXAVPMJNMKYSAP-UWSFRGMNSA-N	447.466	3.973	5	40	IHBB	
O=[N+]([O-])c1ccc(Oc2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	409311356	FZVFUYLPUZSYFJ-CLTKARDFSA-N	441.312	3.575	5	40	IHBB	
O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	8965587	KTTMZVAVHMWKRZ-UHFFFAOYSA-N	447.369	3.682	5	40	IHBB	
COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	16268163	ZKHSKMJABIOKKC-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-]	48310057	LCAVVQLQISVMBQ-SFHVURJKSA-N	433.530	3.815	5	40	IHBB	
O=c1/c(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12	197586377	FPMFGRLQGUBVRA-BKUYFWCQSA-N	429.457	3.944	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1[N+](=O)[O-]	408653066	HOEGNOSSELVODC-QGZVFWFLSA-N	447.447	3.591	5	40	IHBB	
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1	21578202	STWGVRRWZMVRAX-UHFFFAOYSA-N	430.892	3.949	5	40	IHBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1F	106698467	LWWDIMSHWVENMK-UNOMPAQXSA-N	443.456	3.807	5	40	IHBB	
Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	223480656	FOQCTLYXVFVKHM-IAGOWNOFSA-N	433.530	3.552	5	40	IHBB	
C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	5025262	NQPKXBIPYNWBFY-NXTQRVMMSA-N	426.561	3.681	5	40	IHBB	
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[S@](=O)C2	9413768	FDPJGDGWHRJYCN-GDLZYMKVSA-N	430.873	3.757	5	40	IHBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1	12428570	QVRGDWSAAYRQOJ-UHFFFAOYSA-N	439.965	3.523	5	40	IHBB	
CCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21	101120803	DEVRRQMRDUEEDN-UHFFFAOYSA-N	435.915	3.512	5	40	IHBB	
C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	220415849	YQWMKULGIUDNRK-HOTGVXAUSA-N	447.557	3.924	5	40	IHBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222567845	STONGXNCYVAUEW-WIYYLYMNSA-N	425.529	3.902	5	40	IHBB	
COC(=O)[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)(C)C	78815357	YQAJZBKCWMQOSZ-MRXNPFEDSA-N	445.438	3.534	5	40	IHBB	
COc1ccc(N[C@@H](NC(=O)OC[C@@H]2CCCO2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	3163950	GXJWJLBKSOCACY-GWCFXTLKSA-N	442.683	3.617	5	40	IHBB	
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccc(Cl)cc2)CC1	59490037	CJVZYHBJARLJRM-QFIPXVFZSA-N	430.936	3.921	5	40	IHBB	
Cc1nnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc1O	18192102	CJRABECWDFUGGD-HNNXBMFYSA-N	431.861	3.919	5	40	IHBB	
Cc1csc(N2CCCN(c3ccc([N+](=O)[O-])c(I)c3)CC2)n1	95369491	AFQZTDFNQLYEGR-UHFFFAOYSA-N	444.298	3.681	5	40	IHBB	
CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	34931168	OBLWNGYUGLYPEF-UHFFFAOYSA-N	445.457	3.759	5	40	IHBB	
CCOC(=O)C1=C(C)N(C)[C@@]2(CC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)C1	96191959	RZJQXAHSVCTSCE-DEOSSOPVSA-N	448.479	3.913	5	40	IHBB	
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	2408494	ZELPWSOJRWOKDC-OAQYLSRUSA-N	435.480	3.978	5	40	IHBB	
CCN(CC)c1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])c2nonc12	8444445	MJJLPZYYONNMDS-UHFFFAOYSA-N	437.460	3.519	5	40	IHBB	
CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	17094833	SVJNDUXWCKUPGZ-UHFFFAOYSA-N	426.473	3.812	5	40	IHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	17095737	QAUMRQYAQWGXJV-UHFFFAOYSA-N	428.382	3.595	5	40	IHBB	
O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(Cl)cc1Cl	20142870	VZFVPRVBHYVQSH-UHFFFAOYSA-N	440.239	3.689	5	40	IHBB	
Cc1cccc(NC(=O)c2ccccc2NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1	408598729	AEWDUSAVYYJTIQ-UHFFFAOYSA-N	433.420	3.951	5	40	IHBB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	860560	ANXWCLKPEQELPO-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
CCOc1cc(Br)c(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OCC	9586578	QGUMQWVDIUIHOD-UHFFFAOYSA-N	449.257	3.951	5	40	IHBB	
O=[N+]([O-])c1cccnc1N1CCC([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)CC1	71889377	JGNNCGDYJZUGLV-FQEVSTJZSA-N	444.557	3.840	5	40	IHBB	
CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225217883	FAVMGVNDEVEMQU-IBGZPJMESA-N	447.557	3.585	5	40	IHBB	
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1	9708337	GRGQPJSCTPMJRP-IBGZPJMESA-N	436.493	3.515	5	40	IHBB	
COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	14668205	BDZWTUWRJGWLED-UHFFFAOYSA-N	426.450	3.617	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	19159165	GMDVGKLNSLGDEQ-UHFFFAOYSA-N	439.493	3.787	5	40	IHBB	
CC(C)n1nc(O)c2c(-c3ccc(OCC(N)=O)cc3)c3oc4cc(O)ccc4c3nc21	79497869	JJJZXHWJZIITFM-UHFFFAOYSA-N	432.436	3.854	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(F)cc1	102730200	WHVDSSFOLVXIRF-HKBOAZHASA-N	433.395	3.785	5	40	IHBB	
CN(CC(=O)NC(c1ccccc1)c1ccccc1)c1cc2ncnc(O)c2cc1[N+](=O)[O-]	571259750	DDAQYPXCIOJTRJ-UHFFFAOYSA-N	443.463	3.586	5	40	IHBB	
COc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC	9426476	DQXDJJUWDYJRDN-UHFFFAOYSA-N	427.457	3.927	5	40	IHBB	
CN1CCN(c2ccc(C(=O)NC34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)cc2[N+](=O)[O-])CC1	100310305	USSACIZHIQBDOP-YMZQTHOJSA-N	426.561	3.825	5	40	IHBB	
COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccco1	409188031	FGNLZDJFNUZFBO-WJDWOHSUSA-N	434.360	3.760	5	40	IHBB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2N)cc1	3528810	XSASVGPQXPBKSB-UHFFFAOYSA-N	444.492	3.735	5	40	IHBB	
C[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1[N+](=O)[O-]	9511982	KPPIQSMZVWWMDF-AWEZNQCLSA-N	442.428	3.677	5	40	IHBB	
CCN(Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccco1)c1ccccc1	11692008	OLYNUWYIICZKMV-UHFFFAOYSA-N	440.503	3.916	5	40	IHBB	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	12528183	ATRXRQKHBOXOKC-UHFFFAOYSA-N	446.454	3.964	5	40	IHBB	
CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	102409911	MVIYWXBZNLSIPB-UHFFFAOYSA-N	429.469	3.533	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	103517370	AVKPDODUWHDKSE-BURNTYAHSA-N	445.475	3.725	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	224041650	MRAFAASHLDLXSB-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1	409410806	QHNGTHZSNHEBCI-UHFFFAOYSA-N	443.456	3.876	5	40	IHBB	
O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1ccccn1	8792192	BDJFSBCONWRMCC-UHFFFAOYSA-N	434.455	3.682	5	40	IHBB	biogenic
COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1F	12988993	UPGDFFALGHVWID-UHFFFAOYSA-N	439.443	3.961	5	40	IHBB	
CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	223292219	LAMCQSVPILWKAJ-LEWJYISDSA-N	437.525	3.784	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21	604405556	QDQJBHNRFUPYAW-DDLLOKISSA-N	434.540	3.971	5	40	IHBB	biogenic
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	10119894	NFDUMGBESFQYQY-UHFFFAOYSA-N	430.833	3.675	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1	10334563	QVKOJIBJHSAEAI-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1	12584435	GZGBFNQQIDGKIQ-UHFFFAOYSA-N	447.494	3.543	5	40	IHBB	
COc1ccc([C@@H]2[C@H]3CC(C)(C)OCC3=NN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	13509944	UFFFDFKPRJCDEL-LAUBAEHRSA-N	439.468	3.980	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1	14410799	WQXQCMSDJBMDNB-UHFFFAOYSA-N	443.456	3.876	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	14629991	LQHMIVZEAKLPFY-UHFFFAOYSA-N	435.736	3.906	5	40	IHBB	
Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	20153059	YQPQVWBDTNCFBY-UHFFFAOYSA-N	442.497	3.719	5	40	IHBB	
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2	2400905	VSUYBZWZMQGEKE-UHFFFAOYSA-N	427.464	3.773	5	40	IHBB	
O=C(OCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1	9114235	JNJISPIUZCSOAE-UHFFFAOYSA-N	439.237	3.690	5	40	IHBB	
Cc1ccc(CNC(=O)[C@@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	10723363	GECAXLUVOOJLOU-GOSISDBHSA-N	428.488	3.711	5	40	IHBB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccc2c(c1)OCO2	12816930	MTCXVVLJOHEBBD-HXUWFJFHSA-N	439.424	3.820	5	40	IHBB	
Cc1c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cccc1[N+](=O)[O-]	19164662	YZQFYPPZYLMVDP-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1	20534084	LBMMBDUSDXKORV-UHFFFAOYSA-N	449.448	3.591	5	40	IHBB	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	78985747	AAOWRSPNCDUAHK-FTJNGKRUSA-N	425.304	3.928	5	40	IHBB	
COC(=O)c1cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc([N+](=O)[O-])c1	79071634	GTFKPBKBAZVXPB-UHFFFAOYSA-N	443.456	3.701	5	40	IHBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408679417	DYXVCPZKFOTQCJ-ZMYBRWDISA-N	439.443	3.713	5	40	IHBB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1	9632952	WWUVCJPHMAYVDE-UHFFFAOYSA-N	437.473	3.554	5	40	IHBB	
O=C(Nc1cccc(Br)c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187930	IQSQADFUIFDFGQ-UHFFFAOYSA-N	428.242	3.820	5	40	IHBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14269936	WUCSVAGAQPLWQN-UHFFFAOYSA-N	449.876	3.883	5	40	IHBB	
O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N[C@@H](Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1	15022323	OYYRYRGCYOYKDO-MLCQCVOFSA-N	427.460	3.656	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1	27745691	MLRZWLHNIGBDEB-MRXNPFEDSA-N	443.308	3.731	5	40	IHBB	
Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)cc1[N+](=O)[O-]	62582506	FKFURDGMBFMCTL-OAQYLSRUSA-N	436.493	3.858	5	40	IHBB	
COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)c1	224016925	NCFJXYPGPMNDQZ-KRWDZBQOSA-N	439.512	3.622	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c(C)c1	408556276	ZYPCVIDTMWYKLS-GOSISDBHSA-N	445.541	3.868	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C	9059329	JCNBKWCTDKNXJO-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
O=c1c2c3c(sc2nc(Sc2ncccc2[N+](=O)[O-])n1C[C@H]1CCCO1)CCCC3	9957036	MHRZNSKVTIEGRS-GFCCVEGCSA-N	444.538	3.970	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	13511366	GHOVMVSZIPSWNX-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
COc1cc(CCN2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)c([N+](=O)[O-])cc1OC	32937815	ZBAUQWMKTVELPI-DEOSSOPVSA-N	434.448	3.504	5	40	IHBB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1	409129815	UZSXYMJRHLGGHN-UHFFFAOYSA-N	425.466	3.667	5	40	IHBB	
CCOc1ccc2nc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)[nH]c2c1	9654484	HBAHWVXEBRDXAN-UHFFFAOYSA-N	444.469	3.762	5	40	IHBB	
Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	17096439	GBUUFSVVLPFZAN-UHFFFAOYSA-N	429.458	3.538	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1	101099160	AYUSIIUDFYQHOF-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408686570	RXYGBPJGYBKVIA-QZTJIDSGSA-N	439.855	3.757	5	40	IHBB	
O=C(NCc1ccc(F)cc1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12	6143830	QKTHKINOSCUXBI-UHFFFAOYSA-N	437.434	3.946	5	40	IHBB	
Cc1sc2c(c1C)c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1cccc([N+](=O)[O-])c1	20151668	IQLLIFBQVJZTKI-UHFFFAOYSA-N	425.441	3.926	5	40	IHBB	
Cc1c(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)cccc1[N+](=O)[O-]	40127734	SQPMPXVCCKNKHA-UHFFFAOYSA-N	429.477	3.752	5	40	IHBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC	409351061	VUFJEANFAYSVMJ-YBFXNURJSA-N	442.449	3.921	5	40	IHBB	
COc1cc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	1438633	WWWKTCVDZFZVIP-NRFANRHFSA-N	448.435	3.524	5	40	IHBB	
Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)c1	3662626	DORLCGWMARUPFU-OAQYLSRUSA-N	444.447	3.900	5	40	IHBB	
COc1ccccc1N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9086746	LPYFRWVHJXUZTK-UHFFFAOYSA-N	426.351	3.857	5	40	IHBB	
C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	9390528	DJEKQYAGOHAGJC-SNVBAGLBSA-N	440.330	3.569	5	40	IHBB	
O=C(Nc1nc(CC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cs1)C1CC1	32915667	ZCRJSFOVLRAMSA-UHFFFAOYSA-N	442.419	3.533	5	40	IHBB	
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O	218381884	RHNOFPQPPYQWRU-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1	408996932	CBGGDFWLPZXTLU-NRFANRHFSA-N	448.431	3.721	5	40	IHBB	
Cc1sc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1-c1ccccc1	13591718	ZBWDEHKWYWGULZ-UHFFFAOYSA-N	444.538	3.538	5	40	IHBB	
Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(C)c1	17098255	BZVJENXGELYCQS-UHFFFAOYSA-N	432.933	3.702	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O	19869082	FXCROSGLOKPXJX-UHFFFAOYSA-N	441.440	3.857	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	220396910	CAMPKJZCYSGOBV-IAGOWNOFSA-N	433.530	3.552	5	40	IHBB	
CCOC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792312	ZOYNMYHTGNMNFN-CYBMUJFWSA-N	446.459	3.940	5	40	IHBB	biogenic
COc1cc2c(cc1OC)CN(C(=O)CSc1nc3ccc([N+](=O)[O-])cc3s1)CC2	9331992	TWRYVSSUCPUKDF-UHFFFAOYSA-N	445.522	3.899	5	40	IHBB	
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccco2)ccc1F	9569359	JGCVGNXQJZWFJJ-FQEVSTJZSA-N	446.456	3.889	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	15437367	JUWDBYOGTSORCJ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222514675	NVVWGAZHENOCBS-FQEVSTJZSA-N	427.482	3.931	5	40	IHBB	
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409190297	RRTDOBKDIIHESW-CXUHLZMHSA-N	431.832	3.748	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C	12653906	HTCCSKZTEHAQOX-SGMGOOAPSA-N	431.411	3.652	5	40	IHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@@H](C(=O)Nc3nncs3)C2)c([N+](=O)[O-])c1	40151404	NXUVBHYBJUUIHG-MRXNPFEDSA-N	437.481	3.532	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1c(Cl)cccc1Cl	89768053	QNFMQARCJNBNBJ-UHFFFAOYSA-N	447.296	3.502	5	40	IHBB	
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	220432729	HDZVQQCWZNRNCL-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223677733	LFXXTONYQYXODQ-HXUWFJFHSA-N	425.529	3.902	5	40	IHBB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224595965	PHVRUVCRPCJANA-OAQYLSRUSA-N	443.569	3.814	5	40	IHBB	
COCCOC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12	2240327	QBCQWQUFZZSUGN-UHFFFAOYSA-N	441.831	3.521	5	40	IHBB	
Cn1c(=O)c2ccccc2n2c(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)nnc12	16459039	VWHAGLZCAANVBO-UHFFFAOYSA-N	441.447	3.659	5	40	IHBB	
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	17750194	MOSFIMPGJSYNDM-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
Cc1cc(C(=O)NC2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1	62580197	AKAXUSMFAPAGKG-UHFFFAOYSA-N	432.786	3.962	5	40	IHBB	
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	113890399	RHAYZFGXUPMTOW-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	20029626	CKGHQDIONKMHTB-MRXNPFEDSA-N	447.241	3.820	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542583	WTSJGPLICLSYDO-QFBILLFUSA-N	433.530	3.634	5	40	IHBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223869520	ARNVBVBNMRLKMW-INIZCTEOSA-N	427.476	3.753	5	40	IHBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	224940045	WNVAXUXCHIKFHG-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
Cc1c(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cccc1[N+](=O)[O-]	408704819	TXSOFTUFMPWHHS-UHFFFAOYSA-N	425.466	3.984	5	40	IHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1	9492250	NXJCLGNTIXYZRZ-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F	12591227	AHKHDVIAZWNZJI-BUXKBTBVSA-N	449.410	3.950	5	40	IHBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1cn2ccccc2n1	32820757	LLSODXRDGRAISK-UHFFFAOYSA-N	431.452	3.663	5	40	IHBB	
Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	57315916	GDMTZGPJHFEOAU-UHFFFAOYSA-N	442.526	3.635	5	40	IHBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-]	222495907	PECFSKSLECXROH-HSZRJFAPSA-N	449.482	3.663	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223286975	JKFGUMPUSGZFRX-KRWDZBQOSA-N	438.311	3.998	5	40	IHBB	
COc1cc2c(O)nc3c(C(=O)OC(C)C)c4nc5ccccc5nc4n3c2cc1OC	2285275	QQZCLCYFRNTTAV-UHFFFAOYSA-N	432.436	3.872	5	40	IHBB	
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)CC1=O	10461950	UGJVDLPMCXJHCN-KRWDZBQOSA-N	438.484	3.743	5	40	IHBB	
CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1	25586446	QUHBILVAFQPNDM-UHFFFAOYSA-N	428.470	3.952	5	40	IHBB	
COc1ccccc1Nc1nc(NC[C@@H](c2ccco2)N2CCCC2)nc(N)c1[N+](=O)[O-]	35681902	BTVBDPANZYBMPH-HNNXBMFYSA-N	439.476	3.561	5	40	IHBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O	409067897	QNTWAOCZQZKZBI-FHXOWUIVSA-N	442.449	3.772	5	40	IHBB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O	409202042	OEYIMZDXSJHLCQ-BGARDKSCSA-N	443.481	3.823	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1	10335664	GKNIJYWTSZEZCI-OAQYLSRUSA-N	425.510	3.863	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1	32640724	DUXFNMUDNROHOL-SJORKVTESA-N	437.930	3.523	5	40	IHBB	
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	9569384	XTTYABRTGKCSLH-UHFFFAOYSA-N	427.438	3.582	5	40	IHBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1F	15009310	XJASSMYUYBQZJG-CSKARUKUSA-N	427.388	3.671	5	40	IHBB	
Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1CCc1cccs1	21939829	FYZYRTGTRXQVDW-UHFFFAOYSA-N	427.482	3.939	5	40	IHBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(C)(C)C)cc1	3308746	NWFRHWNDXSRMBH-UHFFFAOYSA-N	427.486	3.924	5	40	IHBB	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3cccc([N+](=O)[O-])c3)c2)cc1	9126114	LGMRXICRYDLSIQ-UHFFFAOYSA-N	442.449	3.648	5	40	IHBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1	15592532	HMLPWFXKMSCAMZ-ZIAGYGMSSA-N	435.477	3.653	5	40	IHBB	
CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	22375317	GWISWXOUQSAXPG-IBGZPJMESA-N	433.530	3.554	5	40	IHBB	
Cc1ccc(-c2noc(CN3CCN(c4ccc([N+](=O)[O-])c5cccnc45)CC3)n2)cc1	24983901	NZLUCHVVOVPXHQ-UHFFFAOYSA-N	430.468	3.824	5	40	IHBB	
CCOC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1	408750189	LJOOFUATVKOMJF-UHFFFAOYSA-N	443.462	3.660	5	40	IHBB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1	9630516	BCXXGYALEIYXIL-UHFFFAOYSA-N	449.872	3.671	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	12492123	CPWADHYSIFHMDX-UHFFFAOYSA-N	437.905	3.921	5	40	IHBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1/C=C\n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21	104305289	DLXCBMZCUZJLHU-ARJAWSKDSA-N	431.342	3.750	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260941286	SHTKQKWLSVWHPB-QVKFZJNVSA-N	445.541	3.506	5	40	IHBB	
CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)s1	9630952	LFKVCQYSFINJGX-IVGCYQQZSA-N	442.468	3.501	5	40	IHBB	
COC(=O)C1=C(COc2ccc([N+](=O)[O-])c(C)c2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1	12791079	UYUSSWCWCJZHBC-OAQYLSRUSA-N	437.452	3.638	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	100020016	SSEWBNDBUHOLEG-UHFFFAOYSA-N	434.320	3.875	5	40	IHBB	
CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1	220423838	QWWISWYWVCWLHR-JXFKEZNVSA-N	433.530	3.634	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408682913	KHKPUORNSXJVMQ-IYBDPMFKSA-N	439.855	3.757	5	40	IHBB	
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	409170849	XYTBAQBJSDZJJG-UHFFFAOYSA-N	441.513	3.845	5	40	IHBB	
COC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1	8763235	ZPQMDJWPKXPLHK-UHFFFAOYSA-N	438.267	3.651	5	40	IHBB	
CC(C)(C)OC(=O)NCCCC(=O)O[C@H](C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-]	14982723	RWDPHHHAJOLVBA-KRWDZBQOSA-N	438.477	3.826	5	40	IHBB	
Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	16837921	FSCHASUVEGLBLJ-UHFFFAOYSA-N	435.827	3.903	5	40	IHBB	
Cc1ccc([C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])N2CCOCC2)o1	32829192	TUEYJEQVFAGECH-OAHLLOKOSA-N	444.366	3.909	5	40	IHBB	
CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12	33596525	XXWBZNJIQQMHJD-UHFFFAOYSA-N	438.469	3.649	5	40	IHBB	
CN(CC(=O)Nc1ccccc1Br)C(=O)CCCNc1ccc([N+](=O)[O-])cc1	69950358	YIPXWGLJYUHMSG-UHFFFAOYSA-N	449.305	3.647	5	40	IHBB	
COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC(C)C	225770529	FJIULRODOVMBLY-UHFFFAOYSA-N	442.468	3.856	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1	3290427	QJYDBNXXYFAYGJ-UHFFFAOYSA-N	434.404	3.630	5	40	IHBB	aggregator
O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc([N+](=O)[O-])cc1Br	9057068	GPOAERKJYFHAHB-UHFFFAOYSA-N	436.247	3.533	5	40	IHBB	
CCOc1ccc(Nc2nc(Nc3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])cc1	9158697	OFNABMPFBPASKW-UHFFFAOYSA-N	426.433	3.870	5	40	IHBB	
COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	13590263	JCWWBYSMNKPTIK-UHFFFAOYSA-N	445.453	3.892	5	40	IHBB	
Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1	13752186	OIFBRKRTRXGTJG-UNOMPAQXSA-N	430.445	3.842	5	40	IHBB	
Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1	16268955	CPVGFFHQIVVLPN-UHFFFAOYSA-N	432.933	3.702	5	40	IHBB	
COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])cc1OC(F)F	29050285	AUSRAOKYRORLGA-OAHLLOKOSA-N	443.834	3.891	5	40	IHBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222504664	PRFCWIUFKLRECT-UWJYYQICSA-N	441.528	3.868	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222539415	QHUFISSFCLLCDX-PXNSSMCTSA-N	447.557	3.585	5	40	IHBB	
CCc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	835176	BCRNXRMSECXLGM-UHFFFAOYSA-N	439.493	3.991	5	40	IHBB	
COCCCn1c(-c2ccc(Cl)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O	2241640	FTDIOSSIRYQVEP-UHFFFAOYSA-N	426.856	3.868	5	40	IHBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1	12137629	QHCQIBWNUKAYED-HNNXBMFYSA-N	447.513	3.612	5	40	IHBB	
CCn1c(Sc2ccc([N+](=O)[O-])cn2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	12525229	VXGPBNDJURJMBH-UHFFFAOYSA-N	447.542	3.685	5	40	IHBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408678162	CQVGVGYLPXLYBX-KYJSFNMBSA-N	439.443	3.713	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O	408683490	LKBFBSMQOVEXLA-IYBDPMFKSA-N	441.871	3.981	5	40	IHBB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1	409155281	QJIGEBGMSKKSTK-LZYBPNLTSA-N	445.478	3.697	5	40	IHBB	
Cn1c(=O)n(C)c2cc3c(cc21)nc1c2ccc(Br)c4cccc(c(=O)n31)c42	1505840745	YMAWSZPCKVYFKS-UHFFFAOYSA-N	433.265	3.545	5	40	IHBB	
Cc1c(C(=O)NC2CCC(NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)cccc1[N+](=O)[O-]	2748721	FBSYTNDHBVMOEH-UHFFFAOYSA-N	440.456	3.591	5	40	IHBB	
C[C@@H](OC(=O)CCc1ccc2c(c1)OCCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	12949538	QQSHUDGVOCLLOF-CYBMUJFWSA-N	425.397	3.653	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Br	16227695	UQCJSMNRRSTLCF-UHFFFAOYSA-N	440.275	3.501	5	40	IHBB	
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	33682630	KUFAGTBLRRYSKZ-UHFFFAOYSA-N	430.313	3.721	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1	409153701	MQXUXXZQOOLGNA-UHFFFAOYSA-N	448.302	3.884	5	40	IHBB	
CCOc1c(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cccc1OC	409360536	QAJSFNOARZAOPS-WOJGMQOQSA-N	442.449	3.921	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C	20061670	ZYAXECUMOBWMNK-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1	3610093	ZYABPXPHNSENOH-ZDUSSCGKSA-N	437.905	3.921	5	40	IHBB	
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	13005745	CQXDJFYHRXTDBW-QGZVFWFLSA-N	441.868	3.569	5	40	IHBB	
COC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1	15165454	HBTBOVYYIOEOBM-UHFFFAOYSA-N	448.497	3.667	5	40	IHBB	
O=C(COCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCCc2ccccc2)cc1	9805750	WPRMUCMNASDEIQ-UHFFFAOYSA-N	449.463	3.810	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O	220715785	VASLFULFWPIAQT-MRXNPFEDSA-N	425.894	3.740	5	40	IHBB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1	220396378	AGOQXIHTIBNKQQ-APWZRJJASA-N	433.530	3.634	5	40	IHBB	
O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	8995493	NGBZUXXUUJQSGB-UHFFFAOYSA-N	431.253	3.796	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	16384007	MEMGHWBNHVVJNB-UHFFFAOYSA-N	425.228	3.772	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	21762920	CXGBLXNDKDGHJR-UHFFFAOYSA-N	437.521	3.691	5	40	IHBB	
Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	22278848	OQLPCXLNLHUZOO-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
CCSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1	40398910	XSBUOHSWXCIWCK-SCLBCKFNSA-N	436.541	3.682	5	40	IHBB	
O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1	102766136	VUKMGDAVKDJOAH-BHDDXSALSA-N	429.432	3.642	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	222505306	VZCZQSJDVVMIAS-MRXNPFEDSA-N	429.857	3.571	5	40	IHBB	
CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	13141156	RFSFGVWSJXSQKO-INIZCTEOSA-N	438.253	3.890	5	40	IHBB	
CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542424	BOMNQVPWNSRZCS-WOJBJXKFSA-N	445.541	3.642	5	40	IHBB	
CC[C@H](C)n1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21	16750714	HFRHKGXCTWYQSZ-IRXDYDNUSA-N	429.524	3.899	5	40	IHBB	
Cc1c(Cl)cc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1[N+](=O)[O-]	24471109	RHFMIHJEYJJPNW-UHFFFAOYSA-N	432.889	3.911	5	40	IHBB	
CC(C)[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1nc(C2CC2)no1	79063740	UNMYYORGXAZCER-CYBMUJFWSA-N	434.396	3.958	5	40	IHBB	
Cc1ccc(CCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	222377321	QRMQVBMNZWEPQW-UHFFFAOYSA-N	447.557	3.507	5	40	IHBB	
CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCC	409317586	QLICSYRRJYTPGB-WAYWQWQTSA-N	426.223	3.526	5	40	IHBB	
CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)sc2c1CC[C@H](C)C2	2601669	WRHSXHWLUBEBFJ-LBPRGKRZSA-N	434.518	3.882	5	40	IHBB	
O=C(NC(=S)Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17100211	VDMHXAVSNLHZJA-UHFFFAOYSA-N	436.493	3.711	5	40	IHBB	
O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1	19863746	UANVEQLEMKOXBP-UHFFFAOYSA-N	427.844	3.848	5	40	IHBB	
CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12	20675263	PJBXKBVOSNXKSI-UXHICEINSA-N	436.468	3.860	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408688393	WEYNGCBSKYZGEP-HDICACEKSA-N	439.855	3.757	5	40	IHBB	
CCN(CC)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	8685328	BZKDRXCDYUNFMC-LJQANCHMSA-N	449.349	3.969	5	40	IHBB	
CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	24445220	NUOLBIFQZTYTPT-UHFFFAOYSA-N	425.510	3.802	5	40	IHBB	
O=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1-c1nc(C2CCCCC2)n[nH]1	40399027	WFRODJWBNFEZPB-UHFFFAOYSA-N	430.512	3.982	5	40	IHBB	
CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	224861117	OQIYWTBOHVKAMW-QGZVFWFLSA-N	427.567	3.782	5	40	IHBB	
Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-]	408654990	RCANHVUJGWENBY-HIFRSBDPSA-N	430.844	3.724	5	40	IHBB	
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O	10233059	DHQMEFRYMJXDHJ-LJQANCHMSA-N	441.871	3.770	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc2cc([N+](=O)[O-])ccc2oc1=O	13615746	YTNYPOZDYNMCOP-UHFFFAOYSA-N	434.158	3.624	5	40	IHBB	
CN(Cc1ccc2c(c1)OCCO2)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	14058951	LWWBRDSJKRSWPC-UHFFFAOYSA-N	439.390	3.845	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2s1	3263450	UNKMEOKELVVUFF-GFCCVEGCSA-N	429.454	3.716	5	40	IHBB	
Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1	17098254	CIIGAQIXOGYRQA-UHFFFAOYSA-N	432.933	3.702	5	40	IHBB	
O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1ccc(Cl)cc1[N+](=O)[O-]	58218028	GTFUQOHHKTWDEY-UHFFFAOYSA-N	436.653	3.903	5	40	IHBB	
CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C1CCOCC1	72307290	FCVPYSXXYSQNFP-GOSISDBHSA-N	425.551	3.777	5	40	IHBB	
CCOC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)n1	9419627	ZNEHMVAPRCGURA-UHFFFAOYSA-N	438.461	3.526	5	40	IHBB	
COc1cc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)c([N+](=O)[O-])cc1OC	9569535	GJEUMMRRBMXPJG-UHFFFAOYSA-N	431.445	3.847	5	40	IHBB	
Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1	9590967	VPNQZRKIJGIQKS-UHFFFAOYSA-N	429.502	3.711	5	40	IHBB	
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	15389796	CDCPWCMJVNHVQB-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
C[C@@H](C(=O)N[C@H](c1ccccc1)c1cccs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	26939999	NBIYWIALKXRTFU-ORAYPTAESA-N	435.461	3.547	5	40	IHBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C(F)(F)F)c2)cc1OC	32854554	RJSTVIZCQXRXMH-UHFFFAOYSA-N	428.363	3.577	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408568428	ULANDSYMAGAYTE-NIDLKEISSA-N	429.476	3.788	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-]	57316844	QBTUPHKUGDMRHY-UHFFFAOYSA-N	440.500	3.550	5	40	IHBB	
COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	9064646	LNHHTYWIXXKKTC-UHFFFAOYSA-N	444.513	3.729	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1cccc(Cl)c1	9493561	IPSLNIFDPHMJNZ-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
COCCn1c(-c2ccc(Cl)cc2Cl)nc2c(c(=O)c3ccccc3n2C)c1=O	2328623	KFCFXKGWWKPJOP-UHFFFAOYSA-N	430.291	3.869	5	40	IHBB	
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Br	21124556	XHJZMLACLPXRPA-UHFFFAOYSA-N	440.206	3.925	5	40	IHBB	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	78985742	AAOWRSPNCDUAHK-SSINHNECSA-N	425.304	3.928	5	40	IHBB	
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c1O	408632011	CNFQPQNZLHIHMZ-VGOFMYFVSA-N	448.844	3.965	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	408641763	MSFGJRCVMRQOGQ-MRXNPFEDSA-N	425.441	3.543	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222532514	UMZPWBVTWBKIEZ-MRXNPFEDSA-N	425.894	3.740	5	40	IHBB	
CCc1ccc([C@@H](C)NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	260795988	NWVUUGVSLVVTNN-QRWLVFNGSA-N	433.530	3.579	5	40	IHBB	
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2[N+](=O)[O-])CC1	12561530	KEHXBUNHGQNTOB-NRFANRHFSA-N	438.528	3.781	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222536592	PEMYMBLJZPNOFG-KRWDZBQOSA-N	437.543	3.808	5	40	IHBB	
CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	223283915	GPUMEPDXIFYABE-RTWAWAEBSA-N	437.525	3.784	5	40	IHBB	
CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc12	58026883	GFVKRSXEIRIOMO-FQEVSTJZSA-N	428.466	3.639	5	40	IHBB	
COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC	3370910	MJUZOFVRVZHRBM-UHFFFAOYSA-N	429.212	3.714	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1C	12745460	NODMRMIKZCKMAZ-SFHVURJKSA-N	432.498	3.899	5	40	IHBB	
CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cc([N+](=O)[O-])ccc1Cl	11012549	OPFAWYNULMDFHA-UHFFFAOYSA-N	435.271	3.553	5	40	IHBB	
CCc1c(C)sc2nc(Sc3ncccc3[N+](=O)[O-])n(C[C@H]3CCCO3)c(=O)c12	3425384	WJCOPRDTEXLPCO-GFCCVEGCSA-N	432.527	3.962	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O	408648936	YRMCOGHWDJFUCR-GFCCVEGCSA-N	448.273	3.666	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222519606	DVLSPBVJCHCTIU-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-]	85342891	YSOGJQHTYGJPSX-UHFFFAOYSA-N	444.252	3.735	5	40	IHBB	
Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	16837933	IIMYMKMDZXBOHZ-UHFFFAOYSA-N	435.827	3.903	5	40	IHBB	
O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1	40116308	KTNJMIVGXSOLDP-UHFFFAOYSA-N	432.415	3.725	5	40	IHBB	
COc1cc2c(cc1NC(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)oc1ccccc12	8924870	ALZMBXSQYHVCTJ-UHFFFAOYSA-N	447.403	3.867	5	40	IHBB	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	32950518	NOVFJOYNNXTEIP-DLBZAZTESA-N	437.496	3.721	5	40	IHBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-]	224674784	UUDGTETUEXDNKU-INIZCTEOSA-N	427.476	3.753	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc(F)c2)cc1	408565725	LVNOMVGBZADTAT-UWSFRGMNSA-N	447.466	3.973	5	40	IHBB	
CC(=O)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	409184072	WNYOLSNTMXELEE-UHFFFAOYSA-N	425.418	3.849	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)c(Br)c1	409317135	PDERWPKKHLDKQA-DJWKRKHSSA-N	449.173	3.897	5	40	IHBB	
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	8902596	RGWMJGXDQKEVLQ-UHFFFAOYSA-N	442.541	3.856	5	40	IHBB	
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N1CCN(c2ccc(F)cc2)CC1	9252745	UMWMLDHDCQLIOO-UHFFFAOYSA-N	432.451	3.813	5	40	IHBB	
O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCC1	9335156	DYKOAPYZERGALM-UHFFFAOYSA-N	430.844	3.695	5	40	IHBB	
CCN1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C1	9390623	AIZGBIDVEPVAGW-UHFFFAOYSA-N	447.516	3.737	5	40	IHBB	
Cc1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1	10040048	AGZORYQEOBHXEM-QHCPKHFHSA-N	432.432	3.800	5	40	IHBB	
CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223948258	FTDPCCJUYDWILF-OAQYLSRUSA-N	441.528	3.870	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc([N+](=O)[O-])c1	14409789	PJRXSAOUWXFYBC-UHFFFAOYSA-N	428.430	3.512	5	40	IHBB	
C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	16097102	HGDZRKODSMPPPW-HNNXBMFYSA-N	425.466	3.887	5	40	IHBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O)o2)c1	408631503	FGPKDDQEFNCXAK-APSNUPSMSA-N	429.410	3.880	5	40	IHBB	
CCOc1c(O)ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-]	2744400	OHVQIOCIJLSKJN-KRWDZBQOSA-N	427.442	3.776	5	40	IHBB	
COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](c3ccccc3)C2=O)cc1[N+](=O)[O-]	8914825	KMLIJRCVFSPPMM-JOCHJYFZSA-N	446.415	3.589	5	40	IHBB	
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1cc(C)on1)[C@H]3c1cccc([N+](=O)[O-])c1	9357771	ZJDXYCFPOPXYBV-IBGZPJMESA-N	433.376	3.756	5	40	IHBB	
COC(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c1	15692120	QEFBUQZGTSKXOF-GOSISDBHSA-N	431.514	3.646	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	222887957	XEIOTCNVTMAKEQ-UHFFFAOYSA-N	441.509	3.611	5	40	IHBB	
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1cc(C)on1)[C@@H]3c1cccc([N+](=O)[O-])c1	9357770	ZJDXYCFPOPXYBV-LJQANCHMSA-N	433.376	3.756	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225036465	FEGXVQZDBQVXAP-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	408641762	MSFGJRCVMRQOGQ-INIZCTEOSA-N	425.441	3.543	5	40	IHBB	
COCCN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	409217027	NHRNEUFARQMULJ-LICLKQGHSA-N	445.409	3.978	5	40	IHBB	
CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	13956363	GASBRLUOIAUVAH-UHFFFAOYSA-N	439.497	3.671	5	40	IHBB	
COc1cccc(Cn2nccc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1OC	21677796	SQWFYCLTIKYCBQ-UHFFFAOYSA-N	428.470	3.588	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)c(C)c1	101344645	UZMHWRCYDRIPMH-FYYLOGMGSA-N	440.459	3.994	5	40	IHBB	
O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)NCc1ccc(-c2ccc(Cl)cc2)o1	9322590	BFJPLIYKYJGMJR-UHFFFAOYSA-N	444.875	3.641	5	40	IHBB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1	33738824	FAGCGPYVSBZTGI-UHFFFAOYSA-N	431.430	3.950	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1Br	95397961	TWKWZWBGDQMKRR-UHFFFAOYSA-N	426.170	3.572	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1	8830045	CDJWSJVYCFGVKO-OAHLLOKOSA-N	443.308	3.731	5	40	IHBB	
COc1cc2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2cc1Cl	8832044	LMXKFFJLLOJGEX-UHFFFAOYSA-N	448.888	3.955	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC[C@H](c1ccco1)N1CCCCC1	9119612	NSWLXIPAZNVHTI-HXUWFJFHSA-N	448.545	3.611	5	40	IHBB	
COc1ccc(N2O[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1	36108845	FZKPBSNVJMQEFD-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	58161750	JTPRJOXLKOLADU-CQSZACIVSA-N	444.513	3.598	5	40	IHBB	
CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225076809	TVMWWGMXIPXXIL-UHFFFAOYSA-N	446.403	3.680	5	40	IHBB	
O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1	2634125	XKIFMNJQLJFQPO-UHFFFAOYSA-N	437.840	3.815	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-]	9510035	IIZLZBHVXZNTSO-UHFFFAOYSA-N	429.473	3.790	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	9511977	IQVOTCYNCOTVNR-CMDGGOBGSA-N	441.484	3.881	5	40	IHBB	
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	10010464	DMKYNCIYOHKSHF-CMDGGOBGSA-N	428.876	3.569	5	40	IHBB	
CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccc([N+](=O)[O-])cc21	12806607	LSIUBKTUHYJADC-SFHVURJKSA-N	446.301	3.701	5	40	IHBB	
COC(=O)[C@@H]1[C@H](c2cc(Cl)cc(Cl)c2OC)C([N+](=O)[O-])=C2CCCCN2[C@]1(C)O	4065770	RXVZXHIEEBHUIS-YZVOILCLSA-N	445.299	3.571	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)cc1	9441922	MKSNWWNOQOYYQT-UHFFFAOYSA-N	425.382	3.716	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1	13688252	FNORUDMBNCDKKE-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H](C)SC2=N1	3636655	DNWXTKUEXRAZRK-AUUYWEPGSA-N	437.477	3.987	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	4015868	DHEISUYQFLNNFD-ZQFKLAOWSA-N	438.439	3.735	5	40	IHBB	
CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	6461971	HYKOQVWLGQDOIZ-UHFFFAOYSA-N	441.469	3.643	5	40	IHBB	
CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	8770780	LMWZHLNXKSVROZ-ZJSXRUAMSA-N	446.507	3.951	5	40	IHBB	biogenic
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCN(C)C)C3=O	10233145	JOQUOMOKUYBJEZ-NRFANRHFSA-N	435.480	3.815	5	40	IHBB	
CCOc1ccc(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3CCOC)cc1	2328491	DKUPVXIFJIEZAS-UHFFFAOYSA-N	429.480	3.637	5	40	IHBB	
CCn1cc([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1	2731099	XMXDUIYNOSXKCZ-UHFFFAOYSA-N	430.881	3.972	5	40	IHBB	
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	14091735	IZJUEKUQJXBXRF-UHFFFAOYSA-N	427.486	3.536	5	40	IHBB	
CCOc1ccc(C(=O)Nc2ncc(I)cc2C)cc1[N+](=O)[O-]	32125151	PPFVIUVWDCEMDS-UHFFFAOYSA-N	427.198	3.554	5	40	IHBB	
O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1	32854642	GZWFARABNHKTGQ-UHFFFAOYSA-N	448.479	3.973	5	40	IHBB	
CC1CCN(Cc2ccc(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)CC1	40139060	MJJHRXZRTCRMDB-UHFFFAOYSA-N	442.541	3.656	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1	106764449	OINTXWBNBOLEBI-WQRHYEAKSA-N	441.465	3.822	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O)c1ccc([N+](=O)[O-])cc1	409353663	PGNJCJSVESERAI-VCHYOVAHSA-N	436.401	3.620	5	40	IHBB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1	627600	LYOWEEXMFYBKKA-OAHLLOKOSA-N	437.473	3.527	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1[N+](=O)[O-]	10814750	ZXSYTRHDLYPJLU-FCDQGJHFSA-N	438.513	3.598	5	40	IHBB	
CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12	20638227	RGAYYSIJPFOEBF-VQTJNVASSA-N	436.468	3.860	5	40	IHBB	
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	100863726	AGRSOIUWNDUISI-CTNGQTDRSA-N	430.395	3.516	5	40	IHBB	
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	101076561	GFEQTTSYRQKZLP-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	113883373	SWZGWKFCMXZCOU-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2cccc(F)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408569329	VPYJVOFVICINGI-RZPHLTDDSA-N	447.466	3.927	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1	408663282	MZYXBYKJUKNWBD-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1	409100223	UPVRRXGLTYDGNX-GZTJUZNOSA-N	427.438	3.669	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc4cc(F)c(F)cc43)c([N+](=O)[O-])c2)C1	12634088	PZMZFBPOTZFCCN-LBPRGKRZSA-N	436.440	3.633	5	40	IHBB	
O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	13005216	UFASHHWXAZTKBB-JTQLQIEISA-N	427.310	3.624	5	40	IHBB	
COc1ccc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	21123836	ZTCJISMUIODMQM-UHFFFAOYSA-N	426.179	3.535	5	40	IHBB	
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccco2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C	36548396	YGZNELVIXLJXGW-XVWGUNQUSA-N	447.447	3.572	5	40	IHBB	
Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	223480564	BYDKTCAVKHAQQK-ZWKOTPCHSA-N	447.557	3.860	5	40	IHBB	
CCc1ccc(CC)c(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	225358913	SSTIVRVUIQIVSE-UHFFFAOYSA-N	447.557	3.582	5	40	IHBB	
C[C@H](NC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	819470	UUMVABGBGYHZKQ-XOBRGWDASA-N	439.855	3.711	5	40	IHBB	
C[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1	5711060	SNWATRHXQAAZPX-KRWDZBQOSA-N	425.485	3.789	5	40	IHBB	
COc1ccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)c([N+](=O)[O-])c1	12617790	TULGLNKCNABBKZ-UHFFFAOYSA-N	429.454	3.718	5	40	IHBB	
Cc1cc(I)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	14401779	SSFQDUXCGWNWMA-UHFFFAOYSA-N	432.239	3.617	5	40	IHBB	
C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](COC(=O)CCC3CCCC3)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21	104109720	PVUBNLODEIWNLX-CTNKTOSQSA-N	442.576	3.584	5	40	IHBB	
Cc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	835163	OOOTZLAJWAGVLN-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
COc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	3223939	VYIKGDFHNNRSAZ-UHFFFAOYSA-N	445.431	3.546	5	40	IHBB	
O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(F)cc1	8974497	ZIEYAEJTWWFULE-GCJKJVERSA-N	438.415	3.759	5	40	IHBB	
Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	9139017	GHLWZRAHSOHTKL-UHFFFAOYSA-N	439.287	3.940	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O	13714769	XSXVDMAQXNPYAV-MRXNPFEDSA-N	425.894	3.740	5	40	IHBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(Cc1ccccc1Br)C1CC1	48354145	MERYIULCVNYOQG-UHFFFAOYSA-N	430.258	3.575	5	40	IHBB	
CN1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C2(CCCCC2)C1	72308919	HLNPUPDURJIPIO-UHFFFAOYSA-N	429.546	3.607	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1	102739905	AYUSIIUDFYQHOF-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F	408563267	KJEHHBBPRIBOAD-QGZVFWFLSA-N	443.765	3.515	5	40	IHBB	
Cc1c([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)nn1C	2732679	RRNMBEAPZYWNJQ-UHFFFAOYSA-N	430.881	3.797	5	40	IHBB	
O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)N1CCCc2ccccc21	9240868	NLUPMHQOTWWQPW-UHFFFAOYSA-N	446.492	3.771	5	40	IHBB	
COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	16992187	GBVLBASOWWOZKZ-UHFFFAOYSA-N	433.511	3.556	5	40	IHBB	
Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4ccc([N+](=O)[O-])cc4)C3=O)CC2)cc1	20265925	FOPZYVWQCKJJAO-XSFVSMFZSA-N	438.509	3.719	5	40	IHBB	
CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409201268	KZZRDVACPUOHCD-MFOYZWKCSA-N	429.454	3.663	5	40	IHBB	
Cn1nnnc1Sc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	9683297	JVIIBSGRNXSPNW-UHFFFAOYSA-N	439.501	3.512	5	40	IHBB	
C[C@@H](C[N+]1(C)CCCCC1)OC(=O)CCCCC(=O)O[C@H](C)C[N+]1(C)CCCCC1	12401810	MYRKMZPLEWKEQK-SZPZYZBQSA-N	426.642	3.671	5	40	IHBB	biogenic,in-vitro
COc1ccc(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1	12537532	PECANMTVGLQZHV-UHFFFAOYSA-N	449.876	3.685	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc2sc3ccccc3n12	3329813	BNALSMLAFXFHAV-JTQLQIEISA-N	429.483	3.980	5	40	IHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCOc1ccc(Cl)cc1Br	9586576	FDBZDNWWQMKSDG-UHFFFAOYSA-N	425.622	3.686	5	40	IHBB	
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	9714699	LZCPIUGXLYGPGA-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@@H]3C2=O)c(C)c1	100862674	UZMHWRCYDRIPMH-GGAORHGYSA-N	440.459	3.994	5	40	IHBB	
CC[C@H](C)n1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21	103181335	HFRHKGXCTWYQSZ-DLBZAZTESA-N	429.524	3.899	5	40	IHBB	
CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	223066563	QEICAPBAIRHHOW-FHSNZYRGSA-N	436.541	3.538	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225036807	PEOLHPQVCBFRJV-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225090117	RBDYYHBITCUDRQ-UHFFFAOYSA-N	440.477	3.939	5	40	IHBB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1[N+](=O)[O-]	408670991	RFUARSBZWNGHKG-KRWDZBQOSA-N	447.447	3.591	5	40	IHBB	
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-]	9708329	MDRIVGHCOZASAB-IBGZPJMESA-N	436.493	3.515	5	40	IHBB	
Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	12342275	ANPQRRRMBMPZEL-UHFFFAOYSA-N	445.391	3.763	5	40	IHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1	12590352	HUEOQLPJUBIFGG-UHFFFAOYSA-N	432.820	3.714	5	40	IHBB	
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	12657697	FONNFORFBBUXHO-SJORKVTESA-N	437.496	3.966	5	40	IHBB	
CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1	12877262	YWUKKNGTORHTHY-UHFFFAOYSA-N	441.484	3.536	5	40	IHBB	
COc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C	17096905	JGSVKFBBRDEVTK-UHFFFAOYSA-N	430.486	3.633	5	40	IHBB	
CCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21	101155859	SOENSQACYHCFMV-UHFFFAOYSA-N	449.942	3.821	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1	408532067	NFCLXPBDKSOCCB-SFHVURJKSA-N	439.493	3.787	5	40	IHBB	
Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1Cc1ccc2c(c1)OCO2	9128170	GRVJPHBSOABVHE-UHFFFAOYSA-N	442.449	3.891	5	40	IHBB	
O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1	12633521	DEGCNVBSYLUODD-UHFFFAOYSA-N	432.465	3.652	5	40	IHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12	18025491	MXMVJQOCTLWBNL-UHFFFAOYSA-N	426.425	3.733	5	40	IHBB	
CCOc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1[N+](=O)[O-]	32127103	XPUQSTMEIUJRII-UHFFFAOYSA-N	428.470	3.692	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1	139027595	WODUQSNAJYLEJJ-UHFFFAOYSA-N	439.346	3.514	5	40	IHBB	
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225380442	OIRVZJKFHMMBGV-CQSZACIVSA-N	435.933	3.645	5	40	IHBB	
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225380476	OIRVZJKFHMMBGV-AWEZNQCLSA-N	435.933	3.645	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565370	JZEOZYJXRGHPOL-QFZRFWILSA-N	447.466	3.927	5	40	IHBB	
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	409000381	WCALBJLZTRMOME-MGPUTAFESA-N	428.441	3.662	5	40	IHBB	
Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1	2257893	LVCCKFVETYBFFI-SFHVURJKSA-N	425.492	3.830	5	40	IHBB	
CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O	2303039	VCYVSZSCXGRZDE-PXNMLYILSA-N	430.800	3.917	5	40	IHBB	
Cc1cccc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cn12	25378348	JIIAPSTVEWMFQF-UHFFFAOYSA-N	433.390	3.532	5	40	IHBB	
O=C(c1cc(-c2ccccc2)on1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	36709502	DOHAPAXVFHRXHV-UHFFFAOYSA-N	435.465	3.822	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222520191	PSGKRPONDBCQOJ-INIZCTEOSA-N	445.419	3.797	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-]	224791907	NCTUSWSQLMMUAY-UHFFFAOYSA-N	434.470	3.505	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12	17057644	FRFBDFBDAODCNX-WPWBMXPQSA-N	427.460	3.971	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(NC(C)=O)c1	19929447	FUIDHFXYEKIVMB-UHFFFAOYSA-N	440.485	3.562	5	40	IHBB	
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1	32109696	KKCYHNHNUZOMAW-QFIPXVFZSA-N	433.468	3.573	5	40	IHBB	biogenic
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1	102709071	BTYKVKZKPFZZEW-ACRUOGEOSA-N	433.395	3.785	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222519956	TWVLXRUXNCRDPY-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
CCCC[C@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224854032	RVJJKBDXNHBARV-KRWDZBQOSA-N	427.567	3.782	5	40	IHBB	
COc1cc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC	8586991	BAGRSPVVDQAVNN-UHFFFAOYSA-N	426.429	3.938	5	40	IHBB	aggregator
CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2)cc1	8995664	SXGDKHOKDUKTOO-UHFFFAOYSA-N	443.257	3.718	5	40	IHBB	
COc1ccc(C(=O)COc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)cc1	9543556	XSSIHYKUPOGICZ-UHFFFAOYSA-N	446.415	3.974	5	40	IHBB	
COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)cc3n2)cc1	32203993	QEUULIJVPRYFIA-UHFFFAOYSA-N	448.395	3.806	5	40	IHBB	
Cc1ccc(-c2noc(CN3CCN(c4ccc5ncccc5c4[N+](=O)[O-])CC3)n2)cc1	32937630	FZCDAONSPAATIC-UHFFFAOYSA-N	430.468	3.824	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1[N+](=O)[O-]	223582072	WCEABWUKHMGLCN-UHFFFAOYSA-N	430.486	3.897	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc(F)c2)cc1	408565722	LVNOMVGBZADTAT-POIRLRRGSA-N	447.466	3.973	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1	2804762	YQAJQJJJROOHMK-UHFFFAOYSA-N	426.376	3.659	5	40	IHBB	
O=c1[nH]c(/C=C/c2ccc(OCc3ccccc3)c(Br)c2)nc(O)c1[N+](=O)[O-]	9295549	RHUPUGDGCMCQJK-VQHVLOKHSA-N	444.241	3.896	5	40	IHBB	
COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	9715236	WNOXIUMBHRWDTK-UHFFFAOYSA-N	442.346	3.573	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(Cl)c1)S(C)(=O)=O	13712605	ZUSLCSLOHBFIIG-INIZCTEOSA-N	425.894	3.740	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1	14291153	KLGDSKASLKVMAS-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611816	AAWRTJAANBDFJV-QHHAFSJGSA-N	432.820	3.645	5	40	IHBB	
CC(C)CCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	95681983	CSGFOSVOELHPGZ-UHFFFAOYSA-N	429.341	3.826	5	40	IHBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1	106681326	LVBYERBFTWUTBB-UYRXBGFRSA-N	425.466	3.668	5	40	IHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(F)cc1	2435035	ADWXFHGIOFOIOJ-UHFFFAOYSA-N	431.471	3.908	5	40	IHBB	
O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-]	9569259	ISJKIJTXSRFGTF-UHFFFAOYSA-N	437.477	3.989	5	40	IHBB	
O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	12563381	KBMRSBCXCFQZMU-UHFFFAOYSA-N	442.422	3.809	5	40	IHBB	
COc1ccc([C@@H]2[C@@H]3CC(C)(C)OCC3=NN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	13509939	UFFFDFKPRJCDEL-DYESRHJHSA-N	439.468	3.980	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1	13758942	AYUSIIUDFYQHOF-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CCCCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21	17083393	APNWYJXJEZLMDN-FQEVSTJZSA-N	447.285	3.965	5	40	IHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	17094264	LOTZROVNKARITR-UHFFFAOYSA-N	425.228	3.772	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	19162855	HMYJQISQKNRJIN-UHFFFAOYSA-N	444.296	3.938	5	40	IHBB	
CCc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	220280975	HUISIFLELRIPDD-GFCCVEGCSA-N	425.894	3.604	5	40	IHBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O)o2)c1	408634914	XXCCIYVXOWEQGD-APSNUPSMSA-N	429.410	3.880	5	40	IHBB	
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	16431307	OKBFXBVFXXYCTJ-UHFFFAOYSA-N	445.435	3.887	5	40	IHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	17096437	ORQULPHWYNHLAR-UHFFFAOYSA-N	429.458	3.538	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1	223265450	FMKDTPWKFBWVBB-UHFFFAOYSA-N	437.477	3.907	5	40	IHBB	
CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224034758	RVWMAEBULAEOKK-OAQYLSRUSA-N	425.529	3.904	5	40	IHBB	
COc1c(F)c(F)c(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(F)c1F	8831796	RYGRTDLXFUNQAC-UHFFFAOYSA-N	447.772	3.776	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(-n2ccnc2)cc1	9244990	PSQUYQGEOVKKQK-UHFFFAOYSA-N	428.470	3.747	5	40	IHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(Br)c2)NC(=O)N1	13988040	YHUGDMONDILIJE-MRXNPFEDSA-N	431.246	3.624	5	40	IHBB	
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c1	101224659	OZVWQMZSXNUHBB-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
Cc1c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-]	222533344	HXGHLMOYMRSGPI-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(Cl)c1	9492976	YXXYGOAFYJKWLO-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
CC(C)(C)c1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1	10296291	ROAXGAKSZGCDNG-LJQANCHMSA-N	444.455	3.736	5	40	IHBB	
Cc1cccc(C)c1NC(=O)CN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	9646261	KNIZHBXRRPQMPM-UHFFFAOYSA-N	445.419	3.580	5	40	IHBB	
COc1ccc(-c2nsc3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc23)cc1	12639532	LKROCRVFYPNYOQ-UHFFFAOYSA-N	448.508	3.997	5	40	IHBB	
COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2n1	13513488	VOBVCUCOVJGWCG-UNOMPAQXSA-N	446.444	3.543	5	40	IHBB	
COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cn1ccc([N+](=O)[O-])n1	17101344	PGMIBNOYPDAVAI-UHFFFAOYSA-N	437.481	3.692	5	40	IHBB	
CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)n1	95460179	ZZXUFJYICHHUOH-UHFFFAOYSA-N	436.856	3.789	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1	408664549	RFJMOXHQGVFFDN-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409209104	FUVYTPOMSMBNTC-BOPFTXTBSA-N	429.454	3.760	5	40	IHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	13007518	VQGSWMZAGMBWQD-CQSZACIVSA-N	440.525	3.855	5	40	IHBB	
CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1	14273504	WDRVZLCIFOLFNW-CSKARUKUSA-N	442.903	3.959	5	40	IHBB	
CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19499734	CZRLCKMMEREIRD-LJQANCHMSA-N	441.561	3.700	5	40	IHBB	
Cc1c(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-]	19869084	FCBUUFKITVKYLY-UHFFFAOYSA-N	441.440	3.857	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12	13592711	FRFBDFBDAODCNX-RZTXVSJASA-N	427.460	3.971	5	40	IHBB	
Cc1cc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc(C(C)C)n1	15032946	WHHGCQWOKZMFHM-MRXNPFEDSA-N	437.504	3.750	5	40	IHBB	
CCOC(=O)N1CCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)CC1	38261740	NSTGJKZFWOWLFO-UHFFFAOYSA-N	435.509	3.702	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57536179	GHLRIJZPUFSUOH-AWEZNQCLSA-N	441.438	3.570	5	40	IHBB	
O=C(c1ccccc1)N(C(=O)c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	104336011	LOLYHAROGGKYOP-UHFFFAOYSA-N	436.336	3.898	5	40	IHBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1	16309549	PRCIRFMYDMRZTA-SFHVURJKSA-N	435.440	3.523	5	40	IHBB	
C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	2636231	AYEVHBGUORVMSL-SNVBAGLBSA-N	432.845	3.951	5	40	IHBB	
O=C(O)CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	3888054	CGJGMHPJCLONAR-UHFFFAOYSA-N	436.389	3.591	5	40	IHBB	
COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1	9209924	WJWDXWPFSSJJII-ZTCOLXNVSA-N	439.512	3.910	5	40	IHBB	
COc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	17974327	QSOWCLXYIYWSSB-UHFFFAOYSA-N	445.781	3.986	5	40	IHBB	
Cn1nnc2cc(C(=O)O[C@@H](c3ccc(Br)cc3)C(C)(C)[N+](=O)[O-])ccc21	96013376	CTKOIQLFQYQDCW-INIZCTEOSA-N	433.262	3.684	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222529957	LRZSHUIVQRDLGH-JXFKEZNVSA-N	433.530	3.634	5	40	IHBB	
CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408685730	QEGOTGBRWRYOIB-RBUKOAKNSA-N	437.427	3.633	5	40	IHBB	
CN(C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	408959771	FRBJWEQPANLJIS-STZFKDTASA-N	431.452	3.544	5	40	IHBB	
CCOc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	409373699	ZFTBMBUEFQCYLW-UHFFFAOYSA-N	438.230	3.804	5	40	IHBB	
COc1c(F)c(F)c(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(F)c1F	14271951	ZDINQMZSJKMKLD-UHFFFAOYSA-N	447.772	3.776	5	40	IHBB	
CCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O	1890896	QSOCGTBYEFYVQW-XUZZJYLKSA-N	446.507	3.951	5	40	IHBB	biogenic
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C	12653894	HTCCSKZTEHAQOX-OBJOEFQTSA-N	431.411	3.652	5	40	IHBB	
COC(=O)c1ccccc1C(=O)c1ccc(N(C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	24987349	POURGJCVOREIIL-UHFFFAOYSA-N	448.431	3.978	5	40	IHBB	
C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	31535516	GCIRHOJYGFXWQB-AWEZNQCLSA-N	441.875	3.817	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220385564	CKQFRLWVPZSSQO-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
CCCCOC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O	409211659	MLYQIDPQDMNFDT-LDADJPATSA-N	443.481	3.824	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc2sc3ccccc3n12	3329815	BNALSMLAFXFHAV-SNVBAGLBSA-N	429.483	3.980	5	40	IHBB	
CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CC[C@H](C(C)(C)C)C2	12285172	NMHWVCOXDIELRE-LBPRGKRZSA-N	434.518	3.819	5	40	IHBB	
CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])cc1	14231995	DVKIWODDDWVRAH-AWEZNQCLSA-N	433.486	3.766	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1	18209895	MNUHBILPENDACX-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc([N+](=O)[O-])c2)S1(=O)=O	219179649	JYNWRMZSADCPED-UHFFFAOYSA-N	435.461	3.773	5	40	IHBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224912189	QCVMWSRCXMUUBO-OAQYLSRUSA-N	441.528	3.726	5	40	IHBB	
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2	2253756	LVWZWJUXIDAJDN-UHFFFAOYSA-N	427.464	3.727	5	40	IHBB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	3358626	LXBPRGBFEOMIHY-SJLPKXTDSA-N	444.944	3.879	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(O)cc2)c1	6142084	JQAQIFFKMBRNFG-UHFFFAOYSA-N	437.437	3.788	5	40	IHBB	
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	8741647	JPFAGBAZQUWDQJ-QRVBRYPASA-N	429.860	3.895	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c([N+](=O)[O-])c1	9810630	DTMJPJOBUDEOCB-UHFFFAOYSA-N	433.877	3.783	5	40	IHBB	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1	25145497	ONVIWPTZZFAKKI-UHFFFAOYSA-N	425.372	3.886	5	40	IHBB	
COC(=O)/C=C/c1ccc(Oc2ccc(O[C@H]3CCCCNC3=O)cc2)c([N+](=O)[O-])c1	58325940	SCWAMYDTESEBDA-YLZBSDIZSA-N	426.425	3.621	5	40	IHBB	
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)cc1	101016526	MNUHBILPENDACX-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	408608916	MXNQFJZSTXZFTC-LJQANCHMSA-N	449.866	3.751	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O	409239105	GJGCMRSUGGMITF-CXUHLZMHSA-N	447.856	3.932	5	40	IHBB	
O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(F)cc1	8974496	ZIEYAEJTWWFULE-XMSQKQJNSA-N	438.415	3.759	5	40	IHBB	
CCCn1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2nn(-c3ccccc3)c(=O)c-2c1	10062669	IYWKDTLMORVLBX-UHFFFAOYSA-N	435.415	3.848	5	40	IHBB	
CCC[C@H](CC)CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	15905946	GMFPTZPNVNZKBM-AWEZNQCLSA-N	445.969	3.591	5	40	IHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1	32211197	QLEISTLTHCBMJM-AWEZNQCLSA-N	425.514	3.765	5	40	IHBB	
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	220251422	BRKKWLRFSCPFAW-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O	260511747	SFDOYFUSJFRJJH-FQEVSTJZSA-N	445.541	3.643	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl	408566642	FVIPMHIROKKPDH-URVZTXAQSA-N	436.295	3.960	5	40	IHBB	
COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	16216370	ZPGWBRUHLOYVTF-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
Cc1nn(Cc2c(C(=O)Nc3ncc(Cl)cc3Cl)noc2C)c(C)c1[N+](=O)[O-]	17094265	GKJVYPFDQBMLDZ-UHFFFAOYSA-N	425.232	3.707	5	40	IHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C	20634821	SMPNETMSAOULRQ-GOSISDBHSA-N	437.452	3.732	5	40	IHBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O	409351000	VHUUKZLFNNCJMU-SXGWCWSVSA-N	447.856	3.932	5	40	IHBB	
Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1	2246766	UDNFESXRVFAZNT-GOSISDBHSA-N	425.492	3.830	5	40	IHBB	
CCOc1cc([C@H]2C(C(=O)OC)=C(C)N(c3cccc([N+](=O)[O-])c3)C(=O)N2C)ccc1O	12899795	CMHLCSQGCSDERQ-FQEVSTJZSA-N	441.440	3.759	5	40	IHBB	
Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1	13083883	VGXBPSYLTQAABT-INIZCTEOSA-N	428.470	3.522	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCCN1CCCC1=O)c1ccccc1	13146052	NHTHFYGGSRXLBL-HXUWFJFHSA-N	430.892	3.530	5	40	IHBB	
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Br	32119098	NKRAEZXZXVARAF-UHFFFAOYSA-N	438.347	3.786	5	40	IHBB	
CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	223284027	GPUMEPDXIFYABE-NHCUHLMSSA-N	437.525	3.784	5	40	IHBB	
CCC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1	9763171	GTKYBPBWVCFYGE-UHFFFAOYSA-N	425.470	3.714	5	40	IHBB	
CN(C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	11614627	UFXUBPUQNXRGCO-OAQYLSRUSA-N	443.459	3.961	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	14630110	JNGRLFFLRONSCA-SNAWJCMRSA-N	427.329	3.652	5	40	IHBB	
CCc1c(C(=O)N[C@@H]2CCc3ncc([N+](=O)[O-])cc3C2)cnn1-c1cccc(Cl)c1	95996813	FITIWPHHCJXCRJ-OAHLLOKOSA-N	425.876	3.679	5	40	IHBB	
O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1	225563524	ZGYGMOOTDHCYNG-UHFFFAOYSA-N	439.512	3.756	5	40	IHBB	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	408996900	BKAGMEKTTZBGSQ-IBGZPJMESA-N	440.452	3.683	5	40	IHBB	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Cl	8852268	AIUWBUACSPQSGI-UHFFFAOYSA-N	429.857	3.670	5	40	IHBB	
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl	9373636	WTYQZTHKDSUSER-UHFFFAOYSA-N	439.255	3.692	5	40	IHBB	
O=C(N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)C(Cl)(Cl)Cl	33795475	PMSHJIAANBLQAD-UHFFFAOYSA-N	435.739	3.604	5	40	IHBB	
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1	56945853	SLCWLBBCDIUPIC-NRFANRHFSA-N	438.459	3.620	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(F)cc12	13591408	RZIZXBJOEQRCSX-MEKIYTOJSA-N	446.438	3.505	5	40	IHBB	
COc1ccc(CCN/C=C2/C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)c3ccccc32)cc1	19881291	QTDXAXGZTSQUHO-LTGZKZEYSA-N	443.459	3.964	5	40	IHBB	
O=[N+]([O-])c1ccc(F)cc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3	25422652	DFJSZQXJNVKHDB-UHFFFAOYSA-N	430.461	3.852	5	40	IHBB	
O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc([N+](=O)[O-])c1	57327930	DDJHHMGUOCIQLL-UHFFFAOYSA-N	433.449	3.603	5	40	IHBB	
CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc12	58026877	GFVKRSXEIRIOMO-HXUWFJFHSA-N	428.466	3.639	5	40	IHBB	
Cc1c(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220032868	QXLVHVQQMUECNV-MRXNPFEDSA-N	447.557	3.844	5	40	IHBB	
COc1cc(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)c(C)cc1[N+](=O)[O-]	9544853	CTDGSIXVFPTCDG-UHFFFAOYSA-N	430.457	3.770	5	40	IHBB	
O=C(OCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl	9635904	XIFOLXVPRLNOAT-UHFFFAOYSA-N	445.762	3.720	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-]	409155768	MVNYPSBYEGGCSU-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
C[N+](C)(CCNc1cc2n(c(=O)n1)CCc1ccc(O)cc1-2)Cc1ccccc1Cl	1274196	YVAWJMDLIUUZSV-UHFFFAOYSA-O	425.940	3.514	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F)c1ccccc1F	8810715	SARBIXAYNKZTDC-UHFFFAOYSA-N	433.392	3.926	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)cc1	9216025	AYUSIIUDFYQHOF-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(Br)cc2)cc1[N+](=O)[O-]	9392054	FLXYZUGLKAJIRX-UHFFFAOYSA-N	435.259	3.856	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(F)cc12	13591406	RZIZXBJOEQRCSX-UTSGNWPNSA-N	446.438	3.505	5	40	IHBB	
CCNC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1	23136067	NKSXACSBHUVEKI-UHFFFAOYSA-N	440.500	3.598	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1	33632311	RPOYQSWUKRKEDQ-UHFFFAOYSA-N	427.438	3.999	5	40	IHBB	
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(OC)c2)cc1	408572440	RDUFVRZLSGINKJ-LJQANCHMSA-N	430.486	3.712	5	40	IHBB	
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)c1ccccc1	2459602	MZSVRPUAOYRRRL-UHFFFAOYSA-N	425.491	3.764	5	40	IHBB	
O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	3195640	BNPZWSNTWXYBNW-UHFFFAOYSA-N	433.332	3.523	5	40	IHBB	
COc1ccc(OC)c(-c2csc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])n2)c1	9414924	UUTAZSAJCXJYRU-UHFFFAOYSA-N	433.417	3.892	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12	13606950	POVXLQDHLRLHHM-QATBIIFWSA-N	446.438	3.505	5	40	IHBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225752121	HTKDZIRKRNLOHE-DYESRHJHSA-N	441.528	3.868	5	40	IHBB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	408916536	DVRYCLRGZYBBDW-CAOOACKPSA-N	445.409	3.757	5	40	IHBB	
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1	519731956	YDAVPXOFXIUDRL-SANMLTNESA-N	426.472	3.638	5	40	IHBB	
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)CC1=O	10462126	HQOGHDWSLLVOAL-KRWDZBQOSA-N	438.484	3.743	5	40	IHBB	
C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1Br	12553829	ILAPHKKZQDDJDZ-CQSZACIVSA-N	447.333	3.600	5	40	IHBB	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1(Cl)Cl	22190532	QOYWACUMCHPUEV-INIZCTEOSA-N	429.281	3.950	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c(C)c1	408556279	ZYPCVIDTMWYKLS-SFHVURJKSA-N	445.541	3.868	5	40	IHBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1	409095295	HCVCUWQUZCIPQC-WOJGMQOQSA-N	441.465	3.977	5	40	IHBB	
C[C@H](NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccccc1	409263349	MGLQSIMMZCPFLK-KRWDZBQOSA-N	439.493	3.668	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1	1363558	KMDAXCRPAMJXLW-CQSZACIVSA-N	448.888	3.867	5	40	IHBB	
Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nn12	13945852	YFVLSJTUHQTMDO-UHFFFAOYSA-N	449.496	3.922	5	40	IHBB	
Cc1cc(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc(C(C)C)n1	15032944	WHHGCQWOKZMFHM-INIZCTEOSA-N	437.504	3.750	5	40	IHBB	
CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)C1CCCCC1	20039932	HTCFKCBLLRVQPH-UHFFFAOYSA-N	431.514	3.581	5	40	IHBB	
Cc1nc2ccccc2c2c(NC(=O)C3CCN(S(C)(=O)=O)CC3)c3ccccc3n12	22310470	NZRPFCHRNKVCNE-UHFFFAOYSA-N	436.537	3.559	5	40	IHBB	
CC(C)N(C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccccc1	57456089	LQTOEXNWUFCNFO-UHFFFAOYSA-N	433.512	3.707	5	40	IHBB	
O=C1N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	409098535	QOCNKNYTIFGVSN-LFYBBSHMSA-N	438.621	3.814	5	40	IHBB	
CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O	409213890	UGVMMJCNUITNKR-VCHYOVAHSA-N	443.481	3.680	5	40	IHBB	
CC[C@H](C(=O)NCc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222886261	GZIJXDPHAJUMKI-OAQYLSRUSA-N	441.509	3.609	5	40	IHBB	
COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224791849	WDEAJQVEMLDFEA-UHFFFAOYSA-N	448.497	3.593	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1	19343017	PDDOMAIIKJICJH-FQEVSTJZSA-N	439.545	3.670	5	40	IHBB	
CCCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)CC1	12526107	JSGZNXZLIXJSDC-UHFFFAOYSA-N	432.546	3.544	5	40	IHBB	
COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1	13482099	CCTIYJANASKVHL-UITAMQMPSA-N	429.816	3.795	5	40	IHBB	
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	100963487	SJZVHCSHLUOAHU-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1	9597130	GBMBOZWTRPXLST-UHFFFAOYSA-N	426.502	3.595	5	40	IHBB	
COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCCC2)cc1	27583101	BDDREQYGEXRCLC-OAQYLSRUSA-N	427.501	3.716	5	40	IHBB	
CC[C@@H](C)n1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21	16750711	HFRHKGXCTWYQSZ-SJORKVTESA-N	429.524	3.899	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	408656595	FUWLPAHJWZCTEP-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1	17097234	CMGOZZCOZXIFFW-UHFFFAOYSA-N	430.892	3.868	5	40	IHBB	
Cc1ccc(C2=N/C(=C/c3ccccc3I)C(=O)O2)cc1[N+](=O)[O-]	1435636	NFNTUHDCFURQNL-RIYZIHGNSA-N	434.189	3.852	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	13608814	VCXNEAKKKIMUPY-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O	13712593	GPLGIVNPIDUUPJ-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
COc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c(OC)c1OC	18151244	GFTJSQTVEBTNHB-UHFFFAOYSA-N	432.473	3.727	5	40	IHBB	
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)C1	32910910	MJQVEFUCNHRKJH-INIZCTEOSA-N	448.548	3.930	5	40	IHBB	
Cc1c(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-]	220025522	UXDKADZKAXGQII-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	222684445	YJVYRFCQSWQGMA-UHFFFAOYSA-N	427.482	3.933	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1	32932668	MYVOQYYQDHJDSU-SFTDATJTSA-N	444.557	3.849	5	40	IHBB	
COc1cccc(N2CCN(C(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)CC2)c1	9545131	RPPUILXODATFCH-UHFFFAOYSA-N	438.528	3.946	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222524028	DAUDXTNVTUNMKX-MRXNPFEDSA-N	445.419	3.797	5	40	IHBB	
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	15391509	GOYIRDXSABBVMF-UHFFFAOYSA-N	435.458	3.660	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1	10660649	AFIUYIGNAWGKJI-UHFFFAOYSA-N	440.481	3.816	5	40	IHBB	
CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12	20609704	VGFJQZYFDZBWSI-UHFFFAOYSA-N	438.469	3.731	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O	108060888	HNOTUVFMPOGLRS-FRKPEAEDSA-N	449.391	3.557	5	40	IHBB	
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1	223320225	XRYVWVRGNHPBNC-VLCRHTCISA-N	449.536	3.932	5	40	IHBB	
O=C(O)CCSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1	408749168	FBKYTJTYVTYZCZ-UHFFFAOYSA-N	447.450	3.722	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1	10009637	RDMPEXVTLFGDTF-UHFFFAOYSA-N	447.494	3.742	5	40	IHBB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O	409217863	XRJDYNGJIPHGSK-XSHGTHSTSA-N	443.275	3.735	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1c[nH]c2ccccc12	9127843	XBTDZDCARAPWHS-UHFFFAOYSA-N	428.514	3.905	5	40	IHBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(C(C)=O)c1	9442453	YWNXEXVFDRVHOL-GOSISDBHSA-N	449.916	3.941	5	40	IHBB	
CCc1c(C)sc2nc(Sc3ccc([N+](=O)[O-])cn3)n(C[C@@H]3CCCO3)c(=O)c12	12642944	CJBOPRINIOJIFC-ZDUSSCGKSA-N	432.527	3.962	5	40	IHBB	
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14269939	KPVFSGXTXVATSJ-UHFFFAOYSA-N	449.876	3.883	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(NCc2ccccc2)s1	14360959	SLJRGOQRONMVNO-UHFFFAOYSA-N	431.499	3.798	5	40	IHBB	
O=C(Oc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1cccc2ccccc12	33388687	KKGSJPBPUBGITL-JLHYYAGUSA-N	429.388	3.927	5	40	IHBB	
Cc1cccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1	33562982	JSKVBOICYULDGR-UHFFFAOYSA-N	438.528	3.621	5	40	IHBB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1	89365607	PZSQAGWROWIGPF-UHFFFAOYSA-N	442.449	3.648	5	40	IHBB	
O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCN(c2ccc(F)cc2)CC1	12522147	ADIQBIONQAVZMR-UHFFFAOYSA-N	431.467	3.548	5	40	IHBB	
COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)CC1	13096851	HZRWKZXIAXYYLO-UHFFFAOYSA-N	438.528	3.946	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	20049599	OHPOKABKIUUFCC-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	28701280	GSMSGMBSGIANFZ-UHFFFAOYSA-N	426.450	3.754	5	40	IHBB	
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220412778	AGMRJTUQBVOROQ-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1	222364184	IULZBTSBCAIFDG-UHFFFAOYSA-N	445.419	3.799	5	40	IHBB	
C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F	3443560	XMHISVYXUHQDBN-NSHDSACASA-N	443.353	3.617	5	40	IHBB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc([N+](=O)[O-])cc1Cl	13371985	AMEVSOYVZYUHMA-UHFFFAOYSA-N	435.805	3.937	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nc(-c2ccccc2)n[nH]1	23176952	XWYYNQHMHKGDNZ-UHFFFAOYSA-N	445.526	3.706	5	40	IHBB	
CN(Cc1ccc(O)cc1)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	78597183	KPBCIRASLWOREM-UHFFFAOYSA-N	433.464	3.870	5	40	IHBB	
Cn1ccnc1C(=O)c1ccc(NCCc2nc3cc(Cl)ccc3n2C)c([N+](=O)[O-])c1	78806073	ODTVVGMACPUPIV-UHFFFAOYSA-N	438.875	3.754	5	40	IHBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224848905	YFAJBVHPIPGBGO-MRXNPFEDSA-N	447.532	3.911	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1	408666487	ZSJKFILCLVDGKV-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	2091604	LAUHQKWVWDBCBB-ODMCQALKSA-N	432.480	3.560	5	40	IHBB	biogenic
COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	13786577	QZJPUMMCLCPFHZ-QPTUXGOLSA-N	439.512	3.910	5	40	IHBB	
CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1	15131382	MLFPQLCHNVEDQY-UHFFFAOYSA-N	433.486	3.910	5	40	IHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cccc(C(=O)O)c2)CC1	20153247	AQOAYYKQNUZHCJ-UHFFFAOYSA-N	442.497	3.656	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	1547208799	QDQJBHNRFUPYAW-KLGLLFHNSA-N	434.540	3.971	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])c1	18901469	SDZBMNSPSLLMAQ-UHFFFAOYSA-N	434.518	3.963	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Sc1nnc2ccccn12	33747194	FLMDHJDHVVQSNO-UHFFFAOYSA-N	427.467	3.590	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1	408550298	CLLGVXMLMJPKES-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408637917	AVFWPXVAPANYFK-CYBMUJFWSA-N	432.274	3.911	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]	2736684	SQSLLXCHEQRUPN-UHFFFAOYSA-N	438.874	3.758	5	40	IHBB	
Cc1c(N2C(=O)c3ccccc3C2=O)cc(N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-]	3672282	KFFZDMXRXZCVQX-UHFFFAOYSA-N	427.372	3.504	5	40	IHBB	
O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1	9737916	FZMODBALJBLTFU-UHFFFAOYSA-N	434.481	3.621	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	18099609	MXBNLMMPMIDQOU-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	113889787	RUFAXQFJZRGGRZ-UHFFFAOYSA-N	439.660	3.835	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	222506923	OUZVUXGQVKDGKL-INIZCTEOSA-N	443.884	3.879	5	40	IHBB	
CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409345877	LSLSPGDWBUCFRG-YBFXNURJSA-N	442.449	3.921	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	2187948	BEIIURGJHVQQRM-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)ccc1[N+](=O)[O-]	9439779	USRISUWYIQAEQT-HUUCEWRRSA-N	431.514	3.822	5	40	IHBB	
Cc1ccc(NC(=O)[C@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	9581173	BXBWFWDFBOOHFB-LBPRGKRZSA-N	425.363	3.904	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1	13749788	QCMIGTMWYPLPKM-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl	17099247	PDUVYFHCUUCNFK-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C1\CCCN1C	102415227	VRKRUVDOTCIAEX-BMRADRMJSA-N	440.368	3.663	5	40	IHBB	
COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1	218054136	FGVNDYXBWGSZMO-UHFFFAOYSA-N	428.470	3.545	5	40	IHBB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1	408681462	WIZVOMVOJCKYEL-UHFFFAOYSA-N	449.554	3.665	5	40	IHBB	
COCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1	1832668	NDJODSNRFQHBFJ-RCCKNPSSSA-N	449.463	3.697	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCCCC1	9356170	OTJRQXVIQQUGNB-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	14864553	XKVARPHMYQAUEF-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1[N+](=O)[O-]	2502996	MJJYJBCGPXBNIA-NRFANRHFSA-N	425.466	3.919	5	40	IHBB	
CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)ccc21	16817714	YDJWWZKYDSNZBJ-CYBMUJFWSA-N	437.452	3.506	5	40	IHBB	
CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	219701219	CIAHJGXNRZMLSW-UHFFFAOYSA-N	433.873	3.661	5	40	IHBB	
COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C	17057515	YGZNELVIXLJXGW-GQOCTPOGSA-N	447.447	3.572	5	40	IHBB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc([N+](=O)[O-])ccc21	100877352	HEBMMUVGLMQBAK-VZCXRCSSSA-N	442.478	3.525	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1[N+](=O)[O-]	9510779	KPPIQSMZVWWMDF-CQSZACIVSA-N	442.428	3.677	5	40	IHBB	
O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	62580220	OKPFTGVADWUCBK-UHFFFAOYSA-N	431.496	3.616	5	40	IHBB	
O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	95376470	SRNFDYSBDJZXKV-UHFFFAOYSA-N	435.845	3.572	5	40	IHBB	
C[N+]1(CCCCBr)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	106765091	PQDPREKWAAZKID-ONJIMDDYSA-N	425.387	3.621	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222532443	UMZPWBVTWBKIEZ-INIZCTEOSA-N	425.894	3.740	5	40	IHBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222538331	CBZYEYOFJKHKFV-CQSZACIVSA-N	435.933	3.645	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260922465	GTDZHQAEWXZFLE-DYESRHJHSA-N	447.557	3.942	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2C)CC1=O	408639410	GCRAUUUZAQAKJW-LBPRGKRZSA-N	448.273	3.666	5	40	IHBB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1	409264389	FMAIEPSZHIFWQJ-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
CSc1nnc(CNC(=O)c2ccccc2C(F)(F)F)n1-c1ccc([N+](=O)[O-])cc1	2965843	QXLJTBXLSFWANV-UHFFFAOYSA-N	437.403	3.846	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1[N+](=O)[O-]	8948561	XZCQSLJZQYNVDV-QHCPKHFHSA-N	438.484	3.606	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ccc2c(c1)OCCO2	9502322	IFPNURYBZUEDTD-UHFFFAOYSA-N	436.511	3.692	5	40	IHBB	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1N1CCOCC1	12517107	AGQFZGSVXFSSNL-OAHLLOKOSA-N	432.908	3.544	5	40	IHBB	
Cc1nn(Cc2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)c(C)c1[N+](=O)[O-]	19640198	WQTUJCVJRMJOFL-UHFFFAOYSA-N	444.427	3.903	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	101038503	GHOVMVSZIPSWNX-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	101074526	MXBNLMMPMIDQOU-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CCCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21	101078789	YYEOUANQGZQWMQ-UHFFFAOYSA-N	429.524	3.557	5	40	IHBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1CCc1ccccc1	409207905	CJWBPEIGNGENOY-HKWRFOASSA-N	439.493	3.710	5	40	IHBB	
CCOc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OCC	9127380	WUMNYUFBSBCZQZ-UHFFFAOYSA-N	435.502	3.920	5	40	IHBB	
Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-]	57327938	YAZGPVJWDAUUEF-UHFFFAOYSA-N	447.476	3.911	5	40	IHBB	
CC[C@@](C)(CCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C1OCCO1	72307586	HLVSVBMSEZKELL-FQEVSTJZSA-N	443.566	3.653	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	9367579	ZUXWGGGBSBIPCI-GJZGRUSLSA-N	447.513	3.522	5	40	IHBB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(O)c([N+](=O)[O-])c1	15008944	HUUZXGWGIKWGGM-RQZCQDPDSA-N	441.465	3.901	5	40	IHBB	
COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	17095360	PJQXEASIVXRCTO-UHFFFAOYSA-N	427.438	3.999	5	40	IHBB	
COC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1	20412336	FKNBHHQTHMVSJH-UHFFFAOYSA-N	426.454	3.844	5	40	IHBB	
Cc1c(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cccc1[N+](=O)[O-]	24549538	VRWAUDLFLFVKHY-UHFFFAOYSA-N	445.522	3.738	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1F)S(C)(=O)=O	220599994	ZLUGENWXMJMIFV-HNNXBMFYSA-N	429.857	3.571	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1C	408554669	DFBAYBXMGKZCMM-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
Cc1cnc2c(c1)N(C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2	1645488846	UUMNXUGBTYJIDN-UHFFFAOYSA-N	430.464	3.798	5	40	IHBB	
O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)c([N+](=O)[O-])c1	10186617	BYRXETOLCJEDON-UHFFFAOYSA-N	439.859	3.794	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCO[C@@H](c2ccccc2)C1	23888426	JYRSPEYUVDSKBA-JOCHJYFZSA-N	445.541	3.737	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220419020	ALLOAIOOPMUWLM-HNNXBMFYSA-N	447.513	3.709	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223550228	DSCUKFYOGVDICB-KRWDZBQOSA-N	429.542	3.690	5	40	IHBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1nc(-c2ccc(F)c(F)c2)cs1	13112999	NPGGJKKJCVVKHP-UHFFFAOYSA-N	425.394	3.854	5	40	IHBB	
CC(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F	89890984	MTUVYGCYXGCKBS-UHFFFAOYSA-N	429.857	3.571	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1	138804419	GPIVQUSWECVRIH-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222540726	OPBNIELTEXJZAB-FXAWDEMLSA-N	447.557	3.942	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc([N+](=O)[O-])cc1	6878386	ZHWXEKCCEHSYKX-UHFFFAOYSA-N	442.457	3.821	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3	8642090	RAIWSDBXDQLNGR-UHFFFAOYSA-N	430.511	3.513	5	40	IHBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccccc1OC(F)F	9129134	WGBPWZBGRNRVBI-UHFFFAOYSA-N	435.383	3.592	5	40	IHBB	
CN1C(=O)N(CC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)C(=O)C12CCCCC2	24231641	IXTVLWLHRZZPPX-UHFFFAOYSA-N	448.475	3.586	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408676198	AKXUOMWMKJEZJK-QZTJIDSGSA-N	439.855	3.757	5	40	IHBB	
O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)NC[C@H]1CCCO1	9127397	KJDAYXMBODUXRL-LJQANCHMSA-N	438.509	3.835	5	40	IHBB	
COc1ccc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)cc1	9316619	YPMKOHVKGFTRSJ-UHFFFAOYSA-N	430.420	3.922	5	40	IHBB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)C12CC3CC(CC(C3)C1)C2	9630816	VTODRLJLBVOKCY-PXRHCINRSA-N	442.545	3.604	5	40	IHBB	
COc1c(F)c(F)c(C(=O)NC(=S)Nc2c([N+](=O)[O-])ccc(C)c2C)c(F)c1F	17097429	XTLFSQAPXGVIPH-UHFFFAOYSA-N	431.367	3.903	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	30872010	HNGXNGMPFCOBSR-IBGZPJMESA-N	445.541	3.516	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1	32640722	DUXFNMUDNROHOL-IRXDYDNUSA-N	437.930	3.523	5	40	IHBB	
O=C(O)/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	408634055	OGYKXTBWIXDTQA-UUASQNMZSA-N	446.828	3.980	5	40	IHBB	
COc1cccc([C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])N(C)C)c1	9463060	WSAARFFRRVDVEA-KRWDZBQOSA-N	447.435	3.612	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1	9662138	PVOJOFBXZQYJFR-UHFFFAOYSA-N	449.876	3.685	5	40	IHBB	
O=C(CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F	96012985	CPIZWVWYWWXZAA-UHFFFAOYSA-N	432.427	3.552	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	219752708	IZHSKQQCQQYBBP-INIZCTEOSA-N	444.296	3.693	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1	408964914	TYGGPUJAIVHKSY-CHHVJCJISA-N	433.829	3.629	5	40	IHBB	
COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409366370	QUSIHQMCGSICPE-OVCLIPMQSA-N	431.382	3.970	5	40	IHBB	
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	12750884	GGBFDTIEIXMGQR-KOLCDFICSA-N	443.938	3.810	5	40	IHBB	
CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2nc3ccccc3nc21	14901184	MNNWGNWKIXQRFD-UHFFFAOYSA-N	435.487	3.581	5	40	IHBB	
CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1	20610325	QATNOMDZWNYGKK-UHFFFAOYSA-N	433.424	3.745	5	40	IHBB	
Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	223485281	HWAJBDBJKCGYJW-SFHVURJKSA-N	447.557	3.944	5	40	IHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1cccnc1	408575290	IYXOINCSBFQLDV-UHFFFAOYSA-N	436.493	3.792	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408686233	RBCGEDBFAGWRJP-HOTGVXAUSA-N	441.871	3.981	5	40	IHBB	
CC(=O)N1CCN(c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2[N+](=O)[O-])CC1	12561529	KEHXBUNHGQNTOB-OAQYLSRUSA-N	438.528	3.781	5	40	IHBB	
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	14269907	QWZQSBGXEBUAMK-UHFFFAOYSA-N	441.513	3.670	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1	17244621	IQDYCUBWFYTYQL-GASCZTMLSA-N	447.513	3.522	5	40	IHBB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	220397188	KRKFPKHXTDGTCI-YLJYHZDGSA-N	447.557	3.942	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1	408660564	ATJZCZIWNMKOSI-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1Cl	958041	VBYNCCXUONBJID-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)c(C)c1	976384	IFYLLDUWWBOAEG-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1	57317244	ANDAYWATTXFVBM-UHFFFAOYSA-N	447.772	3.532	5	40	IHBB	
CN(C)C(=O)[C@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1ccccc1	5277641	JDIIENKITKQALX-OAQYLSRUSA-N	425.485	3.962	5	40	IHBB	
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20142699	UTHLTMOJUHXIAN-UHFFFAOYSA-N	437.452	3.744	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17099248	BDIDOEAHTMUZAN-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
O=C(COc1ccc(Br)cc1[N+](=O)[O-])Nc1ccc(Cl)c([N+](=O)[O-])c1	1787365	UIZMLBBWAVGFAS-UHFFFAOYSA-N	430.598	3.936	5	40	IHBB	
C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)cc2[N+](=O)[O-])C1	31500333	HAZQOZPPBDFGEG-VQIMIIECSA-N	434.500	3.851	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	9281406	XLNWKKFDQFMZBT-QXGSTGNESA-N	430.420	3.847	5	40	IHBB	
Cc1c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Br)cc1	12748338	LTHQUSGYKHQBCQ-UHFFFAOYSA-N	444.289	3.693	5	40	IHBB	
COC(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c1	15692122	QEFBUQZGTSKXOF-SFHVURJKSA-N	431.514	3.646	5	40	IHBB	
COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)CC3	25892417	XSGGZRAVHGIHNN-UHFFFAOYSA-N	425.466	3.540	5	40	IHBB	
COc1ccccc1-c1cccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1	521960872	MZCHWMFKZGWEQQ-UHFFFAOYSA-N	442.449	3.842	5	40	IHBB	
CCc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	222651873	WWLFEQZPNJSOKV-QGZVFWFLSA-N	447.557	3.889	5	40	IHBB	
CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1C	220037686	ZBADDTJGLQLLTM-GOSISDBHSA-N	433.530	3.554	5	40	IHBB	
COc1ccc(-c2ccc(-c3nnn(CC(=O)Nc4ccccc4[N+](=O)[O-])n3)cc2)cc1	7060301	ONYDZBMKMYIYID-UHFFFAOYSA-N	430.424	3.563	5	40	IHBB	
COc1cc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc(OC)c1OC	9409600	FYDFIWYQCOUNBG-UHFFFAOYSA-N	435.432	3.990	5	40	IHBB	
Nc1cc(N)nc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1	9646285	WPKJXOZEWSRFMH-MRXNPFEDSA-N	430.877	3.675	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O	30754476	DKQMHLDWQCUYKU-IBGZPJMESA-N	433.530	3.573	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1	8782753	LLDIUCJNQHWTMT-UHFFFAOYSA-N	439.493	3.733	5	40	IHBB	
COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C	13607150	YGZNELVIXLJXGW-QATBIIFWSA-N	447.447	3.572	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	14123057	SAASIBGSWLMBKN-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
COc1cc(-c2nnc(Sc3ccc(C(=O)O)cc3[N+](=O)[O-])o2)cc(OC)c1OC	16195298	UVQCFGDYLUFBKK-UHFFFAOYSA-N	433.398	3.520	5	40	IHBB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1[N+](=O)[O-]	16741220	NNYRTBOIMIMSFJ-WQRHYEAKSA-N	435.465	3.985	5	40	IHBB	
O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	59462035	KROMIEJUUBBMIF-UHFFFAOYSA-N	442.325	3.623	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O	106745352	CTEHEUCWYLHBIQ-ZDLGFXPLSA-N	428.422	3.765	5	40	IHBB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1[N+](=O)[O-]	409372838	RJVTZJNJBYMQTL-ZRGHVXQMSA-N	444.443	3.915	5	40	IHBB	
COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc32)c1	524175228	YMZSPOWCPITIEV-UHFFFAOYSA-N	447.447	3.693	5	40	IHBB	
CCn1c(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O	14200911	XWTDCXOKROQMKI-AWEZNQCLSA-N	435.527	3.535	5	40	IHBB	
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(CN2CCOCC2)cc1	13593186	VTFQPJPJKLLOLM-UHFFFAOYSA-N	444.487	3.796	5	40	IHBB	
CC(C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17095914	AOLYYRBZYFKJHL-UHFFFAOYSA-N	428.514	3.682	5	40	IHBB	
C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](COC(=O)CCC3CCCC3)c3ccccc3)C[C@H]1[C@H]1O[C@H]21	104109726	PVUBNLODEIWNLX-XJBUMPMFSA-N	442.576	3.584	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225089235	FARXQQBNMHZQSW-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
Cc1ccc(-n2ncc3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)c(C)c1	8741329	YYUGMJLSBAVNDK-UHFFFAOYSA-N	429.484	3.667	5	40	IHBB	
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O	10187833	ZGHSUQDYHRLUTA-UHFFFAOYSA-N	425.253	3.820	5	40	IHBB	
O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	14728804	BQWFTYAQIZNGLU-UHFFFAOYSA-N	446.511	3.993	5	40	IHBB	
CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1	17096474	KBDRRZXVEAPWGT-UHFFFAOYSA-N	429.483	3.598	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1	408571783	PLYWFXMIIDLRJZ-UWSFRGMNSA-N	447.466	3.973	5	40	IHBB	
Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408667369	QMERVSIUXLQFMM-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
O=[N+]([O-])c1ccc(Oc2ccccc2/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c([N+](=O)[O-])c1	409316648	LUQUCBLUXGKSIX-ALCCZGGFSA-N	441.312	3.575	5	40	IHBB	
COc1cccc(C2=N/C(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)C(=O)O2)c1	9631114	NEBHSHAETCBIST-YBEGLDIGSA-N	434.433	3.889	5	40	IHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	13007519	VQGSWMZAGMBWQD-AWEZNQCLSA-N	440.525	3.855	5	40	IHBB	
COc1cc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1OC	15137095	WHJUYCRZFLFNDE-OAHLLOKOSA-N	443.500	3.787	5	40	IHBB	
CCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1	17095802	BPOHAZAUXWHKFC-UHFFFAOYSA-N	428.470	3.692	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	101105894	TVNKGLFFGUBVSO-ACRUOGEOSA-N	433.395	3.785	5	40	IHBB	
COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224774325	AFWGHMQULQUAMF-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
COCCN(C(=O)Cc1ccc(OC)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	3437613	DBKYUZHKFYEHDX-UHFFFAOYSA-N	427.482	3.949	5	40	IHBB	
O=C(Nc1ccc(Cl)c(Cl)c1)OCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	13601088	HUPHPPBRLKBUGH-UHFFFAOYSA-N	448.284	3.819	5	40	IHBB	
CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21	15935203	ZGOYFIBTCTXWRR-UHFFFAOYSA-N	437.500	3.912	5	40	IHBB	
Cc1nc(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(CC(C)C)c1C	21432536	OUXQBQKOLWSWOB-UHFFFAOYSA-N	431.562	3.505	5	40	IHBB	
O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCOCC3)cc2Br)cc1	34836323	GHXZNXBJKUNKRL-UHFFFAOYSA-N	437.315	3.944	5	40	IHBB	
COc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1	224540405	FCQUQEGVTBXSLG-UHFFFAOYSA-N	441.465	3.585	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2F)cc1	408565356	BUKTVMDUURNHJC-JSAFGSNCSA-N	447.466	3.973	5	40	IHBB	
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1	9707635	RVYWDMXTLAHKKU-UHFFFAOYSA-N	444.450	3.515	5	40	IHBB	
CN1C(=O)[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21	95929396	NMJRGNIBOOEVDL-OAQYLSRUSA-N	447.426	3.696	5	40	IHBB	
COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21	100872527	ZZMDNLZWXAZIFN-ICFOKQHNSA-N	442.316	3.823	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223880645	ZIJBLWDKAAICKG-ZDUSSCGKSA-N	438.311	3.998	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408566366	NRRFMMNDTYKTEA-QFZRFWILSA-N	447.466	3.927	5	40	IHBB	
CCCCCN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	1890897	QSOCGTBYEFYVQW-QPPBQGQZSA-N	446.507	3.951	5	40	IHBB	biogenic
COc1ccc([N+](=O)[O-])cc1-n1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21	8871092	LBLYJMIYTVSABC-UHFFFAOYSA-N	448.483	3.849	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O	10188109	BFHUUDRXDVQDLD-UHFFFAOYSA-N	430.420	3.614	5	40	IHBB	
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12654390	DNVORZGSSWXUAT-UHFFFAOYSA-N	436.877	3.898	5	40	IHBB	
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	14152609	RMXAAFAXDTULAL-UHFFFAOYSA-N	443.485	3.525	5	40	IHBB	
Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1C	16311935	FMSYIUJASYTTGQ-UHFFFAOYSA-N	432.933	3.702	5	40	IHBB	
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1	16476676	LUHGGQFGCQXNMS-UHFFFAOYSA-N	430.464	3.810	5	40	IHBB	
O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1O	39768551	NIMBVCGKNQANSA-UHFFFAOYSA-N	445.391	3.855	5	40	IHBB	
Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	101114861	NMDCUQHAPVTSMT-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1	214764842	GCUAZGPDCFXJLT-GZTJUZNOSA-N	427.438	3.669	5	40	IHBB	
O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1	8818425	WZRWFZGHAWYLQW-QGZVFWFLSA-N	444.919	3.802	5	40	IHBB	
Cc1nnc(SCc2ccccc2)n1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17102274	FESBBSVTGMZUJY-UHFFFAOYSA-N	438.513	3.771	5	40	IHBB	
CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)sc2c1CCCC2	219822884	PKRRITJFLMDODZ-UHFFFAOYSA-N	434.470	3.738	5	40	IHBB	
COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	408903375	RZSIDINCKCMWJC-ODLFYWEKSA-N	446.444	3.561	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Nc2ncccc2[N+](=O)[O-])cc1	9127383	HFISWYVNYXTWCM-UHFFFAOYSA-N	429.414	3.751	5	40	IHBB	
C[C@H](OC(=O)/C=C/c1cnc2ccccc2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9612517	YHIZMKJLHVEHBS-LZGFCCKTSA-N	426.816	3.775	5	40	IHBB	
O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1	15243514	SNSIRHGVORAZAM-NSHDSACASA-N	448.810	3.842	5	40	IHBB	
Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-]	22460572	SZBBVHPTBYCOFR-CQSZACIVSA-N	437.905	3.596	5	40	IHBB	
Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n(-c2ccc([N+](=O)[O-])cc2)n1	57722058	CANOVSCVASWQTA-UHFFFAOYSA-N	426.376	3.909	5	40	IHBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	100123850	NCUNSLYYVYSWPP-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
Cc1ccc(C)c(NC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)c1	101158839	WGCGKMRBAINNEL-UHFFFAOYSA-N	439.475	3.639	5	40	IHBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223086258	OSLMTKPPDUGCKG-DEOSSOPVSA-N	445.519	3.914	5	40	IHBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224246482	LCHXQFIHYMPDRP-INIZCTEOSA-N	431.920	3.980	5	40	IHBB	
O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	409178883	ONSYHYJPIFQUGJ-UHFFFAOYSA-N	432.388	3.727	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(O)c2)cc1	3104091	ZBJPCGHADYQLJZ-UHFFFAOYSA-N	437.437	3.788	5	40	IHBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NC(c1ccccc1)c1ccccc1	9464423	HDCHRWCURUDIDA-UHFFFAOYSA-N	446.492	3.789	5	40	IHBB	
C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13522681	OITLREMYHFSLEM-SECBINFHSA-N	426.303	3.526	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1	32640721	DUXFNMUDNROHOL-DLBZAZTESA-N	437.930	3.523	5	40	IHBB	
CNS(=O)(=O)c1ccc(NCc2ccccc2COc2ccccc2)c([N+](=O)[O-])c1	8706729	MHMVQRPUBUSTPJ-UHFFFAOYSA-N	427.482	3.694	5	40	IHBB	
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	9064659	FJVOQNRFUNZMFU-UHFFFAOYSA-N	443.485	3.929	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O	13847526	GJCVEJJBDMHHFP-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
O=[N+]([O-])c1cccc([C@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccccc2)c1	20506828	BBJPPDOLVXDEKW-GOTSBHOMSA-N	435.505	3.897	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(-c3noc(C)n3)cc2)c([N+](=O)[O-])c1	32739701	NNJSRYWXOBNRCN-UHFFFAOYSA-N	432.458	3.776	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223197789	NSHWFUXJJXXOPV-LJQANCHMSA-N	433.505	3.521	5	40	IHBB	
COc1cc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)ccc1[N+](=O)[O-]	224664191	AXFFHSUQJXZUSM-UHFFFAOYSA-N	432.483	3.765	5	40	IHBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1	738377	PQRMCTKNSZFJHY-UHFFFAOYSA-N	430.464	3.810	5	40	IHBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	2658145	XVHGMCCRJCUTLN-UHFFFAOYSA-N	435.527	3.500	5	40	IHBB	
C[C@H](C[N+]1(C)CCCCC1)OC(=O)CCCCC(=O)O[C@H](C)C[N+]1(C)CCCCC1	5528905	MYRKMZPLEWKEQK-FGZHOGPDSA-N	426.642	3.671	5	40	IHBB	biogenic,in-vitro
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	9059447	XZLPNYBYOKTEAM-UHFFFAOYSA-N	433.877	3.687	5	40	IHBB	
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1	19927868	UBBBJYXROKIWSC-UHFFFAOYSA-N	434.275	3.873	5	40	IHBB	
O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc([N+](=O)[O-])c1	1311801	RRBAPTZEWUOCQT-UHFFFAOYSA-N	436.493	3.871	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)COc1ccc(Cl)cc1Cl	3234702	NKOCDAJIMJKBTF-SNVBAGLBSA-N	443.239	3.859	5	40	IHBB	
CC1CCN(c2ccc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc2[N+](=O)[O-])CC1	18005171	MXJLZJFLAXKIPW-SFHVURJKSA-N	425.485	3.743	5	40	IHBB	
COc1ccc(CCN2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1OC	100032230	TXMIREQOUMZOEL-HRAATJIYSA-N	429.498	3.585	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	113882843	KIWGHFQRQOGXSZ-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C)cc1	224013337	WTCBGKWCNIPFDN-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C1N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1c1ccc(Cl)cc1	409245282	QHMLMFOCJDTYAX-AWNIVKPZSA-N	438.621	3.814	5	40	IHBB	
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21	8768824	CHWAWFQKIKBUGK-UHFFFAOYSA-N	427.438	3.582	5	40	IHBB	
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)cc1	12776778	ZEPQVHAWQCAZJS-HOCLYGCPSA-N	436.424	3.611	5	40	IHBB	
CN(C(=O)COC(=O)c1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2Cl)CCCCC1=O	21577799	WRPRYPZNZYJVQF-JOCHJYFZSA-N	444.871	3.902	5	40	IHBB	
CCCOc1c(Br)cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1OCC	409318294	VKTHWPSTQUCWRC-AATRIKPKSA-N	440.250	3.916	5	40	IHBB	
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	10253038	GVIBHFRWVOOXBT-UHFFFAOYSA-N	431.495	3.693	5	40	IHBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(-c2nc3ccccc3o2)cc1	12748334	LKQDKKNVMNHZEP-UHFFFAOYSA-N	442.387	3.638	5	40	IHBB	
CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1	12925545	BYAZNXRCQMFXST-LJQANCHMSA-N	440.452	3.910	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)c1	101100307	KVWRTGLPXOMTMP-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	222685348	LTDRNKLEZBUTLD-UHFFFAOYSA-N	445.419	3.799	5	40	IHBB	
Cc1nc2n(c(=O)c1CC[N@+]1([O-])CC[C@@H](c3noc4cc(F)ccc43)CC1)CCCC2	252584763	CQQKMRDMDXQQRT-JIBAXXMISA-N	426.492	3.603	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cccc(C)c1	408597169	XVRSVUZXTRTXER-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O)Nc1ccccc1Cl	409254075	WLBFQDFNGGXSKD-OVCLIPMQSA-N	433.829	3.629	5	40	IHBB	
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1	9990433	DSLMSBCVSWFRML-UHFFFAOYSA-N	442.493	3.580	5	40	IHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(Br)cc3)nc12	10010656	SVLPZQMUSKHNCK-UHFFFAOYSA-N	438.259	3.993	5	40	IHBB	
CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1[N+](=O)[O-]	78814968	QEUKGNUYDSPAFU-UHFFFAOYSA-N	446.529	3.842	5	40	IHBB	
C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4ccccc4)n32)C1	9347736	XRGALRUTLHXNFJ-LBPRGKRZSA-N	449.565	3.842	5	40	IHBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCC1	9357269	SSIFSZDXPSPDCV-ZJSXRUAMSA-N	444.491	3.704	5	40	IHBB	biogenic
Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	13401862	WROCCZSXBJEQFR-UHFFFAOYSA-N	432.893	3.720	5	40	IHBB	
COc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1OC	16784731	IVUPTFRJVAIWCN-AWEZNQCLSA-N	440.456	3.814	5	40	IHBB	
CCc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	220280912	HUISIFLELRIPDD-LBPRGKRZSA-N	425.894	3.604	5	40	IHBB	
CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	224171329	CYUXLBCKGUEMDN-UHFFFAOYSA-N	429.429	3.811	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1	8832607	ZVCTUSUHCCHGOU-IZZDOVSWSA-N	446.463	3.802	5	40	IHBB	
Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])ccc12	9713915	CHRVLQJISGTZCJ-UHFFFAOYSA-N	430.438	3.586	5	40	IHBB	
CC(C)CN1CCC(Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1	12516744	FVOYABQFOSWNBB-UHFFFAOYSA-N	438.594	3.548	5	40	IHBB	
COc1ccc(Nc2ncnc(Nc3ccc(OC)cc3OC)c2[N+](=O)[O-])c(OC)c1	16215573	QRSRJWBMHNRCTC-UHFFFAOYSA-N	427.417	3.906	5	40	IHBB	
COC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=N)sc2c1CCCC2	17095358	DOYGRFMKJXLBOT-UHFFFAOYSA-N	427.438	3.800	5	40	IHBB	
O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	17096440	VOEPVSRHDOMGHB-UHFFFAOYSA-N	429.458	3.620	5	40	IHBB	
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	18067336	GFEQTTSYRQKZLP-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	48365174	PRECAMVPMMDSQL-FQEVSTJZSA-N	428.448	3.963	5	40	IHBB	
Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	408603895	DJXZIRAMAOHJGJ-UHFFFAOYSA-N	446.312	3.610	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	823223	OOGLDNSTGLWODG-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225078082	STHUPPPPEUVIKY-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O	409173675	PZDRCUGFEMLHFB-CXUHLZMHSA-N	447.856	3.932	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl	409235959	DMNGEYHXIQISTJ-OVCLIPMQSA-N	433.829	3.629	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1	8846778	JTWMYISAEVAVMX-UHFFFAOYSA-N	430.313	3.721	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1cccc(Br)c1	9125240	UPBPLNUFYDUTDW-UHFFFAOYSA-N	427.276	3.934	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl	9639584	WVSQFISZEAOQMC-UHFFFAOYSA-N	426.654	3.769	5	40	IHBB	
CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCOCC1	9907773	ZMFNUBCBQDXPRI-UHFFFAOYSA-N	433.848	3.514	5	40	IHBB	
Cc1cc(=O)c(C(=O)NCC2(c3ccccc3)CCCC2)nn1-c1ccccc1[N+](=O)[O-]	22839146	LKFCARXHBNLTHP-UHFFFAOYSA-N	432.480	3.691	5	40	IHBB	
C[C@H]1CCCN(c2ccc(C(=O)NCCNc3ncnc4sccc34)cc2[N+](=O)[O-])C1	32928040	SSXFZZIDCITHEI-AWEZNQCLSA-N	440.529	3.678	5	40	IHBB	
CCN1CCC[C@H](Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1	48325649	ZIJUAIFXZPKIBD-KRWDZBQOSA-N	432.546	3.909	5	40	IHBB	
COC(=O)/C=C/c1ccc(Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)c([N+](=O)[O-])c1	58325938	SCWAMYDTESEBDA-VLUHHTHFSA-N	426.425	3.621	5	40	IHBB	
COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	837148	WJFVYKJKIVLALW-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc4cccc(Cl)c34)CC2)cc1	8856166	COFLALQJXFXHKJ-UHFFFAOYSA-N	431.901	3.912	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C1=O	9158192	LYHURZVPPLFWJW-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc(F)ccc2F)cs1	9640516	LFFVOGJLFCGIPI-UHFFFAOYSA-N	432.408	3.755	5	40	IHBB	
CN1C(=O)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21	13732837	GLXOCJNYTLJXSA-NRFANRHFSA-N	429.436	3.556	5	40	IHBB	
Cc1c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	14412658	IYJCQJVUUVAWAP-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1	20154359	ADHRWAMOEXCIPI-UHFFFAOYSA-N	432.480	3.836	5	40	IHBB	
CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC	108989786	CRBZEOQYQBZIDV-UHFFFAOYSA-N	442.209	3.859	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	113885201	NOUPHQLMMJJOMQ-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1	409158092	XPMMGCBTAILPRF-SXGWCWSVSA-N	447.856	3.932	5	40	IHBB	
O=C(N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21	21991919	JZUZJVFERQWLNC-HXUWFJFHSA-N	448.431	3.835	5	40	IHBB	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1	32774321	IGGWGHPOKXPLCJ-NFAWXSAZSA-N	430.461	3.558	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(F)cc1	408574064	UNJYRVRIBSIMJK-UWSFRGMNSA-N	447.466	3.973	5	40	IHBB	
Cc1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	409265101	SGQINKVZRKQFPQ-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
O=C(Nc1ccc(F)cc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	727070	STCDBMAPUZBROM-FQEVSTJZSA-N	433.395	3.580	5	40	IHBB	
Cc1cc(OCc2ccc(/C=C3/N=C(S)N(C[C@H]4CCCO4)C3=O)o2)ccc1[N+](=O)[O-]	2804772	ZBRFSIWDDZGTIA-VHWUNXFSSA-N	443.481	3.723	5	40	IHBB	
CCc1c(C)sc2nc(Sc3ncccc3[N+](=O)[O-])n(C[C@@H]3CCCO3)c(=O)c12	9121288	WJCOPRDTEXLPCO-LBPRGKRZSA-N	432.527	3.962	5	40	IHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC(c2nnc3ccccn23)CC1	28738115	UJMWFIJSVLCYDR-UHFFFAOYSA-N	437.503	3.604	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc([N+](=O)[O-])ccc1Cl	34298079	DZWGRMNVRLNNKB-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222541038	KPFTVVHFLGWFSP-HXUWFJFHSA-N	447.557	3.505	5	40	IHBB	
O=C(O)/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nc2ccccc2o1	408633670	LKYIYBZOUPWQCO-PDGQHHTCSA-N	427.438	3.790	5	40	IHBB	
CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19499733	CZRLCKMMEREIRD-IBGZPJMESA-N	441.561	3.700	5	40	IHBB	
C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	58160161	MPGKGSOQFJYAHQ-CQSZACIVSA-N	433.306	3.507	5	40	IHBB	
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222491877	GOAIOWIXBLYGCR-CQSZACIVSA-N	435.933	3.645	5	40	IHBB	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1	628608	VEGCMRRTCKDGEJ-BTYIYWSLSA-N	434.452	3.956	5	40	IHBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCC1	2113496	SSIFSZDXPSPDCV-XUZZJYLKSA-N	444.491	3.704	5	40	IHBB	biogenic
C[C@@H]1CCCN(c2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2[N+](=O)[O-])C1	12578808	VBMADQNARQWGQR-MRXNPFEDSA-N	438.484	3.721	5	40	IHBB	
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	102734233	GFEQTTSYRQKZLP-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
CCn1c(Cc2ccc(OC)c(OC)c2)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-]	408637419	KDKJCFFQODPNNJ-UHFFFAOYSA-N	428.470	3.778	5	40	IHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	408644120	DQIGCXZDCZCEKF-SNVBAGLBSA-N	443.239	3.859	5	40	IHBB	
CCN(CC)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	8685327	BZKDRXCDYUNFMC-IBGZPJMESA-N	449.349	3.969	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccc(F)cc12	15971299	RZIZXBJOEQRCSX-ZHRMCQFGSA-N	446.438	3.505	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1	27743425	ARFBUAWOYAPQSG-MRXNPFEDSA-N	443.308	3.731	5	40	IHBB	
COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	30529950	AXSDIQXLKPUKDE-UHFFFAOYSA-N	434.392	3.748	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408684441	NIBKBCWMMODZPL-IRXDYDNUSA-N	439.855	3.757	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c([N+](=O)[O-])cc1OC	409051056	HQWCJIHGCZATKO-WQRHYEAKSA-N	430.438	3.727	5	40	IHBB	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	16319185	UWBFNXPKVGGZPF-HNNXBMFYSA-N	437.452	3.649	5	40	IHBB	
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1cccc(C)c1C	46761104	ICKXMPMGFGTKKU-UHFFFAOYSA-N	438.440	3.592	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	222362850	CXPDYMWTIXKZNO-UHFFFAOYSA-N	429.857	3.572	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222540664	OPBNIELTEXJZAB-PXNSSMCTSA-N	447.557	3.942	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	248232417	AVKPDODUWHDKSE-NCYKPQTJSA-N	445.475	3.725	5	40	IHBB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)cc1[N+](=O)[O-]	409372834	RJVTZJNJBYMQTL-PTRHGPIFSA-N	444.443	3.915	5	40	IHBB	
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2N)cc1	9612881	PUVALCWXEFVENP-NSHDSACASA-N	432.893	3.648	5	40	IHBB	
CCOc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-]	17095244	BDOQJLKJOJYTST-UHFFFAOYSA-N	427.198	3.554	5	40	IHBB	
C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57460467	WADBDVCFFQOIIO-AWEZNQCLSA-N	441.438	3.570	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)c(C)c1	101344643	UZMHWRCYDRIPMH-GMAHTHKFSA-N	440.459	3.994	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@H]3C2=O)c1	102734796	QCMIGTMWYPLPKM-BHDDXSALSA-N	429.432	3.954	5	40	IHBB	
CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	223066682	QEICAPBAIRHHOW-ZJNRKIDTSA-N	436.541	3.538	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1	409310348	AMBLHGZOWGQXAR-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)nn1	9787098	TVZVBKLMFMVJJU-UHFFFAOYSA-N	446.872	3.751	5	40	IHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)c1)[C@@H]1CC[C@@H]2C1	102641252	PPRKBCRKRWLLLW-BLDHALOPSA-N	430.420	3.847	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl	408566637	FVIPMHIROKKPDH-JFOWBMAOSA-N	436.295	3.960	5	40	IHBB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)S1	408803133	LNWULHNKLLEEFO-UHFFFAOYSA-N	436.853	3.734	5	40	IHBB	
O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1ccncc1	8792304	IYQBAUYNJYMIPF-UHFFFAOYSA-N	434.455	3.682	5	40	IHBB	biogenic
Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-]	20439821	MSEAESLRYULSML-UHFFFAOYSA-N	439.907	3.686	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCCC3	28608053	FIAYTOKARUZIAE-UHFFFAOYSA-N	444.538	3.996	5	40	IHBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225644752	SUPGPICOCHSPRA-OXQOHEQNSA-N	429.492	3.999	5	40	IHBB	
O=[N+]([O-])c1cc2c(c(CSc3nnc([C@@H]4COc5ccccc5O4)o3)c1)OCOC2	19297017	SGJUZXMFJIRATG-INIZCTEOSA-N	429.410	3.649	5	40	IHBB	
CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1	21421672	CJASEDMDACRYBK-CYBMUJFWSA-N	442.424	3.533	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	113884033	DDRHUJXDMJDSBA-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	408603859	BUERPDTWXSKIMK-LJQANCHMSA-N	449.866	3.751	5	40	IHBB	
O=[N+]([O-])c1ccc(Oc2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c([N+](=O)[O-])c1	409340593	ZVTBPRDQTMUQCP-BAQGIRSFSA-N	441.312	3.575	5	40	IHBB	
Cc1c(NC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n(-c2ccccc2)n1C	3196858	MUDCHNCLVYWKHK-DHZHZOJOSA-N	444.394	3.646	5	40	IHBB	
CC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cc1	9829067	RFLUCJKBAKXZNG-UHFFFAOYSA-N	448.464	3.633	5	40	IHBB	
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	15390017	APQFRAKCNARDFW-UHFFFAOYSA-N	445.541	3.932	5	40	IHBB	
Cc1cc(-n2c(C)cc(/C=C/C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c2C)no1	21585636	DVVYJXDEXMJLCW-VMPITWQZSA-N	438.440	3.802	5	40	IHBB	
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	218489391	MFGSYHXFMOXCNI-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2F)cc1	408565358	BUKTVMDUURNHJC-POIRLRRGSA-N	447.466	3.973	5	40	IHBB	
C[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1	828598	SCGYVEFHWKCGPE-ZHRRBRCNSA-N	443.459	3.680	5	40	IHBB	
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2ccccc2)cc1=O	10255039	JBVZALBDGGYBAY-UHFFFAOYSA-N	425.466	3.696	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCN(Cc2ccccc2)C1	33010789	HXUCBRAPVKIESD-AWEZNQCLSA-N	429.420	3.575	5	40	IHBB	
CC(C)N(Cc1ccccc1)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57593706	NXLFUCFTCROTRA-UHFFFAOYSA-N	447.539	3.702	5	40	IHBB	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1	408664752	JXZRVQSFGRYLQS-UHFFFAOYSA-N	449.847	3.548	5	40	IHBB	
S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CN(Cc1ccccc1)CC4	2259060	QAVXENAEWWZXJJ-UHFFFAOYSA-N	425.568	3.870	5	40	IHBB	
C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1Br	12553832	ILAPHKKZQDDJDZ-AWEZNQCLSA-N	447.333	3.600	5	40	IHBB	
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])s3)nc12	22997314	BSVOKIDQSFQNRW-UHFFFAOYSA-N	446.554	3.944	5	40	IHBB	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1	32806415	YRUSLSRXGWEFLN-UHFFFAOYSA-N	448.273	3.941	5	40	IHBB	
CCOc1ccccc1C(=O)NCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12	2630466	RCLDMRLTPNNNIS-UHFFFAOYSA-N	431.444	3.818	5	40	IHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-]	16097090	LQMFJQHJDFIZJQ-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1	17097235	OHSQSZQQVXKUHA-UHFFFAOYSA-N	430.892	3.868	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102755059	FKUSPIUAIQCNHS-XPWALMASSA-N	443.459	3.950	5	40	IHBB	
Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	222365672	WNSDEWMBVRWDIS-QGZVFWFLSA-N	433.530	3.635	5	40	IHBB	
CCc1ccc(NC(=O)COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1	408602766	DPZZXPQTEZAZJX-KPKJPENVSA-N	436.424	3.546	5	40	IHBB	
COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)n3C)oc12	409345056	JZFXBGYZOSCQTJ-UHFFFAOYSA-N	439.453	3.876	5	40	IHBB	
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1OC	20759973	HXRQZHXOYAAXKL-UHFFFAOYSA-N	444.469	3.625	5	40	IHBB	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	48265390	IRLKLUOKJQMGRR-SFHVURJKSA-N	449.529	3.643	5	40	IHBB	
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])cc1Cl	218122184	MMYHTBPTGLGRDH-UHFFFAOYSA-N	437.637	3.991	5	40	IHBB	
COc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1	3223938	ODMCWJRQUMRGMT-UHFFFAOYSA-N	445.431	3.546	5	40	IHBB	
Cc1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	9662706	YGAYRZKASAPGEP-UHFFFAOYSA-N	435.484	3.635	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12	12491060	IYFDPZVTUNMYCL-UHFFFAOYSA-N	428.499	3.903	5	40	IHBB	
COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)s2)cc1	12589230	VQGVJZUGZUHELQ-UHFFFAOYSA-N	438.509	3.998	5	40	IHBB	
COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccc2c(c1)OCO2	16751430	WKFVKCBLLLXJDE-UHFFFAOYSA-N	447.340	3.702	5	40	IHBB	
CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc([N+](=O)[O-])c1	219476286	RIPURFRVUOZGQO-UHFFFAOYSA-N	437.477	3.972	5	40	IHBB	
CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1	220423706	QWWISWYWVCWLHR-UZLBHIALSA-N	433.530	3.634	5	40	IHBB	
Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc(C)c1Br	408640900	KEPQXASPYIANEX-CYBMUJFWSA-N	432.274	3.966	5	40	IHBB	
CCCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1)CCCC3	6481650	KNPAWYQVIQZJKQ-UHFFFAOYSA-N	426.498	3.972	5	40	IHBB	
C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4ccccc4)n32)C1	9347735	XRGALRUTLHXNFJ-GFCCVEGCSA-N	449.565	3.842	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1F	9349677	FIFWEEJBBWAZQK-NJDAHSKKSA-N	433.395	3.785	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)cc1	13527616	VQNPDXVEFHSWCR-UHFFFAOYSA-N	439.493	3.967	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	13803563	QYGAIPNYDYKXHJ-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1[N+](=O)[O-]	14379076	JUHMVTTXEQGYQW-LJQANCHMSA-N	439.468	3.534	5	40	IHBB	
Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cccc1[N+](=O)[O-]	40150291	CGLDABCKURHUCA-UHFFFAOYSA-N	447.289	3.552	5	40	IHBB	
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1O	106766821	SXUKKVNRMYNBRN-BOPFTXTBSA-N	430.438	3.814	5	40	IHBB	
Cc1c(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	408694442	HBUCMSXEVSMCBT-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
CC(C)CCNC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc12	9360306	KKGYVWVLNIVCLD-UHFFFAOYSA-N	436.447	3.979	5	40	IHBB	
C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O	35986339	DYCVHPNIVNFPDL-HHQWOOOKSA-N	429.454	3.684	5	40	IHBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1	57317243	ZFIJDXJHEBFMOH-UHFFFAOYSA-N	447.772	3.532	5	40	IHBB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224943604	ATNZGFWUKYLLQH-NRFANRHFSA-N	425.529	3.759	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408676154	AETKJPDMURMFQU-CALCHBBNSA-N	439.855	3.757	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-]	3293822	QBVRVHCKPFTJED-UHFFFAOYSA-N	434.275	3.889	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-]	6297628	ZCRRQGQINWVHQV-UHFFFAOYSA-N	428.514	3.716	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(-c2nnco2)cc1	13096926	MIMFXCIQUDRCAI-UHFFFAOYSA-N	430.442	3.612	5	40	IHBB	
Cc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	13574989	VUIDHBLRYRHDEZ-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57536182	GHLRIJZPUFSUOH-CQSZACIVSA-N	441.438	3.570	5	40	IHBB	
CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	223283974	GPUMEPDXIFYABE-LEWJYISDSA-N	437.525	3.784	5	40	IHBB	
COc1cc(-c2nnc(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OC)c1OC	9666487	AQMVMHBSMOICKW-UHFFFAOYSA-N	449.803	3.681	5	40	IHBB	
O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cc([N+](=O)[O-])ccc1Cl	10186649	OSEFOZXVTFKBEO-UHFFFAOYSA-N	439.859	3.794	5	40	IHBB	
Cc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	18152241	FKUSPIUAIQCNHS-VABKMULXSA-N	443.459	3.950	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222361814	DNTHWPGIHZBXGO-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl	225565616	ULJSXIZEXRFWNG-UHFFFAOYSA-N	434.876	3.960	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260507815	OPBNIELTEXJZAB-YLJYHZDGSA-N	447.557	3.942	5	40	IHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)c1	408666075	NPVWBAXLMNKNQH-UHFFFAOYSA-N	449.847	3.548	5	40	IHBB	
CC1(C)C[C@@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)OC(C)(C)OC2=O	9111391	SFVZXKJJWUYETE-ULYRPOKDSA-N	428.485	3.747	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3c(C)cc(=O)oc3c2)c([N+](=O)[O-])c1	15208270	NKPUMPPSYFJACX-UHFFFAOYSA-N	432.454	3.832	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl	107806658	HVXCFXCOAHRDLJ-JTQLQIEISA-N	432.285	3.516	5	40	IHBB	
C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2	222985729	OJUVNMMQBZKZPR-HZPDHXFCSA-N	445.541	3.506	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c(C)c1	408550590	DQTSWTAAPIYMCB-GOSISDBHSA-N	445.541	3.868	5	40	IHBB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])N(C)C2=S)cc1	409038213	DZRAAWORXSCOBE-YVLHZVERSA-N	443.481	3.615	5	40	IHBB	
COc1cc(CCC2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc(OC)c1	9118649	SXUVDAILXMTVFK-UHFFFAOYSA-N	448.541	3.865	5	40	IHBB	
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	9631707	IEXUTVUUTYGHKN-UHFFFAOYSA-N	433.877	3.687	5	40	IHBB	
Cc1cn(C[C@@H](O)COc2ccc(Cl)cc2Cl)c(=O)n1-c1cccc([N+](=O)[O-])c1	58202010	FFYHPQBILYFJEC-MRXNPFEDSA-N	438.267	3.602	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	101112255	XLNWKKFDQFMZBT-LNMJFAINSA-N	430.420	3.847	5	40	IHBB	
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1nc2ccccc2s1	9403397	BWBLONDQLYESFI-UHFFFAOYSA-N	426.454	3.600	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1	9907844	DLBJTAWIVHQVNO-RMKNXTFCSA-N	439.468	3.650	5	40	IHBB	
CNc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1[N+](=O)[O-]	10323391	QTJLLFZXZVCQIJ-UHFFFAOYSA-N	439.497	3.849	5	40	IHBB	
CC(C)(C)OC(=O)NCCCC(=O)O[C@@H](C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-]	14982721	RWDPHHHAJOLVBA-QGZVFWFLSA-N	438.477	3.826	5	40	IHBB	
CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	17096898	STOSEZQOOFLYIY-UHFFFAOYSA-N	430.486	3.859	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)c1	101100305	KVWRTGLPXOMTMP-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
Cc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	222558275	URZNRYQRQWWWSR-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl	224789772	LXIHXEMIJPFXOU-UHFFFAOYSA-N	426.878	3.949	5	40	IHBB	
NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	12515072	LQLYEFMEOCXULD-UHFFFAOYSA-N	436.390	3.568	5	40	IHBB	
CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-]	25820812	VSUPLOOHTZMVEP-UHFFFAOYSA-N	449.488	3.577	5	40	IHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	105394618	IYSBPSLRKSFRGI-UHFFFAOYSA-N	445.388	3.662	5	40	IHBB	
Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	222377094	QQTJGPNDGCBFSM-GOSISDBHSA-N	447.557	3.944	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(Cl)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222519670	DVLSPBVJCHCTIU-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
CCOc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	1807628	XPUQMJMEKMQMMR-UHFFFAOYSA-N	425.441	3.789	5	40	IHBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1OC	11326292	KVBIXDCKQDWCOS-UHFFFAOYSA-N	429.473	3.790	5	40	IHBB	
C[C@@H]1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C[C@@H](C)O1	9067085	FMFLTPRZTDLLPY-HUUCEWRRSA-N	430.482	3.539	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1	408551363	KKSBTSOJTOKFEB-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	409208478	BYAVTTVLIZXZIN-BOPFTXTBSA-N	429.454	3.760	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	15411071	RSFNHWHNJXNWBK-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1	8601904	IQROHGNVYMOSDW-HXUWFJFHSA-N	433.436	3.777	5	40	IHBB	aggregator
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1	628601	VEGCMRRTCKDGEJ-QVKFZJNVSA-N	434.452	3.956	5	40	IHBB	
COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)c1	2252727	CAEPUVRLVANMKV-UHFFFAOYSA-N	429.480	3.957	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1[N+](=O)[O-]	9463205	QLYOWCNYIFPFJE-GJZGRUSLSA-N	447.513	3.522	5	40	IHBB	
O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Br)ccc3O)n2)c2nonc12	408603383	GHABSVGHGYEFEW-UHFFFAOYSA-N	435.219	3.535	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408682137	IZONQLBWPARQLE-CALCHBBNSA-N	441.871	3.981	5	40	IHBB	
O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3179869	JIWDGDMRHXXPFK-UHFFFAOYSA-N	438.377	3.985	5	40	IHBB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	9119879	SNKUCCNYXPHZJD-NRFANRHFSA-N	433.468	3.795	5	40	IHBB	
CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCc1ccc([N+](=O)[O-])cc1	9327599	SOLZEMYGWZQPHB-UHFFFAOYSA-N	427.486	3.688	5	40	IHBB	
O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9335204	TVHHPDWNIDQLQU-UHFFFAOYSA-N	437.124	3.765	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1	9442503	SBOMHYMKVJJLDL-MRXNPFEDSA-N	443.529	3.984	5	40	IHBB	
COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	13786581	QZJPUMMCLCPFHZ-GMKZXUHWSA-N	439.512	3.910	5	40	IHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc2[N+](=O)[O-])CC1	21595410	PGRIOAAJDGIZNX-UHFFFAOYSA-N	438.528	3.916	5	40	IHBB	
CCOc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)c([N+](=O)[O-])c1	22079138	BVAHEXODRDWKAH-UHFFFAOYSA-N	429.483	3.982	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(F)cc12	36331892	VRQIOTWNTSFMEU-AYPBNUJASA-N	435.411	3.703	5	40	IHBB	
CC(C)(C)OC(=O)NC[C@H](Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CCCCC1	72275432	JFOFAHQLYUUURO-KRWDZBQOSA-N	431.493	3.717	5	40	IHBB	
O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	2071955	OUWAMHYZWZMSAK-UHFFFAOYSA-N	440.433	3.605	5	40	IHBB	
Cc1nn(CC(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c(C)c1[N+](=O)[O-]	3414339	GFARCDHEOWUDIM-JOCHJYFZSA-N	441.415	3.898	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17096441	HKIKZPKGBXRLHH-UHFFFAOYSA-N	429.458	3.538	5	40	IHBB	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	21325556	LLOXSQTZCSQTMP-UHFFFAOYSA-N	445.419	3.571	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-]	22029450	UCUGWTXIRPSVMD-UHFFFAOYSA-N	433.420	3.951	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260511875	SUHLOCIZTLDTMC-OXQOHEQNSA-N	433.530	3.634	5	40	IHBB	
CCNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	408736373	BFZUQJJQFVJZFI-JOCHJYFZSA-N	431.492	3.590	5	40	IHBB	
CN(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	12605239	UWJNPZJAZSBVHT-UHFFFAOYSA-N	440.481	3.714	5	40	IHBB	
CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	16045559	TZURFKGWYUADHD-UHFFFAOYSA-N	437.246	3.976	5	40	IHBB	
CCCC(=O)Oc1cn(CCN2CCOCC2)c2nc(CCC)n3c4ccccc4nc3c12	20403668	WBOSRCQPEPHGDE-UHFFFAOYSA-N	449.555	3.827	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCc1nc2ccccc2n1C(F)F	72313940	GZZBYYBJZSBDSM-UHFFFAOYSA-N	446.382	3.991	5	40	IHBB	
COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)c(C)nc21	2246183	MVJJVUKJQQXYCK-UHFFFAOYSA-N	427.508	3.996	5	40	IHBB	
CCOC(=O)CNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	8782227	SVXMFLYGAAGNPP-UHFFFAOYSA-N	448.284	3.677	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(Nc2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])c1	12536412	NKRLOXSYTNFNBC-UHFFFAOYSA-N	432.502	3.717	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-]	12552597	YHJJKKJFVNRFFW-UHFFFAOYSA-N	442.375	3.609	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-]	12992992	PGCKSLQNRMMELE-CYBMUJFWSA-N	433.511	3.781	5	40	IHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	13008545	KYOCDGYYPDZYDT-QGZVFWFLSA-N	439.512	3.945	5	40	IHBB	
Cc1cc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)ccc1Br	36391062	ODFZSDQYKKQKOP-ZDUSSCGKSA-N	432.274	3.966	5	40	IHBB	
O=c1c2ccccc2nc(SCCOc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1	40127416	RKTWYHJDEITGAI-KRWDZBQOSA-N	427.482	3.655	5	40	IHBB	
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H](c1ccc(F)cc1)c1cccs1	58246273	NFJDVUOUCNDOGZ-FQEVSTJZSA-N	437.456	3.960	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	409178590	LNMSSIUKHOSUEX-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1	8778335	PWPKSYLGQWGDKK-OAHLLOKOSA-N	441.465	3.557	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C	12653900	HTCCSKZTEHAQOX-MBNYWOFBSA-N	431.411	3.652	5	40	IHBB	
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)cc2[N+](=O)[O-])C1	12657701	FONNFORFBBUXHO-IRXDYDNUSA-N	437.496	3.966	5	40	IHBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	16384037	AIEVBUBMNGDHFJ-UHFFFAOYSA-N	439.324	3.739	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	101091605	KQVZEZIPDVBIAL-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	223292510	DHCQDKBWABVIEA-NHCUHLMSSA-N	437.525	3.784	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1	225075192	RAGPZEULJPRFKS-UHFFFAOYSA-N	442.449	3.975	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-]	409365890	PPEQPXMEOVCCPV-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccco1	9290887	MPHNNDIJQLAPEM-UHFFFAOYSA-N	436.424	3.529	5	40	IHBB	
C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	12750901	GGBFDTIEIXMGQR-GXSJLCMTSA-N	443.938	3.810	5	40	IHBB	
CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1	40146703	MOWKQXFGUHJCCH-UHFFFAOYSA-N	443.275	3.725	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	220197308	HHHQRJDGKCOSOU-LBPRGKRZSA-N	445.419	3.715	5	40	IHBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225454494	NUUHBDXVNHPERR-QGZVFWFLSA-N	429.542	3.770	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1	408532061	NFCLXPBDKSOCCB-GOSISDBHSA-N	439.493	3.787	5	40	IHBB	
CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1	4966687	QOHSIRMHWRDYIF-UHFFFAOYSA-N	425.485	3.835	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	9955288	CYYJKJYOSSUBEO-UHFFFAOYSA-N	435.502	3.665	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14269581	CXKNCZWBUQRXDB-UHFFFAOYSA-N	443.485	3.929	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	139152543	ULQWDEVSJCJVLY-RTBURBONSA-N	439.855	3.757	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(F)cc1)c1cccs1	9244831	RSROPSYVOOIRMO-FQEVSTJZSA-N	427.457	3.821	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1	14359879	QDSVGYRSVYGSHC-UHFFFAOYSA-N	432.907	3.602	5	40	IHBB	
Cc1ccccc1N1CCN(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)CC1	20265898	FELYSGANDAJJBZ-XSFVSMFZSA-N	438.509	3.719	5	40	IHBB	
COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c([N+](=O)[O-])c(OC)c1OC	24391980	PPHMJARPRUMLKT-UHFFFAOYSA-N	443.500	3.883	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1	101174718	UGOQNYOQKXHMQB-FKBYEOEOSA-N	429.432	3.642	5	40	IHBB	
CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	223590606	UYXXRJMWPYALNK-UHFFFAOYSA-N	430.486	3.763	5	40	IHBB	
COc1cc(C(=O)OCCOc2cccc(Br)c2)c([N+](=O)[O-])cc1OC	3376544	DMYFYPSRIJCOFS-UHFFFAOYSA-N	426.219	3.610	5	40	IHBB	
Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	9660489	VHHQWYBFLQGWAP-UHFFFAOYSA-N	429.436	3.866	5	40	IHBB	
O=C(c1nc2ccccc2s1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	11025989	JZSFJBQTAZYNGT-UHFFFAOYSA-N	425.495	3.777	5	40	IHBB	
Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cccc1[N+](=O)[O-]	20489036	PJBHDXHSDZXUQS-IBGZPJMESA-N	445.541	3.516	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1	57315847	RFPMDDPXZUSUIG-UHFFFAOYSA-N	444.494	3.862	5	40	IHBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408687648	URWLJMYFNBTUIU-MDASCCDHSA-N	439.443	3.713	5	40	IHBB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OC	409354251	AZQAPAHNIUQAEH-LICLKQGHSA-N	428.422	3.531	5	40	IHBB	
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cccc([N+](=O)[O-])c1)n2CC	9138806	VEUYYRDSZJSOHY-UHFFFAOYSA-N	428.470	3.872	5	40	IHBB	
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	10010431	MHNPTVNXYWWEOZ-UHFFFAOYSA-N	437.283	3.822	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCNc1nc2ccccc2s1	30587674	FNXYCZKVAPGXEK-UHFFFAOYSA-N	447.542	3.513	5	40	IHBB	
Cc1cc(Cl)c(S(=O)(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-]	95461950	CEZGSKGATYSALB-QGZVFWFLSA-N	428.869	3.582	5	40	IHBB	
Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl	220363819	ZWVDOCBRZIPLBZ-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O	409361066	PWIKTAFFHNPOSD-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
CC1CCC(NS(=O)(=O)c2ccc(NC[C@@H](O)c3ccccc3)c([N+](=O)[O-])c2)CC1	9963604	VXHKIUQVASJCII-AEJJIKPWSA-N	433.530	3.597	5	40	IHBB	
O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	17096444	QMAMFRMMJOWGSX-UHFFFAOYSA-N	429.458	3.620	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1	19928333	ZUVAYYXXBRBIGF-UHFFFAOYSA-N	444.469	3.913	5	40	IHBB	
CC1CCN(c2ccc(C(=O)NC(=S)Nc3cccc(C(=O)O)c3)cc2[N+](=O)[O-])CC1	20153085	LPYDIDIDFIWIGE-UHFFFAOYSA-N	442.497	3.656	5	40	IHBB	
O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc([N+](=O)[O-])cc1	9738816	NXVITZCQTVTEGC-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	10187825	HANMIAFSTDKCJC-UHFFFAOYSA-N	428.788	3.619	5	40	IHBB	
COC(=O)CSc1nc2nc(-c3cccc([N+](=O)[O-])c3)cc(-c3ccc(F)cc3)n2n1	20635847	KHSSTCMKCYXRBW-UHFFFAOYSA-N	439.428	3.771	5	40	IHBB	
CCCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21	101159982	KGYUSKDEAATWLY-UHFFFAOYSA-N	447.514	3.696	5	40	IHBB	
Cc1ccc(Cn2c(=O)c3ccccc3n3c(Sc4ncccc4[N+](=O)[O-])nnc23)cc1	9512278	MRPHAAAIWFXJCQ-UHFFFAOYSA-N	444.476	3.855	5	40	IHBB	
Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C	408850195	HWNNNPSZSIRVEY-QGZVFWFLSA-N	437.905	3.657	5	40	IHBB	
COc1cc(CCNC(=O)CCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OC	10340792	VAERWRIMULRGFE-UHFFFAOYSA-N	425.441	3.559	5	40	IHBB	
O=C(COCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)cc1	12468776	GAIRIQRKZKGCJS-UHFFFAOYSA-N	435.436	3.768	5	40	IHBB	
CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2[N+](=O)[O-])CC1	16004376	SYHRDTQQPTVEKK-UHFFFAOYSA-N	428.514	3.733	5	40	IHBB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)NC(=S)N1	72328184	XIHLVSYXFRBRDM-FQEVSTJZSA-N	441.509	3.918	5	40	IHBB	
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)C1	408976451	RHMAAQWOGNVPKS-QGZVFWFLSA-N	429.524	3.985	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O	13546499	XUGPEGSRLDOGCN-LICLKQGHSA-N	427.438	3.587	5	40	IHBB	
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(c2nc3ccccc3s2)CC1	15534378	INDXQDAHHMPNFO-UHFFFAOYSA-N	425.466	3.996	5	40	IHBB	
O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	65564156	JWQVUBHSCHDXKX-UHFFFAOYSA-N	427.258	3.962	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102755061	FKUSPIUAIQCNHS-DNVJHFABSA-N	443.459	3.950	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl	408564028	CBLXWIRGHAOWMZ-FOPRYUNUSA-N	436.295	3.914	5	40	IHBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Br)cc1F	3349591	NCAMOSQANYWFFU-UHFFFAOYSA-N	431.601	3.945	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1CCOCC1	9907814	XHUIISKCZSHWAQ-UHFFFAOYSA-N	427.457	3.559	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])CC1	12311902	KIEBDDNOSGPSEV-UHFFFAOYSA-N	427.413	3.779	5	40	IHBB	
Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@H]2c1cccc([N+](=O)[O-])c1	105330245	DHCOGLDJSQFDKJ-QGZVFWFLSA-N	444.373	3.919	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223880596	ZIJBLWDKAAICKG-CYBMUJFWSA-N	438.311	3.998	5	40	IHBB	
CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21	225731238	CHBQEYNYBKJJDQ-UHFFFAOYSA-N	427.891	3.835	5	40	IHBB	
O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	32119136	DASWQYAFEPVWML-UHFFFAOYSA-N	431.213	3.642	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	33663309	QUXMQDIZLNSQQE-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
COC(=O)/C=C/c1ccc(Oc2ccc(I)nc2)c([N+](=O)[O-])c1	79106211	MSZYBXBWTRJDPU-XVNBXDOJSA-N	426.166	3.573	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C1=O	101136386	LYHURZVPPLFWJW-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225089593	XRDBWVYDWNRSJX-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	9387049	SCHOVIFPBIINEM-CLVCIHKQSA-N	434.452	3.981	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1	102730193	WHVDSSFOLVXIRF-ACRUOGEOSA-N	433.395	3.785	5	40	IHBB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	408960349	FDTDNTYCWVCFRB-ODLFYWEKSA-N	447.403	3.954	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cccc([N+](=O)[O-])c1	409137923	XGSXUBPAQSKGMM-UHFFFAOYSA-N	442.457	3.821	5	40	IHBB	
COc1cc([C@@H](C)OC(=O)c2ccc(C=O)cc2)c([N+](=O)[O-])cc1OCCCC(=O)O	1903936809	JEWOVFKXRCWUID-CYBMUJFWSA-N	431.397	3.578	5	40	IHBB	
COC(=O)c1cc(C)sc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C	2795696	OTVNBXBEWMHUGR-UHFFFAOYSA-N	428.470	3.865	5	40	IHBB	
CC1CCC(NS(=O)(=O)c2ccc(NC[C@H](O)c3ccccc3)c([N+](=O)[O-])c2)CC1	9963602	VXHKIUQVASJCII-GRXDXKALSA-N	433.530	3.597	5	40	IHBB	
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	12653970	ITVUZZCTNQXFNV-UHFFFAOYSA-N	436.877	3.898	5	40	IHBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(S(=O)(=O)N2CCCC2)cn1	18061715	OJICHKIEQYJKGW-UHFFFAOYSA-N	433.433	3.944	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	20611835	FEOBKNHEDMHOFN-UHFFFAOYSA-N	438.396	3.852	5	40	IHBB	
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102718613	MNUHBILPENDACX-BHDDXSALSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	224787784	IRJANLAVKTVGIO-UHFFFAOYSA-N	426.450	3.850	5	40	IHBB	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(Cl)cc1Cl)C2=O	9042636	WGSSOYLGCBLEPL-QGZVFWFLSA-N	433.251	3.899	5	40	IHBB	
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	10810135	IYILUWICIQHJIZ-GFCCVEGCSA-N	436.390	3.814	5	40	IHBB	
CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	33178711	NKQCJYDSTATVHB-UHFFFAOYSA-N	426.654	3.721	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	101192050	QYGAIPNYDYKXHJ-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	408582010	KZEUFBNIMWGGLQ-UHFFFAOYSA-N	445.476	3.964	5	40	IHBB	
O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2463949	ILECNSXOIJSCDA-UHFFFAOYSA-N	442.229	3.996	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	10008719	JDLDZXCMAQKUJI-UHFFFAOYSA-N	445.541	3.516	5	40	IHBB	
CC[C@@H](C(=O)NCc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222886208	GZIJXDPHAJUMKI-NRFANRHFSA-N	441.509	3.609	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224779042	ZZCKDBQCOYLSEV-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	32049842	WGQOSFXQOHCNKY-UHFFFAOYSA-N	430.468	3.572	5	40	IHBB	
Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl	408665670	VMFOGOVIXCUEDX-UHFFFAOYSA-N	433.848	3.766	5	40	IHBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-]	408668798	FGYJORNBRWUKGZ-UHFFFAOYSA-N	428.441	3.755	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C	24717568	YPLLBJUUEAJCTL-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	30013273	ONHALIKFVTYQGA-UHFFFAOYSA-N	443.467	3.966	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)cc1Br	95397962	XUJXLIPRTZLOSF-UHFFFAOYSA-N	441.307	3.543	5	40	IHBB	
CCc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	109015776	JJNTVVSJTCRWSG-UHFFFAOYSA-N	432.933	3.648	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O	220513678	QPGAKJZUWVRSET-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1	408596483	QALVNSGPDVGMNY-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@@H]1CCCO1	8792364	SNFQBHRFUKTLQS-WBVHZDCISA-N	441.487	3.654	5	40	IHBB	biogenic
COc1cc(CN(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1	12999980	DMGWAIVGQPYREU-UHFFFAOYSA-N	446.463	3.827	5	40	IHBB	
CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(NC(C)=O)c1	20847215	CGMNJTLRUJVFAA-UHFFFAOYSA-N	425.470	3.807	5	40	IHBB	
Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	408608944	NDTPWJUDNFRWQM-HXUWFJFHSA-N	445.903	3.921	5	40	IHBB	
O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)c([N+](=O)[O-])c1	9318110	FZIDYCWDTAQRQS-UHFFFAOYSA-N	447.241	3.591	5	40	IHBB	
O=C(COc1cccnc1[N+](=O)[O-])N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	9510030	RXWSBEZXYDCIMM-MRXNPFEDSA-N	426.816	3.993	5	40	IHBB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	24941422	GBEIMTSFQCLFKE-UHFFFAOYSA-N	437.422	3.550	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408688087	VSLBNNYPAWZLNE-HOTGVXAUSA-N	439.855	3.757	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	409018938	ZKJPYIOZKOZFIQ-XDHOZWIPSA-N	446.419	3.695	5	40	IHBB	
COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1	409191973	RLCNWHSBTWMPGI-NVMNQCDNSA-N	442.453	3.827	5	40	IHBB	
Cc1ccc(F)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	828604	SHTFAHKIGYXQSX-NRFANRHFSA-N	447.422	3.888	5	40	IHBB	
COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)c1	2483561	RRWMXHDCKPQITQ-UHFFFAOYSA-N	426.454	3.797	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	9192038	PPRKBCRKRWLLLW-ATNYCFDYSA-N	430.420	3.847	5	40	IHBB	
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	15881999	SSEWUYCTTLCUGF-SFHVURJKSA-N	434.470	3.740	5	40	IHBB	
CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	3135800	GMLHUKOTIJYIOG-UHFFFAOYSA-N	445.431	3.894	5	40	IHBB	
Cc1sc2ncnc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)c2c1C	9492863	NXDQASPPVXRPPG-UHFFFAOYSA-N	437.275	3.996	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O	10361343	BOKNVBMFFWNQTR-UHFFFAOYSA-N	439.493	3.975	5	40	IHBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Cl	17096661	CAIFISXKLSIFPC-UHFFFAOYSA-N	429.683	3.642	5	40	IHBB	
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	17099709	JPJGTWAFNWXWOI-UHFFFAOYSA-N	435.736	3.906	5	40	IHBB	
CCOC(=O)C1=C(C)N(Cc2cccnc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	40152353	KDPKHGDUWCWZSW-SFHVURJKSA-N	430.848	3.747	5	40	IHBB	
CC(C)c1nc2cc(N(C)C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc2o1	95465473	MLYMKGVRBPYOCW-UHFFFAOYSA-N	428.470	3.713	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O	220386042	GEAPUXIAFCNCLX-GFCCVEGCSA-N	445.419	3.715	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O	220733633	BJVVWAJPNOUKLB-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408914180	VYMGXGOWSBRVLX-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	409272500	QRVOTEOZIHPWLD-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Br)cc1Br	864574	BHWURBRHJAIUSD-UHFFFAOYSA-N	426.020	3.920	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	9192037	PPRKBCRKRWLLLW-QXUMQBBKSA-N	430.420	3.847	5	40	IHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Br)cc2)NC(=O)N1	12619124	WRIGELPTMLWGPX-MRXNPFEDSA-N	431.246	3.624	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1	16347434	YGTKMGVYADKEMX-UHFFFAOYSA-N	447.513	3.532	5	40	IHBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)c1	18246759	KKWLEQOPCNKWOY-BHIFYINESA-N	445.431	3.655	5	40	IHBB	
COc1ccc(CCN2CN=C(Sc3ccc([N+](=O)[O-])cc3Cl)NC2)cc1OC	31769107	BOPXTJVOITWCBE-UHFFFAOYSA-N	436.921	3.776	5	40	IHBB	
CCN(C)Cc1cccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1	48311286	SAADTHZWSMVMRP-UHFFFAOYSA-N	446.573	3.833	5	40	IHBB	
Cc1cc(C(=O)Oc2ccccc2NC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-]	3583307	NBJKTKMAGJGFAH-UHFFFAOYSA-N	437.433	3.683	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O	13714772	XSXVDMAQXNPYAV-INIZCTEOSA-N	425.894	3.740	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1	22258856	LLFFIBCXBZSAGV-AWEZNQCLSA-N	437.905	3.596	5	40	IHBB	
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1	101161438	IUBSSFKBBGUYPW-UHFFFAOYSA-N	447.926	3.503	5	40	IHBB	
COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)[nH]c2c1	16044505	WOHGJWTYZIFTHW-UHFFFAOYSA-N	437.275	3.973	5	40	IHBB	
O=C(OCc1nc(COc2ccc(F)cc2)no1)c1cc([N+](=O)[O-])ccc1N1CCCC1	23382100	YOAUNZWXGRBITI-UHFFFAOYSA-N	442.403	3.653	5	40	IHBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	100123852	NCUNSLYYVYSWPP-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)C(=O)O2)cc1	880328	ZEMUHXRJHHPPGS-OVCLIPMQSA-N	430.214	3.660	5	40	IHBB	
O=C(COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCC1=CCCCC1	9121299	AFHPSYXBUXJNGD-UHFFFAOYSA-N	429.395	3.575	5	40	IHBB	
COc1cccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)c1OC	9404484	WOEUVTSHBLHVNM-UHFFFAOYSA-N	426.454	3.797	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1	13145299	FMLNHKNYBKUGPO-YRNVUSSQSA-N	441.465	3.627	5	40	IHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(NC(C)=O)c1	19929455	OIAADGDZOSVCIW-UHFFFAOYSA-N	440.485	3.562	5	40	IHBB	
COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)nn1	22484695	GJIWHWHSGJQQFS-MRXNPFEDSA-N	433.468	3.916	5	40	IHBB	
Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl	218270635	LOZOWRHFZXOEOF-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	223292402	DHCQDKBWABVIEA-RTWAWAEBSA-N	437.525	3.784	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408687568	UQHIYFSOBYEOAN-IAGOWNOFSA-N	441.871	3.981	5	40	IHBB	
CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12	9030721	LPGGCGWAMPTSGN-UHFFFAOYSA-N	430.438	3.902	5	40	IHBB	
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cc([N+](=O)[O-])ccc1Cl	9441573	QIKZWIWDCIVEQR-UHFFFAOYSA-N	448.819	3.552	5	40	IHBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NCC(F)(F)F	9511895	IETCPMDRSBPMDI-UHFFFAOYSA-N	428.367	3.843	5	40	IHBB	
Cc1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-]	13149130	LZCCNWRDKSXDFF-UHFFFAOYSA-N	426.450	3.948	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCC[C@H]2CCc2ccccc2)c(S(=O)(=O)N2CCCC2)c1	40153826	GYAJPJVTUCIUBU-IBGZPJMESA-N	429.542	3.981	5	40	IHBB	
CCSc1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222529875	IAHYBVRKRBWFJY-KRWDZBQOSA-N	437.543	3.890	5	40	IHBB	
COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O	409124335	BLSOZESVNRWBNH-YBFXNURJSA-N	444.465	3.865	5	40	IHBB	
CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	8856029	NSCHFNQBWLZBPA-UHFFFAOYSA-N	444.429	3.587	5	40	IHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc12	10010607	HKQDLZLQOPPONS-UHFFFAOYSA-N	443.441	3.974	5	40	IHBB	
O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	10333859	XTGCGCDRHUFLAY-QFIPXVFZSA-N	432.480	3.640	5	40	IHBB	
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	11614687	CZOIWNFHIFITGG-IBGZPJMESA-N	441.871	3.852	5	40	IHBB	
CN1CCN(c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1	12564710	CJNMXNYIUYHTBS-UHFFFAOYSA-N	437.327	3.926	5	40	IHBB	
COc1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1OCc1ccc(Cl)cc1	13482076	GAWOOLVLADRLLB-YFHOEESVSA-N	429.816	3.795	5	40	IHBB	
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611883	VAOVKARGRHJIQW-UHFFFAOYSA-N	426.256	3.756	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	39546092	YEHTUEKZADAJCS-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223639915	NUQDEAYCJNKJJU-QGZVFWFLSA-N	429.542	3.690	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565368	JZEOZYJXRGHPOL-JHMXWDHMSA-N	447.466	3.927	5	40	IHBB	
Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	990443	ROJGOTFYFSUOQH-UHFFFAOYSA-N	444.399	3.744	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(C)(=O)=O)cc2s1	59489712	POQNWCJPRQMNHL-UHFFFAOYSA-N	425.513	3.877	5	40	IHBB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=S)n1nnc2ccc([N+](=O)[O-])cc21	214373997	VETHVWLHXKQIRS-MRXNPFEDSA-N	427.486	3.651	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F	222657740	VXYXYAGJUHVTOX-UHFFFAOYSA-N	429.857	3.572	5	40	IHBB	
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	409000378	WCALBJLZTRMOME-FOIQADDNSA-N	428.441	3.662	5	40	IHBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	409067979	RYOUDYPXBONGSW-VBEHJTROSA-N	442.449	3.772	5	40	IHBB	
CC(C)CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	8769578	WVURHXBQJVJIRJ-ZJSXRUAMSA-N	446.507	3.807	5	40	IHBB	biogenic
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1F	17101703	YPVOBFSIMBGOBO-UHFFFAOYSA-N	437.758	3.940	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	113883160	WHHMURSYFSGXRV-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC	408567787	RISFEVHOJAEPTN-ASLXYRGWSA-N	437.496	3.539	5	40	IHBB	
Cc1nn(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	2731606	XDUBXVWYKMFHFX-UHFFFAOYSA-N	448.871	3.780	5	40	IHBB	
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	19643187	VBEVNLQWHCAPFJ-UHFFFAOYSA-N	445.435	3.887	5	40	IHBB	
O=C(c1ccccc1O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	59402465	WWXFZFBDZWUAIG-UHFFFAOYSA-N	446.507	3.917	5	40	IHBB	
COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1	95481733	SAVQKEGHSNRNBW-XUZZJYLKSA-N	442.431	3.952	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408564425	CTZLCAYQFSRUGT-PBXXJUDPSA-N	429.476	3.788	5	40	IHBB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	102709076	BTYKVKZKPFZZEW-PCCBWWKXSA-N	433.395	3.785	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1OC	6878388	OLJPCMNBBRAXRS-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9064794	DPMBGDMBESCCHU-UHFFFAOYSA-N	449.876	3.883	5	40	IHBB	
Cc1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	14412500	KNIBBNOFIPWBGL-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	15882001	BUXIUKNWQCZEDO-SFHVURJKSA-N	434.470	3.740	5	40	IHBB	
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	15961906	RWZIYJQWQUWXBT-UHFFFAOYSA-N	440.334	3.611	5	40	IHBB	
COc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	24392604	MNZAKZFCSXELQR-OAQYLSRUSA-N	425.485	3.867	5	40	IHBB	
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C	787063	YSSVEQKWJJZZPY-CYBMUJFWSA-N	427.486	3.827	5	40	IHBB	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1	3418662	SYCRUWQKULPPOY-HXUWFJFHSA-N	441.440	3.929	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1	9708254	RSPWEANNLLPOOZ-IBGZPJMESA-N	429.523	3.739	5	40	IHBB	
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)n1	9829249	WOZSIIFMORAHLG-UHFFFAOYSA-N	427.438	3.775	5	40	IHBB	
CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc([N+](=O)[O-])cc2c1OCOC2	12987301	BCTJZRADRWSIRO-UHFFFAOYSA-N	426.256	3.839	5	40	IHBB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)C1	17296886	PRLSKQPHGIYKQR-OAHLLOKOSA-N	442.497	3.695	5	40	IHBB	
COc1cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1OC[C@@H]1CCCO1	40153080	MSHIFLCYLDCAON-INIZCTEOSA-N	425.441	3.573	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1Cc1ccccc1	100562484	JZKWMYLBDZSCOC-BDTNDASRSA-N	429.432	3.642	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225081658	ZUIFCLCTRJTKMX-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)Nc1cccc([N+](=O)[O-])c1	408664343	QCLZLVQENCHASD-UHFFFAOYSA-N	439.346	3.514	5	40	IHBB	
CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1	2916127	YLYJSDZTNVCQLZ-GOSISDBHSA-N	425.832	3.829	5	40	IHBB	
CN1CCN(c2ccc(C(=O)NC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)cc2[N+](=O)[O-])CC1	4687591	USSACIZHIQBDOP-MDQWUCQQSA-N	426.561	3.825	5	40	IHBB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	16035743	LXBPRGBFEOMIHY-FUHWJXTLSA-N	444.944	3.879	5	40	IHBB	
O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1[N+](=O)[O-]	17100194	PRXKTKYSXDGQAP-UHFFFAOYSA-N	436.493	3.871	5	40	IHBB	
O=C1/C(=C/NNc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1c1ccc(Cl)cn1	33014731	PWSDSHGCBKOVQQ-FOWTUZBSSA-N	435.827	3.788	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl	408564030	CBLXWIRGHAOWMZ-OPURJYLOSA-N	436.295	3.914	5	40	IHBB	
CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	408713919	CQBLMHXQDGCHDG-UHFFFAOYSA-N	430.486	3.763	5	40	IHBB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1	409002652	OWQNPDHRUDPVGS-OAQYLSRUSA-N	432.432	3.882	5	40	IHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1	2222437	HGXDIFJAZUGSRD-UHFFFAOYSA-N	427.508	3.964	5	40	IHBB	
COc1ccc(Cn2c(-c3ccco3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1	2434180	CUMRKQQJHRKDGD-UHFFFAOYSA-N	430.416	3.828	5	40	IHBB	
COc1ccc(NC(=O)COC(=O)CCOc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	9492921	RDMQGCUMEVWGJY-UHFFFAOYSA-N	430.457	3.852	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1	15265798	QIFLIMUCIMJIAH-JOCHJYFZSA-N	449.507	3.949	5	40	IHBB	
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	31817294	FDZGJGOWTUXRGB-UHFFFAOYSA-N	445.401	3.762	5	40	IHBB	
COc1ccccc1[C@@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1)N(C)C	35681901	HSPQIXLORZNSSP-MRXNPFEDSA-N	441.467	3.573	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1	223265678	CDEWIYMQCJYYSG-UHFFFAOYSA-N	437.477	3.907	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O	224059458	MNOSXXCMCUZUQS-UHFFFAOYSA-N	439.493	3.560	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225078194	MTLCKGGNAVXHAV-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CCN(CC)CCOC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	2026463	KYTLSZJSZPSBFM-UHFFFAOYSA-N	442.497	3.955	5	40	IHBB	
CCN(CC)[C@@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Cc1ccccc1	36394782	BFAHEGXPSAPCCR-NELJVSICSA-N	439.512	3.544	5	40	IHBB	
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12	36548504	LIUYHHHECMEOLP-XVWGUNQUSA-N	446.438	3.505	5	40	IHBB	
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)c([N+](=O)[O-])c1	217874539	BZBHZARQNTUOSZ-UHFFFAOYSA-N	437.637	3.991	5	40	IHBB	
CCOC(=O)COc1c(Br)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC	408542129	HJKLNDFARXWZBO-AATRIKPKSA-N	441.234	3.775	5	40	IHBB	
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)OCc1ccccc1	408736978	KMHYOASOUYBSON-NRFANRHFSA-N	425.485	3.881	5	40	IHBB	
O=C(NCCC1=CCCCC1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	678496	DGCARAWFRHBMSY-QFIPXVFZSA-N	447.491	3.809	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2c(ccc3ccccc32)oc1=O	3178566	FPMCTDXSJXJUGL-UHFFFAOYSA-N	448.500	3.983	5	40	IHBB	
C[C@@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccccc1	10325968	NIKIZZVRIQJVTA-OAHLLOKOSA-N	437.477	3.987	5	40	IHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Br)cc2)NC(=O)N1	12619128	WRIGELPTMLWGPX-INIZCTEOSA-N	431.246	3.624	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	408675150	ACTCBVDHHURAID-KODHJQJWSA-N	430.420	3.847	5	40	IHBB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1C	409356556	HVABIHUCOBRKDC-RQZCQDPDSA-N	427.438	3.592	5	40	IHBB	
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12	10010265	RQCULFXKHLTSNS-UHFFFAOYSA-N	438.469	3.893	5	40	IHBB	
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2nc3c(cc2c1=O)COC(C)(C)C3	13752113	IEWBJPKTHJKEOV-UHFFFAOYSA-N	426.498	3.863	5	40	IHBB	
C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCC2)c1=N)c1ccccc1	100882421	BFERYHIXPDTHPM-MRXNPFEDSA-N	427.508	3.735	5	40	IHBB	
O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C(=O)N1c1ccc(F)cc1	102741834	TVNKGLFFGUBVSO-PCCBWWKXSA-N	433.395	3.785	5	40	IHBB	
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl	224940536	APMOPWZQWQLQNF-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2F)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565209	IWPFYMJMYPYIRB-FMNCTDSISA-N	447.466	3.927	5	40	IHBB	
Cc1c(OCC(=O)N2CCN(c3ccccc3)CC2)ccc2c1oc(=O)c1ccccc12	9429739	RCEKPOUNOKPLAZ-UHFFFAOYSA-N	428.488	3.982	5	40	IHBB	
CCOC(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc([N+](=O)[O-])c1	10856530	ZMKNEXUCDNGOFS-UHFFFAOYSA-N	425.393	3.852	5	40	IHBB	
COc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1c(F)cccc1Cl	32689396	TYUISJRCWHEEKE-ALCCZGGFSA-N	447.806	3.934	5	40	IHBB	
O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1	52521501	VZLSWMWLCDQFSY-UHFFFAOYSA-N	441.381	3.732	5	40	IHBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1	409090606	ROHXYKTUNITBHS-XDHOZWIPSA-N	446.419	3.695	5	40	IHBB	
O=c1c2ccccc2sc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc12	8994320	DNGWYYJTKICXEJ-UHFFFAOYSA-N	425.487	3.987	5	40	IHBB	
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	9281977	VMPPFJVZCMFYDD-OAQYLSRUSA-N	435.480	3.978	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCOCC1	9907817	QYJTVLMGSVYDDV-UHFFFAOYSA-N	447.875	3.904	5	40	IHBB	
CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	21976559	LOZAUKQLVQJZFX-UHFFFAOYSA-N	427.365	3.661	5	40	IHBB	
CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCC(C)CC1	26118840	XCSCVQLULQHHBP-UHFFFAOYSA-N	449.554	3.990	5	40	IHBB	
CCSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)n1	40398912	XSBUOHSWXCIWCK-FZKQIMNGSA-N	436.541	3.682	5	40	IHBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	408671701	LBERWJFBLULFBR-UHFFFAOYSA-N	434.832	3.792	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C	409340216	SILDZUCMLBFUHJ-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccc2c(c1)-c1ccccc1C2	9662095	WDZQVOPJXLWFGT-UHFFFAOYSA-N	432.432	3.610	5	40	IHBB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	20154348	UMTTUDIJYKYZLK-GFCCVEGCSA-N	439.299	3.717	5	40	IHBB	
Cc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	22278842	PPMBJUZIVJPGRB-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(I)cc1Cl	32631634	MHRMFJZMXXHVAM-UHFFFAOYSA-N	438.630	3.654	5	40	IHBB	
CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)S(=O)(=O)c1ccc(Br)c(C)c1	72235874	QNNYAGARCIITCU-UHFFFAOYSA-N	441.303	3.825	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1	222367451	SSRLTBHJACZDOO-QGZVFWFLSA-N	433.530	3.635	5	40	IHBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225644836	SUPGPICOCHSPRA-JXFKEZNVSA-N	429.492	3.999	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565371	JZEOZYJXRGHPOL-XRODADMRSA-N	447.466	3.927	5	40	IHBB	
O=C(Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCCC1	9519725	KUPZFPBKFPZPGJ-UHFFFAOYSA-N	441.509	3.536	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O	10324795	WQEZSQUMDKBZIG-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
COC(=O)c1ccccc1C(=O)c1ccc(NC2CCN(C(C)C)CC2)c([N+](=O)[O-])c1	12763432	LJHYBJJRIGHJIH-UHFFFAOYSA-N	425.485	3.897	5	40	IHBB	
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	14371977	OVBIRSBQGFCEOG-UHFFFAOYSA-N	435.465	3.909	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1	15271288	ZUXWGGGBSBIPCI-GASCZTMLSA-N	447.513	3.522	5	40	IHBB	
O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21	20765766	APEIIHPJALHMMH-UHFFFAOYSA-N	437.477	3.989	5	40	IHBB	
COC(=O)[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(C)(C)C	78815362	YQAJZBKCWMQOSZ-INIZCTEOSA-N	445.438	3.534	5	40	IHBB	
Cc1cc(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])nc2ccccc12	89600793	NLUHOQACHHGECS-UHFFFAOYSA-N	445.522	3.624	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222968562	JGMNCGQYZONEFR-HXUWFJFHSA-N	429.542	3.690	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223015931	CWMLJGMZVYNWAD-HXUWFJFHSA-N	429.542	3.690	5	40	IHBB	
CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1	408675030	PFJYFWJDKDPEMU-UHFFFAOYSA-N	431.861	3.967	5	40	IHBB	
O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)Nc1ccccc1	2336391	XCMOHAOTAARUNH-UHFFFAOYSA-N	435.538	3.596	5	40	IHBB	
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCCC(c1ccccc1)c1ccccc1	9669805	JWZKWHZKUTWRJA-UHFFFAOYSA-N	442.475	3.643	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1F	17822869	FIFWEEJBBWAZQK-QHAWAJNXSA-N	433.395	3.785	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1	18069362	AYUSIIUDFYQHOF-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(F)cc12	36548294	VRQIOTWNTSFMEU-LERMDLETSA-N	435.411	3.703	5	40	IHBB	
CN(C)CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C(C)(C)C	89621497	JBMCGSZKIKDKAB-IBGZPJMESA-N	426.583	3.548	5	40	IHBB	
COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1	1359730	IYCRPQGCPRLECH-UHFFFAOYSA-N	444.447	3.683	5	40	IHBB	
Cc1c(NCCCN2CCOCC2)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCc1ccccc1	19638276	FETQKODAQKKSTB-UHFFFAOYSA-N	443.504	3.600	5	40	IHBB	
Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C1	8623933	FAWOHESLJUKIOK-IAGOWNOFSA-N	440.500	3.817	5	40	IHBB	biogenic,in-vitro
Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1	9805325	POZKXWQSJLKTSY-UHFFFAOYSA-N	432.933	3.702	5	40	IHBB	
O=c1c2ccccc2nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1Cc1ccccc1	20239317	VLDLMWJUVDIPNN-UHFFFAOYSA-N	441.491	3.680	5	40	IHBB	
Cc1cc(C)c(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c(Br)c1	73642506	RBTMCYGJEVDPMP-UHFFFAOYSA-N	432.274	3.819	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O	220715727	VASLFULFWPIAQT-INIZCTEOSA-N	425.894	3.740	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	222506670	ATTRLRNQOXYZBX-QGZVFWFLSA-N	443.884	3.879	5	40	IHBB	
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902416	BWKFIWFAEPSVJM-UHFFFAOYSA-N	426.256	3.999	5	40	IHBB	
C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	9166902	FZVWTUMKEIKQEO-LLVKDONJSA-N	426.483	3.880	5	40	IHBB	
Nc1cc(N)nc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1	9646280	WPKJXOZEWSRFMH-INIZCTEOSA-N	430.877	3.675	5	40	IHBB	
CC(C)c1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1	10296604	MQRRYLSNWWNCDS-IBGZPJMESA-N	430.428	3.562	5	40	IHBB	
Cc1ccc(CNc2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2[N+](=O)[O-])cc1	13038959	PCXOZUXJSYKRKI-UHFFFAOYSA-N	448.589	3.912	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCC(C)CC1	14398593	WXJWRGPEZCGFGM-UHFFFAOYSA-N	447.513	3.585	5	40	IHBB	
CN(C)c1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-]	14419500	CIARARIEDGCVPZ-UHFFFAOYSA-N	437.496	3.900	5	40	IHBB	
O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	108054898	VKVVDDBOSOTFNN-SOAHIOFBSA-N	437.334	3.868	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)OCc2nc3ccccc3s2)cc1[N+](=O)[O-]	2658799	ZBTNTUCBASGEFU-UHFFFAOYSA-N	427.467	3.841	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc([N+](=O)[O-])cc1	6878394	LPOWAXLAXCFNKR-UHFFFAOYSA-N	443.485	3.621	5	40	IHBB	
CCOc1ccc(CCNC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC	16695751	ZIQNXEOMODZWDA-QGZVFWFLSA-N	429.517	3.744	5	40	IHBB	
O=C(Cc1csc(N2CCCC2=O)n1)OCc1cc(=O)oc2ccc3ccccc3c12	19476466	LQADCDUWBVLYHN-UHFFFAOYSA-N	434.473	3.815	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1	32631641	PEZKLYSPTDFUDL-UHFFFAOYSA-N	438.630	3.654	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	9097134	CQLWCUKHRZSMSZ-ROUUACIJSA-N	442.432	3.757	5	40	IHBB	
Cc1sc2nc(COC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C	9631644	FSYJTRIETSKHDG-UHFFFAOYSA-N	442.497	3.857	5	40	IHBB	
COc1ccccc1Nc1ncccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	12589409	BLHDATLTBJMWJR-UHFFFAOYSA-N	433.468	3.704	5	40	IHBB	
COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1	19929326	DIZKYYZLFQENBG-UHFFFAOYSA-N	430.442	3.605	5	40	IHBB	
Cc1cc(Cl)ccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222361728	DGQKLCLRKXKUJT-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225659313	SSQQZKUMXNGEBA-INIZCTEOSA-N	431.920	3.980	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	4089156	PBEPGGJPRKJNPP-UHFFFAOYSA-N	431.470	3.687	5	40	IHBB	
COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1	13786646	WJWDXWPFSSJJII-TUACAJSNSA-N	439.512	3.910	5	40	IHBB	
O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12	166470574	HEHFSBDNFVSRTP-BKUYFWCQSA-N	429.457	3.944	5	40	IHBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC	215016740	ZBVBEFHCQHGNKC-LICLKQGHSA-N	430.438	3.857	5	40	IHBB	
CCOc1ccc(NC(=O)COc2ccc3c(C)c(CC)c(=O)oc3c2)c([N+](=O)[O-])c1	8994188	COLDVAKCXDNPAV-UHFFFAOYSA-N	426.425	3.988	5	40	IHBB	
Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccco2)ccc1F	9569360	JGCVGNXQJZWFJJ-HXUWFJFHSA-N	446.456	3.889	5	40	IHBB	
Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-]	12886177	BNELCLISHVYISL-UHFFFAOYSA-N	431.514	3.649	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])n1	25117027	BGTYSEHJSOMXQD-UHFFFAOYSA-N	437.364	3.612	5	40	IHBB	
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409191356	WJINCWYQFRDBEG-CXUHLZMHSA-N	431.832	3.748	5	40	IHBB	
CCOc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)ccc1OC(C)=O	704861	BLMKOYIEZRYBRR-PXNMLYILSA-N	430.800	3.917	5	40	IHBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)c1	102706921	KKWLEQOPCNKWOY-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1	223920536	DEMRCNMELOHVCH-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9128818	VNQYJIGBUCPLLH-UHFFFAOYSA-N	444.875	3.547	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	102727401	GHOVMVSZIPSWNX-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	408583641	VZSOSLUTFWWEIS-UHFFFAOYSA-N	443.485	3.525	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408687569	UQHIYFSOBYEOAN-IRXDYDNUSA-N	441.871	3.981	5	40	IHBB	
O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	1838848	JLAWNAAVHYVIKV-UHFFFAOYSA-N	434.404	3.543	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C	9315597	PTXOEICKBVYVPN-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COC(=O)c1cccc2c1CCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21	12790649	QVHBCDJDZLTEDI-UHFFFAOYSA-N	426.472	3.921	5	40	IHBB	
O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1	15674162	VXHAFCRZEOQJCS-SJORKVTESA-N	434.374	3.972	5	40	IHBB	biogenic,in-vitro
S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCOCC1	104353210	VIQURIYBFGBHJW-UHFFFAOYSA-N	426.505	3.908	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCCCC1	106758614	CLXXPAZYVWROOE-PDGQHHTCSA-N	441.465	3.904	5	40	IHBB	
Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1[N+](=O)[O-]	223581770	CUZFITCSGFBTOC-UHFFFAOYSA-N	430.486	3.729	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	248230558	AGYXVVSRSPFRSQ-NCYKPQTJSA-N	445.475	3.725	5	40	IHBB	
C[C@@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	819469	UUMVABGBGYHZKQ-JLTOFOAXSA-N	439.855	3.711	5	40	IHBB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1	2951606	INRCJYKGMDNYJF-UHFFFAOYSA-N	431.400	3.772	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC[C@@H](c1ccco1)N1CCCCC1	9119613	NSWLXIPAZNVHTI-FQEVSTJZSA-N	448.545	3.611	5	40	IHBB	
Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2n1	13749338	LDOXAYFDWGFPAH-UNOMPAQXSA-N	430.445	3.842	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	18068580	CQLWCUKHRZSMSZ-HDICACEKSA-N	442.432	3.757	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	59132888	QIOVDSPFDIEYLM-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Br)cn1	95470744	OXNIYJFMMKIJJU-UHFFFAOYSA-N	443.169	3.614	5	40	IHBB	
O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	225506507	KREKQUKZPYGRKB-UHFFFAOYSA-N	439.512	3.756	5	40	IHBB	
Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1	409167041	IALVMKXVBZOVHW-UHFFFAOYSA-N	425.466	3.885	5	40	IHBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	409185200	UCYOIXAUGJUVFT-UHFFFAOYSA-N	449.554	3.641	5	40	IHBB	
O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccccc1[N+](=O)[O-]	9569411	FNCDVIKIMSBIJW-UHFFFAOYSA-N	437.477	3.989	5	40	IHBB	
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)CC1=O	10461908	SQGNKWNOMCHVLD-KRWDZBQOSA-N	438.484	3.743	5	40	IHBB	
Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	32796836	JNNQEYTWKXQRNA-UHFFFAOYSA-N	429.480	3.824	5	40	IHBB	
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc([N+](=O)[O-])c1O	37342275	DBKCLJXIGNPYIN-CXUHLZMHSA-N	445.409	3.844	5	40	IHBB	
CN(C)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1	225564012	HLWLPOAPODXPKI-UHFFFAOYSA-N	427.501	3.612	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260507457	LRZSHUIVQRDLGH-UZLBHIALSA-N	433.530	3.634	5	40	IHBB	
COc1ccc([C@H]2[C@H]3CC(C)(C)OCC3=NN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	8926003	UFFFDFKPRJCDEL-UWJYYQICSA-N	439.468	3.980	5	40	IHBB	
CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	16039152	AGYXVVSRSPFRSQ-DOIPELPJSA-N	445.475	3.725	5	40	IHBB	
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	16347700	NHETUDAWJAFCAG-UHFFFAOYSA-N	425.422	3.988	5	40	IHBB	
CN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	58224370	VAIVHDFNOAWKTJ-ZDUSSCGKSA-N	425.894	3.664	5	40	IHBB	
CC[C@](C)(CCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C1OCCO1	72307587	HLVSVBMSEZKELL-HXUWFJFHSA-N	443.566	3.653	5	40	IHBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224633139	SOPZHQNWMHEUSW-QGZVFWFLSA-N	429.542	3.772	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409180228	VATKDNFYDKIVLP-UHFFFAOYSA-N	427.394	3.588	5	40	IHBB	
O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-]	9708330	MDRIVGHCOZASAB-LJQANCHMSA-N	436.493	3.515	5	40	IHBB	
Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1[N+](=O)[O-]	22959770	YYLDSNQYYGFWIJ-UHFFFAOYSA-N	433.877	3.562	5	40	IHBB	
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(OC)c1OC	408570272	KRKOLNURCVESLZ-GOSISDBHSA-N	448.476	3.851	5	40	IHBB	
Cc1c(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	408694068	AMKIETSWYCTDPW-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1	2247961	VCSPOUKVJVKIAU-SFHVURJKSA-N	441.491	3.780	5	40	IHBB	
O=C(CSc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1)NC1CC1	3664919	LMFBGKCCLKVACC-UHFFFAOYSA-N	428.495	3.828	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]	14271020	NMMFAEVGRWVOFS-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(F)cc12	17057154	VRQIOTWNTSFMEU-CGYQNGNCSA-N	435.411	3.703	5	40	IHBB	
C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N+]2(O)C1	103632990	ZSDBUJBJWGVNKA-YVEPUIJXSA-N	446.652	3.790	5	40	IHBB	
CCOc1ccc([C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])N2CCOCC2)cc1OC	12558162	KEMJNUIGMGJSMP-NRFANRHFSA-N	443.500	3.690	5	40	IHBB	
O=[N+]([O-])c1ccccc1N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1	12767657	DLLUYAPUUKIZDU-UHFFFAOYSA-N	433.390	3.986	5	40	IHBB	
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccc(Cl)cc2)CC1	59490036	CJVZYHBJARLJRM-JOCHJYFZSA-N	430.936	3.921	5	40	IHBB	
Cc1ccc(NC(=O)COc2ccc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2)cc1C	409365426	ZMNHGKZNABETDO-UXBLZVDNSA-N	436.424	3.601	5	40	IHBB	
COc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC	3450259	WLBCBXCABUBABP-UHFFFAOYSA-N	429.212	3.714	5	40	IHBB	
C[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)c2C(N)=O)C1	9414902	DXEPUCYNJUVKEH-GFCCVEGCSA-N	428.514	3.733	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCC12CC3CC(CC(C3)C1)C2	12651183	KUXWJBCZBCRTDY-UHFFFAOYSA-N	449.573	3.634	5	40	IHBB	
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1	12856456	CESLEPKUQUSFRL-MRXNPFEDSA-N	438.461	3.816	5	40	IHBB	
Nn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(Cl)c1	3399751	QQNJMLSVKZEWAH-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)C(F)(F)F)cc1	9062458	MEVYPMXVYCVBKA-UHFFFAOYSA-N	437.359	3.866	5	40	IHBB	
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2N)cc1	9612882	PUVALCWXEFVENP-LLVKDONJSA-N	432.893	3.648	5	40	IHBB	
Cc1ccnc([C@H](Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])C2CC2)n1	89701897	BAXWJHJKKPZEDA-VBKZILBWSA-N	445.545	3.677	5	40	IHBB	
CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222809975	JEOSCQQLSNUNRV-NRFANRHFSA-N	441.509	3.609	5	40	IHBB	
Cn1c(=O)n(C)c2cc3c(cc21)nc1c2cccc4c(Br)ccc(c(=O)n31)c42	783630	WYGDIDGRHCYFRP-UHFFFAOYSA-N	433.265	3.545	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1OC	787082	AYEMNPXYQMUAFQ-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	8921183	WEKZFVNJGWCVIS-KQQSKNTNSA-N	428.470	3.941	5	40	IHBB	
COc1cc(CN(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1OC(F)F	9613131	VCFAXZNHHPLSKV-UHFFFAOYSA-N	429.807	3.929	5	40	IHBB	
O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	9698568	KRZQNIBWLUWZPL-UHFFFAOYSA-N	439.493	3.787	5	40	IHBB	
COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)cc1	12548892	YZTNNDRESZZXOB-HSZRJFAPSA-N	438.528	3.771	5	40	IHBB	
CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1	22054134	COCMHKNAGZHBDZ-UHFFFAOYSA-O	431.468	3.699	5	40	IHBB	in-vitro
COc1ccc([C@@H]2CCCCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	24392601	MNZAKZFCSXELQR-NRFANRHFSA-N	425.485	3.867	5	40	IHBB	
Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	222365734	WNSDEWMBVRWDIS-KRWDZBQOSA-N	433.530	3.635	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O	260593153	XHBUANQINCMHSV-YLJYHZDGSA-N	447.557	3.961	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	13677457	CWLIQBSMBNHKTI-UHFFFAOYSA-N	433.467	3.718	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1	15271452	LHYDSBAPGPCKIS-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	35317519	RRVBGSTVJDYDFG-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(=O)OC)cc2)cc1	408574509	UZWPWGMWJRWSIU-IBGZPJMESA-N	442.497	3.871	5	40	IHBB	
Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1Br	408642294	NWTVXZFBHPTTGP-CYBMUJFWSA-N	432.274	3.966	5	40	IHBB	
O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	727071	STCDBMAPUZBROM-HXUWFJFHSA-N	433.395	3.580	5	40	IHBB	
C[C@H](C(=O)OCc1cc(=O)oc2ccc3ccccc3c12)N1C(=O)c2ccccc2C1=O	3479580	DPPOWRPLVZZMMI-CQSZACIVSA-N	427.412	3.674	5	40	IHBB	
O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	10333854	XTGCGCDRHUFLAY-JOCHJYFZSA-N	432.480	3.640	5	40	IHBB	
C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	31535830	JMPZNXVMOPKLQX-CQSZACIVSA-N	441.875	3.817	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCCC1	9356544	QMJOQUZWQJYZHU-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1C	11565644	GIJCCMFGGKRLNJ-UHFFFAOYSA-N	437.412	3.874	5	40	IHBB	
Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2n1	13229180	SWWIFZYXIHTFIJ-JTQLQIEISA-N	426.433	3.753	5	40	IHBB	
C[C@H](C(=O)N[C@H](c1ccccc1)c1cccs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	26940006	NBIYWIALKXRTFU-BFUOFWGJSA-N	435.461	3.547	5	40	IHBB	
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	33788337	DFYNMHSQWJPPEV-UHFFFAOYSA-N	438.528	3.621	5	40	IHBB	
Cc1onc(-c2ccc(O)cc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	95079928	FNZOHHJCUYQDHV-UHFFFAOYSA-N	442.859	3.880	5	40	IHBB	
CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223677677	LFXXTONYQYXODQ-FQEVSTJZSA-N	425.529	3.902	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	409180639	XNNVTNAPMYXWIM-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
Cc1c(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cccc1[N+](=O)[O-]	9404479	MZZKTDLIPUMFOA-UHFFFAOYSA-N	425.426	3.996	5	40	IHBB	
CCOC(=O)c1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1	12140461	KGSUTLJALVSQIS-UHFFFAOYSA-N	438.465	3.959	5	40	IHBB	
CCN(CC)[C@@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])c1ccccc1	13031527	UJJXYHMZZYKSHF-NRFANRHFSA-N	434.562	3.777	5	40	IHBB	
O=C(Nc1ccc(Br)cc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	15882818	MVQWZKOLMGCBMX-UHFFFAOYSA-N	428.242	3.820	5	40	IHBB	
COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)nn2)cc1	23142717	WRQKRBLVGAAJNI-QGZVFWFLSA-N	433.468	3.916	5	40	IHBB	
O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1	56945462	MAMHPDUEKLLMDC-OAQYLSRUSA-N	438.459	3.620	5	40	IHBB	
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OC	408625059	WRAFQGPOBHTINH-UHFFFAOYSA-N	442.209	3.777	5	40	IHBB	
Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17099246	MUCNHHDQUIRMAA-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
O=[N+]([O-])c1cc(Br)cnc1N1CCc2c(ncn2CCc2ccccc2)C1	95467522	IVLWGPZRDOHAGY-UHFFFAOYSA-N	428.290	3.754	5	40	IHBB	
Cc1c(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220197619	AAMGLTAJRUCGKD-LBPRGKRZSA-N	445.419	3.715	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1	223984221	KSAZOENXWZKAGG-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(OC)c1OC	408564961	ATSDHTJQDCBQGJ-GOSISDBHSA-N	430.486	3.712	5	40	IHBB	
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1	2375284	DOKBTGJRGWJJCQ-UHFFFAOYSA-N	435.871	3.592	5	40	IHBB	
CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC	3441672	MOPIAVVHEVKTQN-ZDUSSCGKSA-N	432.429	3.585	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(C)C)c(OC)c1	9124981	WVFDKLXXYXEVLY-CQSZACIVSA-N	446.456	3.831	5	40	IHBB	
Cc1nc2sc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)nnc3c2c(C)c1Br	12444820	UMVAOQKWECRLSY-UHFFFAOYSA-N	432.259	3.678	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	20460170	HCLVEFHETFTKMX-UHFFFAOYSA-N	437.905	3.816	5	40	IHBB	
CCc1ccc([C@@H](C)NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	260740941	BBKWIBIAVFVGFZ-UZLBHIALSA-N	447.557	3.888	5	40	IHBB	
O=C(O)CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O	409135203	VQCCVHWAMSMWKK-GIJQJNRQSA-N	437.433	3.719	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3	8641677	KNKZXDBBWTUJIM-UHFFFAOYSA-N	444.538	3.821	5	40	IHBB	
CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	9316197	KZDSUKOVRZGNCX-UHFFFAOYSA-N	437.246	3.976	5	40	IHBB	
CCc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	16161977	KWPAQQSHQHHCHE-UHFFFAOYSA-N	437.418	3.904	5	40	IHBB	
CCSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1	40398911	XSBUOHSWXCIWCK-UGSOOPFHSA-N	436.541	3.682	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1C	408928991	NRDQNIWZSOPSNW-RQZCQDPDSA-N	427.438	3.592	5	40	IHBB	
COc1ccc(-c2noc(CN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)C(C)C)n2)cc1	9095273	FEZGKRSBBYRZEZ-UHFFFAOYSA-N	426.429	3.713	5	40	IHBB	
O=C(Nc1cccnc1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	9096976	VPFCDUVXTZBVDX-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c(Br)c1	13009440	MCZHHMDNAAEGRB-UHFFFAOYSA-N	444.259	3.610	5	40	IHBB	
COc1cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1OC[C@H]1CCCO1	40153081	MSHIFLCYLDCAON-MRXNPFEDSA-N	425.441	3.573	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	222625506	CMIKDQIZYCEDSW-UHFFFAOYSA-N	445.419	3.799	5	40	IHBB	
CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260504018	BOMNQVPWNSRZCS-VQTJNVASSA-N	445.541	3.642	5	40	IHBB	
O=C(O)/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nc2ccccc2[nH]1	408632662	GOTZISPSHCJETG-PDGQHHTCSA-N	426.454	3.526	5	40	IHBB	
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1=O	9512371	GXJYUKQFVSHMPE-JOCHJYFZSA-N	427.432	3.863	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1	9714640	GBDYHUYEHJPRCB-UHFFFAOYSA-N	439.497	3.761	5	40	IHBB	
COc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc([N+](=O)[O-])c1O	16386254	OGAILCKEADTKPP-IZZDOVSWSA-N	433.342	3.982	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17099242	GTRJLRPZZDCJJM-UHFFFAOYSA-N	434.905	3.520	5	40	IHBB	
C[C@@H](Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	408595824	UZYQOVHVTAPWFH-OAHLLOKOSA-N	447.513	3.612	5	40	IHBB	
CCCCCN(C(=O)NC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	9354648	VTNXRSHTSHNSCX-UHFFFAOYSA-N	434.474	3.717	5	40	IHBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1nc(NCCc2ccccc2)ncc1Cl	48303430	ZIRNOASMVRKOJN-UHFFFAOYSA-N	440.891	3.535	5	40	IHBB	
CCCc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	57727686	DYHKYFRHVCNQJF-UHFFFAOYSA-N	433.512	3.856	5	40	IHBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1	102724268	SCCPQDAGFFQDBE-BHIFYINESA-N	445.431	3.655	5	40	IHBB	
COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	224527613	FHYYQLLIUATKQA-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1C	604483848	RETVGUAEVRDQQT-QGZVFWFLSA-N	429.542	3.816	5	40	IHBB	
O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	9582852	QJFVZPHXAUPTSV-QHHAFSJGSA-N	438.314	3.537	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)cc2)cc1	32640691	OPAHJUDCDSPLFT-IAGOWNOFSA-N	437.930	3.523	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2C)n1C	35105190	YCBAIEVILREHHY-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57611554	LSYKSQLCFSYSCD-CQSZACIVSA-N	441.438	3.570	5	40	IHBB	
CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(Oc2ccccc2)cc1	853046	TTZFTPQHCSWXEZ-UHFFFAOYSA-N	431.404	3.994	5	40	IHBB	
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Br)cn1	3075090	RDVGTOSJRANPSD-UHFFFAOYSA-N	443.169	3.614	5	40	IHBB	
Cc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3Cl)no2)ccc1[N+](=O)[O-]	22257588	XUEUAISHCKYIFC-UHFFFAOYSA-N	437.239	3.955	5	40	IHBB	
COc1ccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c(OC)c1	408668963	GMWFQKOUMXTKPW-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1	2252245	UHKPPEVEOIISIZ-UHFFFAOYSA-N	433.899	3.951	5	40	IHBB	
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc(Cc2ccc3c(c2)OCO3)c1C	9390666	KTTLVYKZCSQJNZ-UHFFFAOYSA-N	444.421	3.916	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	13112972	QLYOWCNYIFPFJE-GASCZTMLSA-N	447.513	3.522	5	40	IHBB	
CC(C)(C)OC(=O)N(CCCNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1cccnc1	40151584	CPCPMZFPGFXLNQ-UHFFFAOYSA-N	429.477	3.939	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@@H]1CCCC[C@@H]1n1cccn1	72307302	OXIXZURESXHDCJ-QUCCMNQESA-N	447.561	3.952	5	40	IHBB	
O=C1[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	102641256	PPRKBCRKRWLLLW-YTFOQLDISA-N	430.420	3.847	5	40	IHBB	
CCOc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC	107616369	ZNPJAMAJSSADSA-UHFFFAOYSA-N	442.209	3.859	5	40	IHBB	
O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9190304	ORHCABDLSLTNNE-UHFFFAOYSA-N	436.424	3.529	5	40	IHBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1	9234981	CCTIYJANASKVHL-WEVVVXLNSA-N	429.816	3.795	5	40	IHBB	
CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1	9349059	GICDLUUOIUNHSU-IBGZPJMESA-N	444.513	3.690	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c2)CC1	13040488	KVDRSRYSAVSCQY-UHFFFAOYSA-N	426.583	3.546	5	40	IHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14269937	JNPIUOVZHVHADH-UHFFFAOYSA-N	449.876	3.883	5	40	IHBB	
Cc1ccc(C)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	222377161	QQTJGPNDGCBFSM-SFHVURJKSA-N	447.557	3.944	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1	408665674	VNXOOGAFIZPQKC-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	409208353	AVWHBGMUDOQRIJ-MFOYZWKCSA-N	429.454	3.663	5	40	IHBB	
CC(C)OC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	976264	UCVDYFIKHICUNI-UHFFFAOYSA-N	428.470	3.798	5	40	IHBB	
Cc1ccc(NC2=Nc3nc(C)cc(=O)n3[C@H](c3cc([N+](=O)[O-])ccc3Cl)N2)c(C)c1	2438999	UZDONODWKCECSF-LJQANCHMSA-N	438.875	3.980	5	40	IHBB	
COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1	3332996	GBBCXYVWMWSBDK-UHFFFAOYSA-N	427.438	3.831	5	40	IHBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CCCCCC1	9891933	KGBKFYDAYLEHSJ-UHFFFAOYSA-N	431.514	3.629	5	40	IHBB	
CC[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c(C)s1)NC(=O)c1cc([N+](=O)[O-])c(C)s1	79056168	ZGGZWJWVSVQICI-KRWDZBQOSA-N	440.503	3.571	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2	3278987	OYZPZPORSWOYJR-UHFFFAOYSA-N	444.443	3.712	5	40	IHBB	
COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	10795879	FIYUHHMCMLWPHL-LHXVZLOVSA-N	434.832	3.849	5	40	IHBB	
CC(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	17095905	VSQIALVKXBOCLL-UHFFFAOYSA-N	428.514	3.682	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1	102760351	QYGAIPNYDYKXHJ-FDFHNCONSA-N	429.432	3.954	5	40	IHBB	
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O	218474195	VHINUPPNRQFPDL-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F	409255450	KPRPNRHKZHPXRO-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
CCn1c(CCNC(=O)c2ccccc2F)nnc1SCc1ccccc1[N+](=O)[O-]	9328767	VXRJWJQNCOKWOA-UHFFFAOYSA-N	429.477	3.610	5	40	IHBB	
Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-]	12561179	WBZWNIJTKIDNNL-UHFFFAOYSA-N	426.376	3.909	5	40	IHBB	
CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2	12982892	GINGSKKLOXWCOS-UHFFFAOYSA-N	425.363	3.551	5	40	IHBB	
COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1	12996304	QTEXNRWAOQZULX-GOSISDBHSA-N	426.425	3.520	5	40	IHBB	
NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	25003803	JBYOJNOAPFDYAK-UHFFFAOYSA-N	445.884	3.743	5	40	IHBB	
CN(c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1	78968170	LJWLOZTWGBJWLR-HXUWFJFHSA-N	447.557	3.719	5	40	IHBB	
CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225088283	NJPLXMSLRDTMIM-UHFFFAOYSA-N	446.403	3.680	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408570121	ZLLOQTNSQCHJIC-NIDLKEISSA-N	447.466	3.927	5	40	IHBB	
CN(c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1F	13016207	ZEXGDIGEZOHIKG-UHFFFAOYSA-N	430.413	3.778	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2c(C)nn(CC(C)C)c2s1	32945403	HQCASFXTKNOPQS-UHFFFAOYSA-N	446.485	3.775	5	40	IHBB	
CCCCCn1c(=N)c(C(=O)Nc2cccc(OC)c2)cc2c(=O)n3ccccc3nc21	101346974	DHIYWBHHNIXTDQ-UHFFFAOYSA-N	431.496	3.580	5	40	IHBB	
CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	409202727	RQFMJWZHMADUCK-BOPFTXTBSA-N	429.454	3.807	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1	15271393	SVACBUKTTAYKBT-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(C)Cc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)C1	25581128	KORJWALPZLQGOG-OAHLLOKOSA-N	448.501	3.560	5	40	IHBB	
Cc1cc(S(=O)(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1F	95443897	JIVNUFLIZLEZKK-SNVBAGLBSA-N	440.840	3.785	5	40	IHBB	
CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O	409249560	UTDWZIFDTRNURS-LDADJPATSA-N	425.441	3.875	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1[N+](=O)[O-]	409350529	UBUXPJWKTBYFLH-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1	2231231	BHXCJSPRGZYMIS-UHFFFAOYSA-N	449.898	3.900	5	40	IHBB	
CCCCc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	19636449	ICBDEAYCXQFGSH-UHFFFAOYSA-N	442.541	3.901	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccccc1-c1ccccc1	225090172	HLXXTSBQYDPVTN-UHFFFAOYSA-N	426.450	3.850	5	40	IHBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc21	408526296	ARZBJGHJIYMNMI-UHFFFAOYSA-N	433.808	3.565	5	40	IHBB	
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	4125338	SSNGGKYMDJKECW-UHFFFAOYSA-N	446.891	3.568	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-]	9426450	UGJWVWSMOXMIKM-UHFFFAOYSA-N	437.477	3.989	5	40	IHBB	
CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-]	10154520	RHZIYELDPKOJTD-AWEZNQCLSA-N	444.509	3.865	5	40	IHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(Br)c2)NC(=O)N1	12652299	REFIGVFTGQIVKZ-INIZCTEOSA-N	431.246	3.624	5	40	IHBB	
Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	15398221	XBCBJKJUBUFWOA-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	16293500	STPZMUDVSLCSKN-UHFFFAOYSA-N	441.465	3.722	5	40	IHBB	
COc1cc(OCC(=O)NCCSCc2c(F)cccc2Cl)ccc1[N+](=O)[O-]	219822104	DMFJFQCVFHWLCF-UHFFFAOYSA-N	428.869	3.824	5	40	IHBB	
CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	22375300	UYJAKYGFAOOUFW-LJQANCHMSA-N	433.530	3.554	5	40	IHBB	
Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1[N+](=O)[O-]	95929321	CLTDTXRBLIVUSZ-JOCHJYFZSA-N	443.463	3.865	5	40	IHBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	224822936	HAWKFCNPSXCCQG-UHFFFAOYSA-N	445.541	3.871	5	40	IHBB	
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3cccc([N+](=O)[O-])c3)c2c1	8992335	DQHFBBLIUXULGB-JOCHJYFZSA-N	431.452	3.904	5	40	IHBB	
CCOc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-]	9680388	FRXCINNZZQEFGW-UHFFFAOYSA-N	434.836	3.518	5	40	IHBB	
CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	24605336	DCFASBOOYKBMCT-WQRHYEAKSA-N	442.449	3.773	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1C	57466728	ORVJJBYXOBWRIG-LJQANCHMSA-N	447.539	3.759	5	40	IHBB	
COc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)cc1	102709327	SJZVHCSHLUOAHU-BHDDXSALSA-N	445.431	3.655	5	40	IHBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224095214	SWIOHMRDGKMWLA-HXUWFJFHSA-N	429.542	3.772	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	409177668	BVXLWVATMUZEOZ-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	12555535	XPXPJRPAKZODKH-UHFFFAOYSA-N	444.440	3.537	5	40	IHBB	
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	11614688	CZOIWNFHIFITGG-LJQANCHMSA-N	441.871	3.852	5	40	IHBB	
O=C1[C@H](Oc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2Br)N1C[C@@H]1CCCO1	48251034	VYQQJIMWPYKOMF-ZYSHUDEJSA-N	447.285	3.867	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1	205709205	XWJIJDLXZNGLNU-RQZCQDPDSA-N	446.437	3.851	5	40	IHBB	
CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	408639471	XMGVBKHJTVRHKJ-UHFFFAOYSA-N	442.497	3.789	5	40	IHBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O	409351937	XRVFFLIWFRXZIW-VCHYOVAHSA-N	428.422	3.618	5	40	IHBB	
O=c1cc(-c2cccc([N+](=O)[O-])c2O)nc(-c2cccc(I)c2)o1	13801821	MJJBTXSSDILLAS-UHFFFAOYSA-N	436.161	3.587	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	19160984	NCCVCKGIWYOYGO-UHFFFAOYSA-N	437.905	3.596	5	40	IHBB	
O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCCN(Cc2ccc(Cl)cc2)CC1	78903676	DFEIHXZWOCPLQA-UHFFFAOYSA-N	430.892	3.917	5	40	IHBB	
O=C(O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225030985	XITVJCCMENBQOI-UHFFFAOYSA-N	438.767	3.547	5	40	IHBB	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]	9634580	OTBMENMGLORXIK-UHFFFAOYSA-N	432.326	3.795	5	40	IHBB	
Cc1ccccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	9698944	ILGHOVYPEOZRMG-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21	24992497	MJBGCDIDMRWQFC-HSZRJFAPSA-N	425.488	3.784	5	40	IHBB	
CSc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	57617320	ZHXLQQILYMFAFJ-UHFFFAOYSA-N	437.525	3.626	5	40	IHBB	
COC(=O)C(=Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC	409086465	VRTFXSMDKLCCMG-UHFFFAOYSA-N	436.760	3.678	5	40	IHBB	
O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1	9413743	XKPVCWHQQRSDDI-GDLZYMKVSA-N	434.836	3.588	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)o1	205862800	SBKVPMVBHRXSCL-WOJGMQOQSA-N	441.465	3.822	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222968507	JGMNCGQYZONEFR-FQEVSTJZSA-N	429.542	3.690	5	40	IHBB	
CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	2091605	LAUHQKWVWDBCBB-MHALITNNSA-N	432.480	3.560	5	40	IHBB	biogenic
Cc1cccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	9088363	KGMHLFLLENIKFP-UHFFFAOYSA-N	438.362	3.793	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc(Br)cc3s2)CC1	10166303	GKUSHFQGTDAIRB-UHFFFAOYSA-N	447.314	3.929	5	40	IHBB	
Cn1cnnc1S[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	13129617	WTHIAXWXMQCBIW-OAHLLOKOSA-N	448.302	3.958	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1	16096051	OBYOFGGAAXAVLU-UHFFFAOYSA-N	425.466	3.634	5	40	IHBB	
O=[N+]([O-])c1cc2c(c(CSc3nnc([C@H]4COc5ccccc5O4)o3)c1)OCOC2	19297018	SGJUZXMFJIRATG-MRXNPFEDSA-N	429.410	3.649	5	40	IHBB	
O=C1C[C@@H](C(F)(F)F)N(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2N1	21315255	QJSAIZGQPYCULI-HNNXBMFYSA-N	443.765	3.933	5	40	IHBB	
NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1	44088035	JKMJPRCHHVQZIL-UHFFFAOYSA-N	438.387	3.924	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O	222372486	IGOPYBYYLMIVJX-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
O=C(Cc1ccccc1)Nn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	2971517	DBQGIPAUELHTSJ-UHFFFAOYSA-N	446.488	3.910	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1	9714603	VVALMMYYNDWXDM-UHFFFAOYSA-N	439.497	3.843	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c(C)c1	13879476	VREZTHSJYIKDCZ-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20110967	HDPCBMANTUQHIK-UHFFFAOYSA-N	439.493	3.509	5	40	IHBB	
O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1	102758312	UGOQNYOQKXHMQB-YPAWHYETSA-N	429.432	3.642	5	40	IHBB	
COc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC	408713912	COHUGYFZFAGQBI-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1	409340191	RYHFKSQCBPXQMB-UHFFFAOYSA-N	441.513	3.904	5	40	IHBB	
COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	3406627	HHNQDLBTFASHJU-UHFFFAOYSA-N	443.637	3.815	5	40	IHBB	
COc1cccc2cc(/C=C/C(=O)OCC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)oc12	11581195	XXUZSRPURRJUMI-CSKARUKUSA-N	436.420	3.885	5	40	IHBB	
Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-]	16250198	IMDMIRJQENLNSG-UHFFFAOYSA-N	441.465	3.722	5	40	IHBB	
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	20153204	BTTBPYFMTPLLLN-UHFFFAOYSA-N	442.497	3.719	5	40	IHBB	
O=C(NCCC1=CCCCC1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	678498	DGCARAWFRHBMSY-JOCHJYFZSA-N	447.491	3.809	5	40	IHBB	
COc1ccc(-c2cc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)n[nH]2)cc1	8855413	YBDMANJDTMWORF-UHFFFAOYSA-N	442.497	3.562	5	40	IHBB	
O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1OCc1cn2ccccc2n1	32820646	AYQJQXNGALCYRK-UHFFFAOYSA-N	431.452	3.663	5	40	IHBB	
Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1C	408637806	AFEWXGNOFLVJQP-ZDUSSCGKSA-N	432.274	3.966	5	40	IHBB	
Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	409250923	NLRISIMPDXACPE-UHFFFAOYSA-N	443.456	3.876	5	40	IHBB	
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	6474728	XCYMEFDOVKWQKX-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1[N+](=O)[O-]	12690927	YKHHWPZZZLGYKC-UHFFFAOYSA-N	434.861	3.764	5	40	IHBB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1	19929261	ANNPNHXXRYGQSS-UHFFFAOYSA-N	427.442	3.642	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)o1	409045714	HFZYPGAAYNKEIN-UHFFFAOYSA-N	425.401	3.518	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C	62581050	PQHJAVKXWYGGGA-OAQYLSRUSA-N	436.493	3.858	5	40	IHBB	
Cc1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	9662690	CSJPOYLFOQOQMN-UHFFFAOYSA-N	449.511	3.881	5	40	IHBB	
CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(NC(C)=O)cc1	13880089	BFVJUSHGJCRNKQ-UHFFFAOYSA-N	425.470	3.807	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222524737	PKRWIKQODOBOTO-IBGZPJMESA-N	435.502	3.565	5	40	IHBB	
COc1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)c2ccccc2)cc1	1514646	OSQMGAIJLWTETA-UHFFFAOYSA-N	431.404	3.504	5	40	IHBB	
COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21	2225909	JQPWBCMYZUIAKO-QGZVFWFLSA-N	441.491	3.530	5	40	IHBB	
CC(C)(C)NS(=O)(=O)c1ccc(NCCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1	9118046	WXLXYSWKFHSRQF-UHFFFAOYSA-N	443.529	3.512	5	40	IHBB	
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1	9883500	PRTOQTVWIGDLRL-UHFFFAOYSA-N	437.905	3.596	5	40	IHBB	
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(CN1CCOCC1)C2=O	19596871	UWTCWMJVGJKMLS-QFIPXVFZSA-N	430.888	3.693	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1	22907967	JSSWGQFLZZGXOM-HXUWFJFHSA-N	443.550	3.734	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	15303430	ANRQOYQGXDAGBG-UHFFFAOYSA-N	425.363	3.711	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)cc2)cc1	32640692	OPAHJUDCDSPLFT-SJORKVTESA-N	437.930	3.523	5	40	IHBB	
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCOCC2)cc1	33743326	XKUGSSWTTDTWIK-UHFFFAOYSA-N	437.315	3.944	5	40	IHBB	
C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	408661551	XIIAVJZVTFQTOT-HNNXBMFYSA-N	443.415	3.520	5	40	IHBB	
COc1cc2c(cc1NC(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)oc1ccccc12	3493658	RGQAHNKVBUFRIN-UHFFFAOYSA-N	445.387	3.738	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCc1ccccc1N1CCCC1	40158213	QNBJECPGQNLMPV-UHFFFAOYSA-N	430.530	3.592	5	40	IHBB	
C[C@@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	103491603	VOHZCDYWDYHEFK-PWAOUJBFSA-N	444.509	3.917	5	40	IHBB	
CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl	224789974	DGFIMIJOBGYGPX-UHFFFAOYSA-N	426.878	3.949	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl	409172978	GYLRHBIRIMVXOV-UHFFFAOYSA-N	433.877	3.963	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(F)cc12	43732383	VRQIOTWNTSFMEU-LQNXUBFPSA-N	435.411	3.703	5	40	IHBB	
CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	9426757	LQFYSECUHSDTQS-UHFFFAOYSA-N	439.497	3.671	5	40	IHBB	
COc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	10911838	LLJSHFMNFMPMLV-NSHDSACASA-N	434.832	3.873	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222526537	ZHGMIJINILINQG-JXFKEZNVSA-N	433.530	3.634	5	40	IHBB	
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2	2428461	DDUOSEOSPVXIST-UHFFFAOYSA-N	427.464	3.790	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1	9520124	SBOMHYMKVJJLDL-INIZCTEOSA-N	443.529	3.984	5	40	IHBB	
O=C(CSc1ccc(F)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	10166311	YLQQHNNGNGRFOR-UHFFFAOYSA-N	432.502	3.785	5	40	IHBB	
Cc1ccc(CNC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	10723364	GECAXLUVOOJLOU-SFHVURJKSA-N	428.488	3.711	5	40	IHBB	
COCCN(C(=O)[C@@H]1COc2ccccc2C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	16962007	UJQNOELWYDVDAA-KRWDZBQOSA-N	439.493	3.949	5	40	IHBB	
Cc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-]	17103030	PKRCAFVHATYMIS-UHFFFAOYSA-N	439.247	3.701	5	40	IHBB	
CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1	20412544	ZUUZXFCCILVVNM-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1	106702736	HTTKKPWVKSOTMB-MOSHPQCFSA-N	439.493	3.976	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222526599	ZHGMIJINILINQG-OXJNMPFZSA-N	433.530	3.634	5	40	IHBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223632964	PNLLPINRJQUNCG-FQEVSTJZSA-N	441.528	3.868	5	40	IHBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225454523	NUUHBDXVNHPERR-KRWDZBQOSA-N	429.542	3.770	5	40	IHBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408687647	URWLJMYFNBTUIU-CCKFTAQKSA-N	439.443	3.713	5	40	IHBB	
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C	787065	YSSVEQKWJJZZPY-ZDUSSCGKSA-N	427.486	3.827	5	40	IHBB	
COCCn1c(-c2cccc(Br)c2)nc2oc3ccccc3c(=O)c2c1=O	2206843	IEAFRLLSVQOSFE-UHFFFAOYSA-N	427.254	3.579	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c([N+](=O)[O-])c1	12491088	KSQJHKYNKQBZOR-UHFFFAOYSA-N	444.498	3.603	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nnc(-c2ccco2)o1	13135120	SSDPATHEQXEKBK-UHFFFAOYSA-N	436.471	3.564	5	40	IHBB	
CCCCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21	17083391	ZSQUEJRZYQORSN-FQEVSTJZSA-N	447.285	3.965	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2ccccc2s1	22997235	BMFSBLGHSIVALG-UHFFFAOYSA-N	426.498	3.574	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccccc1SC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222538640	NQQYCAJIUFLZKU-INIZCTEOSA-N	437.543	3.808	5	40	IHBB	
Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	223480514	BYDKTCAVKHAQQK-QZTJIDSGSA-N	447.557	3.860	5	40	IHBB	
COC(=O)C(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC	409080468	DMVUUQXZZKOYHE-UHFFFAOYSA-N	436.760	3.678	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409179606	SVMSQBLBRUJNKQ-UHFFFAOYSA-N	442.405	3.693	5	40	IHBB	
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1	10166313	NHRXLINWQAYTAW-UHFFFAOYSA-N	428.539	3.954	5	40	IHBB	
Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccccc1	12580119	LNLOXMZYVSAXSF-IBGZPJMESA-N	443.529	3.607	5	40	IHBB	
C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1c[nH]c2ccccc12	19431416	ZRXFMSJLDOEBAC-CYBMUJFWSA-N	437.408	3.579	5	40	IHBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225549445	LJKTYAIXDRQHCX-XMMPIXPASA-N	445.519	3.832	5	40	IHBB	
CCc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)nc12	22997364	AJWHBNZRJCEAMG-UHFFFAOYSA-N	444.513	3.729	5	40	IHBB	
CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CC[C@@H](C(C)(C)C)C2	12285173	NMHWVCOXDIELRE-GFCCVEGCSA-N	434.518	3.819	5	40	IHBB	
CN1C(=O)[C@@H](NC(=O)Nc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21	13732846	OMMUFFDOCUDYMZ-OAQYLSRUSA-N	429.436	3.556	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(N(C)Cc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)C1	25581134	KORJWALPZLQGOG-HNNXBMFYSA-N	448.501	3.560	5	40	IHBB	
CC(C)OC(=O)c1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)cc1	36618970	UNVAPHIJEZJYCM-UHFFFAOYSA-N	446.423	3.517	5	40	IHBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc([N+](=O)[O-])cc1	408658717	VFFSFFAFPYYFCF-LBPRGKRZSA-N	437.235	3.681	5	40	IHBB	
CCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O	2149891	LMWZHLNXKSVROZ-URXFXBBRSA-N	446.507	3.951	5	40	IHBB	biogenic
Cc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)cc1	2390504	JKHZFPLBXNPHOW-UHFFFAOYSA-N	449.565	3.905	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1	12565097	YJEFGZRXCRBPAZ-UHFFFAOYSA-N	433.411	3.905	5	40	IHBB	
O=C(Nc1cccc(COCc2ccco2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	58081509	OTJJUACIRDEKBQ-UHFFFAOYSA-N	437.456	3.654	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	220197247	HHHQRJDGKCOSOU-GFCCVEGCSA-N	445.419	3.715	5	40	IHBB	
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1	225061687	OSJFXGSRZSGFDB-UHFFFAOYSA-N	428.466	3.815	5	40	IHBB	
O=C(Nc1ccc(I)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl	12428557	CQTDIYGGEYYEDL-UHFFFAOYSA-N	446.584	3.803	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C1=O	13776282	LYHURZVPPLFWJW-FDFHNCONSA-N	429.432	3.954	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1	16046424	VNANLADZMZMIEF-UHFFFAOYSA-N	431.499	3.798	5	40	IHBB	
O=C(NCc1cccnc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	48230845	MVYOMCUQGKFMGR-UHFFFAOYSA-N	434.452	3.549	5	40	IHBB	
C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2	223240154	YLBLRZMYZHVMHT-MRXNPFEDSA-N	445.541	3.507	5	40	IHBB	
CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O	409228761	DRIDWVLMFAIILB-LDADJPATSA-N	425.441	3.875	5	40	IHBB	
COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)cc1	12548893	YZTNNDRESZZXOB-QHCPKHFHSA-N	438.528	3.771	5	40	IHBB	
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	12819606	SZRQFRPHBUCAKA-UHFFFAOYSA-N	446.866	3.766	5	40	IHBB	
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1	18046867	GWESTQZINKTOOS-SFHVURJKSA-N	429.473	3.752	5	40	IHBB	
CC[C@@H](C)n1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21	103181337	HFRHKGXCTWYQSZ-IAGOWNOFSA-N	429.524	3.899	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O	138778664	LTKWRWPYKKKUJT-ROUUACIJSA-N	441.871	3.981	5	40	IHBB	
CCn1c(Cc2ccc(OC)c(OC)c2)nnc1Sc1ccc([N+](=O)[O-])cc1C=O	408638595	SLSCKZSQBORGJL-UHFFFAOYSA-N	428.470	3.778	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O	10188123	UTLATHICBVUTHN-UHFFFAOYSA-N	448.410	3.753	5	40	IHBB	
O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17097228	YITZNDZXQZYCSF-UHFFFAOYSA-N	430.892	3.937	5	40	IHBB	
CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12	20638313	IPHGOTITXFZFKG-WOJBJXKFSA-N	436.468	3.860	5	40	IHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1OC	28803596	IDXUORYVLCGWJL-UHFFFAOYSA-N	441.362	3.547	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl	89773077	SOISUSHPNYWVIV-UHFFFAOYSA-N	447.296	3.502	5	40	IHBB	
O=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCCCCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	95682000	IQIPEYIJNBPINW-UHFFFAOYSA-N	440.368	3.639	5	40	IHBB	
CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C	220423975	RJTPYAWCGQUDKC-UZLBHIALSA-N	433.530	3.634	5	40	IHBB	
O=C(O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224752778	MMXVOROMSOOCJV-UHFFFAOYSA-N	438.767	3.547	5	40	IHBB	
COc1cccc([C@@H](CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c2c[nH]c3ccccc23)c1OC	604510557	PGFAZECHLCOYJK-QGZVFWFLSA-N	449.467	3.687	5	40	IHBB	
CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	8739773	LAUHQKWVWDBCBB-IUZBSBKLSA-N	432.480	3.560	5	40	IHBB	biogenic
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	139152309	ULQWDEVSJCJVLY-KDURUIRLSA-N	439.855	3.757	5	40	IHBB	
COc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)c([N+](=O)[O-])c1	409154095	NTGXLISNEHKFKX-UHFFFAOYSA-N	430.442	3.649	5	40	IHBB	
Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	6443442	JLWYRKJKLLADBH-UHFFFAOYSA-N	426.502	3.683	5	40	IHBB	
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)n1	8690594	KIZKREIEKANPEF-UHFFFAOYSA-N	428.832	3.846	5	40	IHBB	
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1	9425390	AJZPRQVGXIECEP-MRXNPFEDSA-N	431.246	3.624	5	40	IHBB	
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1	12747549	JNPHKBBCNAVWCN-UHFFFAOYSA-N	449.504	3.870	5	40	IHBB	
Cc1nn(Cc2ccc(C(=O)Nc3ccc4oc(C(N)=O)cc4c3)cc2)c(C)c1[N+](=O)[O-]	32935162	DMHZIGAIWCRCDK-UHFFFAOYSA-N	433.424	3.554	5	40	IHBB	
O=c1/c(=C/c2cccc(OCc3ccccc3)c2)sc2nc3ccc([N+](=O)[O-])cc3n12	206310522	BRTBMZHXMQMFRP-MTJSOVHGSA-N	429.457	3.944	5	40	IHBB	
O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1	15443086	PRYYBKTUYNMLDU-UHFFFAOYSA-N	444.289	3.730	5	40	IHBB	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COc1ccccc1[N+](=O)[O-]	15474198	CUDRWUNXMPWNEG-UHFFFAOYSA-N	445.781	3.743	5	40	IHBB	
CC(C)CN(C[C@H](O)c1ccc(F)cc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	84544212	WRWNRIYHRSSFNE-SFHVURJKSA-N	446.447	3.926	5	40	IHBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)c1	100937081	KKWLEQOPCNKWOY-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(OC)c1OC	408564962	ATSDHTJQDCBQGJ-SFHVURJKSA-N	430.486	3.712	5	40	IHBB	
O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3cccc(Cl)c3F)cc(O)c12	1772820614	HOMMZVQJPVUUEL-UHFFFAOYSA-N	435.816	3.951	5	40	IHBB	
Cc1c([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)nn1C	2731031	TUUGXIYJJOEBJU-UHFFFAOYSA-N	448.871	3.936	5	40	IHBB	
COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1OC	9669836	KGNMMLNNOXIIPF-UHFFFAOYSA-N	435.502	3.920	5	40	IHBB	
CC(=O)c1sc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	12694366	ISGWXZMVIRQFQM-UHFFFAOYSA-N	438.465	3.680	5	40	IHBB	
COc1ccc(NC(=O)[C@H](C)Sc2nnc3ccc(C(F)(F)F)cn23)c([N+](=O)[O-])c1	24146274	KAGBRMREILCDGN-VIFPVBQESA-N	441.391	3.784	5	40	IHBB	
CNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)c1	24623854	CFKXKVAFOWZONZ-UHFFFAOYSA-N	435.436	3.685	5	40	IHBB	
Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br	408643296	RCNFKZOUJWPANG-CYBMUJFWSA-N	432.274	3.966	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1	408662548	FHMAOFRESMFCBE-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
COc1cccc([C@H](CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c2c[nH]c3ccccc23)c1OC	604510554	PGFAZECHLCOYJK-KRWDZBQOSA-N	449.467	3.687	5	40	IHBB	
CCNc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1[N+](=O)[O-]	9562466	QMOALAKKAATVJG-QGZVFWFLSA-N	429.473	3.664	5	40	IHBB	
O=C(COc1ccc(F)cc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	24557981	OMKRMYHREPNKPM-UHFFFAOYSA-N	445.344	3.619	5	40	IHBB	
COc1ccc(CCN2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)cc1OC	34858327	XCYGEZPDFCZRBO-XOJPMGEXSA-N	443.525	3.831	5	40	IHBB	
CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1	220423782	QWWISWYWVCWLHR-OXJNMPFZSA-N	433.530	3.634	5	40	IHBB	
CCOC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1	408749189	FIBBXIBJDPJMPQ-UHFFFAOYSA-N	443.462	3.660	5	40	IHBB	
O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(Br)c1	1429584	KHUAJUOXAPZHSJ-OAHLLOKOSA-N	429.226	3.689	5	40	IHBB	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	9666697	RJCAISLAQQBKER-UHFFFAOYSA-N	441.488	3.885	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1	10313880	PMWLHTROSHYZKE-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CCOC(=O)C1CCN(c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2[N+](=O)[O-])CC1	40618861	KUKGOKIDSIFIDN-UHFFFAOYSA-N	439.394	3.927	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1C	59176293	DCFXDPLPIUDEOX-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1Cc1ccccc1	100558870	ILTXKNHWZXTCFB-FKBYEOEOSA-N	429.432	3.642	5	40	IHBB	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1/C=C/n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21	104305292	DLXCBMZCUZJLHU-ONEGZZNKSA-N	431.342	3.750	5	40	IHBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1	224540330	WHZVFDNJQLPMLO-UHFFFAOYSA-N	429.429	3.716	5	40	IHBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225498069	BSQQJJXROYQCPW-HSZRJFAPSA-N	431.492	3.523	5	40	IHBB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=S)n1nnc2ccc([N+](=O)[O-])cc21	2244294	VETHVWLHXKQIRS-INIZCTEOSA-N	427.486	3.651	5	40	IHBB	
O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)cc1Cl	3276987	BWKDMEGWSSORGX-ZZXKWVIFSA-N	429.738	3.857	5	40	IHBB	
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(-c2noc(Cc3ccccc3F)n2)cc1	12446603	JNWBRWORHMPXQI-UHFFFAOYSA-N	436.403	3.518	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc2ccccc2[nH]1	33000739	BOOPSMNMISQOHZ-UHFFFAOYSA-N	429.436	3.897	5	40	IHBB	
O=C(Nc1ccccc1OCCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	62579951	KPCMFOHXFOIKRC-UHFFFAOYSA-N	447.495	3.965	5	40	IHBB	
CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)c(C)c1	220037501	FVLNGAOYNKYMME-GOSISDBHSA-N	433.530	3.554	5	40	IHBB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	223067486	GHDBVTOGHUKKIN-LEWJYISDSA-N	437.525	3.790	5	40	IHBB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225041253	JDEOOVQTFQNUAJ-SFHVURJKSA-N	443.569	3.814	5	40	IHBB	
Cc1cc(C)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(=O)N3CCOCC3)sc2n1	12562119	GCWLZMBSGJXCEM-UHFFFAOYSA-N	440.481	3.546	5	40	IHBB	
O=C(OCc1csc(Nc2ccccc2)n1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	32824101	SIIYILZOTXEZIY-UHFFFAOYSA-N	440.481	3.989	5	40	IHBB	
O=C(O)CCSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1	408750660	QAHUCPJEADONLA-UHFFFAOYSA-N	447.450	3.722	5	40	IHBB	
Cc1cc(C(=O)NC2CCC(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)ccc1[N+](=O)[O-]	2086248	VRBKBGUMHYJWBD-UHFFFAOYSA-N	440.456	3.591	5	40	IHBB	
C[C@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(N)nc(Nc2ccccc2)n1	12643561	IZTDLPJSYAFZNG-LBPRGKRZSA-N	440.485	3.967	5	40	IHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2Br)NC(=O)N1	12660761	DDEGYRHAOJUSQO-INIZCTEOSA-N	431.246	3.624	5	40	IHBB	
Cc1ccc(/C(O)=C(/C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)cc1[N+](=O)[O-]	15953149	ACROSYWKLRCRSZ-UHFFFAOYSA-O	436.513	3.684	5	40	IHBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1Cl	16385821	HNDSBIOXICAUSQ-UHFFFAOYSA-N	430.667	3.843	5	40	IHBB	
Cc1cc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)no1	40013118	FTKINCRMAPIJDF-UHFFFAOYSA-N	426.454	3.753	5	40	IHBB	
O=C1[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	102641249	XLNWKKFDQFMZBT-OHDICMOHSA-N	430.420	3.847	5	40	IHBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223588760	YDLZEUFXVCIBDA-HXUWFJFHSA-N	441.528	3.868	5	40	IHBB	
O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc[nH]1	9465167	FHZUPUXZXFUKQE-UHFFFAOYSA-N	427.800	3.868	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C3CCCCC3)CC2)cc1	13503721	PAIJYIYJVDTXOF-QHCPKHFHSA-N	447.543	3.998	5	40	IHBB	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	16319184	UWBFNXPKVGGZPF-OAHLLOKOSA-N	437.452	3.649	5	40	IHBB	
C[C@@H]1CN(c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2F)C[C@@H](C)O1	65490882	UHSHRXTZPHFIJE-HUUCEWRRSA-N	426.448	3.941	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(Nc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1	89453639	SYRNUHOCRTZHBZ-UHFFFAOYSA-N	443.437	3.877	5	40	IHBB	
CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	106728540	KXVIRFLGTBSXNN-WQRHYEAKSA-N	442.449	3.773	5	40	IHBB	
O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1	223320168	XFFRQQOMRJNGIN-NYVOZVTQSA-N	449.536	3.932	5	40	IHBB	
O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	408675152	ACTCBVDHHURAID-YXUGBTPSSA-N	430.420	3.847	5	40	IHBB	
CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408689010	XMDCQXOMJHUDPW-OALUTQOASA-N	437.427	3.633	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC3CC(C)(C)NC(C)(C)C3)c([N+](=O)[O-])c2)C1	8726077	ADBANGOSUSAFQQ-HNNXBMFYSA-N	438.594	3.737	5	40	IHBB	
CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c1	15166399	HMQAPTAPNUNXER-AWEZNQCLSA-N	433.486	3.766	5	40	IHBB	
C[C@@H]1CCCN(c2ccc(C(=O)NCCNc3ncnc4sccc34)cc2[N+](=O)[O-])C1	32928038	SSXFZZIDCITHEI-CQSZACIVSA-N	440.529	3.678	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	220396098	RRPANXKMAIWSCC-DLBZAZTESA-N	433.530	3.552	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408688666	WMISJYVUICPZGG-HDICACEKSA-N	441.871	3.981	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	16384014	GETHLZDVKDAHNQ-UHFFFAOYSA-N	425.228	3.772	5	40	IHBB	
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1C(=O)c2ccccc2C1=O	17097435	YSMNGTTXVASLPD-UHFFFAOYSA-N	431.404	3.965	5	40	IHBB	
CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12	20609705	QDFBNJKDXHYMNG-UHFFFAOYSA-N	438.469	3.731	5	40	IHBB	
Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(C4CCCC4)c3nc12	100642259	KHHOAUJSKXOSKK-UHFFFAOYSA-N	441.535	3.525	5	40	IHBB	
O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCOCC3)cc2Br)c1	108081318	SRYYRRNPTNARGD-UHFFFAOYSA-N	437.315	3.944	5	40	IHBB	
O=C1CCN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)[C@H]2CCCC[C@@H]12	1050246	MZANFQNQIXOJOX-UXHICEINSA-N	430.482	3.909	5	40	IHBB	
Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1CCc1ccc(F)cc1	8772211	VKCGSCCTAUNNGJ-UHFFFAOYSA-N	449.438	3.874	5	40	IHBB	
CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	17099478	KYOZCZCBPQUTTH-UHFFFAOYSA-N	435.436	3.779	5	40	IHBB	
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1nncs1	2401503	MTSBPDXKDSXNQA-HNNXBMFYSA-N	440.824	3.956	5	40	IHBB	
COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	9285253	NEKHYTPBPUYEPD-UHFFFAOYSA-N	437.418	3.904	5	40	IHBB	
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1)OCc1ccccc1	8435363	ZHYYNFHWOZODAU-KRWDZBQOSA-N	426.454	3.528	5	40	IHBB	
C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)N1c2ccccc2C[C@H]1C	32950521	NOVFJOYNNXTEIP-SJORKVTESA-N	437.496	3.721	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c(Br)c1	84442256	HNOMLWCQTBIMRT-UHFFFAOYSA-N	429.277	3.610	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222567988	STONGXNCYVAUEW-NQIIRXRSSA-N	425.529	3.902	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1cccc(F)c1	408563531	AXAVPMJNMKYSAP-LPVCTFIXSA-N	447.466	3.973	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408568431	ULANDSYMAGAYTE-RZPHLTDDSA-N	429.476	3.788	5	40	IHBB	
COc1ccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c(OC)c1	408673397	RYJPLGMORZADJY-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
Cc1c([N+](=O)[O-])cnn1CCc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1	2730996	NFXBAEPWACBMCV-UHFFFAOYSA-N	444.908	3.836	5	40	IHBB	
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	12591002	CZAXRQVKSLRZOK-QMMMGPOBSA-N	428.184	3.994	5	40	IHBB	
Cc1cccc(N2CCN(CN3C(=O)S/C(=C/c4ccc([N+](=O)[O-])cc4)C3=O)CC2)c1	20265914	XKBXZFCQAOUNJC-XSFVSMFZSA-N	438.509	3.719	5	40	IHBB	
O=C(CN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1)Nc1ccc(F)cc1	40105412	XHONWIQUPGAAAM-UHFFFAOYSA-N	442.494	3.924	5	40	IHBB	
CC(C)C[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57671595	BDMDXYMVYYQLCH-HXUWFJFHSA-N	441.561	3.601	5	40	IHBB	
C[C@H]1CN(c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2F)C[C@H](C)O1	65490880	UHSHRXTZPHFIJE-GJZGRUSLSA-N	426.448	3.941	5	40	IHBB	
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	101074524	MXBNLMMPMIDQOU-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1	103614568	AGRSOIUWNDUISI-FPOVZHCZSA-N	430.395	3.516	5	40	IHBB	
O=[N+]([O-])c1cc2c(c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)c1)OCOC2	3312401	XMMBOXUWSSNZOE-UHFFFAOYSA-N	448.428	3.585	5	40	IHBB	
O=C(/N=c1\sn(-c2ccccc2)c(=O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	3844397	BNOLMNFZJUVGFA-ATJXCDBQSA-N	433.449	3.731	5	40	IHBB	
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1	9440191	DQCPOBZAHLBLMF-CQSZACIVSA-N	447.513	3.583	5	40	IHBB	
CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12	20638233	RGAYYSIJPFOEBF-PMACEKPBSA-N	436.468	3.860	5	40	IHBB	
O=c1nc2n(c3[nH]ncc13)[C@H](c1ccccc1)[C@@H](Sc1ccc([N+](=O)[O-])cc1)CS2	32594524	BLPPGPYKUIPODE-DLBZAZTESA-N	437.506	3.884	5	40	IHBB	
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)no1	36389775	IGGWGHPOKXPLCJ-VNHYZAJKSA-N	430.461	3.558	5	40	IHBB	
O=C(c1ccccc1)c1ccc(N2CCC[C@H](C(=O)Nc3nncs3)C2)c([N+](=O)[O-])c1	40151403	NXUVBHYBJUUIHG-INIZCTEOSA-N	437.481	3.532	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220388484	KLWOKKNUQMEUQG-OAHLLOKOSA-N	433.530	3.821	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2c(c1)OCCCO2	9285873	APNQWNVNNJPNPV-UHFFFAOYSA-N	433.486	3.674	5	40	IHBB	
C[C@H](NC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1	12522174	YPXBPRXCWWLHOT-LSDHHAIUSA-N	434.899	3.775	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1C	57466730	ORVJJBYXOBWRIG-IBGZPJMESA-N	447.539	3.759	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1	96347454	JLMGLKGTDSJSDR-UHFFFAOYSA-N	439.431	3.858	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1Cc1ccccc1	100558873	ILTXKNHWZXTCFB-VSKRKVRLSA-N	429.432	3.642	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223062211	VHLIRPQLDHXNDI-FQEVSTJZSA-N	429.542	3.690	5	40	IHBB	
CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	223292452	DHCQDKBWABVIEA-LEWJYISDSA-N	437.525	3.784	5	40	IHBB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1[N+](=O)[O-]	408639969	HQMXAIFEAOSKBN-QGZVFWFLSA-N	439.468	3.708	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542520	WTSJGPLICLSYDO-LPHOPBHVSA-N	433.530	3.634	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222938697	JUPRXANUXDJWBU-HNNXBMFYSA-N	433.505	3.521	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1[N+](=O)[O-]	4149983	NJCSSQDDIYCPQE-UHFFFAOYSA-N	432.435	3.725	5	40	IHBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2O)cc1	9062381	NCHDFAFQAOVXJJ-UHFFFAOYSA-N	445.391	3.855	5	40	IHBB	
COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	17099243	SCKXQEXPLBJRCV-UHFFFAOYSA-N	434.905	3.984	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc(COCc2ccccc2)cc1	32925073	NCVOGXWZOCMABN-UHFFFAOYSA-N	447.491	3.748	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1nnc(C)s1)C3=O	1868838	WEFCVNNWMABYOU-QGZVFWFLSA-N	434.433	3.919	5	40	IHBB	
O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1cccnc1	8792142	KBQMLBPKDBGSHO-UHFFFAOYSA-N	434.455	3.682	5	40	IHBB	biogenic
Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc32)cc1	223068990	YHRAGEPLVRMAHF-UHFFFAOYSA-N	437.477	3.907	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1[N+](=O)[O-]	408653065	HOEGNOSSELVODC-KRWDZBQOSA-N	447.447	3.591	5	40	IHBB	
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	2658923	NGUGKXKGCUGHKI-SFHVURJKSA-N	448.859	3.613	5	40	IHBB	
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	9064673	RDQKXOUVUHMUHS-UHFFFAOYSA-N	442.497	3.719	5	40	IHBB	
Cc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	218268932	REMLVJYACPMBBY-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1[N+](=O)[O-]	10970478	FEBQANMGBQDQQN-UHFFFAOYSA-N	440.481	3.816	5	40	IHBB	
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1	12563543	CMNZGVKSVPJBJB-UHFFFAOYSA-N	430.921	3.745	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1	409339693	KSHCYBSDVLSOAV-UHFFFAOYSA-N	441.465	3.681	5	40	IHBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1	20035911	LRLZETKYEOVMDB-UHFFFAOYSA-N	430.457	3.933	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nc(-c2cccc(Br)c2)no1	217891327	QIKKMPVVECNXSL-BQYQJAHWSA-N	429.230	3.737	5	40	IHBB	
O=C(O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225022482	FUIXFXAJTOIOJM-UHFFFAOYSA-N	428.422	3.667	5	40	IHBB	
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NC1CCCCC1	408675089	GJUKYBVKNPQWEG-UHFFFAOYSA-N	447.513	3.775	5	40	IHBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	8857517	QWHKCHXOPPEACM-UHFFFAOYSA-N	438.406	3.888	5	40	IHBB	
COc1cc(NC(=O)COC(=O)COc2cc(C)ccc2C(C)C)c(C)cc1[N+](=O)[O-]	9509858	HVFLNGYDBMGOBV-UHFFFAOYSA-N	430.457	3.904	5	40	IHBB	
CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccc([N+](=O)[O-])cc21	12806603	LSIUBKTUHYJADC-GOSISDBHSA-N	446.301	3.701	5	40	IHBB	
C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13522686	OITLREMYHFSLEM-VIFPVBQESA-N	426.303	3.526	5	40	IHBB	
COc1ccc(OC)c(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1	15534182	YGCBCKBVBBDUAI-FPYGCLRLSA-N	431.876	3.627	5	40	IHBB	
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)c1	18119072	KKWLEQOPCNKWOY-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1	32211202	QLEISTLTHCBMJM-CQSZACIVSA-N	425.514	3.765	5	40	IHBB	
O=C(COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1	408666573	RCGUQRWCOIONMT-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1	409150227	AYFZGSMBYYIJKX-CXUHLZMHSA-N	429.479	3.992	5	40	IHBB	
O=C(Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1)c1ccccc1	8832351	GJEZZUNWABKMRI-UHFFFAOYSA-N	446.463	3.936	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1Cc1ccccc1	9288700	VUKMGDAVKDJOAH-VSKRKVRLSA-N	429.432	3.642	5	40	IHBB	
CN(C)CC[C@@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C(C)(C)C	89621494	JBMCGSZKIKDKAB-LJQANCHMSA-N	426.583	3.548	5	40	IHBB	
COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225079730	HWRGDRJOOPOAGL-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O	2147427	OLXMLQFLHYUYDF-REWPJTCUSA-N	432.480	3.561	5	40	IHBB	biogenic
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	3569873	NPNGULVQGUDMDG-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187931	ZGBNTFZAVLGRJM-UHFFFAOYSA-N	428.242	3.820	5	40	IHBB	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1cccc([N+](=O)[O-])c1	13424389	JEOWCPYGZTZHMW-UHFFFAOYSA-N	436.453	3.620	5	40	IHBB	
CCOc1ccc(C(=O)Nc2ccc(I)cc2F)cc1[N+](=O)[O-]	17096738	IXCFOWSAPZIISF-UHFFFAOYSA-N	430.173	3.990	5	40	IHBB	
CCOc1cc(C(=O)O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408632913	WJWDERUMYOQCIH-UHFFFAOYSA-N	443.193	3.875	5	40	IHBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc([N+](=O)[O-])cc1	408658715	VFFSFFAFPYYFCF-GFCCVEGCSA-N	437.235	3.681	5	40	IHBB	
CCOc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1807626	ZVBVQEAHNXTWMN-UHFFFAOYSA-N	425.441	3.789	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O	13715944	SGOCPLTWYKDOMT-MRXNPFEDSA-N	429.857	3.571	5	40	IHBB	
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1	31465790	SESVHKHJNSTGBH-UHFFFAOYSA-N	427.457	3.571	5	40	IHBB	
O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	31904085	ONNUWCJWNIJTJA-UHFFFAOYSA-N	442.471	3.633	5	40	IHBB	
Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1F	57470754	CRAFNDCJGDZYFZ-MRXNPFEDSA-N	437.475	3.740	5	40	IHBB	
O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	408608913	MXNQFJZSTXZFTC-IBGZPJMESA-N	449.866	3.751	5	40	IHBB	
COc1ccc(NC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1	408667651	CBNWGTIKGRYBAT-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1	13083893	UNQHODJQRLPPLP-AWEZNQCLSA-N	448.888	3.867	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O	13713941	NLJQXFOKMIPMIG-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
O=C1N(c2ccccc2)N=C(c2ccc([N+](=O)[O-])cc2)C1(Br)Br	16488568	ACCNNJDISRCSFH-UHFFFAOYSA-N	439.063	3.832	5	40	IHBB	
CCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(C(=O)OC)ccc12	96343686	HMJAPXFNJDXAIF-UHFFFAOYSA-N	430.420	3.643	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1	109048943	IYCLRZZZCYTBAS-IAGOWNOFSA-N	432.498	3.608	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408566368	NRRFMMNDTYKTEA-XRODADMRSA-N	447.466	3.927	5	40	IHBB	
Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	828603	SHTFAHKIGYXQSX-OAQYLSRUSA-N	447.422	3.888	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3	6195093	OTKRVILBMSAQDA-UHFFFAOYSA-N	427.438	3.920	5	40	IHBB	
O=c1nc2n(c3[nH]ncc13)[C@@H](c1ccccc1)[C@H](Sc1ccc([N+](=O)[O-])cc1)CS2	32594525	BLPPGPYKUIPODE-SJORKVTESA-N	437.506	3.884	5	40	IHBB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	32996046	JELYBDWRRRFCNL-UHFFFAOYSA-N	433.420	3.814	5	40	IHBB	
Cc1c(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cccc1[N+](=O)[O-]	95929348	IZNKSVQXZOAISE-JOCHJYFZSA-N	443.463	3.865	5	40	IHBB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	223067104	OLLOPNXNDYWBAI-SFTDATJTSA-N	437.525	3.790	5	40	IHBB	
COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1	408602182	AYEXREBKNCVLLW-FMIVXFBMSA-N	437.408	3.866	5	40	IHBB	
COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CNC(=O)OCc3ccccc3)ccc12	2148364	OEDBBFIIIHYCFW-UHFFFAOYSA-N	433.416	3.787	5	40	IHBB	biogenic
CC(C)NS(=O)(=O)c1ccc(NCCc2ccc(Br)s2)c([N+](=O)[O-])c1	9117689	WSXOSRUDIQQNKE-UHFFFAOYSA-N	448.364	3.760	5	40	IHBB	
O=c1cc(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2sc3c(n12)CCCC3	13108249	ZPHDIRBSMQGLPW-UHFFFAOYSA-N	445.522	3.843	5	40	IHBB	
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21	17083392	APNWYJXJEZLMDN-HXUWFJFHSA-N	447.285	3.965	5	40	IHBB	
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	20568076	ODOICWZWEMGPAQ-UHFFFAOYSA-N	425.466	3.885	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1	21941035	HXTKFJPLLWFTCD-OAHLLOKOSA-N	429.448	3.538	5	40	IHBB	
COc1ccc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1F	32722524	LKJFTPQTUUVMSL-UHFFFAOYSA-N	429.473	3.915	5	40	IHBB	
CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	408684422	NGLYNGJHGHCLCW-FUHWJXTLSA-N	437.427	3.633	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408684429	NHPCLFVNHZCURG-OALUTQOASA-N	439.855	3.757	5	40	IHBB	
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14269950	LHZQHDMOOVMASX-UHFFFAOYSA-N	448.888	3.673	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	15389969	WUFJCJIZNNSHBH-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
Cc1c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc-2cc(O)n1CCc1c[nH]c2ccccc12	20677499	NERYYUNKUGWEMF-UHFFFAOYSA-N	429.436	3.785	5	40	IHBB	
O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@H](O)COc1cc(Cl)ccc1Cl	24833626	LXSBGAUQKSLDSR-JTQLQIEISA-N	444.658	3.705	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc2c(c1)OCCO2	89845708	MBWBZCZAHHPKFE-UHFFFAOYSA-N	427.438	3.910	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O	220385721	IZMXHPNXVYYIFG-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222504478	PRFCWIUFKLRECT-DYESRHJHSA-N	441.528	3.868	5	40	IHBB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)c(C)c1	409372592	FJXBLVBROHSLFR-RQZCQDPDSA-N	441.465	3.901	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cc1	2711672	BCXMPZIXWRNSGJ-UHFFFAOYSA-N	445.444	3.907	5	40	IHBB	
CCc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1	9288310	QOVQPPHDRSFQTD-UHFFFAOYSA-N	448.317	3.647	5	40	IHBB	
Cc1nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n(CC(C)C)c1C	10348739	XUBWDXNKGGWEKW-UHFFFAOYSA-N	434.518	3.956	5	40	IHBB	
O=C(c1csc(COc2ccc(F)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	12522518	QFERAVAFMDBQBV-UHFFFAOYSA-N	442.472	3.732	5	40	IHBB	
Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1Cc1ccc(Cl)cc1	18191177	IFYIYWRBYIWAMI-UHFFFAOYSA-N	444.900	3.962	5	40	IHBB	
COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	24875208	QKZPDPGGRYQXMM-FQEVSTJZSA-N	445.903	3.991	5	40	IHBB	
NC(=O)CCc1nnc(SCc2nc3ccccc3c3ccccc23)n1C[C@@H]1CCCO1	28945969	FJNMSDXQTVBNFI-INIZCTEOSA-N	447.564	3.869	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	9510245	MROGUWCJMHOJJG-UHFFFAOYSA-N	429.473	3.790	5	40	IHBB	
CC1CCN(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	48288073	MPWLTIIFSVLDFX-UHFFFAOYSA-N	447.539	3.838	5	40	IHBB	
COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1	95532101	UBDICMKHFPKJIR-HXUWFJFHSA-N	441.440	3.545	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	169684204	QMIFMAOWVCPMSZ-ACRUOGEOSA-N	433.395	3.785	5	40	IHBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)c([N+](=O)[O-])c1	205778335	FVQXZYDPOHYMSF-RQZCQDPDSA-N	446.437	3.851	5	40	IHBB	
COc1cc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]	408550577	DMMWZRWFVJZECQ-UHFFFAOYSA-N	449.876	3.685	5	40	IHBB	
CC1=CC(C)(C)NC(=S)N1c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	3065185	XQYSWZOQJYNAEG-UHFFFAOYSA-N	433.511	3.739	5	40	IHBB	
CSc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	3307084	DCJGJDLWTYNZRT-UHFFFAOYSA-N	434.417	3.748	5	40	IHBB	
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	58367971	OTSVUKDDAQZWOJ-NSHDSACASA-N	426.231	3.710	5	40	IHBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223407771	FYZBJFKVYFGKLC-LJQANCHMSA-N	429.492	3.999	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260508243	QHUFISSFCLLCDX-XLIONFOSSA-N	447.557	3.585	5	40	IHBB	
CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1	1062315	DIRRWUSLDBXNFR-QQNJPBSNSA-N	440.455	3.870	5	40	IHBB	
Cc1cc([N+](=O)[O-])nn1Cc1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1	2731490	LHRPLDBYSLZDFB-UHFFFAOYSA-N	448.871	3.780	5	40	IHBB	
Cc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C)c1	10186766	OSPHFADKBAPQLV-UHFFFAOYSA-N	431.495	3.682	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])s1)N(CCCN1CCOCC1)c1nc2ccccc2s1	22997250	HJCYZKFEVUBORB-UHFFFAOYSA-N	432.527	3.635	5	40	IHBB	
O=C(NC[C@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1	58218581	YOTHSPHPMJWGEI-MRXNPFEDSA-N	443.479	3.596	5	40	IHBB	
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1	260927005	XRYVWVRGNHPBNC-STZQEDGTSA-N	449.536	3.932	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N2C(=O)[C@H](C)SC2=N1	3636649	DNWXTKUEXRAZRK-LIRRHRJNSA-N	437.477	3.987	5	40	IHBB	
O=C(NCc1ccc(-c2nn3cnnc3s2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	10372893	CNAITVUMIMXJSU-UHFFFAOYSA-N	448.508	3.889	5	40	IHBB	
CCOC(=O)c1c(C)[nH]c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	15033601	XMVGCBZVJOVHAM-UHFFFAOYSA-N	442.394	3.577	5	40	IHBB	
CC(C)CCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O	40399016	JHRSLFQXMLNMFF-UHFFFAOYSA-N	432.528	3.913	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408563973	BWKWHMGIXIEAQH-VPHKFGTKSA-N	447.466	3.927	5	40	IHBB	
CC(C)Cc1nc2sc3c(ncn4c(SCC(N)=O)nnc34)c2c2c1CCCC2	9046419	FPANHQPINCHJTM-UHFFFAOYSA-N	426.571	3.542	5	40	IHBB	
Cc1ccccc1C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9891978	ISBJPYBVRCUFFI-UHFFFAOYSA-N	438.362	3.793	5	40	IHBB	
O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1Br	12570348	WWNMAYUDSPSNPX-UHFFFAOYSA-N	441.259	3.564	5	40	IHBB	
CCOc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13521931	PRAILFIPPHRUOO-JTQLQIEISA-N	427.335	3.591	5	40	IHBB	
Cc1nc2ccccc2c2c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c3ccccc3n12	33000238	RSXNVNBRAZUNKG-UHFFFAOYSA-N	441.491	3.752	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C	34688214	DDEXFTNWWIDGGN-IBGZPJMESA-N	429.473	3.952	5	40	IHBB	
CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCOCC1	9907774	RWUHFWAGIWMBTE-UHFFFAOYSA-N	433.848	3.514	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl	408566644	FVIPMHIROKKPDH-ZMDAGSBUSA-N	436.295	3.960	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408684439	NIBKBCWMMODZPL-CALCHBBNSA-N	439.855	3.757	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O	409359651	XHQHLKGJMQWMHT-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
O=C(COc1ncnc2ccc(Br)cc12)Nc1cc([N+](=O)[O-])ccc1Cl	9119922	CJRBACQGWFEKAL-UHFFFAOYSA-N	437.637	3.971	5	40	IHBB	
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C	9283387	MRMMYEAWYUSYCZ-UHFFFAOYSA-N	427.335	3.557	5	40	IHBB	
COc1cccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)c1	12527285	VALWEIXRADYQRC-XMMPIXPASA-N	429.520	3.582	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O	95929351	CWCCWSRZCKOIAS-JOCHJYFZSA-N	443.463	3.865	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1	100985369	FNORUDMBNCDKKE-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1O	106781582	UTFZGOUZDHUDMQ-YVLHZVERSA-N	430.438	3.733	5	40	IHBB	
O=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	113887936	IPXCMXINJJFGQP-UHFFFAOYSA-N	438.767	3.547	5	40	IHBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225659288	SSQQZKUMXNGEBA-MRXNPFEDSA-N	431.920	3.980	5	40	IHBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)nc12	10218476	CISCGUYFVPSSDT-UHFFFAOYSA-N	449.510	3.714	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C1=O	18142650	LYHURZVPPLFWJW-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
COc1ccc(CCN2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)cc1OC	100889627	XCYGEZPDFCZRBO-YIKPVDIZSA-N	443.525	3.831	5	40	IHBB	
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	8834893	UYJMLOFRIIKCKI-IBGZPJMESA-N	441.871	3.852	5	40	IHBB	
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1	20154358	XUYKHTGOKPAUHQ-UHFFFAOYSA-N	432.480	3.836	5	40	IHBB	
CCc1nc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)sc1C	32936064	NTFZNHQROHHLAQ-UHFFFAOYSA-N	446.510	3.975	5	40	IHBB	
CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1	220396524	AGOQXIHTIBNKQQ-LPHOPBHVSA-N	433.530	3.634	5	40	IHBB	
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1	8816622	GAZRAWZNGJZURV-UHFFFAOYSA-N	435.459	3.703	5	40	IHBB	
COc1ccc(-c2cc(-c3nnc4n3N=C(c3ccc([N+](=O)[O-])cc3)CS4)[nH]n2)cc1	70503656	SLWWJYQCSACMTR-UHFFFAOYSA-N	433.453	3.610	5	40	IHBB	
COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1	13786649	WJWDXWPFSSJJII-AGILITTLSA-N	439.512	3.910	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	106782085	SAGAHYGEZZGHRZ-BOPFTXTBSA-N	430.438	3.733	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O	220733586	BJVVWAJPNOUKLB-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	408702169	KNXPOJQHBFIOIC-UHFFFAOYSA-N	444.296	3.938	5	40	IHBB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O	409060262	YYNGCJHZFPXGDW-WOJGMQOQSA-N	442.449	3.773	5	40	IHBB	
CCOc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-]	8831782	YJHANEQWQIYARS-UHFFFAOYSA-N	445.344	3.651	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1	9367584	IQDYCUBWFYTYQL-HUUCEWRRSA-N	447.513	3.522	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	12403708	IRFVDMSIEMBDIQ-UHFFFAOYSA-N	446.416	3.658	5	40	IHBB	
CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2oc1=O	2887469	SVJKAZUQRAZQMH-UHFFFAOYSA-N	430.800	3.712	5	40	IHBB	
O=C(COc1ncnc2cc([N+](=O)[O-])ccc12)Nc1ccccc1C(=O)c1ccccc1	9439616	NYLFOFOIZBKLPJ-UHFFFAOYSA-N	428.404	3.787	5	40	IHBB	
O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12883662	DJUXKJIFFGNFHX-KRWDZBQOSA-N	441.868	3.569	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3	13388645	GSLDTILUHZIJOU-UHFFFAOYSA-N	430.511	3.513	5	40	IHBB	
O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(I)o1	13600966	DZHMWHQAMBDCIB-WDZFZDKYSA-N	444.568	3.790	5	40	IHBB	
CC(C)OC(=O)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1[N+](=O)[O-]	14379078	JUHMVTTXEQGYQW-IBGZPJMESA-N	439.468	3.534	5	40	IHBB	
CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1	21596140	PWZNXSXSQNCVLU-UHFFFAOYSA-N	429.483	3.680	5	40	IHBB	
Cc1cc(C)cc(NC(=O)[C@H](OC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)c1	21751701	LKOAFBPMXWCQCP-JOCHJYFZSA-N	436.468	3.948	5	40	IHBB	
C[C@@H](OC(=O)c1csc(-c2ccccn2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	58161363	IXIZXEUTWLIWHW-SNVBAGLBSA-N	432.845	3.951	5	40	IHBB	
C[N+](C)(CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1)COC(=O)c1cccc(F)c1	98086595	AQQJRMOBICZDRD-VWLOTQADSA-N	444.523	3.638	5	40	IHBB	
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2=O)cc1	9715670	NRCYNFQFLCSFHR-QHCPKHFHSA-N	439.468	3.726	5	40	IHBB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)C1	14360648	PDFZTIDPBCGJQE-HOTGVXAUSA-N	432.498	3.618	5	40	IHBB	
COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)cc1	224048628	MDRZLLSGCKABQA-QGZVFWFLSA-N	439.512	3.622	5	40	IHBB	
O=c1c2cc(Br)cc(Br)c2oc2nc3n(c(=O)c12)CCCS3	602637	JPLRLAMFKKUFIV-UHFFFAOYSA-N	444.104	3.524	5	40	IHBB	
CC(C)CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O	2094777	WVURHXBQJVJIRJ-URXFXBBRSA-N	446.507	3.807	5	40	IHBB	biogenic
COc1ccc(OC)c(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])c1	9209834	ZENPLTJKAHXUHA-UHFFFAOYSA-N	430.852	3.993	5	40	IHBB	
COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1OC	20759944	TZHLPSSCXDUCNV-UHFFFAOYSA-N	444.469	3.625	5	40	IHBB	
CNS(=O)(=O)c1ccc(NCCc2csc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1	58175130	GUFLMUOFHPGOSD-UHFFFAOYSA-N	432.527	3.589	5	40	IHBB	
CCOC(=O)c1c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc2c1C	69189876	NFHMQTNQXUBNSZ-UHFFFAOYSA-N	434.496	3.950	5	40	IHBB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224943646	ATNZGFWUKYLLQH-OAQYLSRUSA-N	425.529	3.759	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21	1083103405	QDQJBHNRFUPYAW-JRINMYIISA-N	434.540	3.971	5	40	IHBB	
C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@H]1CCCO1	8792367	SNFQBHRFUKTLQS-NVXWUHKLSA-N	441.487	3.654	5	40	IHBB	biogenic
CC(C)Oc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	9443800	QETCJAKEAXCSAN-UHFFFAOYSA-N	447.494	3.924	5	40	IHBB	
Cc1cccc(-n2ccnc2SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1	10380256	SMMZLTFMMNYVMQ-UHFFFAOYSA-N	440.481	3.981	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	14862231	MRKAOFSFMDHMAT-UHFFFAOYSA-N	427.457	3.641	5	40	IHBB	
COCCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1OC	24937337	IXUHFQFSVMIPLF-UHFFFAOYSA-N	429.473	3.871	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1	101238011	VUKMGDAVKDJOAH-BDTNDASRSA-N	429.432	3.642	5	40	IHBB	
COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1	25269633	JVCPMWKLGTWACV-UHFFFAOYSA-N	433.464	3.830	5	40	IHBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	103002664	NCUNSLYYVYSWPP-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
CC(C)C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1	220422126	NLYXXLLAQTWRNA-OXQOHEQNSA-N	433.530	3.653	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c(C)c1	408550863	FVGWEHSJIQXTBN-QGZVFWFLSA-N	431.514	3.559	5	40	IHBB	
COc1ccc(OCCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	3095315	VIPUFKYJTVXGEF-UHFFFAOYSA-N	430.404	3.910	5	40	IHBB	
C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	5025261	NQPKXBIPYNWBFY-RNXZQOMOSA-N	426.561	3.681	5	40	IHBB	
CC(C)c1nnc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1	12781236	GZRTZUQWVHWJGR-UHFFFAOYSA-N	447.498	3.623	5	40	IHBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1	13303411	GOZNAOIWMYBHOY-UHFFFAOYSA-N	443.393	3.523	5	40	IHBB	
CCN(CC)C(=O)CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12	2969113	MOHIXEISDBZMDG-UHFFFAOYSA-N	436.497	3.813	5	40	IHBB	
O=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	113888284	BDNANQKHLVTGAV-UHFFFAOYSA-N	438.767	3.547	5	40	IHBB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1	220423637	QWWISWYWVCWLHR-OXQOHEQNSA-N	433.530	3.634	5	40	IHBB	
CCCC[C@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	224861164	OQIYWTBOHVKAMW-KRWDZBQOSA-N	427.567	3.782	5	40	IHBB	
O=C(Nc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1)c1ccccc1	8836895	SZNZREZUHMCFJS-UHFFFAOYSA-N	428.408	3.680	5	40	IHBB	
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC(=O)OCc1ccccc1	9963300	CZHOJMUXPTXUAZ-UHFFFAOYSA-N	428.388	3.565	5	40	IHBB	
O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1Cl	20153336	OQKDWLCVSHKETN-UHFFFAOYSA-N	448.888	3.673	5	40	IHBB	
O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1OCc1cccc([N+](=O)[O-])c1	56949888	VSWYBHNXJFGBGZ-UHFFFAOYSA-N	439.443	3.588	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1nc(-c2ccccc2)c(C)s1	79062556	KBUABQWJAQGTDW-UHFFFAOYSA-N	433.511	3.556	5	40	IHBB	
O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	408611588	UCMHMTGRBHKOOL-GOSISDBHSA-N	449.866	3.751	5	40	IHBB	
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)n1	8683856	JRHPCHCZLFJRNI-UHFFFAOYSA-N	433.829	3.811	5	40	IHBB	
Cc1[nH]ncc1CCCNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	12559005	DHOIXGBKJHODCD-UHFFFAOYSA-N	435.550	3.528	5	40	IHBB	
CN1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2nc3ccccc3nc21	14329813	JPUVLWVHZMLXBJ-UHFFFAOYSA-N	449.514	3.971	5	40	IHBB	
Cn1c(=O)oc2cc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)ccc21	24839884	PFMUOFUARNMDDK-UHFFFAOYSA-N	432.435	3.536	5	40	IHBB	
Cc1ccc(C(=O)N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2cccc(F)c2)cc1	864612	PPTXURCBINJSTR-UHFFFAOYSA-N	433.395	3.943	5	40	IHBB	
CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	9064787	LNPKXKCFOFZLLI-UHFFFAOYSA-N	441.513	3.670	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1	408664572	RIDLLNWYTCWZPL-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
O=C(COc1ccc(I)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	21125514	SEVSUEMHYGWGGE-UHFFFAOYSA-N	432.601	3.870	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2)cc1	22258844	NWINABVHDPMGIU-CQSZACIVSA-N	437.905	3.596	5	40	IHBB	
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1F	222388622	LVKGPTVLYOPSGS-UHFFFAOYSA-N	443.456	3.952	5	40	IHBB	
O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1cc(Cl)ccc1[N+](=O)[O-]	3300516	QXOIKAFVGZFOGX-NTEUORMPSA-N	437.886	3.776	5	40	IHBB	
Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCc1ccccc1[N+](=O)[O-]	9328781	ZZNNHOSGRHZVGG-UHFFFAOYSA-N	431.905	3.642	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1	22258851	LLFFIBCXBZSAGV-CQSZACIVSA-N	437.905	3.596	5	40	IHBB	
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1	58193715	STZGPYXMNJDEIG-INIZCTEOSA-N	441.440	3.612	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3[C@@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)c1	102711609	FNORUDMBNCDKKE-BHDDXSALSA-N	429.432	3.954	5	40	IHBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCC1	2113499	SSIFSZDXPSPDCV-URXFXBBRSA-N	444.491	3.704	5	40	IHBB	biogenic
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	9426391	FBZRLLXCKQXTBI-UHFFFAOYSA-N	437.905	3.596	5	40	IHBB	
CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	58159048	DNVHJROHJAQIEA-CQSZACIVSA-N	430.892	3.600	5	40	IHBB	
CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	84750304	IQSSAPMHZCIYAB-UHFFFAOYSA-N	431.514	3.822	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)C1	103497180	KLUULKRWGIQZJD-LSDHHAIUSA-N	447.513	3.917	5	40	IHBB	
Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl	220363754	ZWVDOCBRZIPLBZ-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
O=C(O)c1cc([N+](=O)[O-])c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1	8854834	JQFSFVJAWLRQIF-UHFFFAOYSA-N	440.334	3.547	5	40	IHBB	
Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C)c1Cl	8902610	WDLLNSCYWMNLCW-UHFFFAOYSA-N	448.932	3.828	5	40	IHBB	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	9591791	UITNWZRWPFVEQY-UHFFFAOYSA-N	432.498	3.905	5	40	IHBB	
C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1	10210312	KQQWSINBBGTPNO-CQSZACIVSA-N	426.425	3.600	5	40	IHBB	
CCOC(=O)c1c(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc2c1C	30909442	ZWDFITBTYWXEPX-UHFFFAOYSA-N	438.392	3.714	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102733858	MXBNLMMPMIDQOU-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	102741837	TVNKGLFFGUBVSO-QHAWAJNXSA-N	433.395	3.785	5	40	IHBB	
CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	18005043	MITGKAJNOKIKAL-SFHVURJKSA-N	425.485	3.887	5	40	IHBB	
O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	19900014	HAZJDCZJZGXQFK-UHFFFAOYSA-N	431.492	3.985	5	40	IHBB	
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2	89851160	GUQDKGDUOKEHJV-UHFFFAOYSA-N	448.431	3.602	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	101038502	GHOVMVSZIPSWNX-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CCCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1[C@H](CC)N(C)C	2618760	VLKJJCJVANOAEF-INIZCTEOSA-N	438.529	3.869	5	40	IHBB	
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1cccc([N+](=O)[O-])c1	19927874	HFDQOZCTTRVBMF-UHFFFAOYSA-N	434.275	3.873	5	40	IHBB	
NS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	9970852	RVJGIPAUBZJYLX-NRFANRHFSA-N	440.456	3.737	5	40	IHBB	
O=[N+]([O-])c1cccc([C@H]2N3CCc4ccccc4[C@H]3CN2S(=O)(=O)c2ccccc2)c1	12376833	BBJPPDOLVXDEKW-PKTZIBPZSA-N	435.505	3.897	5	40	IHBB	
COC(=O)C[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F	96231667	BZNVFHXEUUOWFB-ZDUSSCGKSA-N	435.358	3.727	5	40	IHBB	
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	1087571	GGWYYPBMPAFXIV-OAQYLSRUSA-N	447.451	3.591	5	40	IHBB	
CC(=O)Oc1ccccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	2366113	GBWMNZISJUWYSX-UHFFFAOYSA-N	430.372	3.552	5	40	IHBB	
O=C(NCc1cccs1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12	11692076	CZHZVVHNWYGTDH-UHFFFAOYSA-N	425.473	3.869	5	40	IHBB	
CCOc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	29541048	MSOUIWFDWGSRQF-UHFFFAOYSA-N	441.531	3.902	5	40	IHBB	
Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	224119560	ZBBXPVFPDPYRBO-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225752176	HTKDZIRKRNLOHE-UWJYYQICSA-N	441.528	3.868	5	40	IHBB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	409205344	PWALNXJHFQIMME-ATVHPVEESA-N	429.454	3.765	5	40	IHBB	
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCC(c1ccccc1)c1ccccc1	3421502	UNNQTYYLURFSOL-UHFFFAOYSA-N	442.475	3.643	5	40	IHBB	
Cc1c(OCC(=O)N(C)C[C@H](O)c2ccc(O)cc2)ccc2c1oc(=O)c1ccccc12	9410590	LRBDICQCMLTQIS-NRFANRHFSA-N	433.460	3.531	5	40	IHBB	
CCOc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57577060	SHCQMLPIVRDWGA-KRWDZBQOSA-N	449.511	3.691	5	40	IHBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223992235	ZKENZQYLMVNTTM-OAQYLSRUSA-N	441.528	3.870	5	40	IHBB	
COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1	2305370	SWSCLMAZRPUDOT-UHFFFAOYSA-N	429.480	3.637	5	40	IHBB	
C[N+]1(CCOC(=O)CCCCC(=O)OCC[N+]2(C)CCCCCC2)CCCCCC1	4977198	AHQKJQCCQRCDLU-UHFFFAOYSA-N	426.642	3.674	5	40	IHBB	
CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2cc3c(cc2s1)OCCO3	10066921	WPOIRWVRBBHCHH-UHFFFAOYSA-N	446.485	3.557	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O	10330908	MCWSQZUCHTWQDN-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)CC1=O	10461949	UGJVDLPMCXJHCN-QGZVFWFLSA-N	438.484	3.743	5	40	IHBB	
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2	33492392	BPUSILHYRKOOOT-KRXBUXKQSA-N	436.449	3.908	5	40	IHBB	
CCOc1ccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1[N+](=O)[O-]	57316934	AEIFPPOTBVWTQH-UHFFFAOYSA-N	438.469	3.974	5	40	IHBB	
CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)c(C)c1	220037543	FVLNGAOYNKYMME-SFHVURJKSA-N	433.530	3.554	5	40	IHBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1	409234873	NNSULZHLRCWCNR-MTEHDHEFSA-N	439.449	3.835	5	40	IHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)nc21	2339756	CSAVQURHJHASFU-UHFFFAOYSA-N	438.443	3.872	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	2662820	GQBBUSZFCFZQPS-UHFFFAOYSA-N	437.477	3.594	5	40	IHBB	
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	9281978	VMPPFJVZCMFYDD-NRFANRHFSA-N	435.480	3.978	5	40	IHBB	
COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	19640632	JWEKQBFTHAFPQR-UHFFFAOYSA-N	444.494	3.862	5	40	IHBB	
CC[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1	222367645	UXELZQUEIMRDND-FQEVSTJZSA-N	433.530	3.717	5	40	IHBB	
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1	223320367	XRYVWVRGNHPBNC-NYVOZVTQSA-N	449.536	3.932	5	40	IHBB	
COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	224527114	NHLQIQJOENFQAV-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	12523041	LPQXYJROBBFBAP-UHFFFAOYSA-N	446.454	3.964	5	40	IHBB	
O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	12772424	PQBLYJHLOFGGTB-MRXNPFEDSA-N	441.440	3.612	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1cccc(Cn2ccnc2)c1	32916268	FHRXBKARYOKKNV-UHFFFAOYSA-N	441.513	3.758	5	40	IHBB	
Cc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=N)c1	100903935	XPJFFEYHHSNZOW-UHFFFAOYSA-N	449.514	3.932	5	40	IHBB	
COC(=O)c1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc([N+](=O)[O-])c1	3410401	MTTUGGHAAJXCNG-UHFFFAOYSA-N	433.372	3.998	5	40	IHBB	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	9669536	NDHDAPAONBLLFG-UHFFFAOYSA-N	439.903	3.764	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	15437501	OGWKELFICGALPR-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408679415	DYXVCPZKFOTQCJ-MDASCCDHSA-N	439.443	3.713	5	40	IHBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408687650	URWLJMYFNBTUIU-NIKGAXFTSA-N	439.443	3.713	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408688396	WEYNGCBSKYZGEP-ROUUACIJSA-N	439.855	3.757	5	40	IHBB	
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nncs1	1817585	MDVIMLMHLPQNFF-HNNXBMFYSA-N	440.824	3.956	5	40	IHBB	
Nc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nc(N3CCOCC3)c3c(c12)CCCC3	2220525	UQXYRFICJRRSSK-UHFFFAOYSA-N	438.509	3.733	5	40	IHBB	
Cc1ccc(C2=N/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)cc1[N+](=O)[O-]	9043952	WHRWEOHEIAOAOZ-PQMHYQBVSA-N	431.198	3.739	5	40	IHBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1	12137628	QHCQIBWNUKAYED-OAHLLOKOSA-N	447.513	3.612	5	40	IHBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC	32854577	PEHMUGYPSWFKLU-UHFFFAOYSA-N	431.470	3.511	5	40	IHBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224741696	WFXSXEGVIWBMLM-HXUWFJFHSA-N	429.492	3.856	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O	409051275	JZYFDSXCRDFHDV-YBEGLDIGSA-N	434.401	3.563	5	40	IHBB	
CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CCCC2	2617356	ZLMBGSYFFOGQFV-LLVKDONJSA-N	431.470	3.678	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	4015865	DHEISUYQFLNNFD-QQNJPBSNSA-N	438.439	3.735	5	40	IHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1	8836785	KTBYKVCPRJOFFH-UHFFFAOYSA-N	443.507	3.778	5	40	IHBB	
CS(=O)(=O)c1ccc(NCCCSc2nnc(-c3cccs3)o2)c([N+](=O)[O-])c1	8843950	LUUXQKPBUYKATP-UHFFFAOYSA-N	440.528	3.704	5	40	IHBB	
CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	10333349	HVSAXKUOBSBQFB-UHFFFAOYSA-N	443.456	3.952	5	40	IHBB	
COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	12420376	ZNQUDZLFZRTMDS-XMMPIXPASA-N	432.432	3.611	5	40	IHBB	
C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1	12522176	YPXBPRXCWWLHOT-GJZGRUSLSA-N	434.899	3.775	5	40	IHBB	
CN(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	12773343	FZLSWHHSZIVNRG-UHFFFAOYSA-N	428.297	3.751	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1Br	13400619	BRXDYKZYNOWVMK-UHFFFAOYSA-N	448.302	3.884	5	40	IHBB	
CCCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	17094816	HQTNNOXSJKHCFE-UHFFFAOYSA-N	426.473	3.812	5	40	IHBB	
Cc1c(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C	9428619	SMMSYZHKCFAMAX-UHFFFAOYSA-N	449.471	3.663	5	40	IHBB	
CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	9465637	WFACOQMOUFHQRI-ZDUSSCGKSA-N	436.848	3.986	5	40	IHBB	
C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(S(N)(=O)=O)cc1	16063106	CIZKMVMJXRRBLV-NSHDSACASA-N	449.872	3.647	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1	19343020	PDDOMAIIKJICJH-HXUWFJFHSA-N	439.545	3.670	5	40	IHBB	
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21	26127481	LKSILOXGOUMVNT-UHFFFAOYSA-N	439.515	3.706	5	40	IHBB	
CCOC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224763613	IKYJTWSKBNWMTI-UHFFFAOYSA-N	448.497	3.675	5	40	IHBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225575584	IGULUUYKLJXBGI-INIZCTEOSA-N	447.532	3.909	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)o1	409078157	HUSDRMRAYUFUCM-UHFFFAOYSA-N	425.401	3.518	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	8874887	KJVWYNKVGACABQ-OAHLLOKOSA-N	436.877	3.678	5	40	IHBB	
Cc1c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	9662692	ABOWCINXIWUEQV-INIZCTEOSA-N	449.511	3.881	5	40	IHBB	
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N(c3cccc([N+](=O)[O-])c3)C(=O)N2C)ccc1O	12899802	CMHLCSQGCSDERQ-HXUWFJFHSA-N	441.440	3.759	5	40	IHBB	
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1	25382688	CQGZYRAHHZKVJE-HNNXBMFYSA-N	437.427	3.961	5	40	IHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3	28608049	WXFYZYSBUYMGNX-UHFFFAOYSA-N	444.538	3.996	5	40	IHBB	
CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21	100826813	PGCSIHZQCCKTGG-INIZCTEOSA-N	436.537	3.549	5	40	IHBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1	409107187	VOGGKKXVRFVDPP-PDGQHHTCSA-N	446.419	3.695	5	40	IHBB	
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3417150	BFXSIOHJLAOANX-UHFFFAOYSA-N	448.431	4.000	5	40	IHBB	
CC(C)N(CCNS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(C)C	13038376	XIZMWQMVUIHAJE-UHFFFAOYSA-N	434.562	3.604	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1	24920816	NEBZKPFPIMIMGX-UHFFFAOYSA-N	426.473	3.815	5	40	IHBB	
O=C(NCc1ccnc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	40133033	PPAKUVGOJBIACW-UHFFFAOYSA-N	434.452	3.549	5	40	IHBB	
CCSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)n1	40398913	XSBUOHSWXCIWCK-ACJLOTCBSA-N	436.541	3.682	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	218516005	WISPCRBHXIUECC-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1	408663262	HGRIIRIKNKAPOV-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	1518325	ZWDIJNSNTQBECQ-UHFFFAOYSA-N	441.465	3.681	5	40	IHBB	
CC(C)c1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1	10296600	MQRRYLSNWWNCDS-LJQANCHMSA-N	430.428	3.562	5	40	IHBB	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	22357298	ZRDRCGJAPPJPGK-UHFFFAOYSA-N	444.421	3.889	5	40	IHBB	
O=C(NC[C@H](c1cccs1)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	24871180	JYUYANMFTIUUHQ-HXUWFJFHSA-N	428.558	3.826	5	40	IHBB	
Cc1cc(=O)oc2c(C)c(Oc3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])ccc12	33010741	WRWLHQYAEQWAQR-UHFFFAOYSA-N	432.454	3.797	5	40	IHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)c1	408666017	NDTHPTYPXYHZFC-UHFFFAOYSA-N	449.847	3.548	5	40	IHBB	
COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	9209850	QZJPUMMCLCPFHZ-XWGVYQGASA-N	439.512	3.910	5	40	IHBB	
CC(=O)c1cccc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)c1	9829073	QMPVJAOUKXBZMJ-UHFFFAOYSA-N	448.464	3.633	5	40	IHBB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C	20634818	SMPNETMSAOULRQ-SFHVURJKSA-N	437.452	3.732	5	40	IHBB	
Cc1cc(Cl)c(S(=O)(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-]	95461949	CEZGSKGATYSALB-KRWDZBQOSA-N	428.869	3.582	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222516062	MCJFOHQGIIOZPS-MRXNPFEDSA-N	445.419	3.797	5	40	IHBB	
CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1	8904391	NNLDGAUWFUEIDC-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
CS(=O)(=O)c1ccc(Nc2cccc(-c3nnc4n3CCCCC4)c2)c([N+](=O)[O-])c1	9127414	VKXMSRKUMONACH-UHFFFAOYSA-N	427.486	3.727	5	40	IHBB	
COc1ccc2sc(S[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3=O)nc2c1	100964384	IPJGRQOJPOJPIA-HNNXBMFYSA-N	433.442	3.776	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	100997167	IOSCYWBRIHXQPY-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1	845507	OWUZGMDBJFSQKB-HNNXBMFYSA-N	429.317	3.794	5	40	IHBB	
Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc12	2321565	FNCROCYTQOOKLG-LLVKDONJSA-N	446.843	3.604	5	40	IHBB	
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc([N+](=O)[O-])cc1)N(CCN(C)C)C3=O	10233061	HMDNANUIVKTBKV-LJQANCHMSA-N	441.871	3.770	5	40	IHBB	
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	22402568	DEBHPTWYWSQZOA-UHFFFAOYSA-N	435.868	3.939	5	40	IHBB	
CCn1ccc(=O)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	95452971	PIGCKAORMJSOFU-UHFFFAOYSA-N	438.406	3.650	5	40	IHBB	
COc1ccc(/C=C2\N=C(S)N(C3CCCCC3)C2=O)cc1Cn1ccc([N+](=O)[O-])n1	2793477	NTMOSCJWVKNQGU-ATVHPVEESA-N	441.513	3.650	5	40	IHBB	
CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl	9227388	ODFWLHAKWFLDPF-UHFFFAOYSA-N	446.312	3.859	5	40	IHBB	
COc1ccc([C@H]2[C@@H]3CC(C)(C)OCC3=NN2C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	13509942	UFFFDFKPRJCDEL-UTKZUKDTSA-N	439.468	3.980	5	40	IHBB	
C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1	13614647	HKSHRQWKMJNVJL-KRWDZBQOSA-N	439.493	3.668	5	40	IHBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	224246432	LCHXQFIHYMPDRP-MRXNPFEDSA-N	431.920	3.980	5	40	IHBB	
COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	9971661	ZTVXAADKXLRMSG-UHFFFAOYSA-N	426.450	3.948	5	40	IHBB	
COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	18059525	GFEQTTSYRQKZLP-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
O=C(CCc1nc(-c2cccnc2)no1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F	59253284	VBSKKBGRMAPPCH-UHFFFAOYSA-N	435.362	3.564	5	40	IHBB	
COc1ccccc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12	9316670	LDDRPWMBFIYDCM-UHFFFAOYSA-N	430.420	3.922	5	40	IHBB	
Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)cc1	12776789	ZEPQVHAWQCAZJS-GOEBONIOSA-N	436.424	3.611	5	40	IHBB	
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1	14641047	CWKIDFQSAHDFEP-UHFFFAOYSA-N	430.313	3.686	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1	23043318	JGSKFJMMPRKJIA-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
O=C(COc1ccc(F)cc1F)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	23114494	JMQCMCRJCRDKSW-UHFFFAOYSA-N	448.403	3.723	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260507876	OUWJFYDMEGYSOU-YLJYHZDGSA-N	447.557	3.942	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Br	16226658	NIPVAENAHPDGPD-VMPITWQZSA-N	436.287	3.892	5	40	IHBB	
CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	19603946	BTLSZTFPWLRYKX-UHFFFAOYSA-N	427.844	3.897	5	40	IHBB	
O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	36397029	MLCAEOUOEKYSGS-UHFFFAOYSA-N	429.436	3.696	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260941288	SHTKQKWLSVWHPB-VFNWGFHPSA-N	445.541	3.506	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(F)cc1	408574063	UNJYRVRIBSIMJK-POIRLRRGSA-N	447.466	3.973	5	40	IHBB	
COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	1417273	CWIHVHQYYICNMT-GIJQJNRQSA-N	430.438	3.857	5	40	IHBB	
Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1	2257892	LVCCKFVETYBFFI-GOSISDBHSA-N	425.492	3.830	5	40	IHBB	
COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1	3223928	RPLMSPPBGKNXNB-UHFFFAOYSA-N	445.431	3.546	5	40	IHBB	
Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	9129375	YDPQEQOMBNCARK-UHFFFAOYSA-N	444.542	3.861	5	40	IHBB	
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1	12605595	VZWFXPUWVOXWAZ-UHFFFAOYSA-N	430.339	3.739	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2c(C)cc(C)cc23)c([N+](=O)[O-])c1	13388653	JILXTEQCEVSUOW-UHFFFAOYSA-N	438.469	3.771	5	40	IHBB	
O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1cccc2cccnc12	59417135	VMCXABFWCNMRMA-UHFFFAOYSA-N	435.358	3.736	5	40	IHBB	
Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)ccc32)cc1	223376918	PKFXHNZXFUWDEQ-UHFFFAOYSA-N	437.477	3.907	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223595373	GVBVXVDHADGAHG-KRWDZBQOSA-N	429.542	3.690	5	40	IHBB	
CCCOc1cccc(C(=O)N2CCN(c3ccc(C(=O)OCC)cc3[N+](=O)[O-])CC2)c1	408572278	IDOXKIZKTXCMGF-UHFFFAOYSA-N	441.484	3.523	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409347781	QVLZJMGBCCIXLM-VCHYOVAHSA-N	428.422	3.531	5	40	IHBB	
COc1ccc([C@H](CNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(C)C)cc1	9339319	GSBUKLWLEWWBEH-QFIPXVFZSA-N	426.517	3.626	5	40	IHBB	
COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N(C)C)cc1	9339320	GSBUKLWLEWWBEH-JOCHJYFZSA-N	426.517	3.626	5	40	IHBB	
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	58193712	STZGPYXMNJDEIG-MRXNPFEDSA-N	441.440	3.612	5	40	IHBB	
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1	2761128	CBMYTZXNDAGOLW-UHFFFAOYSA-N	447.791	3.798	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1	13083891	UNQHODJQRLPPLP-CQSZACIVSA-N	448.888	3.867	5	40	IHBB	
COc1ccc(S(=O)(=O)NC(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1	58306501	XUUFAKRDUYRDIG-UHFFFAOYSA-N	429.292	3.580	5	40	IHBB	
O=C(O)c1ccccc1C(=O)c1ccc(N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])c1	72190701	GKUXNYLCULEQHX-UHFFFAOYSA-N	437.496	3.979	5	40	IHBB	
CCOC(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)cc([N+](=O)[O-])c1C	79001494	XMHHCLAYWHTLNO-UHFFFAOYSA-N	431.426	3.536	5	40	IHBB	
COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	100379040	ZGJQSPINOPAOTC-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
O=C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	102641254	PPRKBCRKRWLLLW-YJZQOORCSA-N	430.420	3.847	5	40	IHBB	
CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224773368	GUZPMLSDFRVLCN-UHFFFAOYSA-N	446.266	3.723	5	40	IHBB	
COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)Nn1c(nc3ccccc3c1=O)C2	988467	FFNGMMWDTKGLQD-QHCPKHFHSA-N	444.447	3.559	5	40	IHBB	
C[C@@H](C[N+]1(C)CCCCC1)OC(=O)CCCCC(=O)O[C@@H](C)C[N+]1(C)CCCCC1	5527855	MYRKMZPLEWKEQK-VXKWHMMOSA-N	426.642	3.671	5	40	IHBB	biogenic,in-vitro
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2	6232601	ZMSAXUCSJZMEOC-UHFFFAOYSA-N	439.497	3.884	5	40	IHBB	
CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc2c1	9141171	NRJSLFUYQCZUFI-UHFFFAOYSA-N	435.483	3.569	5	40	IHBB	
COc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(OC)c1OC(C)=O	16321777	MDLMFGMZXXGKRD-GIDUJCDVSA-N	446.799	3.535	5	40	IHBB	
Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])s3)nc2c1	22998612	DLEUWWPUEHTQDA-UHFFFAOYSA-N	446.554	3.862	5	40	IHBB	
CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-]	9961152	ITMMHXHCJYDNKE-NSHDSACASA-N	444.918	3.553	5	40	IHBB	
COc1ccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-]	31584950	MPOLEIXUWSIASA-ZDUSSCGKSA-N	449.389	3.685	5	40	IHBB	
C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)N1c2ccccc2C[C@H]1C	32950515	NOVFJOYNNXTEIP-IAGOWNOFSA-N	437.496	3.721	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1	224411493	ASQVWQHCNWPSMT-UHFFFAOYSA-N	439.493	3.976	5	40	IHBB	
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	2408493	ZELPWSOJRWOKDC-NRFANRHFSA-N	435.480	3.978	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)cc(Cl)c1N	10960686	PVHBNIUOWITGHC-QMMMGPOBSA-N	428.228	3.676	5	40	IHBB	
Cc1ccc(-c2nn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1	12745519	IBXYFSAJNXDYHO-LJQANCHMSA-N	431.448	3.720	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1cccc(F)c1)c1ccc(F)cc1	16399098	DKGMJWAJXOIZOZ-UHFFFAOYSA-N	441.390	3.764	5	40	IHBB	
CC1=NN(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)[C@](O)(C(F)F)C1	33806770	GZQJYEWNHNCSLN-QGZVFWFLSA-N	429.763	3.596	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408564427	CTZLCAYQFSRUGT-XRODADMRSA-N	429.476	3.788	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	409340962	BOCVGFOUNJWWIF-FRKPEAEDSA-N	447.856	3.937	5	40	IHBB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1	627597	LYOWEEXMFYBKKA-HNNXBMFYSA-N	437.473	3.527	5	40	IHBB	
COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1ncccc1[N+](=O)[O-]	9310672	VVKZXMBXKQAYDE-UNOMPAQXSA-N	446.444	3.561	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O	10371894	UUMCRLBPESUUNO-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CC(C)C(=O)Nc1cccc(C(=O)N[C@@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c1	12401205	NEQHJCYWEBQXBB-KRWDZBQOSA-N	433.848	3.789	5	40	IHBB	
C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	12750891	GGBFDTIEIXMGQR-ONGXEEELSA-N	443.938	3.810	5	40	IHBB	
Cc1cc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	40155611	KGSUILWJJGHUME-UHFFFAOYSA-N	430.468	3.845	5	40	IHBB	
CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57577058	SHCQMLPIVRDWGA-QGZVFWFLSA-N	449.511	3.691	5	40	IHBB	
COc1cc(-c2noc(CCCCCNc3nc4sccn4c3[N+](=O)[O-])n2)ccc1O	72275427	QRUWJBLLJYCFFH-UHFFFAOYSA-N	444.473	3.893	5	40	IHBB	
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O	10233060	DHQMEFRYMJXDHJ-IBGZPJMESA-N	441.871	3.770	5	40	IHBB	
Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)c(C)c1	24454395	IQVYZLVKWNGLMT-UHFFFAOYSA-N	433.468	3.527	5	40	IHBB	
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cc1	72284598	PYFWXKMVHSLFOY-GOSISDBHSA-N	426.498	3.694	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260512478	WTSJGPLICLSYDO-VQIMIIECSA-N	433.530	3.634	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408679837	FKCZSWBDBKWNTB-RTBURBONSA-N	441.871	3.981	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	408728442	MNBQNXKSADPHCH-FGEXJBCWSA-N	438.439	3.735	5	40	IHBB	
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2ccc(F)cc2)cc1=O	9816044	JIIYHZGLMFEIEB-UHFFFAOYSA-N	443.456	3.835	5	40	IHBB	
CN(C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	11614623	LEJVNYZQYNDHJN-OAQYLSRUSA-N	443.459	3.961	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	12784827	DDBKXRPFHMCNBT-UHFFFAOYSA-N	433.515	3.562	5	40	IHBB	
Cc1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1C(=O)O	17094379	YGEKVIMQDGMWJY-UHFFFAOYSA-N	425.422	3.988	5	40	IHBB	
O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(Cl)c(C(F)(F)F)c1	21274762	AMOIOXSIUOUQMK-UHFFFAOYSA-N	432.786	3.722	5	40	IHBB	
Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	22393031	HXVIUMFFESZBIX-UHFFFAOYSA-N	449.485	3.938	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	101094272	PPRKBCRKRWLLLW-OYUDYFSCSA-N	430.420	3.847	5	40	IHBB	
COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1	408632264	IFUYPBLVANJLGB-REZTVBANSA-N	442.453	3.923	5	40	IHBB	
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409206107	HRIBPFMOEXKREO-WOJGMQOQSA-N	446.419	3.884	5	40	IHBB	
COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1[N+](=O)[O-]	2502997	MJJYJBCGPXBNIA-OAQYLSRUSA-N	425.466	3.919	5	40	IHBB	
CCN(CC)CCCn1c(S)nnc1-c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1	2793520	RDTJWUBGPQCFRJ-UHFFFAOYSA-N	443.577	3.736	5	40	IHBB	
COC(=O)c1ccccc1S(=O)(=O)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21	4108402	OVICVWWKZCLQPQ-UHFFFAOYSA-N	440.433	3.883	5	40	IHBB	aggregator
C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1	21941038	HXTKFJPLLWFTCD-HNNXBMFYSA-N	429.448	3.538	5	40	IHBB	
CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	106740387	LVCRXTGELKWORL-WQRHYEAKSA-N	442.449	3.773	5	40	IHBB	
COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	224999927	VHLLVXYVPKURFM-UHFFFAOYSA-N	442.449	3.755	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408570123	ZLLOQTNSQCHJIC-VPHKFGTKSA-N	447.466	3.927	5	40	IHBB	
COc1ccccc1-n1c(SCC(=O)Nc2cc(C)on2)nc2cc([N+](=O)[O-])ccc21	9546197	MUZPBAJTXYXMTG-UHFFFAOYSA-N	439.453	3.970	5	40	IHBB	
O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	16431210	XXJIUMVFRZPWPS-UHFFFAOYSA-N	437.846	3.893	5	40	IHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1	32966880	YAZMVBSCACDUMQ-GOSISDBHSA-N	425.485	3.743	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260511882	SUHLOCIZTLDTMC-UZLBHIALSA-N	433.530	3.634	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408686569	RXYGBPJGYBKVIA-HDICACEKSA-N	439.855	3.757	5	40	IHBB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O	409202515	RLGUMCMXSMUIAV-JYRVWZFOSA-N	443.275	3.737	5	40	IHBB	
C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	2636230	AYEVHBGUORVMSL-JTQLQIEISA-N	432.845	3.951	5	40	IHBB	
COC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	9506975	BFMTYRDQNWAKNQ-NSHDSACASA-N	448.328	3.827	5	40	IHBB	
Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C	218364415	IUEKTIRTDGPOPC-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222532282	IUODAHVBYDEHOV-INIZCTEOSA-N	425.894	3.740	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(-n4nnc5ccccc54)c([N+](=O)[O-])c3)o2)cc1	2370392	UIYYKFLMCOCEIT-UHFFFAOYSA-N	429.352	3.954	5	40	IHBB	
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	4121294	MVZVUJNOGWQJBU-UHFFFAOYSA-N	430.892	3.949	5	40	IHBB	
COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1	21709559	BYTPPRBSNXYCKR-OAQYLSRUSA-N	443.500	3.995	5	40	IHBB	
Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	40034419	WXYVADWWEGIINU-JTQLQIEISA-N	449.876	3.598	5	40	IHBB	
CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1	220396450	AGOQXIHTIBNKQQ-QFBILLFUSA-N	433.530	3.634	5	40	IHBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225644787	SUPGPICOCHSPRA-OXJNMPFZSA-N	429.492	3.999	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	229856916	AGYXVVSRSPFRSQ-WOZUAGRISA-N	445.475	3.725	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1	408705354	CWBOHUAQSBCGHU-UHFFFAOYSA-N	429.857	3.572	5	40	IHBB	
O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1cccc([N+](=O)[O-])c1	409389012	FZPGYMWXZDURQE-UHFFFAOYSA-N	445.428	3.552	5	40	IHBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(I)cc1	805418	QCBSGEHROFGJDQ-UHFFFAOYSA-N	438.630	3.654	5	40	IHBB	
COc1cc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c([N+](=O)[O-])cc1OC	9426477	OIBXOGHXYYXFFK-UHFFFAOYSA-N	428.470	3.891	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F	12942198	BTOPJNSZPXURRM-UHFFFAOYSA-N	449.439	3.659	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	20489146	SHIFTNAPUOZGJS-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
CCOc1ccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c([N+](=O)[O-])c1	21865787	GOZLJAIWNREQFN-UHFFFAOYSA-N	438.223	3.535	5	40	IHBB	
CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222810027	JEOSCQQLSNUNRV-OAQYLSRUSA-N	441.509	3.609	5	40	IHBB	
CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl	225092163	PPXBUDJRROSUBJ-UHFFFAOYSA-N	426.878	3.949	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O	409173529	JJKBTKWSMUCCMX-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409383997	ULBMTQAAIADJDR-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O	677521	SCQGVLSYYJMEGP-NSIKDUERSA-N	446.799	3.535	5	40	IHBB	
COCCN(CC(=O)N1CCc2ccccc21)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	2635386	KZWJODSXWSDYCN-UHFFFAOYSA-N	438.509	3.760	5	40	IHBB	
COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1	9209927	WJWDXWPFSSJJII-QDSKXPNFSA-N	439.512	3.910	5	40	IHBB	
C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	16097101	HGDZRKODSMPPPW-OAHLLOKOSA-N	425.466	3.887	5	40	IHBB	
O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17100217	XLCBGXDAEQPYCQ-UHFFFAOYSA-N	436.493	3.711	5	40	IHBB	
O=C(c1cc(Br)c[nH]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	25378524	BZXQVMRHZNLAAI-UHFFFAOYSA-N	447.211	3.667	5	40	IHBB	
CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H](Cc1ccccn1)C(C)(C)C	72306465	FIWISTHXKRENGF-HXUWFJFHSA-N	440.500	3.794	5	40	IHBB	
CSc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	222374878	TYPDNHWUNXPKCF-UHFFFAOYSA-N	437.543	3.810	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O	222374970	RHOUYPBEENYDQK-UHFFFAOYSA-N	443.884	3.881	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]	408666018	NFJANNMXVGCCDR-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O	8875165	BITXYBQQEMEYPV-JDAJCMJVSA-N	446.437	3.851	5	40	IHBB	
COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	10795880	FIYUHHMCMLWPHL-BIPYJSMBSA-N	434.832	3.849	5	40	IHBB	
Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1	12508147	PDMAIMUFCVBEJJ-UHFFFAOYSA-N	427.438	3.662	5	40	IHBB	
Cc1cccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)c1	32204080	KYYQNGFJCLSJLP-UHFFFAOYSA-N	432.465	3.764	5	40	IHBB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	35529626	LXBPRGBFEOMIHY-AEFFLSMTSA-N	444.944	3.879	5	40	IHBB	
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220385497	CKQFRLWVPZSSQO-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
CC[C@@H](C)N1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	8739772	LAUHQKWVWDBCBB-ZTWLPKFNSA-N	432.480	3.560	5	40	IHBB	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1	12694476	WAVJUJDXQQXYMM-UHFFFAOYSA-N	432.408	3.755	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCc2cc(F)cc3cccnc23)c([N+](=O)[O-])c1	31606439	WDDCAWVPUCETGJ-UHFFFAOYSA-N	433.461	3.892	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2)cc1	408570561	LJRHXDPAEFWPGN-GLWCMYJFSA-N	429.476	3.834	5	40	IHBB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	409199051	AWEOWOACBUGIIB-MFVBVHDHSA-N	429.454	3.764	5	40	IHBB	
CN1CCN(c2ccc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)cc2)CC1	1616025057	DIYRSAACSAGXKB-UHFFFAOYSA-N	448.473	3.964	5	40	IHBB	
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1	2255202	GEWDTUTYSNNSGX-GOSISDBHSA-N	441.491	3.530	5	40	IHBB	
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl	20154245	OJXHTGYLIOACMO-UHFFFAOYSA-N	439.697	3.673	5	40	IHBB	
O=c1nc2n(c3[nH]ncc13)[C@H](c1ccccc1)[C@H](Sc1ccc([N+](=O)[O-])cc1)CS2	32594523	BLPPGPYKUIPODE-IAGOWNOFSA-N	437.506	3.884	5	40	IHBB	
CC1=NN(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)[C@@](O)(C(F)F)C1	33806771	GZQJYEWNHNCSLN-KRWDZBQOSA-N	429.763	3.596	5	40	IHBB	
O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1)OCc1ccccc1	408736979	KMHYOASOUYBSON-OAQYLSRUSA-N	425.485	3.881	5	40	IHBB	
Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3C[C@@H]2CCCO2)cc1	2256623	KASUJASNQXAQSK-SFHVURJKSA-N	425.492	3.830	5	40	IHBB	
CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1	6843882	QCAUXWVKDAQZRP-UHFFFAOYSA-N	427.486	3.596	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c(C)c1	9668657	KDMCVSMGGUAFTL-UHFFFAOYSA-N	445.541	3.868	5	40	IHBB	
COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1[N+](=O)[O-]	13940127	MFJRNCFXAIVDGI-RUZDIDTESA-N	446.459	3.919	5	40	IHBB	
COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	89618767	MGNYIZQGXNUSCJ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CC1(C)C[C@@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)OC(C)(C)OC2=O	101333844	SFVZXKJJWUYETE-ZWWNWMABSA-N	428.485	3.747	5	40	IHBB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])c(OC)c1	408550999	GPCFNJZWCGQBSQ-UHFFFAOYSA-N	427.486	3.536	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1[N+](=O)[O-]	409179244	QRSINZFEXDDNSR-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
CCOc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	57470926	OAOWXNJCJLXWML-KRWDZBQOSA-N	449.511	3.691	5	40	IHBB	
O=C(CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1	408661008	CJACIEOFANMIPF-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
COC(=O)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@H](c2ccccc2[N+](=O)[O-])[C@H]1C(=O)OC	4551877	CKXDGJUGYNDOKK-SMOSDQRPSA-N	440.408	3.519	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12916440	RVUMGYYZYOIYBF-SFHVURJKSA-N	437.905	3.739	5	40	IHBB	
O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	409412276	DVNHGRPSNSFPIC-UHFFFAOYSA-N	430.631	3.919	5	40	IHBB	
CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC	408567795	RISFEVHOJAEPTN-UCIDMZFESA-N	437.496	3.539	5	40	IHBB	
CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1	408736375	BFZUQJJQFVJZFI-QFIPXVFZSA-N	431.492	3.590	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	409329746	HZFCPGCOPIRQNA-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-]	9961160	ITMMHXHCJYDNKE-LLVKDONJSA-N	444.918	3.553	5	40	IHBB	
Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	10812403	QATZMLPRNGXXOZ-UHFFFAOYSA-N	427.844	3.863	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12	12491083	ZAQUIIINNAVJLT-UHFFFAOYSA-N	444.498	3.603	5	40	IHBB	
CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc21	12561995	WBTFPWBKTGZGFS-LLVKDONJSA-N	436.390	3.962	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1C	12892042	NHCCNPHNLDBEQZ-UHFFFAOYSA-N	428.514	3.552	5	40	IHBB	
C[C@@H]1CCCN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)C1	55393755	SGYDCJDFKYREQH-LJQANCHMSA-N	442.563	3.723	5	40	IHBB	
CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	4121232	OWBXIWDNASXEAK-UHFFFAOYSA-N	430.892	3.949	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(OCC(C)C)c(OC)c1	9124980	WVFDKLXXYXEVLY-AWEZNQCLSA-N	446.456	3.831	5	40	IHBB	
CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)Cc1cc([N+](=O)[O-])ccc1Cl	26924366	DENJMVZJQCNYTM-UHFFFAOYSA-N	449.895	3.801	5	40	IHBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O	33850702	XNIVVIAZFBWMSW-CVUDBVLYSA-N	441.440	3.600	5	40	IHBB	
CN1CCN(c2ccc(C(=O)NC34CC5C[C@](C)(C3)C[C@](C)(C5)C4)cc2[N+](=O)[O-])CC1	100310300	USSACIZHIQBDOP-ZKNFIGSISA-N	426.561	3.825	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222520043	JDOBXDMQIVWOEC-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	2797151	BEMKQRIVPJRSGA-UHFFFAOYSA-N	446.395	3.698	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]	9467416	JCXKXWZVAAUOBH-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COc1ccc(Cl)c2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12	12345041	PTVSBVDRKNOIBH-UHFFFAOYSA-N	432.889	3.829	5	40	IHBB	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	12528559	NOELKTDVAWOCQA-UHFFFAOYSA-N	432.427	3.574	5	40	IHBB	
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1csc([N+](=O)[O-])c1	40140654	HJXAGWCHHOOEKL-UHFFFAOYSA-N	425.422	3.567	5	40	IHBB	
O=C(O)c1cc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)ccc1Cl	3146533	DRRZGUHVUWHHKS-UHFFFAOYSA-N	441.739	3.808	5	40	IHBB	
COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6906824	XUNKUEXQPFNDEL-UHFFFAOYSA-N	445.453	3.892	5	40	IHBB	
Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cnccn2)cc1	16789566	NNNQPFVXBWAVDG-UHFFFAOYSA-N	432.465	3.916	5	40	IHBB	
C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1C(=O)c1ccccc1	28207032	ILJFXBDYJROSCA-HNNXBMFYSA-N	437.477	3.987	5	40	IHBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225498107	BSQQJJXROYQCPW-QHCPKHFHSA-N	431.492	3.523	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1	409255416	KEKJMVIIHJHLAD-UHFFFAOYSA-N	443.456	3.876	5	40	IHBB	
CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	786844	AMECWJIZVDOYSK-UHFFFAOYSA-N	442.501	3.558	5	40	IHBB	
O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@H](O)COc1ccc(Cl)cc1Cl	12735723	DFLAAKLOXMDVQU-JTQLQIEISA-N	444.658	3.705	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O	13714763	AZZNJVKYNASAOE-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1c[nH]c2ccccc12	19431419	ZRXFMSJLDOEBAC-ZDUSSCGKSA-N	437.408	3.579	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1	36390275	MYVOQYYQDHJDSU-NHCUHLMSSA-N	444.557	3.849	5	40	IHBB	
CCOc1ccc(CCNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OCC	72333697	WYSJKSHFPUAKRX-UHFFFAOYSA-N	444.513	3.720	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	101091606	KQVZEZIPDVBIAL-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	409000383	WCALBJLZTRMOME-QRWLVFNGSA-N	428.441	3.662	5	40	IHBB	
C[C@@H](NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1	828596	SCGYVEFHWKCGPE-OPAMFIHVSA-N	443.459	3.680	5	40	IHBB	
CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O	5944722	TVQKATGPEHKALZ-CXUHLZMHSA-N	443.437	3.770	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	9507072	GQSUAWOGUIIESF-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
COc1ccc(CCN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1OC	8861208	GEAXMGMRCDNZAJ-UHFFFAOYSA-N	448.419	3.584	5	40	IHBB	
Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c([N+](=O)[O-])cc1C	9403371	WWHHJPRBGOKMGD-UHFFFAOYSA-N	432.893	3.568	5	40	IHBB	
O=[N+]([O-])c1ccc(NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1	12042495	UTFSJLFQYLOJFS-UHFFFAOYSA-N	441.636	3.769	5	40	IHBB	
Cc1cccc2c(=O)c3c(O)cc(OC(=O)CNC(=O)OCc4ccccc4)cc3oc12	13577141	LBYXNIWATRUNJX-UHFFFAOYSA-N	433.416	3.792	5	40	IHBB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1	22389995	TXGFZMMRAYFVAO-UHFFFAOYSA-N	435.458	3.629	5	40	IHBB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc12	32810290	KLARWULQLVBKPR-UHFFFAOYSA-N	428.397	3.852	5	40	IHBB	
Cc1cccc(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)c1C	58160423	ZXIIKEWTJFPAGH-UHFFFAOYSA-N	447.333	3.735	5	40	IHBB	
C[C@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	103491595	VOHZCDYWDYHEFK-WLNNIECUSA-N	444.509	3.917	5	40	IHBB	
CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)CC1	220000264	ICHPLJASUYORPG-UHFFFAOYSA-N	437.905	3.921	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O	222372402	VVEMVZLQZOMFRF-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
CCc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	222758120	AKWQCOSPLJHTNG-MRXNPFEDSA-N	433.530	3.581	5	40	IHBB	
COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1	2252189	SUWYIZDFHKMBCA-UHFFFAOYSA-N	429.480	3.637	5	40	IHBB	
O=[N+]([O-])c1cccc([C@@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccccc2)c1	15240299	BBJPPDOLVXDEKW-XZOQPEGZSA-N	435.505	3.897	5	40	IHBB	
N[C@@H](CC(=O)O)[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1	21302092	UWHYWQPVYHZUQY-UPVQGACJSA-N	446.459	3.836	5	40	IHBB	
O=C(c1ccccc1OC(F)F)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1	40051260	OVNOSVAQVDMRDT-UHFFFAOYSA-N	428.395	3.707	5	40	IHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cccc(N3CCOC3=O)c2)CC1	40150128	ZRMFOUSXTQZUQQ-UHFFFAOYSA-N	438.484	3.718	5	40	IHBB	
CCN1CCC[C@@H](Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1	48325716	GRZWTUNWXKBIEY-QGZVFWFLSA-N	432.546	3.706	5	40	IHBB	
O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	58367970	OTSVUKDDAQZWOJ-LLVKDONJSA-N	426.231	3.710	5	40	IHBB	
Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	108052375	IFRCKBJSXDCVMY-JTQLQIEISA-N	432.285	3.516	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F	409340688	AIJIYJIQSONEMD-NTUHNPAUSA-N	437.355	3.687	5	40	IHBB	
COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl	224940414	DTJOKPMTKXHLCH-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	409171396	ALMBBFHDSLFMHP-MHWRWJLKSA-N	446.257	3.849	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	9434563	XDMLNSCEANNXNH-UHFFFAOYSA-N	441.893	3.540	5	40	IHBB	
O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2scc(-c3ccccc3)n12	9561989	FPNXGJPLMLLNIO-UHFFFAOYSA-N	447.520	3.653	5	40	IHBB	
C[C@@H](C(=O)N[C@H](Cc1ccccc1)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12951214	CEMDWHRMETWFOW-OXJNMPFZSA-N	443.459	3.680	5	40	IHBB	
O=C(O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)s1	13113380	MOKFIOJEBACJGW-XFXZXTDPSA-N	442.902	3.719	5	40	IHBB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1	14082999	OBNDKOQUEXAUBV-UHFFFAOYSA-N	433.877	3.783	5	40	IHBB	
CCCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21	17083384	XGVLUFWTMXQEJW-LJQANCHMSA-N	433.258	3.575	5	40	IHBB	
CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	57613767	OKKZBTWSGUUVFP-QFIPXVFZSA-N	435.532	3.683	5	40	IHBB	
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H](c1ccc(F)cc1)c1cccs1	58246274	NFJDVUOUCNDOGZ-HXUWFJFHSA-N	437.456	3.960	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1F	408571958	QBPOLNFWVSFUHL-JSAFGSNCSA-N	447.466	3.973	5	40	IHBB	
CCn1ncc(-c2ccnc3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4Cl)nn23)c1C	2798094	CNNSKGPBBZKWEF-UHFFFAOYSA-N	425.836	3.735	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1[N+](=O)[O-]	8642088	ICPSGCKHKCBCJP-UHFFFAOYSA-N	444.538	3.821	5	40	IHBB	
COc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1OC	9404486	WHCYJHQNGMYVMN-UHFFFAOYSA-N	426.454	3.797	5	40	IHBB	
CCCCNC(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	9819069	GJOSSPIYUXWYKZ-UHFFFAOYSA-N	433.848	3.574	5	40	IHBB	
O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2Cl)c(S(=O)(=O)N2CCOCC2)c1	15208932	GJPHUCGHXFWBDJ-UHFFFAOYSA-N	446.312	3.535	5	40	IHBB	
Cc1ccc(-c2csc3ncn(C[C@@H](O)COc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1	32854224	QRCOWNZEKYRHER-QGZVFWFLSA-N	437.477	3.782	5	40	IHBB	
C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220412702	AGMRJTUQBVOROQ-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222504540	PRFCWIUFKLRECT-LAUBAEHRSA-N	441.528	3.868	5	40	IHBB	
CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	223591521	RNFUFBYVUNPEDL-UHFFFAOYSA-N	430.486	3.763	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2cccc(F)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408569327	VPYJVOFVICINGI-NIDLKEISSA-N	447.466	3.927	5	40	IHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc([N+](=O)[O-])cc1	2072176	XOVMEAGDHLUKJE-UHFFFAOYSA-N	428.430	3.512	5	40	IHBB	
CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1	8685306	GRAYZGBSHBDAFN-UHFFFAOYSA-N	428.470	3.692	5	40	IHBB	
O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	8994185	QHIVKBRVVQMSNR-DYESRHJHSA-N	440.843	3.883	5	40	IHBB	
CCOc1ccc(NC(=O)Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1	9327870	ARNFASJKOFKNNW-UHFFFAOYSA-N	427.486	3.596	5	40	IHBB	
COc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OCc1c(F)cccc1Cl	13482063	UCCWGEBVHZOMIN-VURMDHGXSA-N	447.806	3.934	5	40	IHBB	
COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1	19631098	FTNXHSQJMKXEMO-UHFFFAOYSA-N	440.275	3.501	5	40	IHBB	
COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-]	57317278	GROAWXBUWUHUNC-UHFFFAOYSA-N	447.772	3.776	5	40	IHBB	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1[N+](=O)[O-]	101554631	FLSSZSSRJCUMHM-NYYJTOMGSA-N	437.290	3.810	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408682138	IZONQLBWPARQLE-IAGOWNOFSA-N	441.871	3.981	5	40	IHBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1	409099908	RKGKSYYRLPYTLZ-UNOMPAQXSA-N	446.419	3.695	5	40	IHBB	
Cc1ccc(S[C@]2(CN3CCOCC3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	16310866	CSVMMOHSTIRHJE-JOCHJYFZSA-N	428.510	3.650	5	40	IHBB	
O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccccc1	19644465	ORSVHILCTRBYNH-UHFFFAOYSA-N	446.463	3.936	5	40	IHBB	
CSCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	19923933	OXBSLCKTGKYGOL-LJQANCHMSA-N	434.514	3.687	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223773004	GBUSWMGLCJUWQV-OAHLLOKOSA-N	433.505	3.521	5	40	IHBB	
CCN(CC)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)n(C)c(=O)n2C	408528023	DVYWDCWYIBZYFV-UHFFFAOYSA-N	431.880	3.537	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1	9117673	PUFTWHYBFNHWFO-OAHLLOKOSA-N	447.513	3.917	5	40	IHBB	
COc1cc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-]	9425398	AEGJDPNWVGZPFB-UHFFFAOYSA-N	434.832	3.710	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12	17045146	POVXLQDHLRLHHM-GQOCTPOGSA-N	446.438	3.505	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1	19160742	KJMJHWVDIZYAOK-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-]	32112024	HUZBMRJVPYPLHA-UHFFFAOYSA-N	430.486	3.715	5	40	IHBB	
O=[N+]([O-])c1cccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)c1	33870642	WGABDTZZAFTXIF-UHFFFAOYSA-N	448.508	3.726	5	40	IHBB	
CCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	95681984	SRAGAQRYYCSREV-UHFFFAOYSA-N	429.341	3.970	5	40	IHBB	
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220385396	KETNEGSQJHLBFR-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1	8722319	KHKNIJAPCFEGBA-MRXNPFEDSA-N	432.458	3.608	5	40	IHBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1	14413176	OIHDXVDQUPBWJB-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408684419	NGLYNGJHGHCLCW-AEFFLSMTSA-N	437.427	3.633	5	40	IHBB	
O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)Nc1ccc(F)cc1	9369118	OFXGYYJWALVQOO-UHFFFAOYSA-N	433.446	3.569	5	40	IHBB	
CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1	9392208	POKCUOYBTZMCLF-LJQANCHMSA-N	444.513	3.690	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O	10324790	WQEZSQUMDKBZIG-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)c(C)c1	13424590	JDJKYRIXWYKHII-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	18059658	MXBNLMMPMIDQOU-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(OC)cc1	21991826	ZKXQHMJPLFTLNW-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
COc1ccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c([N+](=O)[O-])c1	22087412	RSHSIGMZVSGOPB-UHFFFAOYSA-N	430.486	3.849	5	40	IHBB	
Cc1c(Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)cccc1[N+](=O)[O-]	40116958	GIWVHBSFRFYAHD-UHFFFAOYSA-N	429.358	3.866	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	100985356	FNORUDMBNCDKKE-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	220392859	RKHOOBZKGOZSKK-SJORKVTESA-N	433.530	3.552	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc(F)c2)cc1	408565717	LVNOMVGBZADTAT-JSAFGSNCSA-N	447.466	3.973	5	40	IHBB	
Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	11566331	WCGUNCGGEGHYOT-UHFFFAOYSA-N	444.399	3.744	5	40	IHBB	
O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1	13002104	NXJGYWPXJVZMBX-UHFFFAOYSA-N	435.870	3.716	5	40	IHBB	
O=c1nc2n(c3[nH]ncc13)[C@@H](c1ccccc1)[C@@H](Sc1ccc([N+](=O)[O-])cc1)CS2	32594526	BLPPGPYKUIPODE-IRXDYDNUSA-N	437.506	3.884	5	40	IHBB	
COC(=O)C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1	32821078	QVBWJENQTJNFLS-LJQANCHMSA-N	425.485	3.540	5	40	IHBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-]	225524963	VTCNYEHBVXTGSB-XMMPIXPASA-N	445.519	3.832	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408684440	NIBKBCWMMODZPL-IAGOWNOFSA-N	439.855	3.757	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408686001	QVLYREFXBLNRAD-KDURUIRLSA-N	441.871	3.981	5	40	IHBB	
Cc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1	886822	FBQFAOAKRSZASO-UHFFFAOYSA-N	425.514	3.575	5	40	IHBB	
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccccc1	9327553	MMJMBFNDAZBDEG-CQSZACIVSA-N	439.497	3.672	5	40	IHBB	
O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21	9569250	HKNJVWZVVMDXND-UHFFFAOYSA-N	427.438	3.582	5	40	IHBB	
C[C@@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)co1	9716504	LSGURSRVEJFRJP-OAHLLOKOSA-N	435.436	3.517	5	40	IHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(N2CCCC2=O)cc1	12523001	KAVBBWPCTYRIDM-UHFFFAOYSA-N	425.488	3.598	5	40	IHBB	
COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	18130273	ZGJQSPINOPAOTC-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222543217	OUWJFYDMEGYSOU-FXAWDEMLSA-N	447.557	3.942	5	40	IHBB	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1	3418659	SYCRUWQKULPPOY-FQEVSTJZSA-N	441.440	3.929	5	40	IHBB	
O=C(c1cccc(F)c1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9721002	OVZSYUBKZHACCO-UHFFFAOYSA-N	442.325	3.623	5	40	IHBB	
N[C@H](CC(=O)O)[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1	21301728	UWHYWQPVYHZUQY-VWNXMTODSA-N	446.459	3.836	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	58161751	JTPRJOXLKOLADU-AWEZNQCLSA-N	444.513	3.598	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c([N+](=O)[O-])c1	408575202	SNYDOBWHAJYONQ-UHFFFAOYSA-N	441.484	3.521	5	40	IHBB	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1	408666369	YZTGZMYIDLOHGZ-UHFFFAOYSA-N	449.847	3.548	5	40	IHBB	
Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-]	2652505	GLGTVDXGQNHCFM-UHFFFAOYSA-N	433.420	3.814	5	40	IHBB	
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(C3CC3)C(=S)N=C2O)[C@@H]1c1ccccc1	8814557	UONGBQDGZLDGOL-AVRDEDQJSA-N	436.493	3.561	5	40	IHBB	
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(=O)OC)cc2)cc1	408574511	UZWPWGMWJRWSIU-LJQANCHMSA-N	442.497	3.871	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1	3294483	RHRGZELGIJTQHI-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
COc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-]	9128836	KSIYNQOLWWMXFP-UHFFFAOYSA-N	447.513	3.809	5	40	IHBB	
CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1	12925550	BYAZNXRCQMFXST-IBGZPJMESA-N	440.452	3.910	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223639963	NUQDEAYCJNKJJU-KRWDZBQOSA-N	429.542	3.690	5	40	IHBB	
Cc1c(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	224411641	BKUWVBWERCPWDH-UHFFFAOYSA-N	439.493	3.976	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	409177070	CCSVHSWDNKJJIV-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1Br	14255136	AWDBIWMLRCBIJT-UHFFFAOYSA-N	436.081	3.921	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	15437615	IPMITBYHXKOCJK-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	20154346	XJUQBEGOEKABJL-UHFFFAOYSA-N	439.299	3.637	5	40	IHBB	
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	20410897	RXZXJALTWJCCQD-UHFFFAOYSA-N	428.514	3.682	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12	36331896	FRFBDFBDAODCNX-OPJGWUQDSA-N	427.460	3.971	5	40	IHBB	
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-]	1311863	ILZLYWFNUBKALX-UHFFFAOYSA-N	440.500	3.550	5	40	IHBB	
COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CC(C)C)cc(OC)c1OC	2328136	AOVSOIROQBUTQE-UHFFFAOYSA-N	449.507	3.597	5	40	IHBB	
C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cccnc1Cl	10723323	AWHCMNCLYOGBRX-AWEZNQCLSA-N	435.867	3.774	5	40	IHBB	
O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	20528678	PNLHREZJFPCJEP-UHFFFAOYSA-N	435.469	3.614	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	22510170	NNIUFIPPKXUQEJ-UHFFFAOYSA-N	432.845	3.696	5	40	IHBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	101105891	TVNKGLFFGUBVSO-HBMCJLEFSA-N	433.395	3.785	5	40	IHBB	
Cc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)c1	102740449	KVWRTGLPXOMTMP-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224354616	COZMESQWLDULLK-FQEVSTJZSA-N	447.532	3.911	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408570120	ZLLOQTNSQCHJIC-HFRGRHLUSA-N	447.466	3.927	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408684427	NHPCLFVNHZCURG-KDURUIRLSA-N	439.855	3.757	5	40	IHBB	
C[C@@H](c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	2731377	OKPDDASGVSSKJV-NSHDSACASA-N	430.881	3.894	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1	16606857	YAIHPPWNUIYDMH-KRWDZBQOSA-N	432.889	3.688	5	40	IHBB	
O=c1cc[nH]c2cc(Oc3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])ccc12	32926987	OGJHGKINKHUBHD-UHFFFAOYSA-N	443.481	3.793	5	40	IHBB	
CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223483348	GTDZHQAEWXZFLE-LAUBAEHRSA-N	447.557	3.942	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc(F)c2)cc1	408565720	LVNOMVGBZADTAT-LPVCTFIXSA-N	447.466	3.973	5	40	IHBB	
CC(=O)Nc1cccc(-c2nc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n[nH]2)c1	408674740	GVGRDAROXKPVLS-UHFFFAOYSA-N	431.861	3.967	5	40	IHBB	
CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(OC)cc1	409197073	VGQIQGWZVLYGDY-MRCUWXFGSA-N	442.453	3.882	5	40	IHBB	
Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1	23731902	HNLGHKDYWRWBFT-UHFFFAOYSA-N	427.892	3.964	5	40	IHBB	
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCn3cccn3)c2)cc1OC	36396915	GRPWGRAYZCNSCT-UHFFFAOYSA-N	426.429	3.530	5	40	IHBB	
CCOc1ccc(-c2nc(CC(=O)N[C@@H]3CCc4ncc([N+](=O)[O-])cc4C3)cs2)cc1	95467901	OKDZRHAXLYHEHZ-MRXNPFEDSA-N	438.509	3.728	5	40	IHBB	
COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1	224538629	OOFAVCFPVJFHDQ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1ccc(F)cc1	9369120	FOBWRIMYUVUQMG-UHFFFAOYSA-N	433.446	3.569	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1	9580728	JJFZTYSOWUZOFU-UHFFFAOYSA-N	445.453	3.664	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(Sc2nc3cc(F)c(F)cc3[nH]2)c([N+](=O)[O-])c1	12736780	LNCSMKBDCCXQLT-UHFFFAOYSA-N	442.469	3.931	5	40	IHBB	
Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1	14122106	UKMZKCPURMDNGN-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1	16031991	ALPYWRNRHTUSGX-HNNXBMFYSA-N	425.869	3.878	5	40	IHBB	
CCOc1cc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC	19472737	DMPUQKKWJDXHHA-UHFFFAOYSA-N	442.346	3.816	5	40	IHBB	
COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1	21709561	BYTPPRBSNXYCKR-NRFANRHFSA-N	443.500	3.995	5	40	IHBB	
Cc1nc2n(c(=O)c1CC[N+]1([O-])CCC(c3noc4cc(F)ccc34)CC1)CCCC2	65748702	CQQKMRDMDXQQRT-UHFFFAOYSA-N	426.492	3.603	5	40	IHBB	in-vitro
CN1C[C@H](c2ccccc2OCc2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408563971	BWKWHMGIXIEAQH-RZPHLTDDSA-N	447.466	3.927	5	40	IHBB	
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1[N+](=O)[O-]	9850924	MLGFASBTUCQOQE-UHFFFAOYSA-N	430.464	3.810	5	40	IHBB	
O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc([N+](=O)[O-])cc1Cl	10186616	ZEUQVRKVBPUWKB-UHFFFAOYSA-N	439.859	3.794	5	40	IHBB	
O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1	18046865	GWESTQZINKTOOS-GOSISDBHSA-N	429.473	3.752	5	40	IHBB	
O=C1/C(=C/Nc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2	38186251	JPMFYJGRVOTITM-LDADJPATSA-N	443.415	3.959	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260512978	YYMWAMBVIBFTAU-XLIONFOSSA-N	447.557	3.942	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3	6407527	MKKAAAHUIONZMS-UHFFFAOYSA-N	430.511	3.811	5	40	IHBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1	9244929	IXUOMCDFKSUUEL-UHFFFAOYSA-N	432.820	3.714	5	40	IHBB	
CCOC(=O)c1ccc(S(=O)(=O)Nc2c(OC)ccc3nc4ccccc4nc23)cc1	9716598	QEBXBMSWLMVSEM-UHFFFAOYSA-N	437.477	3.769	5	40	IHBB	
COc1cccc(-c2c[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)c1	79105662	MTXAESZXDFILHW-LJQANCHMSA-N	442.497	3.828	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	409177003	AJXZZTNEFNJVMS-UHFFFAOYSA-N	441.465	3.585	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl	3234701	NKOCDAJIMJKBTF-JTQLQIEISA-N	443.239	3.859	5	40	IHBB	
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1	12137641	HSUKLIDPVHJGDD-UHFFFAOYSA-N	447.513	3.566	5	40	IHBB	
COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2c1	15136394	NUYJBSZWYKQKOW-UHFFFAOYSA-N	441.871	3.798	5	40	IHBB	
CCOc1ccc(CCNC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC	16695750	ZIQNXEOMODZWDA-KRWDZBQOSA-N	429.517	3.744	5	40	IHBB	
CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	223338962	JQQGXWHCOICDCJ-NRFANRHFSA-N	447.557	3.581	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O	409182020	HOKPWRPAOPOSBE-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	9511935	JOHROTXBLQPDTG-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O	17097434	AKKYETCZXHWBDS-UHFFFAOYSA-N	431.404	3.965	5	40	IHBB	
O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cn2)n1C[C@@H]1CCCO1)CCC3	23611152	PRBGOAHFMRZJKQ-LBPRGKRZSA-N	430.511	3.580	5	40	IHBB	
CNc1cc2c(nn1)CC[N+](C(=O)CCc1ccsc1)(C(=O)CCc1ccsc1)C2	71924144	MFCHRVUMRPTKRA-UHFFFAOYSA-N	441.602	3.833	5	40	IHBB	
Cc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1	913829	QPNIXTVGMDYEDH-UHFFFAOYSA-N	441.509	3.878	5	40	IHBB	
Cc1cc(C)c(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCCCC4)c([N+](=O)[O-])c1	8742958	ADINMLSIFKIJFO-UHFFFAOYSA-N	441.513	3.676	5	40	IHBB	
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1	9440186	DQCPOBZAHLBLMF-AWEZNQCLSA-N	447.513	3.583	5	40	IHBB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1ccc([N+](=O)[O-])cc1	9465232	PHYOTRJTRDQYMP-QGZVFWFLSA-N	435.820	3.654	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)=O	106727765	VVOPENFBZFQAKP-ZDLGFXPLSA-N	428.422	3.765	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542816	YYMWAMBVIBFTAU-PXNSSMCTSA-N	447.557	3.942	5	40	IHBB	
Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	408606592	IWAPRCLWLNQCJO-FQEVSTJZSA-N	445.903	3.921	5	40	IHBB	
COc1c(Br)cc(Br)cc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1	409351086	ZGPPOSJWVXTCCH-IHWYPQMZSA-N	447.039	3.500	5	40	IHBB	
CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1cccc(OC)c1	2279243	PJSLXSHNGCJPEN-UHFFFAOYSA-N	429.480	3.501	5	40	IHBB	
COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)C(C)C	17096888	HOOXLWFHGUNLLE-UHFFFAOYSA-N	430.486	3.633	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Br	19631094	BPPVIPUIJJNARN-UHFFFAOYSA-N	440.275	3.501	5	40	IHBB	
COc1cc(/C=C/C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F	30014879	KEFCVQNMZSJJOU-MDZDMXLPSA-N	435.427	3.861	5	40	IHBB	
CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222541188	OMKAFLHRWXHKFE-HXUWFJFHSA-N	447.557	3.505	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O	409172297	BXSXEHHIJJARKM-LICLKQGHSA-N	441.465	3.895	5	40	IHBB	
C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2c(c1)OCCO2	9584677	AIABTZTXXAMCGQ-ZDUSSCGKSA-N	438.392	3.810	5	40	IHBB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	9891938	QUUKBZRWGDQBRS-UHFFFAOYSA-N	429.429	3.568	5	40	IHBB	
CS(=O)(=O)c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c([N+](=O)[O-])c1	12644577	HZNGISDQUHGNJN-UHFFFAOYSA-N	446.916	3.527	5	40	IHBB	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	89888089	FWDHYFCCAAPKEP-UHFFFAOYSA-N	447.513	3.809	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O	220396667	XHBUANQINCMHSV-XLIONFOSSA-N	447.557	3.961	5	40	IHBB	
Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1	9488082	UOWOUWKVQWWIQI-UHFFFAOYSA-N	427.877	3.903	5	40	IHBB	
COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br	12293817	BAWUPKPSTMPJKG-RMKNXTFCSA-N	436.287	3.892	5	40	IHBB	
COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCCC2)cc1	27583152	DQIWYUTZKRTDNQ-QFIPXVFZSA-N	427.501	3.716	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O	260512442	WQKSULSICQUVMJ-GOSISDBHSA-N	447.557	3.587	5	40	IHBB	
CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	6878378	ATCLMPRTZNPMRG-UHFFFAOYSA-N	443.485	3.525	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2)cc1	22258848	NWINABVHDPMGIU-AWEZNQCLSA-N	437.905	3.596	5	40	IHBB	
C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1C(=O)c1ccccc1	28207030	ILJFXBDYJROSCA-OAHLLOKOSA-N	437.477	3.987	5	40	IHBB	
CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	32829673	AXORJIHHEBTXPF-UHFFFAOYSA-N	439.390	3.602	5	40	IHBB	
CN1C(=O)[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2F)N=C(c2ccccc2)c2ccccc21	95929412	FTVKFSCPYUDRJV-OAQYLSRUSA-N	447.426	3.696	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)c(C)c1	101344644	UZMHWRCYDRIPMH-JTHBVZDNSA-N	440.459	3.994	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	222367987	AVACUYMXCROSGG-KRWDZBQOSA-N	433.530	3.635	5	40	IHBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	225068128	GEDLOFSSYCUGMV-UHFFFAOYSA-N	434.857	3.770	5	40	IHBB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c(C)c1	408550859	FVGWEHSJIQXTBN-KRWDZBQOSA-N	431.514	3.559	5	40	IHBB	
COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409195094	PCYVRPLQTURSDS-ATVHPVEESA-N	446.419	3.884	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	4017248	JHTIHHPLIRQMGQ-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
O=C1N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	9323615	YFLQOFUIKMJNCL-WUXMJOGZSA-N	438.621	3.814	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1	9714698	DRMOIEIFIVSFTF-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-]	17103041	QFLMXNVNNKKBIR-UHFFFAOYSA-N	439.291	3.586	5	40	IHBB	
COCCNc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1[N+](=O)[O-]	19421734	VPBBHLVAIZTENK-UHFFFAOYSA-N	426.425	3.733	5	40	IHBB	
N[C@H](CC(=O)O)[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1	21301734	UWHYWQPVYHZUQY-ISKFKSNPSA-N	446.459	3.836	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(I)cc2Cl)c1	95634836	MKLYHJUVEPVZMZ-UHFFFAOYSA-N	438.630	3.654	5	40	IHBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223992284	ZKENZQYLMVNTTM-NRFANRHFSA-N	441.528	3.870	5	40	IHBB	
CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl	225091976	VQIRZJQHFNDDIE-UHFFFAOYSA-N	426.878	3.949	5	40	IHBB	
CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	408684424	NGLYNGJHGHCLCW-SJLPKXTDSA-N	437.427	3.633	5	40	IHBB	
CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCC	409349101	UNAXOYCXTGQALV-WAYWQWQTSA-N	426.223	3.526	5	40	IHBB	
CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc12	3177413	CPFYVJYBDVIFLG-UHFFFAOYSA-N	427.369	3.699	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)n1	3510554	NUEHDKTXPURICJ-UHFFFAOYSA-N	437.364	3.612	5	40	IHBB	
CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)nn1	9627029	OUPBPOCQYIINAR-UHFFFAOYSA-N	446.872	3.751	5	40	IHBB	
Cc1ccc(C(=O)Nc2cc(-n3c(C)nc4ncccc4c3=O)ccc2F)cc1[N+](=O)[O-]	15881361	SPYALYKJEZIDQS-UHFFFAOYSA-N	433.399	3.697	5	40	IHBB	
Cc1ccccc1CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	29921338	HFQHJXCMPUXNFY-UHFFFAOYSA-N	425.532	3.808	5	40	IHBB	
C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57524838	VEMKRQBFTYJPMS-OAHLLOKOSA-N	439.903	3.946	5	40	IHBB	
CC(C)c1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	218247331	UIQOMPHAOCJFIL-UHFFFAOYSA-N	425.894	3.776	5	40	IHBB	
CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408685728	QEGOTGBRWRYOIB-OALUTQOASA-N	437.427	3.633	5	40	IHBB	
CCc1c(C)sc2nc(Sc3ccc([N+](=O)[O-])cn3)n(C[C@H]3CCCO3)c(=O)c12	12642949	CJBOPRINIOJIFC-CYBMUJFWSA-N	432.527	3.962	5	40	IHBB	
Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	14087648	GVIUXWIZZBXEKS-UHFFFAOYSA-N	433.877	3.687	5	40	IHBB	
O=C1CS[C@@H](c2cc([N+](=O)[O-])ccc2Cl)c2c(O)nn(C3CCSCC3)c2N1	96117874	IMXPOVYXPKIUQC-HNNXBMFYSA-N	440.934	3.993	5	40	IHBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223633010	PNLLPINRJQUNCG-HXUWFJFHSA-N	441.528	3.868	5	40	IHBB	
Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	408641788	MZKDMDWFGQKFMG-CYBMUJFWSA-N	432.274	3.966	5	40	IHBB	
O=C1c2ccccc2C(=O)N1CCN(C(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1	1511957	RNEOPICQVIVNDX-UHFFFAOYSA-N	433.395	3.677	5	40	IHBB	
O=c1c2c3nc4ccccc4nc3n(C[C@@H]3CCCO3)c2ncn1CCc1ccccc1	4327013	PYCZKPDOFIOPID-SFHVURJKSA-N	425.492	3.716	5	40	IHBB	
CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1	4966686	GOJGMMQSNKEQNY-UHFFFAOYSA-N	425.485	3.835	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1	8768241	DFOXDPLPYLSJHJ-LIRRHRJNSA-N	437.477	3.987	5	40	IHBB	
O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1	12772428	PQBLYJHLOFGGTB-INIZCTEOSA-N	441.440	3.612	5	40	IHBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1	19637713	MRCMWVRAZHQEBW-UHFFFAOYSA-N	443.322	3.681	5	40	IHBB	
Cc1ccccc1-n1c(C)nnc1Sc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-]	25062581	HEGMDJHTVXATIB-UHFFFAOYSA-N	447.542	3.630	5	40	IHBB	
O=C(NCCSCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	32341496	KUPUNOJIFPFXCD-UHFFFAOYSA-N	435.933	3.748	5	40	IHBB	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1	78985734	AAOWRSPNCDUAHK-JPQMIFPKSA-N	425.304	3.928	5	40	IHBB	
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	2619670	XIPNMKRXBINVKQ-UHFFFAOYSA-N	447.447	3.608	5	40	IHBB	
Cc1cc(C)n(CCc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C)n1	8996676	PVRUJFMNZNTWSH-UHFFFAOYSA-N	448.483	3.555	5	40	IHBB	
COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)cc1	14375821	JIPHOVVLKHFKRW-UHFFFAOYSA-N	440.481	3.816	5	40	IHBB	
CC(=O)Nc1ccc2c(COC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc(=O)oc2c1	49613073	VNJKPYZIGJRLLY-UHFFFAOYSA-N	437.408	3.591	5	40	IHBB	
COc1ccc(CSCC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-]	79053684	WRMWONSCYCRYNN-LJQANCHMSA-N	430.526	3.697	5	40	IHBB	
O=C(c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	100036038	WTXLNOWMVTWOHF-UHFFFAOYSA-N	431.100	3.857	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c(C)c1	35201813	LNSYRQUULDIQIA-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
CCOC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792115	AJKSIXZCFVECJC-UHFFFAOYSA-N	432.432	3.551	5	40	IHBB	biogenic
O=C1NC2(CCCC2)C(=O)N1CCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	25347531	ORGKOMRVWPQYLO-UHFFFAOYSA-N	434.802	3.934	5	40	IHBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)c(O)c(Br)c1	32116737	ZEYLMEFMIIBPBM-UHFFFAOYSA-N	446.051	3.843	5	40	IHBB	
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(NC(C)=O)cc1	408636604	AYZOPEMMLWMPRF-UHFFFAOYSA-N	425.470	3.807	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	8874885	KJVWYNKVGACABQ-HNNXBMFYSA-N	436.877	3.678	5	40	IHBB	
C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1	13614644	HKSHRQWKMJNVJL-QGZVFWFLSA-N	439.493	3.668	5	40	IHBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)C1	14360642	PDFZTIDPBCGJQE-HZPDHXFCSA-N	432.498	3.618	5	40	IHBB	
O=c1c2ccccc2nc(SCCOc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1	40127418	RKTWYHJDEITGAI-QGZVFWFLSA-N	427.482	3.655	5	40	IHBB	
COc1ccc(CSCC(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-]	79053692	WRMWONSCYCRYNN-IBGZPJMESA-N	430.526	3.697	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O	260836505	QCGQZZKNIKWNNL-MRXNPFEDSA-N	441.509	3.527	5	40	IHBB	
CCc1ccc(OCC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c(Br)c1	9805873	AGVAGOUYGIRARA-UHFFFAOYSA-N	438.303	3.812	5	40	IHBB	
CC[C@@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222524884	QSRRVTVKYJTEBA-IBGZPJMESA-N	435.502	3.565	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O	408704758	SKBBVEMIWYHMGD-UHFFFAOYSA-N	441.465	3.684	5	40	IHBB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O	409019262	INLWFELASOUMSR-JDAJCMJVSA-N	446.437	3.851	5	40	IHBB	
COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	9242610	QZJPUMMCLCPFHZ-NHTMILBNSA-N	439.512	3.910	5	40	IHBB	
COc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1	9316644	PLBSMNKKBSPFHG-UHFFFAOYSA-N	430.420	3.922	5	40	IHBB	
COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1	21571502	UHIGMDOWWZJJAE-UHFFFAOYSA-N	430.442	3.701	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCO[C@H](c2ccccc2)C1	23888430	JYRSPEYUVDSKBA-QFIPXVFZSA-N	445.541	3.737	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	27373568	AGYXVVSRSPFRSQ-BQJUDKOJSA-N	445.475	3.725	5	40	IHBB	
CN(C)c1c(Cl)cccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	32925788	UCNHDZDLKFZIHA-UHFFFAOYSA-N	432.893	3.846	5	40	IHBB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O	205693366	YSZQKPFXVQYWKG-WOJGMQOQSA-N	442.449	3.773	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Br)cc2)cc1	831346	XBPGUURRELRASO-OAHLLOKOSA-N	429.317	3.794	5	40	IHBB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12	8398930	FMOIVYBTUIZPDN-QGZVFWFLSA-N	425.397	3.948	5	40	IHBB	
O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ncc(Cc2ccccc2Br)s1	24830203	APXVEVZRQCJDCN-UHFFFAOYSA-N	436.291	3.630	5	40	IHBB	
CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl	2231399	VOIVIZXAYCFLKG-GOSISDBHSA-N	425.832	3.829	5	40	IHBB	
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccc(F)c(F)c1F	3351481	RVYDKIQJQLMXJI-VIFPVBQESA-N	444.797	3.563	5	40	IHBB	
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1	9220385	UKSGZWRSTCGOIQ-UHFFFAOYSA-N	440.500	3.550	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1	9616237	JGXBOKMVGGFVAG-UHFFFAOYSA-N	444.488	3.523	5	40	IHBB	
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	10010436	WRKVWWDQKJMNHI-UHFFFAOYSA-N	437.283	3.822	5	40	IHBB	
COc1cc(C)c(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1OC	21841873	PWTANYGBWUHLQA-UHFFFAOYSA-N	433.892	3.532	5	40	IHBB	
Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	28810910	YNRKPUPNSOPGLL-UHFFFAOYSA-N	426.347	3.873	5	40	IHBB	
CC1(C)C[C@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)OC(C)(C)OC2=O	101333853	SFVZXKJJWUYETE-GIMINZRKSA-N	428.485	3.747	5	40	IHBB	
O=[N+]([O-])c1c(Br)c([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1Br	102921178	OMSXTIDIERRLKZ-UHFFFAOYSA-N	449.793	3.699	5	40	IHBB	
CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225682803	RKCBVTCIPDNGJI-GOSISDBHSA-N	443.569	3.812	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)cc3Cl)CC2)c([N+](=O)[O-])c1	408573177	MNZFJZJQMHREHR-UHFFFAOYSA-N	431.876	3.696	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1NN(c1ccccc1)c1ccccc1	4802783	MSZZGNKXMMKCCM-UHFFFAOYSA-N	430.398	3.915	5	40	IHBB	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1	6149937	JKBOYWPDUBTSFO-UHFFFAOYSA-N	447.513	3.811	5	40	IHBB	
O=C1CN(C(=O)c2cc([N+](=O)[O-])c(Nc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2N1	8434978	QYBKXJGBOGXEHE-UHFFFAOYSA-N	433.380	3.846	5	40	IHBB	
CCN1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1	8793187	BFDWIHNKQMAZEE-UHFFFAOYSA-N	430.511	3.600	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCCCOc2ccc(F)cc2)c([N+](=O)[O-])c1	9465691	KXQVEMXMZSRDKI-UHFFFAOYSA-N	426.466	3.612	5	40	IHBB	
Cc1csc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)n1	19892901	PDJOZEPXKWQUIM-GOSISDBHSA-N	440.481	3.836	5	40	IHBB	
C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2([O-])C1	70665548	RTQDXHMAHWNJLQ-HIZNOYPNSA-N	445.644	3.899	5	40	IHBB	
COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1	224528398	CLBSZWAQMHLFNU-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)C1	9117671	KLUULKRWGIQZJD-GJZGRUSLSA-N	447.513	3.917	5	40	IHBB	
Cc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	25423426	XYYJLBHGGKXYPY-UHFFFAOYSA-N	436.468	3.741	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	100587087	XFLYLUWAQGFVEE-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220388547	KLWOKKNUQMEUQG-HNNXBMFYSA-N	433.530	3.821	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	409179212	PXQNCYSMSDRNLC-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1F	17101702	UYZOSSFHADIJOM-UHFFFAOYSA-N	437.758	3.940	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(F)cc1	17992846	WHVDSSFOLVXIRF-QHAWAJNXSA-N	433.395	3.785	5	40	IHBB	
O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	408603043	AKLHPYLBOJISMW-GOSISDBHSA-N	431.876	3.612	5	40	IHBB	
O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1	408660677	BURVRXNZMCNPBC-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
CCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	409172254	FJSKUJKIKZNVPP-MHWRWJLKSA-N	446.257	3.849	5	40	IHBB	
O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)cc2)cc1	32640690	OPAHJUDCDSPLFT-IRXDYDNUSA-N	437.930	3.523	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102737519	KQVZEZIPDVBIAL-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	222377998	HQNRVMZRVRJJPS-QGZVFWFLSA-N	433.530	3.635	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	248230555	AGYXVVSRSPFRSQ-CGXNFDGLSA-N	445.475	3.725	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1cccc(F)c1	408563530	AXAVPMJNMKYSAP-JSAFGSNCSA-N	447.466	3.973	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	408728444	MNBQNXKSADPHCH-VUUXHMSQSA-N	438.439	3.735	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1	1363553	KMDAXCRPAMJXLW-AWEZNQCLSA-N	448.888	3.867	5	40	IHBB	
Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nc(-c4cccnc4)c3c2n(C)c1=O	1444410	QPBIBLHUOUZKHN-UHFFFAOYSA-N	433.471	3.767	5	40	IHBB	
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1	2255203	GEWDTUTYSNNSGX-SFHVURJKSA-N	441.491	3.530	5	40	IHBB	
CCOc1ccc([C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])N2CCOCC2)cc1OC	12558161	KEMJNUIGMGJSMP-OAQYLSRUSA-N	443.500	3.690	5	40	IHBB	
O=C(Nc1cccc(C(=O)O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	13124355	RMNQOBXOMFLTGW-MOSHPQCFSA-N	431.404	3.703	5	40	IHBB	
COc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)nn2)cc1	23142720	WRQKRBLVGAAJNI-KRWDZBQOSA-N	433.468	3.916	5	40	IHBB	
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	32926819	AQVOTGHDHSYQMZ-UHFFFAOYSA-N	448.266	3.798	5	40	IHBB	
CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)C1	408976446	RHMAAQWOGNVPKS-KRWDZBQOSA-N	429.524	3.985	5	40	IHBB	
Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1	1363188	ZVBZLKSHXHNZCK-MRXNPFEDSA-N	428.470	3.522	5	40	IHBB	
CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	5945933	XWMXGVHKSBJGLV-UHFFFAOYSA-N	441.513	3.670	5	40	IHBB	
COC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCOCC1	9907764	RPVZDRPECHKKGC-XVNBXDOJSA-N	445.859	3.523	5	40	IHBB	
COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	16216367	WJMNPBPNWXZTIR-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
COc1ccc(NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1	24171950	ZGBUTYKRZROOIQ-UHFFFAOYSA-N	444.371	3.710	5	40	IHBB	
Cc1nn(Cc2ccc(C(=O)NCCOc3cccc(Cl)c3)cc2)c(C)c1[N+](=O)[O-]	40113635	DEXVXCJQTMSBAT-UHFFFAOYSA-N	428.876	3.919	5	40	IHBB	
Cc1c(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220025086	AHQBDCXSCVDHIW-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225079844	OKZZLLKDGDZJNE-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)OCO2	409093533	AAUUBPNXCKDKAO-QGMBQPNBSA-N	428.422	3.959	5	40	IHBB	
Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-]	15349651	UFEOTTNYPCSNKU-UHFFFAOYSA-N	434.275	3.889	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12	43732384	FRFBDFBDAODCNX-QNIAMRLHSA-N	427.460	3.971	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	408647312	WWAUBKBYYYUDDZ-QGZVFWFLSA-N	439.468	3.852	5	40	IHBB	
Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1	1363185	ZVBZLKSHXHNZCK-INIZCTEOSA-N	428.470	3.522	5	40	IHBB	
CCCCN1C(=O)[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2cc(Br)ccc21	8920459	QOPDTVSZLGSRII-FQEVSTJZSA-N	447.285	3.965	5	40	IHBB	
CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	17096188	ROTSJCLTPAWDDX-YCRREMRBSA-N	428.876	3.569	5	40	IHBB	
O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	20153162	VPKUZQVWKJWAJV-UHFFFAOYSA-N	448.888	3.673	5	40	IHBB	
COc1cc(CCN2C(=O)c3ccccc3[C@]2(O)c2ccccc2)c([N+](=O)[O-])cc1OC	32937817	ZBAUQWMKTVELPI-XMMPIXPASA-N	434.448	3.504	5	40	IHBB	
COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2C1=O	409176716	VWHFIGWJFSYPJS-UHFFFAOYSA-N	432.388	3.761	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409176935	BNTSISNJCNDNQM-UHFFFAOYSA-N	442.405	3.693	5	40	IHBB	
COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC	16227207	STAVGKQCZCNLSE-UHFFFAOYSA-N	439.390	3.593	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cc1[N+](=O)[O-]	21112995	UUMXDMKSUPWUSB-UHFFFAOYSA-N	433.877	3.985	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1	33770135	NQYDPOHPXSQASD-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(C(C)C)c3nc12	101117615	SMOWGYBUURQRLS-UHFFFAOYSA-N	435.915	3.601	5	40	IHBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	408678166	CQVGVGYLPXLYBX-UWWQBHOKSA-N	439.443	3.713	5	40	IHBB	
CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cc([N+](=O)[O-])ccc1Cl	2231397	VOIVIZXAYCFLKG-SFHVURJKSA-N	425.832	3.829	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1	14409797	BPDZAZRADUPCRO-UHFFFAOYSA-N	428.430	3.512	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	17095364	QBNMCCKZWQLGQB-UHFFFAOYSA-N	427.457	3.641	5	40	IHBB	
O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	31536704	YSUAGHARIICYOM-UHFFFAOYSA-N	431.408	3.647	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1	8768234	DFOXDPLPYLSJHJ-IFXJQAMLSA-N	437.477	3.987	5	40	IHBB	
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1	12173498	NHICPXINZRBXMB-UHFFFAOYSA-N	430.442	3.701	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)cc1Cl	13424589	SKVQXNRDZCTOQQ-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1	15243516	SNSIRHGVORAZAM-LLVKDONJSA-N	448.810	3.842	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1NC[C@@H]1CCCO1	23743938	DPDBALVSLIUWLD-LBPRGKRZSA-N	443.428	3.588	5	40	IHBB	
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1	223320314	XRYVWVRGNHPBNC-YUXAGFNASA-N	449.536	3.932	5	40	IHBB	
O=C(O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	224999982	WFKWXHJSBYVFRT-UHFFFAOYSA-N	428.422	3.667	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	4015867	DHEISUYQFLNNFD-VUUXHMSQSA-N	438.439	3.735	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1	8921179	WEKZFVNJGWCVIS-SBSDFTTDSA-N	428.470	3.941	5	40	IHBB	
Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])n1	9643698	AGYLJOSXUNOSAO-MRXNPFEDSA-N	434.452	3.807	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)cc(Cl)c1N	10960690	PVHBNIUOWITGHC-MRVPVSSYSA-N	428.228	3.676	5	40	IHBB	
COc1cc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])ccc1OC(F)F	11915427	GYXKDFCPIIZCGA-UHFFFAOYSA-N	448.325	3.745	5	40	IHBB	
Cc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1C	20289771	WDBLHARWYHGDFA-UHFFFAOYSA-N	433.516	3.650	5	40	IHBB	
Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1	40106662	IOKOTWFGCZWNJM-UHFFFAOYSA-N	425.466	3.885	5	40	IHBB	
CCc1ccc(-c2nn3c([C@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1	101018102	WZAQPLCEYCWYSO-PZBISTMVSA-N	438.487	3.857	5	40	IHBB	
COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1	409020049	YUCACTHFNVTJQV-UHFFFAOYSA-N	428.470	3.893	5	40	IHBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	1301747	SKGFYHBUPCKPHJ-MRXNPFEDSA-N	447.241	3.820	5	40	IHBB	
CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12	8765812	XFCDVQGIDHZULZ-UHFFFAOYSA-N	446.437	3.568	5	40	IHBB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F	14269687	DPEUCJNOQAWKSH-UHFFFAOYSA-N	442.266	3.940	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1	15439189	WGWHUGUOQNGANI-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	24871189	JYUYANMFTIUUHQ-FQEVSTJZSA-N	428.558	3.826	5	40	IHBB	
CCCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21	101236537	SCCFLGGXFSVPJD-UHFFFAOYSA-N	443.551	3.866	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	222378233	FEKMVURSAMXSTC-GOSISDBHSA-N	447.557	3.944	5	40	IHBB	
COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1OC	408713849	AWGOHMTYQDQZQS-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	3118079	WZPLRQDZCDQLTK-UHFFFAOYSA-N	439.482	3.629	5	40	IHBB	
NS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl	3515929	ULOHSRYWWSMNKZ-UHFFFAOYSA-N	443.864	3.604	5	40	IHBB	
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12	10010264	QFQSJPDJNHNWQS-UHFFFAOYSA-N	438.469	3.893	5	40	IHBB	
O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	15882000	SSEWUYCTTLCUGF-GOSISDBHSA-N	434.470	3.740	5	40	IHBB	
O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1	100210654	OYYRYRGCYOYKDO-BJESRGMDSA-N	427.460	3.656	5	40	IHBB	
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc(F)c1	103622463	ITTYFZLFRMYERU-TZIWHRDSSA-N	430.395	3.516	5	40	IHBB	
Cc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	835167	LMCLEZUDHWQURT-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
Cc1cc([N+](=O)[O-])nn1CCc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1	2730687	NBTMDZKVCFJSQM-UHFFFAOYSA-N	444.908	3.836	5	40	IHBB	
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cc2ccccc2oc1=O	8661853	WEEQJMWGOKKAJA-UHFFFAOYSA-N	434.433	3.886	5	40	IHBB	
COc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1	18003164	IZENIFTYWOKEML-UHFFFAOYSA-N	440.500	3.695	5	40	IHBB	
Cc1cc(C)n(-c2ccccc2NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1	25013715	MQXPHDLUKCHROP-UHFFFAOYSA-N	435.440	3.724	5	40	IHBB	
O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	28534845	BAHPJNJGGHPNAQ-UHFFFAOYSA-N	434.481	3.756	5	40	IHBB	
O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1Cc1ccco1	40399035	XQWZMRXPBWZNPH-UHFFFAOYSA-N	442.479	3.508	5	40	IHBB	
CN1CCC(Oc2ccc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1	216929168	LVPZDYABTLCJRO-UHFFFAOYSA-N	429.542	3.617	5	40	IHBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	224210540	SUZTXNOUAAUBJT-MRXNPFEDSA-N	431.920	3.980	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1	9411251	QQBYRVNMFSFQIA-OAHLLOKOSA-N	443.308	3.731	5	40	IHBB	
O=C(Nc1ccc(Sc2nncs2)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1	97035115	USPOIRMBLFKKHW-UHFFFAOYSA-N	443.510	3.686	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1Cc1ccccc1	100562483	JZKWMYLBDZSCOC-FSSWDIPSSA-N	429.432	3.642	5	40	IHBB	
Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	220392740	RKHOOBZKGOZSKK-IAGOWNOFSA-N	433.530	3.552	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222532351	IUODAHVBYDEHOV-MRXNPFEDSA-N	425.894	3.740	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O	408648937	YRMCOGHWDJFUCR-LBPRGKRZSA-N	448.273	3.666	5	40	IHBB	
C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	10716789	BSKVEMKXOCSWFD-NSHDSACASA-N	441.421	3.631	5	40	IHBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc2[N+](=O)[O-])CC1	25656581	FAFQNSVQGKLUAX-UHFFFAOYSA-N	440.500	3.550	5	40	IHBB	
O=C(CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl	32927352	MBFMKOQAXVMPKZ-UHFFFAOYSA-N	449.870	3.612	5	40	IHBB	
CN(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(F)cc1	89365268	CTOOMLKUWBLAHO-UHFFFAOYSA-N	430.413	3.778	5	40	IHBB	
CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)n1	9097313	HLBFDWAUGZDSGL-UHFFFAOYSA-N	432.502	3.790	5	40	IHBB	
COc1ccc(C(=O)NCC(=O)OCc2nc3ccccc3c3ccccc23)cc1[N+](=O)[O-]	9353477	MIGLZLWBDXLBED-UHFFFAOYSA-N	445.431	3.778	5	40	IHBB	
CCCOC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1CCOCC1	9907840	SUUKMJUSXGYZLL-UHFFFAOYSA-N	427.457	3.559	5	40	IHBB	
COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)c1	13658399	KKWLEQOPCNKWOY-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
O=C(COc1ccc(C2SCCS2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19597807	XZSTXYJFGLGBCG-UHFFFAOYSA-N	445.566	3.801	5	40	IHBB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)cc1	19929221	MHUOERJMZVJDFM-UHFFFAOYSA-N	441.469	3.951	5	40	IHBB	
COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225022417	LJFLVXWFALXPHQ-UHFFFAOYSA-N	442.449	3.755	5	40	IHBB	
S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4	408994109	FTTHPOKWFTUOCE-UHFFFAOYSA-N	446.488	3.770	5	40	IHBB	
O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(F)cc1	9273405	BLGFHWFDAHQYGL-XDHOZWIPSA-N	443.456	3.807	5	40	IHBB	
CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl	39985283	CEUKPJZHRTZQPO-UHFFFAOYSA-N	446.312	3.859	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1[N+](=O)[O-]	409356908	HXPSWHWNXQVGFN-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	9209849	QZJPUMMCLCPFHZ-QTJGBDASSA-N	439.512	3.910	5	40	IHBB	
O=C1CCN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)[C@@H]2CCCC[C@H]12	15276190	MZANFQNQIXOJOX-VQTJNVASSA-N	430.482	3.909	5	40	IHBB	
COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1	19631106	GRXUUIILWZNIKG-UHFFFAOYSA-N	440.275	3.501	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C	20061805	JHBNLIVSKBJRMB-UHFFFAOYSA-N	431.514	3.885	5	40	IHBB	
COc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1[N+](=O)[O-]	31584946	MPOLEIXUWSIASA-CYBMUJFWSA-N	449.389	3.685	5	40	IHBB	
Nn1c(Cc2cccc3ccccc23)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2	33516667	NHDRGUINDIWVPG-UHFFFAOYSA-N	449.492	3.803	5	40	IHBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1	409303142	LRHRZUAXXHOZGK-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
COc1cc2nc3c(Cl)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2cc1OC	9545024	CWBNTBRQBJRMBQ-UHFFFAOYSA-N	428.803	3.594	5	40	IHBB	
CN1C(=O)[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21	13732840	YGXNEKGXSLNWFW-OAQYLSRUSA-N	429.436	3.556	5	40	IHBB	
O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(ccc3ccccc32)o1	20503027	DWDNPNQFRUBERB-UHFFFAOYSA-N	428.488	3.993	5	40	IHBB	
CC(C)OC(=O)C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	49590275	WZKUQENNEDXQCG-GOSISDBHSA-N	430.432	3.896	5	40	IHBB	
O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	58438786	SEAMHPWMQOQPBR-UHFFFAOYSA-N	427.848	3.787	5	40	IHBB	
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	102744748	NMDCUQHAPVTSMT-BHDDXSALSA-N	429.432	3.954	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224778644	MQXYQUIMLNIHNC-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12	12491047	KGPWNCMNNCIKLS-UHFFFAOYSA-N	428.499	3.903	5	40	IHBB	
O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	21577883	RAFHCONNVWCWOH-UHFFFAOYSA-N	428.464	3.813	5	40	IHBB	
CCSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)n1	40398908	HWFCHVXWPKVXPJ-UHFFFAOYSA-N	436.541	3.826	5	40	IHBB	
CC(C)OCCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	8792374	PMTGXFHBQMNVRA-UHFFFAOYSA-N	443.503	3.902	5	40	IHBB	biogenic
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1	9425389	AJZPRQVGXIECEP-INIZCTEOSA-N	431.246	3.624	5	40	IHBB	
Cc1cc(C(=O)NCCCCCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]	13987648	RWPJQQVDMSVFMC-UHFFFAOYSA-N	442.472	3.840	5	40	IHBB	
O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12	20410965	MFGRBDSCQKSQOL-UHFFFAOYSA-N	436.493	3.711	5	40	IHBB	
O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20650435	LDYVPJPBMIKRDS-HNNXBMFYSA-N	427.892	3.700	5	40	IHBB	
CCc1cc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2cc([N+](=O)[O-])ccc2n1	95468140	ZLCREMVDXJFJLR-UHFFFAOYSA-N	435.408	3.954	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102733856	MXBNLMMPMIDQOU-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(OC)c1OC	408570273	KRKOLNURCVESLZ-SFHVURJKSA-N	448.476	3.851	5	40	IHBB	
O=C(Nc1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	841641	OGGXIWNDBUJMNE-UHFFFAOYSA-N	436.161	3.558	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1	9097135	CQLWCUKHRZSMSZ-QZTJIDSGSA-N	442.432	3.757	5	40	IHBB	
CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	9698562	GKOZQEANOGAXHG-UHFFFAOYSA-N	431.514	3.758	5	40	IHBB	
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	12520155	IFGHEBSGJNRZEZ-UHFFFAOYSA-N	433.346	3.701	5	40	IHBB	
O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	15882002	BUXIUKNWQCZEDO-GOSISDBHSA-N	434.470	3.740	5	40	IHBB	
CCCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1	58157472	KUYWDDJFOHAPPW-SFHVURJKSA-N	427.526	3.582	5	40	IHBB	
CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21	100826807	PGCSIHZQCCKTGG-MRXNPFEDSA-N	436.537	3.549	5	40	IHBB	
COc1ccc(CCN/C=C2\C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)c3ccccc32)cc1	101189169	QTDXAXGZTSQUHO-PGMHBOJBSA-N	443.459	3.964	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c(C)c1	108262694	SJDGPKJGVQTBOQ-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1[N+](=O)[O-]	409154825	HNNFDZDTYUYXAO-LICLKQGHSA-N	441.465	3.895	5	40	IHBB	
O=C(COC(=O)COc1ccc(OCc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1	8825635	FAMUUOIMPHUBAR-UHFFFAOYSA-N	436.420	3.735	5	40	IHBB	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)ccc1[N+](=O)[O-]	13132046	USRISUWYIQAEQT-GASCZTMLSA-N	431.514	3.822	5	40	IHBB	
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	24596743	RMBHRODHPZHGKE-UHFFFAOYSA-N	433.468	3.802	5	40	IHBB	
Cn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1cc(Br)ccc1O	408609009	YBCXOMHUUQHEPB-UHFFFAOYSA-N	435.259	3.822	5	40	IHBB	
CCCOc1c(Br)cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OCC	409348266	RUQPXCNAAYQOQP-AATRIKPKSA-N	440.250	3.916	5	40	IHBB	
CCCCN(CCCC)C(=O)CN(CCN(CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1	4578251	UNCUVQJOQYIGLC-UHFFFAOYSA-N	434.581	3.808	5	40	IHBB	
Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C)no1	9467112	UXXGMFBRMWISRO-RUDMXATFSA-N	435.484	3.661	5	40	IHBB	
CN(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	17095492	JMOBGHSMPZIGGX-UHFFFAOYSA-N	427.530	3.778	5	40	IHBB	
CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cc([N+](=O)[O-])ccc1Cl	26924371	OSRJIZLTAIPJOW-UHFFFAOYSA-N	434.899	3.558	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C	68968091	ZYFFHEGGBUUZFM-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3ON2c2ccccc2)c1	100937085	KKWLEQOPCNKWOY-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223197738	NSHWFUXJJXXOPV-IBGZPJMESA-N	433.505	3.521	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225026947	WOMXJLFITYQYMS-UHFFFAOYSA-N	433.269	3.660	5	40	IHBB	
COCCCN1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O	408996771	DYIMENLDLUFMKZ-UHFFFAOYSA-N	434.404	3.746	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O	409163084	LRJFIBUZVWPWDV-LZYBPNLTSA-N	447.856	3.932	5	40	IHBB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O	8875168	BITXYBQQEMEYPV-MUOOZZNISA-N	446.437	3.851	5	40	IHBB	
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1	32125285	SNPZWBOAKGEBDT-UHFFFAOYSA-N	430.464	3.810	5	40	IHBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223845146	BLOASUCXADOBOI-MRXNPFEDSA-N	447.532	3.911	5	40	IHBB	
CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224776272	LFYIZIIUMQZDRX-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408689009	XMDCQXOMJHUDPW-MOPGFXCFSA-N	437.427	3.633	5	40	IHBB	
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409341205	ABOPHMIKMKSBOI-UHFFFAOYSA-N	427.486	3.824	5	40	IHBB	
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2	2256693	AVIWUGRAVJYGAA-UHFFFAOYSA-N	427.464	3.711	5	40	IHBB	
COCCNc1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-]	16101864	USNUVKGJUBOWPP-UHFFFAOYSA-N	437.500	3.728	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(NCc2cccc(NC(=O)C(C)C)c2)c([N+](=O)[O-])c1	24211314	HKQSIZCZWSIADQ-UHFFFAOYSA-N	448.545	3.832	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408683488	LKBFBSMQOVEXLA-HZPDHXFCSA-N	441.871	3.981	5	40	IHBB	
CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408719113	DXOQSZPZCHTBLV-SFHVURJKSA-N	427.438	3.678	5	40	IHBB	
C[C@H](Sc1nnc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	9166898	FZVWTUMKEIKQEO-NSHDSACASA-N	426.483	3.880	5	40	IHBB	
Cn1c(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(Br)cc3c2n(C)c1=O	12427985	NWFDHQUOKMJRNV-UHFFFAOYSA-N	430.689	3.868	5	40	IHBB	
O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@@H](O)COc1ccc(Cl)cc1Cl	12735721	DFLAAKLOXMDVQU-SNVBAGLBSA-N	444.658	3.705	5	40	IHBB	
COc1cc(CCNC(=O)c2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	14319578	NPWYUQMDUYFQIM-UHFFFAOYSA-N	434.448	3.816	5	40	IHBB	
Cc1cc(I)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	33382468	PPDICYAQQLCBTB-UHFFFAOYSA-N	432.239	3.617	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccc(C(C)C)cc1)S(C)(=O)=O	218563362	XXFHEOOOAJUBJR-UHFFFAOYSA-N	447.557	3.542	5	40	IHBB	
CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	408645375	KJKAKHWIWZMRDO-UHFFFAOYSA-N	427.457	3.756	5	40	IHBB	
C[C@@H](C(=O)OCc1cc(=O)oc2ccc3ccccc3c12)N1C(=O)c2ccccc2C1=O	3479577	DPPOWRPLVZZMMI-AWEZNQCLSA-N	427.412	3.674	5	40	IHBB	
C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@H]1CCCO1	8792365	SNFQBHRFUKTLQS-DOTOQJQBSA-N	441.487	3.654	5	40	IHBB	biogenic
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N(C3CC3)C(=S)N=C2O)[C@@H]1c1ccccc1	8814556	UONGBQDGZLDGOL-PGRDOPGGSA-N	436.493	3.561	5	40	IHBB	
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])co2)n1	9829251	XPUJVJFPFVTSBO-UHFFFAOYSA-N	433.829	3.811	5	40	IHBB	
CC(C)c1cc(=O)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1	11855676	QAOBLLJKQZYZRH-UHFFFAOYSA-N	440.441	3.561	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2OC(C)C)CC1	13322656	WPKWKDRGRDDRLZ-UHFFFAOYSA-N	428.489	3.740	5	40	IHBB	
O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	20650432	LDYVPJPBMIKRDS-OAHLLOKOSA-N	427.892	3.700	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1	48368841	IYCLRZZZCYTBAS-IRXDYDNUSA-N	432.498	3.608	5	40	IHBB	
CC(C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	89885243	XPBGPWNYDUOUGA-UHFFFAOYSA-N	446.312	3.622	5	40	IHBB	
CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C	220424043	RJTPYAWCGQUDKC-OXJNMPFZSA-N	433.530	3.634	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2)cc1	408570563	LJRHXDPAEFWPGN-XHIRGIGLSA-N	429.476	3.834	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408686003	QVLYREFXBLNRAD-RTBURBONSA-N	441.871	3.981	5	40	IHBB	
COc1ccc(N[C@H](NC(=O)OC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	3163944	GXJWJLBKSOCACY-ZWNOBZJWSA-N	442.683	3.617	5	40	IHBB	
O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1	8435608	FRCMXMHCKWPBOV-UHFFFAOYSA-N	449.448	3.866	5	40	IHBB	
O=C(CCC1CCCC1)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	31392492	UUUUCESXRPRQHX-UHFFFAOYSA-N	445.563	3.796	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCCC1	205912451	XGFOEUKXVNKUJB-GZTJUZNOSA-N	427.438	3.514	5	40	IHBB	
Cc1nn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	2731140	SWCKWZLEJSVDNM-UHFFFAOYSA-N	444.908	3.950	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br	4289869	MTKFOHNIXCYGHR-UHFFFAOYSA-N	441.234	3.644	5	40	IHBB	
COCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)c(C)nc21	4326736	LXPWECCDVYRJCI-UHFFFAOYSA-N	429.480	3.637	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	9064616	MMQCJFTWXIVBEE-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	14269579	UMTTVQKUQIIWDN-UHFFFAOYSA-N	443.485	3.929	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	27373319	AVKPDODUWHDKSE-BQJUDKOJSA-N	445.475	3.725	5	40	IHBB	
CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cc([N+](=O)[O-])ccc1Cl	57418847	JOGOFYPYXDLEDM-UHFFFAOYSA-N	430.892	3.836	5	40	IHBB	
O=C(CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl	97021891	QXDZDCALUJFIIQ-QGZVFWFLSA-N	426.864	3.809	5	40	IHBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O	409361513	SHWGIUUFBPNYKZ-PXNMLYILSA-N	448.840	3.882	5	40	IHBB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1ccc([N+](=O)[O-])cc1	13130568	YJFUIZKWGZCKFE-NTEUORMPSA-N	444.509	3.916	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12	16033181	LNNFASIGHIHUBR-ZHRMCQFGSA-N	446.438	3.505	5	40	IHBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	18188138	NCUNSLYYVYSWPP-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1	19929255	RLUBHEVNFWTIOC-UHFFFAOYSA-N	441.469	3.951	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20061540	UVLOBFXOUXUITI-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
CCOC(=O)C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1cccc(OC)c1	58023405	JCNLQJOKXIBZLL-LJQANCHMSA-N	427.457	3.602	5	40	IHBB	
O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc(F)c1	103622466	ITTYFZLFRMYERU-PZJWPPBQSA-N	430.395	3.516	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCCC1	205911265	IMISUIHWIJWTQM-GZTJUZNOSA-N	427.438	3.514	5	40	IHBB	
COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O	409145094	PXPGTEWPQCIYON-LICLKQGHSA-N	445.409	3.978	5	40	IHBB	
O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409181698	FBTCNJJCOILJAG-UHFFFAOYSA-N	442.405	3.693	5	40	IHBB	
Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409330561	KUSBQDOORHUVQX-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1nn(-c2cccc(Cl)c2)ccc1=O	9065973	VAFVZEGCEDJURA-UHFFFAOYSA-N	449.648	3.809	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	13981735	BFXOFCINYFOOMY-UHFFFAOYSA-N	442.409	3.556	5	40	IHBB	
CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	409025333	TYWLAOASIZOSIR-UHFFFAOYSA-N	441.465	3.792	5	40	IHBB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1	409182991	QNEKCQAWOJTKKP-WOJGMQOQSA-N	441.465	3.841	5	40	IHBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	17096445	DHFAMUIOTQWDHE-UHFFFAOYSA-N	429.458	3.620	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102737517	KQVZEZIPDVBIAL-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
CC(C)C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1	220422317	NLYXXLLAQTWRNA-JXFKEZNVSA-N	433.530	3.653	5	40	IHBB	
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222491926	GOAIOWIXBLYGCR-AWEZNQCLSA-N	435.933	3.645	5	40	IHBB	
CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408689011	XMDCQXOMJHUDPW-RBUKOAKNSA-N	437.427	3.633	5	40	IHBB	
CCOC(=O)CN(c1c(C)cc([N+](=O)[O-])c2ccccc12)S(=O)(=O)c1ccccc1	5159915	QFNHGEWAPAECSU-UHFFFAOYSA-N	428.466	3.815	5	40	IHBB	
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	9242616	PVUTYENHGYEYTA-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F	12376831	LZNORCIHBUWENZ-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
COc1ccc(OCCSc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1	13135205	IAYPCEVIHUMFOB-UHFFFAOYSA-N	440.543	3.851	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O	16347403	XTFNWLRHBSAEAY-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O	22374819	OWNSCUVBNPJHTG-UHFFFAOYSA-N	447.513	3.629	5	40	IHBB	
COc1ccc(Cn2ccc3nc4ccn(Cc5ccccc5F)c(=O)c4cc3c2=O)cc1	40398800	IMFBPVXRWIDHIK-UHFFFAOYSA-N	441.462	3.956	5	40	IHBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	225752140	HTKDZIRKRNLOHE-LAUBAEHRSA-N	441.528	3.868	5	40	IHBB	
O=C1Nc2ccccc2S/C1=C\c1cc(I)c(O)c([N+](=O)[O-])c1	409101358	STVABNBWQQNANW-QPEQYQDCSA-N	440.218	3.990	5	40	IHBB	
Cc1[nH]nc(O)c1C(c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1c(O)n[nH]c1C	409360010	CWZZJNPXMUHPOE-UHFFFAOYSA-N	435.440	3.828	5	40	IHBB	
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nncs1	1817586	MDVIMLMHLPQNFF-OAHLLOKOSA-N	440.824	3.956	5	40	IHBB	
Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)C1	8623931	HTEHHQOFCLVWGB-QZTJIDSGSA-N	438.509	3.788	5	40	IHBB	biogenic,in-vitro
Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	12342276	CLMGQSRRKRTBEZ-UHFFFAOYSA-N	445.391	3.763	5	40	IHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCN(Cc2ccccc2)CC1	12522886	DAOHHXXVQPGLFI-UHFFFAOYSA-N	425.532	3.936	5	40	IHBB	
Cc1cc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c(C)c1	22400400	BKFIFXPHOKWFOD-UHFFFAOYSA-N	425.894	3.578	5	40	IHBB	
CC(C)(C)OC(=O)N1CCc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1	24828257	WCPMDGQJAYBTIE-RMKNXTFCSA-N	430.486	3.996	5	40	IHBB	
CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1	408569080	IRJTYYZEPBNGHI-LJQANCHMSA-N	428.470	3.813	5	40	IHBB	
CC[C@H](C)NC(=O)c1c(N)n(-c2cc([N+](=O)[O-])ccc2OC)c2nc3ccccc3nc12	2367506	PIOCLJPQZVDJMX-LBPRGKRZSA-N	434.456	3.601	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl	9525768	RRODCAGCVAAXIN-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	102709079	BTYKVKZKPFZZEW-HKBOAZHASA-N	433.395	3.785	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565369	JZEOZYJXRGHPOL-PBXXJUDPSA-N	447.466	3.927	5	40	IHBB	
C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	408999445	CVQWIJXDJDYWKW-KRWDZBQOSA-N	446.459	3.658	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(C(F)(F)F)cc2)cc1	2711694	RDQCUHYKZYGOQW-UHFFFAOYSA-N	445.444	3.907	5	40	IHBB	
O=c1[nH]c(/C=C\c2ccc(OCc3ccccc3)c(Br)c2)nc(O)c1[N+](=O)[O-]	9355180	RHUPUGDGCMCQJK-CLFYSBASSA-N	444.241	3.896	5	40	IHBB	
COc1ccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)cc1OCc1ccc([N+](=O)[O-])cc1	19355957	UIWGRPNPJUZXRY-OAQYLSRUSA-N	444.451	3.819	5	40	IHBB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1	19929227	LIHKCDVXSNMVJR-UHFFFAOYSA-N	427.442	3.642	5	40	IHBB	
CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	34931157	NXOMFLCOAFSQDZ-UHFFFAOYSA-N	430.486	3.616	5	40	IHBB	
COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	139074924	SKEUYYNMPHYIDI-UHFFFAOYSA-N	448.431	3.938	5	40	IHBB	
Cc1cccc(N2C(=O)N=C(O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c1	8971764	QKPDXHQQDFESEK-AUSIDOKSSA-N	434.452	3.928	5	40	IHBB	
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	9315470	CMOZFBVTACIVMI-UHFFFAOYSA-N	449.419	3.776	5	40	IHBB	
COc1ccc(CNC(=O)c2c3nc4ccccc4nc3n3c2[nH]c(=O)c2ccccc23)cc1	11692079	LDEKMRHFAZUUGU-UHFFFAOYSA-N	449.470	3.816	5	40	IHBB	
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	32967194	CWWGPSZUZSVXLL-INIZCTEOSA-N	448.859	3.568	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1	103617038	NAITYWUJYVPUTD-IFMALSPDSA-N	426.432	3.686	5	40	IHBB	
COc1cc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)ccc1[N+](=O)[O-]	408551755	IPRQFXGVUZEIMX-UHFFFAOYSA-N	428.392	3.632	5	40	IHBB	
CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	8831742	ASQRNZXMHMJQOB-UHFFFAOYSA-N	447.948	3.517	5	40	IHBB	
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	8834892	UYJMLOFRIIKCKI-LJQANCHMSA-N	441.871	3.852	5	40	IHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-]	12794560	GSGPJMCYYKNZRQ-UHFFFAOYSA-N	445.476	3.828	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	12797640	DPFVPYDZOOTLIF-UHFFFAOYSA-N	431.514	3.649	5	40	IHBB	
Nc1nc(Nc2cccc(Cl)c2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-]	95346117	INLKNWRPBGUODR-UHFFFAOYSA-N	439.907	3.686	5	40	IHBB	
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	22457894	KBGQZCZOESTJOE-UHFFFAOYSA-N	446.312	3.941	5	40	IHBB	
CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	223581423	RSJTUNJQYZMDGH-UHFFFAOYSA-N	430.486	3.763	5	40	IHBB	
COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	225239049	YZEYEWBVDBGEDR-RIYZIHGNSA-N	438.918	3.956	5	40	IHBB	
O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1	408660490	QDPTZTVRNKVDNN-UHFFFAOYSA-N	440.239	3.802	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408687566	UQHIYFSOBYEOAN-CALCHBBNSA-N	441.871	3.981	5	40	IHBB	
CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Oc1nc(Cl)ncc1F	409338490	KWGKZJKYNGEGNV-XQRVVYSFSA-N	449.782	3.740	5	40	IHBB	
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1	8691682	JCYSKWDKOFDAPL-UHFFFAOYSA-N	431.496	3.873	5	40	IHBB	
Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	9290893	OSBHQHWGRIJUAT-UHFFFAOYSA-N	437.418	3.958	5	40	IHBB	
O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	15676026	MFTRTVOFRGINMR-SFHVURJKSA-N	437.460	3.510	5	40	IHBB	biogenic,in-vitro
C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2N1C(=O)c1ccccc1	223268763	ZTMUVRCKLMIFRV-OAHLLOKOSA-N	437.477	3.987	5	40	IHBB	
COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224786581	HRXJZZQBGOPHNF-UHFFFAOYSA-N	433.269	3.578	5	40	IHBB	
CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	6135593	ARRQEZTXKVGVRB-UHFFFAOYSA-N	426.502	3.858	5	40	IHBB	
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	9714704	FIWMPBZIKZPLBK-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1Cc1ccccc1Cl	14944049	ZIGVGBIOAPYUAH-UHFFFAOYSA-N	444.900	3.962	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1	15271491	BRHBULZZOGANKA-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12	20675256	PJBXKBVOSNXKSI-WOJBJXKFSA-N	436.468	3.860	5	40	IHBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1	24917676	GCJPPONWZVDNBT-UHFFFAOYSA-N	440.500	3.744	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	59132893	ZLOGJAICHOAKRW-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	218489308	MFGSYHXFMOXCNI-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
CC(C)N1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1	9390615	SZKXWCRCTJAPPM-UHFFFAOYSA-N	444.538	3.989	5	40	IHBB	
CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	103562488	AGYXVVSRSPFRSQ-UWHLTILDSA-N	445.475	3.725	5	40	IHBB	
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O	218381815	RHNOFPQPPYQWRU-JTQLQIEISA-N	432.285	3.695	5	40	IHBB	
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1	225060228	YTIHRZRLIMJNIC-UHFFFAOYSA-N	444.465	3.515	5	40	IHBB	
O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br	9603155	UQXRWCAWDKQCGD-UHFFFAOYSA-N	449.044	3.855	5	40	IHBB	
Cc1cccn2cc(COc3ccc(C(=O)NCCNc4ccccc4[N+](=O)[O-])cc3)nc12	10356090	SXARQZCHSZEWIK-UHFFFAOYSA-N	445.479	3.972	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O	30754474	DKQMHLDWQCUYKU-LJQANCHMSA-N	433.530	3.573	5	40	IHBB	
Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	408606594	IWAPRCLWLNQCJO-HXUWFJFHSA-N	445.903	3.921	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCC(C)CC1	408703119	NIEXSOLWMJFXIG-UHFFFAOYSA-N	447.513	3.585	5	40	IHBB	
Cc1cnc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cn1	11480791	PESYQKVVVPRINJ-GOSISDBHSA-N	426.816	3.883	5	40	IHBB	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1	89365497	UBXIFYYACMPZIC-UHFFFAOYSA-N	426.450	3.777	5	40	IHBB	
Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl	220364136	RHGIVVAIHOQDOO-CYBMUJFWSA-N	425.894	3.658	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1	9446120	BLIJAFAGQGMFFD-UHFFFAOYSA-N	441.465	3.681	5	40	IHBB	
Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)ccc1[N+](=O)[O-]	12934161	AMDCXFYEFUOOBB-UHFFFAOYSA-N	440.525	3.882	5	40	IHBB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1C	2657066	VUIMJEFRGWXMNC-UHFFFAOYSA-N	445.541	3.868	5	40	IHBB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccnc2[N+](=O)[O-])cc1	9119828	GSSWUWHHHFFMTG-FQEVSTJZSA-N	432.436	3.755	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccco2)n1CC(C)C	9329089	VFGIJDSIRMTGPM-UHFFFAOYSA-N	431.474	3.842	5	40	IHBB	
C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	13119865	GFVUOMIQFIHSLB-HNNXBMFYSA-N	436.434	3.787	5	40	IHBB	
O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1	18194974	NOKAKFYARPFZPP-XMMPIXPASA-N	431.492	3.874	5	40	IHBB	
COc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	20001755	VYFMAKNUBZBLJR-UHFFFAOYSA-N	428.466	3.661	5	40	IHBB	
COc1ccc(CCN2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@H]3C)cc1OC	100889632	XCYGEZPDFCZRBO-NJDIQBRYSA-N	443.525	3.831	5	40	IHBB	
Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-]	217944817	RITPMSGQOTZGCY-UHFFFAOYSA-N	431.246	3.988	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(C)cc1	408555147	DWJRQZXWHPKOFQ-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O	409353114	GWCHISFFRWVIMS-VCHYOVAHSA-N	441.465	3.895	5	40	IHBB	
CCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792306	VAAVBCFEDIQXLB-UHFFFAOYSA-N	445.475	3.514	5	40	IHBB	biogenic
CC(C)(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1	8869806	JWBSFBCYTABQNI-FQEVSTJZSA-N	430.526	3.722	5	40	IHBB	
Cc1cc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)ccc1Cl	9059448	BAWRMENEMZKMQP-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1	16031990	ALPYWRNRHTUSGX-OAHLLOKOSA-N	425.869	3.878	5	40	IHBB	
COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C	409141504	KBIABZNIIKKAGZ-UHFFFAOYSA-N	433.877	3.783	5	40	IHBB	
COc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2cc1Cl	19648152	UMEZAOWSHYRETL-UHFFFAOYSA-N	448.888	3.955	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1[N+](=O)[O-]	24288054	CLNBDXWGXYFACE-UHFFFAOYSA-N	447.904	3.995	5	40	IHBB	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Br)cnc1Br	79110680	LTGMVBJPDVUIAF-UHFFFAOYSA-N	444.083	3.956	5	40	IHBB	
CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C	220424116	RJTPYAWCGQUDKC-JXFKEZNVSA-N	433.530	3.634	5	40	IHBB	
COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])cc1	3097853	OKRPVNBQWMNBEM-UHFFFAOYSA-N	431.404	3.504	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCCOc1ccc(Cl)cc1	9500090	RYLYKBIGLPKBKO-UHFFFAOYSA-N	440.905	3.881	5	40	IHBB	
Cc1nc(CCNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])cs1	12558048	XZAFFFIZNVMVJZ-UHFFFAOYSA-N	438.575	3.871	5	40	IHBB	
CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1	15166356	XWTVWIAEEHCCCC-UHFFFAOYSA-N	433.486	3.910	5	40	IHBB	
O=C(Cc1noc2ccccc12)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	19358191	UDJDMQVDMFMMLU-UHFFFAOYSA-N	437.433	3.750	5	40	IHBB	
Cc1nc(C)c(-c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)s1	24716371	SDNAHGAHNGDBRZ-UHFFFAOYSA-N	432.531	3.634	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	101080299	QCMIGTMWYPLPKM-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222520251	PSGKRPONDBCQOJ-MRXNPFEDSA-N	445.419	3.797	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260512468	WTSJGPLICLSYDO-APWZRJJASA-N	433.530	3.634	5	40	IHBB	
O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	408605767	GQHRWWKFNIYVGC-LJQANCHMSA-N	431.876	3.612	5	40	IHBB	
COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	836519	JILILSPTYQURGO-UHFFFAOYSA-N	434.404	3.895	5	40	IHBB	
COC(=O)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@@H](c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC	4551876	CKXDGJUGYNDOKK-JSJNYSNDSA-N	440.408	3.519	5	40	IHBB	
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc2c1CCCC2	9509866	YOFWHXGBOOSGND-UHFFFAOYSA-N	428.514	3.877	5	40	IHBB	
CC1CCN(c2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2[N+](=O)[O-])CC1	12578800	FPXZKFSKNMCGIA-UHFFFAOYSA-N	438.484	3.721	5	40	IHBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)CC1	20153263	YOUQSQWTSXJIBR-UHFFFAOYSA-N	442.497	3.656	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1[N+](=O)[O-]	409165129	SYALGBKXHKTFSK-LICLKQGHSA-N	427.438	3.587	5	40	IHBB	
COc1ccc(N[C@@H](NC(=O)OC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	3163946	GXJWJLBKSOCACY-MFKMUULPSA-N	442.683	3.617	5	40	IHBB	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3c3nc4ccccc4n23)cc1	9782591	VSKJJWKKZIPZIW-UHFFFAOYSA-N	445.504	3.538	5	40	IHBB	
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nn12	10010270	GPCFUWPKGMUHLH-UHFFFAOYSA-N	438.469	3.893	5	40	IHBB	
O=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	12523069	SYRYELKHEOZMBJ-UHFFFAOYSA-N	434.276	3.552	5	40	IHBB	
C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(S(N)(=O)=O)cc1	16063104	CIZKMVMJXRRBLV-LLVKDONJSA-N	449.872	3.647	5	40	IHBB	
CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1	39985462	CUMHKLJAGBBEAR-UHFFFAOYSA-N	427.482	3.706	5	40	IHBB	
CCN1C/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1	96767622	NUWFMTZVKAZGMU-ZSOIEALJSA-N	435.436	3.932	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2cccc(F)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408569326	VPYJVOFVICINGI-HFRGRHLUSA-N	447.466	3.927	5	40	IHBB	
Cc1cc([N+](=O)[O-])nn1Cc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1	2731020	CMLTVTAEGQOTFD-UHFFFAOYSA-N	430.881	3.641	5	40	IHBB	
COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1	3271875	FXKFMSXOIAYANW-UHFFFAOYSA-N	443.437	3.531	5	40	IHBB	
Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	14223998	VEBOZUNURAMKJA-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-]	16250121	XEHNWTZEDZMOPO-UHFFFAOYSA-N	438.362	3.793	5	40	IHBB	
CCCCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	34701100	BHDUSZXBTPGWFL-UHFFFAOYSA-N	447.605	3.689	5	40	IHBB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)NC(=S)N1	72328185	XIHLVSYXFRBRDM-HXUWFJFHSA-N	441.509	3.918	5	40	IHBB	
CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	84744670	SKAMOXLJILZWPY-JLHYYAGUSA-N	446.529	3.709	5	40	IHBB	
COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCC(C)C)nc2c31	8878664	BHZWNZDUCBOINT-UHFFFAOYSA-N	429.476	3.995	5	40	IHBB	biogenic
Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	22278845	PUDLIMFLWNYGNE-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	22389991	JEMWZNAJYCODEN-UHFFFAOYSA-N	447.419	3.707	5	40	IHBB	
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1	95352100	SVWBWUIYMUELKZ-ZDUSSCGKSA-N	448.405	3.942	5	40	IHBB	
COc1cc(C(=O)OCC(=O)c2cc(C)ccc2OC(F)F)c([N+](=O)[O-])cc1OC	9465645	UZYZCJFWRIPVJZ-UHFFFAOYSA-N	425.340	3.562	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O	10326184	NBUMAESYQSNYRI-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	222378293	FEKMVURSAMXSTC-SFHVURJKSA-N	447.557	3.944	5	40	IHBB	
C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	408661552	XIIAVJZVTFQTOT-OAHLLOKOSA-N	443.415	3.520	5	40	IHBB	
COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2C1=O	409178877	OEZJLFLMOIMQIS-UHFFFAOYSA-N	432.388	3.761	5	40	IHBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	409183669	RWANZSJQQDVTOU-UHFFFAOYSA-N	429.429	3.716	5	40	IHBB	
CC(=O)Nc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	24522261	HXVZYZINWBACQD-UHFFFAOYSA-N	440.433	3.605	5	40	IHBB	
COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225012216	GXRUUYAIPAOFIT-UHFFFAOYSA-N	426.450	3.630	5	40	IHBB	
COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409188967	LQNZATVXOSEXAN-LFIBNONCSA-N	434.360	3.760	5	40	IHBB	
COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	3641580	MJXAVEFPFVFLKO-NRFANRHFSA-N	448.435	3.524	5	40	IHBB	
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	9708304	FJDCTVHKYBHAQC-IBGZPJMESA-N	436.493	3.515	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O	10331121	VTENZUOCSXALAG-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
COC(=O)C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	17586974	ZXGOCTZXZOMTED-SFHVURJKSA-N	445.903	3.885	5	40	IHBB	
Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	58177734	IXNVUARYZHBUIT-NRFANRHFSA-N	447.495	3.703	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N(CCCCO)C1CC1	78998724	WYHHOSDNOMXKJB-UHFFFAOYSA-N	439.921	3.790	5	40	IHBB	
COC(=O)C[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F	96231668	BZNVFHXEUUOWFB-CYBMUJFWSA-N	435.358	3.727	5	40	IHBB	
C[C@@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	103491597	VOHZCDYWDYHEFK-IXAFZWLNSA-N	444.509	3.917	5	40	IHBB	
CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	223066617	QEICAPBAIRHHOW-VBHSOAQHSA-N	436.541	3.538	5	40	IHBB	
CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CC(C)(C)OC2	2266359	JQIFMBDPUZBBGT-UHFFFAOYSA-N	449.441	3.845	5	40	IHBB	
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	9257910	ASBGFCCZQDNNJR-UHFFFAOYSA-N	448.541	3.544	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(NC(C)=O)cc1	59099183	DQZCPVUVZFLADI-UHFFFAOYSA-N	440.485	3.562	5	40	IHBB	
Cc1c(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-]	217878660	IEYLFHNMBNZTJW-UHFFFAOYSA-N	431.246	3.988	5	40	IHBB	
CC(C)Oc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	222364707	VYVQAVNUSSYQRC-UHFFFAOYSA-N	435.502	3.567	5	40	IHBB	
CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	408673743	UQRNDDREEHPVGU-UHFFFAOYSA-N	444.440	3.537	5	40	IHBB	
CS(=O)(=O)c1ccc(Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c([N+](=O)[O-])c1	13121494	QVLMRJQGYRWNOP-UHFFFAOYSA-N	429.328	3.916	5	40	IHBB	
C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)N1c2ccccc2C[C@@H]1C	32950524	NOVFJOYNNXTEIP-IRXDYDNUSA-N	437.496	3.721	5	40	IHBB	
CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cccc([N+](=O)[O-])c1C	58083012	QTSMBZFJLKTVFY-UHFFFAOYSA-N	434.518	3.618	5	40	IHBB	
CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222540972	KPFTVVHFLGWFSP-FQEVSTJZSA-N	447.557	3.505	5	40	IHBB	
Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C	408850194	HWNNNPSZSIRVEY-KRWDZBQOSA-N	437.905	3.657	5	40	IHBB	
O=C(CCC(=O)OCCc1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	12137246	QEXMPYUXGRNKAP-UHFFFAOYSA-N	435.889	3.627	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1SC12CC3CC(CC(C3)C1)C2	15140886	QUZRBISTBARYSL-UHFFFAOYSA-N	438.571	3.677	5	40	IHBB	
Cc1cn(C[C@H](O)COc2ccc(Cl)cc2Cl)c(=O)n1-c1cccc([N+](=O)[O-])c1	58202009	FFYHPQBILYFJEC-INIZCTEOSA-N	438.267	3.602	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(F)(F)F	72310741	OWZLNOYNMRPORI-GOSISDBHSA-N	437.378	3.831	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1Cc1ccccc1	8757442	JZKWMYLBDZSCOC-VSKRKVRLSA-N	429.432	3.642	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1	13660932	BTYKVKZKPFZZEW-QHAWAJNXSA-N	433.395	3.785	5	40	IHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1	13843248	LLPYGOJWFOCFQR-UHFFFAOYSA-N	435.392	3.563	5	40	IHBB	
CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cc(C)ccc3nc21	100826823	FVIPWYAFLHHHSL-INIZCTEOSA-N	436.537	3.549	5	40	IHBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1	102754742	MOSFIMPGJSYNDM-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	214892487	OQIIZVNUUUUABQ-GIJQJNRQSA-N	430.438	3.857	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)Nc1ccccc1Cl	409220906	HOBIPSUFKDQMTO-OVCLIPMQSA-N	433.829	3.629	5	40	IHBB	
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1	803499	PVEQWSPNCJEJJK-UHFFFAOYSA-N	434.452	3.711	5	40	IHBB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccccn1	995930	MYDYMIMPXUHZEK-UHFFFAOYSA-N	432.465	3.968	5	40	IHBB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccc2c(c1)OCO2	12816934	MTCXVVLJOHEBBD-FQEVSTJZSA-N	439.424	3.820	5	40	IHBB	
CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C1CCCCC1	20488046	ZPWGLDTWMASKJY-UHFFFAOYSA-N	431.514	3.581	5	40	IHBB	
O=C1/C(=C/Nc2cccc([N+](=O)[O-])c2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2	89857690	HLUGDCMRTLPBRG-UDWIEESQSA-N	443.415	3.959	5	40	IHBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	103655613	MQHJEBNCZGHLRX-JDPPGYRCSA-N	426.311	3.767	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O	222506598	ATTRLRNQOXYZBX-KRWDZBQOSA-N	443.884	3.879	5	40	IHBB	
CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224787119	GZBORNRCEOMBKS-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
CCOc1c(Cl)cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl	408564031	CBLXWIRGHAOWMZ-UOXRKKOCSA-N	436.295	3.914	5	40	IHBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]	408673549	SVARSDJUIAYDLI-UHFFFAOYSA-N	434.832	3.792	5	40	IHBB	
O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F	409340920	CDYJHDARPOHLRY-NTUHNPAUSA-N	437.355	3.687	5	40	IHBB	
CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2Cc1ccccc1	2312930	HKTHHZSDDOECAN-UHFFFAOYSA-N	427.508	3.942	5	40	IHBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1	9714601	WECQZBZNFGZRFK-UHFFFAOYSA-N	439.497	3.843	5	40	IHBB	
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1N1CCOCC1	12554627	CQMYWGHKGRZRGG-OAHLLOKOSA-N	432.908	3.544	5	40	IHBB	
CN1CCN(c2ccc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])CC1	12594070	ARXXDQWGWRWAFT-UHFFFAOYSA-N	437.327	3.926	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@@H]1COc2ccccc2O1	34720525	DGLWRCXVNBWXAT-MRXNPFEDSA-N	441.465	3.648	5	40	IHBB	
CC(=O)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	409177002	AIBZVRAXVYSMNW-UHFFFAOYSA-N	425.418	3.849	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1	409181246	AFGSWJBERZUREM-UHFFFAOYSA-N	426.135	3.531	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(F)cc1	9459760	WHVDSSFOLVXIRF-NJDAHSKKSA-N	433.395	3.785	5	40	IHBB	
COc1cc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc(OC)c1OC	15137096	WHJUYCRZFLFNDE-HNNXBMFYSA-N	443.500	3.787	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nnc2ccc(C(F)(F)F)cn12	32903494	ZVBJEZIHDYFKMS-UHFFFAOYSA-N	441.391	3.786	5	40	IHBB	
CCc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	222758181	AKWQCOSPLJHTNG-INIZCTEOSA-N	433.530	3.581	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1Cl	409182387	KXNGTSHSEKJIAM-FRKPEAEDSA-N	447.856	3.937	5	40	IHBB	
O=[N+]([O-])c1ccc(Cn2cc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)c3ccccc32)cc1	409330062	JHRBLFMUFLCOTB-JXMROGBWSA-N	433.380	3.878	5	40	IHBB	
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCOC)c(C)nc32)cc1	2323986	FARAOPJPHZFZND-UHFFFAOYSA-N	429.480	3.637	5	40	IHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1	2413441	QOORHXFLLSYWGU-UHFFFAOYSA-N	429.480	3.719	5	40	IHBB	
Cc1nn(CC(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c(C)c1[N+](=O)[O-]	3414336	GFARCDHEOWUDIM-QFIPXVFZSA-N	441.415	3.898	5	40	IHBB	
CC(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c1	12401207	NEQHJCYWEBQXBB-QGZVFWFLSA-N	433.848	3.789	5	40	IHBB	
O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1	20508562	JDYNUBGDNAMMPG-WUXMJOGZSA-N	446.463	3.802	5	40	IHBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O	95929418	VMGHFEPARZEFKE-JOCHJYFZSA-N	443.463	3.865	5	40	IHBB	
CC(=O)Nc1nc(C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])cs1	96013367	ZJMWJLQFBWLGJV-ZDUSSCGKSA-N	442.291	3.817	5	40	IHBB	
CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	223066746	QEICAPBAIRHHOW-LXIYXOSZSA-N	436.541	3.538	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	223984087	LKBVCFOEDZAQNG-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260935051	OJUVNMMQBZKZPR-CVEARBPZSA-N	445.541	3.506	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408679834	FKCZSWBDBKWNTB-KDURUIRLSA-N	441.871	3.981	5	40	IHBB	
COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	14082996	OFEUADUBXDXTKQ-UHFFFAOYSA-N	433.877	3.783	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	102761013	LEDCWLZFYZHCKR-HKBOAZHASA-N	433.395	3.785	5	40	IHBB	
COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc([N+](=O)[O-])c2)cc1OC	9667701	ISWOXSFFOMLGEW-UHFFFAOYSA-N	449.423	3.764	5	40	IHBB	
O=[N+]([O-])c1ccc(Sc2nc3cc(F)c(F)cc3[nH]2)c(S(=O)(=O)N2CCCC2)c1	12736784	VSSLWZHUMYDHIC-UHFFFAOYSA-N	440.453	3.685	5	40	IHBB	
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(Br)c2)NC(=O)N1	13988043	YHUGDMONDILIJE-INIZCTEOSA-N	431.246	3.624	5	40	IHBB	
C[C@@H](c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	40157198	IVAGJSUSKLGNSK-KRWDZBQOSA-N	425.510	3.816	5	40	IHBB	
O=C(Nc1nc(Oc2ccc([N+](=O)[O-])cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	103444110	INMARRMQRJIRSE-UHFFFAOYSA-N	431.342	3.912	5	40	IHBB	
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1	223320020	XFFRQQOMRJNGIN-VLCRHTCISA-N	449.536	3.932	5	40	IHBB	
Cc1cc(OCc2ccc(/C=C3/N=C(S)N(C[C@@H]4CCCO4)C3=O)o2)ccc1[N+](=O)[O-]	2804774	ZBRFSIWDDZGTIA-HKJBKDEOSA-N	443.481	3.723	5	40	IHBB	
CC1CCN(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	9581164	KXHJLGWENMWQDF-UHFFFAOYSA-N	444.871	3.895	5	40	IHBB	
O=C(NC[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1	58218582	YOTHSPHPMJWGEI-INIZCTEOSA-N	443.479	3.596	5	40	IHBB	
Cc1ccccc1-n1c(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])nc2ccccc2c1=O	2665251	KSCSHARSBGFYMG-UHFFFAOYSA-N	432.461	3.852	5	40	IHBB	
O=C(Cc1cc(CC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1	3845099	DMRGNUJGINPNKJ-UHFFFAOYSA-N	434.408	3.865	5	40	IHBB	biogenic
O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1nnc(-c2cccs2)o1	9493945	YIEZFLRNNLXBLI-UHFFFAOYSA-N	428.348	3.880	5	40	IHBB	
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	12977066	WUTMOUQKYXJPQQ-UHFFFAOYSA-N	426.256	3.839	5	40	IHBB	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cccc([N+](=O)[O-])c1C	13069726	RUHPHZYLGJGXGR-UHFFFAOYSA-N	438.406	3.821	5	40	IHBB	
CC(C)(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1	16742121	JMSSKTDYPYYUCI-FQEVSTJZSA-N	430.526	3.722	5	40	IHBB	
Cc1c(Cl)cccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222361907	JGYOZRZXSPZFSW-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1	223320284	XRYVWVRGNHPBNC-BWAGFHJFSA-N	449.536	3.932	5	40	IHBB	
Cn1c(=O)n(C)c2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21	408578886	WINQXFSIYOBDCK-XSFVSMFZSA-N	428.448	3.965	5	40	IHBB	
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9190273	FQLMFMWIEDTVQW-UHFFFAOYSA-N	430.892	3.937	5	40	IHBB	
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	10218269	DIBBBAHTJRGVNP-UHFFFAOYSA-N	431.495	3.911	5	40	IHBB	
CCOc1ccc(N2C[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)cc1	10904266	MNGNNZHFXABAKU-HNNXBMFYSA-N	431.876	3.658	5	40	IHBB	
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	14426896	IHEUCAVAFMDFCF-UHFFFAOYSA-N	437.905	3.596	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2C)n1C	33662436	CWSTWXHOXDHLCA-UHFFFAOYSA-N	427.486	3.650	5	40	IHBB	
CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	33740033	YEHZTAJNILNVLN-UHFFFAOYSA-N	428.470	3.769	5	40	IHBB	
CCOc1cc(CO)cc(I)c1OCc1cccc([N+](=O)[O-])c1	34772893	NOGGCYNTCYUNHT-UHFFFAOYSA-N	429.210	3.669	5	40	IHBB	
COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1F	95978343	ONFBKGZGYSXYEJ-UHFFFAOYSA-N	433.783	3.624	5	40	IHBB	
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N(C)S(=O)(=O)c1ccccc1	224194076	VMGATGIIGBNPDS-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
Cc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	409176756	WSGISWKATPXJDP-UHFFFAOYSA-N	439.445	3.776	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1	8601903	IQROHGNVYMOSDW-FQEVSTJZSA-N	433.436	3.777	5	40	IHBB	aggregator
O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1[N+](=O)[O-]	9355902	NASMOFZYSARZCU-UHFFFAOYSA-N	440.459	3.970	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c([N+](=O)[O-])c1	9988351	YZQLHWIOSMOQCR-UHFFFAOYSA-N	428.257	3.684	5	40	IHBB	
Cc1nc(CCNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])c(C)o1	89548052	ANGPRPMUJSHZCZ-UHFFFAOYSA-N	436.534	3.711	5	40	IHBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1Cl	408658443	VAMKJEPYOKXBBL-NSHDSACASA-N	437.235	3.681	5	40	IHBB	
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1ccc([N+](=O)[O-])cc1	10233236	WWNRIMIUFYBYRY-QGZVFWFLSA-N	435.417	3.916	5	40	IHBB	
O=C(O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)s1	96792194	MOKFIOJEBACJGW-FMIVXFBMSA-N	442.902	3.719	5	40	IHBB	
CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	223465422	BBKWIBIAVFVGFZ-OXQOHEQNSA-N	447.557	3.888	5	40	IHBB	
C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F	3443561	XMHISVYXUHQDBN-LLVKDONJSA-N	443.353	3.617	5	40	IHBB	
Cc1nnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nc1O	13637685	CJRABECWDFUGGD-OAHLLOKOSA-N	431.861	3.919	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C	15243971	MVJSQPMQJHETIU-UHFFFAOYSA-N	441.513	3.997	5	40	IHBB	
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1	15470976	PEAGSAJXDOJWTF-UHFFFAOYSA-N	440.500	3.695	5	40	IHBB	
Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)cc1	15881995	KCLKALGLJZZLGA-IBGZPJMESA-N	430.507	3.910	5	40	IHBB	
C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57460468	WADBDVCFFQOIIO-CQSZACIVSA-N	441.438	3.570	5	40	IHBB	
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)cc1[N+](=O)[O-]	205910635	WWCHLVUGKYUEEX-WOJGMQOQSA-N	441.465	3.822	5	40	IHBB	
CCc1cccc(C)c1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222375546	CNNYFFRJKTYMFH-UHFFFAOYSA-N	433.530	3.959	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223483288	GTDZHQAEWXZFLE-UWJYYQICSA-N	447.557	3.942	5	40	IHBB	
COc1cc(/C=C/C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OC(F)F	2658374	AUUUDBINXNCBTJ-XVNBXDOJSA-N	440.330	3.539	5	40	IHBB	
Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1NC(=O)c1ccco1	3337077	ANXLOGMDCLEXPG-UHFFFAOYSA-N	438.392	3.972	5	40	IHBB	
O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14269952	HBULSEJFLXMNTM-UHFFFAOYSA-N	448.888	3.673	5	40	IHBB	
CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])c1	15166410	JMMWLTIHNGATIQ-UHFFFAOYSA-N	433.486	3.766	5	40	IHBB	
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1	96786952	SCCPQDAGFFQDBE-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260507801	OPBNIELTEXJZAB-XLIONFOSSA-N	447.557	3.942	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2F)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565207	IWPFYMJMYPYIRB-DVKBMCPXSA-N	447.466	3.927	5	40	IHBB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1	408604777	IEDLOJBHUIVVGG-UHFFFAOYSA-N	441.465	3.792	5	40	IHBB	
CCCCSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1	9369050	YRQRRCREIXHDTF-UHFFFAOYSA-N	425.514	3.927	5	40	IHBB	
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1	12729232	REEGMMBVCQIHLN-UHFFFAOYSA-N	438.509	3.685	5	40	IHBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1	19928854	VWQPHEVDWKTHFH-UHFFFAOYSA-N	443.485	3.621	5	40	IHBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O	409067279	CFXKKOYSIJBWGJ-VBEHJTROSA-N	442.449	3.772	5	40	IHBB	
C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	10111921	IGVFPPIHNFGNIW-HNNXBMFYSA-N	433.530	3.536	5	40	IHBB	
O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	11565811	SZSJJQWRPTZCGU-UHFFFAOYSA-N	448.262	3.970	5	40	IHBB	
C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1	13591062	YASQTVJBZQNORK-CQSZACIVSA-N	433.416	3.872	5	40	IHBB	
CC(C)OC(=O)C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	49590274	WZKUQENNEDXQCG-SFHVURJKSA-N	430.432	3.896	5	40	IHBB	
Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1	408609930	PLAZGOSDUCHHOW-LJQANCHMSA-N	445.903	3.921	5	40	IHBB	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCCC1	19162881	XSBWCBAJIIJPBG-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCCc2cn[nH]c2C)c([N+](=O)[O-])c1	24204765	VSPOKPPIGUTWQU-UHFFFAOYSA-N	443.529	3.886	5	40	IHBB	
Cc1ccc([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	222378078	HQNRVMZRVRJJPS-KRWDZBQOSA-N	433.530	3.635	5	40	IHBB	
Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	4157004	HREUITVFBQUKJS-UHFFFAOYSA-N	444.399	3.744	5	40	IHBB	
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	9668243	CZKDWFLRMZJQLI-UHFFFAOYSA-N	435.845	3.716	5	40	IHBB	
COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	9908660	XHANHHYQIZMAMG-SNVBAGLBSA-N	426.256	3.517	5	40	IHBB	
CC(C)(C)c1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	10313938	DCVYTHMDHMJULC-UHFFFAOYSA-N	439.921	3.950	5	40	IHBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1nc2ccccc2[nH]1	16309545	PRCIRFMYDMRZTA-GOSISDBHSA-N	435.440	3.523	5	40	IHBB	
CCc1ccc([C@H](C)NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	223465478	BBKWIBIAVFVGFZ-OXJNMPFZSA-N	447.557	3.888	5	40	IHBB	
COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1	224060484	FIIJXEXUMBJVDE-UHFFFAOYSA-N	441.465	3.965	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408564426	CTZLCAYQFSRUGT-QFZRFWILSA-N	429.476	3.788	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1	409127644	FAEROVBQLNQAGI-UHFFFAOYSA-N	448.302	3.884	5	40	IHBB	
Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1	862129	SINZXTLDIYHPOJ-UHFFFAOYSA-N	426.502	3.683	5	40	IHBB	
NC(=O)c1c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)sc2c1CCC2	2619961	QJECWDXUTDHUHT-UHFFFAOYSA-N	434.524	3.584	5	40	IHBB	
Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	16250190	LONFDYIYUBETKJ-UHFFFAOYSA-N	439.493	3.733	5	40	IHBB	
COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	16517544	IMQRIVGCHNFSJX-SFHVURJKSA-N	445.815	3.695	5	40	IHBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	101155888	MOSFIMPGJSYNDM-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
CCCCc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	9064677	JYHPHKUSCIMAFB-UHFFFAOYSA-N	442.541	3.901	5	40	IHBB	
CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc21	12561997	WBTFPWBKTGZGFS-NSHDSACASA-N	436.390	3.962	5	40	IHBB	
O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1	13005218	UFASHHWXAZTKBB-SNVBAGLBSA-N	427.310	3.624	5	40	IHBB	
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])c(OC)c1	408553132	ODTHHWVGFGVZOS-UHFFFAOYSA-N	443.485	3.525	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1cccc(F)c1	408563532	AXAVPMJNMKYSAP-POIRLRRGSA-N	447.466	3.973	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408566360	NRRFMMNDTYKTEA-JHMXWDHMSA-N	447.466	3.927	5	40	IHBB	
COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1OC	408713894	CCVYFIRRJSMRKL-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
CCOC(=O)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccc(F)cc2)c1C	13004029	ZJFXGHMPSFOODB-FQEVSTJZSA-N	440.431	3.571	5	40	IHBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O	409067277	CFXKKOYSIJBWGJ-FHXOWUIVSA-N	442.449	3.772	5	40	IHBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1	9226713	ZOBSCQJZVLFKJR-QGZVFWFLSA-N	433.464	3.973	5	40	IHBB	
COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)cc1	9316621	BCYWHKQYAOCQSM-UHFFFAOYSA-N	430.420	3.922	5	40	IHBB	
Cc1cc(C)c(NC(=O)CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	12523186	WXJGXIAAXWKLKZ-UHFFFAOYSA-N	445.419	3.864	5	40	IHBB	
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cccc1C(=O)O	20153210	BVJOFVBCKAHIPU-UHFFFAOYSA-N	442.497	3.719	5	40	IHBB	
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1	56945460	MAMHPDUEKLLMDC-NRFANRHFSA-N	438.459	3.620	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1	72313923	PUHYDEUYLPJYDX-UNMCSNQZSA-N	445.541	3.958	5	40	IHBB	
CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224779442	BIJZCRBGSBZLRW-UHFFFAOYSA-N	426.878	3.623	5	40	IHBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	9357190	LEDCWLZFYZHCKR-NJDAHSKKSA-N	433.395	3.785	5	40	IHBB	
Cc1cc(=O)n2c(n1)NC(Nc1cccc(C(F)(F)F)c1)=N[C@@H]2c1cccc([N+](=O)[O-])c1	105330239	DHCOGLDJSQFDKJ-KRWDZBQOSA-N	444.373	3.919	5	40	IHBB	
CCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O	409361178	QRELYKXDJZIBEX-YVLHZVERSA-N	448.478	3.727	5	40	IHBB	
O=C(Oc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1)c1cccc([N+](=O)[O-])c1	2887474	OKVBKADULDBNGG-UHFFFAOYSA-N	436.420	3.983	5	40	IHBB	
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Sc2nnnn2C)c([N+](=O)[O-])c1	9125153	ZNNRNTHCYBEWLL-UHFFFAOYSA-N	442.501	3.828	5	40	IHBB	
Cc1oc(-c2cccs2)nc1COC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	10722174	SDFFXZDVPPQKOV-UHFFFAOYSA-N	429.454	3.813	5	40	IHBB	
COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224745356	NSTZFFWHDFUWJS-UHFFFAOYSA-N	442.449	3.755	5	40	IHBB	
COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1	409012448	IDSSTBOZTACZJR-UHFFFAOYSA-N	428.470	3.893	5	40	IHBB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O	409202043	OEYIMZDXSJHLCQ-XWAFYUISSA-N	443.481	3.823	5	40	IHBB	
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)nc21	2215985	PODZDTLMYFWFSJ-UHFFFAOYSA-N	438.443	3.872	5	40	IHBB	
COc1ccc(NC(=O)[C@@H](C)Sc2nnc3ccc(C(F)(F)F)cn23)c([N+](=O)[O-])c1	24146271	KAGBRMREILCDGN-SECBINFHSA-N	441.391	3.784	5	40	IHBB	
CCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	58158756	NCTGKQIBRLODDS-OAHLLOKOSA-N	432.908	3.796	5	40	IHBB	
CN1C(=O)[C@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21	95929397	NMJRGNIBOOEVDL-NRFANRHFSA-N	447.426	3.696	5	40	IHBB	
O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F	2634126	KEMAETCDFSDMGW-UHFFFAOYSA-N	437.840	3.815	5	40	IHBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2/c(=N/c3ccc(F)cc3)n(-c3ccc(F)cc3)n(O)c2c1	3165215	PEWORIGWAYNVCO-QOCHGBHMSA-N	427.323	3.996	5	40	IHBB	
CCCOC(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1	3449623	JIVPWNWRDRBRMJ-UHFFFAOYSA-N	441.469	3.694	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1	9703792	GFXYXNORFIXGIH-STQMWFEESA-N	448.405	3.872	5	40	IHBB	
Cc1ccc(C(=O)O)cc1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	12650984	ANYBJPKTDINVDI-UHFFFAOYSA-N	433.486	3.910	5	40	IHBB	
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccccc1F	100830545	NHZSZGDVBIEKJZ-CTNGQTDRSA-N	430.395	3.516	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102718617	MNUHBILPENDACX-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1Cl	108950170	RRWJAXLIOKKTCK-LZYBPNLTSA-N	447.856	3.932	5	40	IHBB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1C	604483847	RETVGUAEVRDQQT-KRWDZBQOSA-N	429.542	3.816	5	40	IHBB	
NC(=O)c1c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)sc2c1CCCCCC2	2767919	RDPIDMBSZNRSNG-UHFFFAOYSA-N	443.485	3.504	5	40	IHBB	
Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2sc3c(c2c1=O)CCCC3	12614551	HLOLYKYGKJPNHL-UHFFFAOYSA-N	448.501	3.652	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	14630042	ICICSGCOLMZZHQ-UHFFFAOYSA-N	435.736	3.906	5	40	IHBB	
Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C3CCCCC3)c2=N)cc1	101153509	VKGPRIMGTBLMOS-UHFFFAOYSA-N	441.535	3.872	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	224424592	XMYHJWZXMSBKHL-UHFFFAOYSA-N	439.493	3.976	5	40	IHBB	
CCN(c1ccc(I)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225077264	KTBDAYCBSBOWHE-UHFFFAOYSA-N	446.266	3.723	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1	408568095	HPWNXLOKVIVRFF-XNHCRPTKSA-N	429.476	3.834	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(F)cc2)cc1	408571781	PLYWFXMIIDLRJZ-POIRLRRGSA-N	447.466	3.973	5	40	IHBB	
CCC(=O)Oc1cn(CCCN2CCCC2=O)c2nc(CC)n3c4ccccc4nc3c12	8871211	ARFKAJDORSQXMR-UHFFFAOYSA-N	433.512	3.728	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12	20589119	LIUYHHHECMEOLP-NYQDVAGCSA-N	446.438	3.505	5	40	IHBB	
Cc1[nH]c2ccc(C(=O)N3CCCN(c4nc5cc([N+](=O)[O-])ccc5[nH]4)CC3)cc2c1C	97115128	VCCUSLITZGJOMW-UHFFFAOYSA-N	432.484	3.922	5	40	IHBB	
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	100963482	SJZVHCSHLUOAHU-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1	205780554	NYYWIKGGQDTAIN-RQZCQDPDSA-N	446.437	3.851	5	40	IHBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O	409067899	QNTWAOCZQZKZBI-VBEHJTROSA-N	442.449	3.772	5	40	IHBB	
Cc1ccccc1OCC(=O)Nc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	3014128	OETRQQGPYSDSPP-UHFFFAOYSA-N	431.404	3.721	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)c1	9064656	NMPORXUIJIRJSY-UHFFFAOYSA-N	444.513	3.729	5	40	IHBB	
O=C(NCc1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	9369258	PRYUTOBBVZLKQV-UHFFFAOYSA-N	434.275	3.531	5	40	IHBB	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	9465285	CDIROTNGXNGMJL-UHFFFAOYSA-N	438.406	3.525	5	40	IHBB	
COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	9506978	BFMTYRDQNWAKNQ-LLVKDONJSA-N	448.328	3.827	5	40	IHBB	
CCCOc1ccc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1OC	9544497	SIACRSMAZNVOGE-UHFFFAOYSA-N	432.429	3.505	5	40	IHBB	
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102718619	MNUHBILPENDACX-BHIFYINESA-N	429.432	3.954	5	40	IHBB	
O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccco1	3253902	IJYAMRKBDPNVTH-UHFFFAOYSA-N	442.811	3.545	5	40	IHBB	
O=C(Cn1cc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCCC1	9519724	YMHNICIYCIBTEX-UHFFFAOYSA-N	441.509	3.536	5	40	IHBB	
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	9546291	AQALZKGNKCXMOH-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
Cc1cccc(-c2nc3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)c1	13513654	RITQBDKSHNJPFH-UNOMPAQXSA-N	430.445	3.842	5	40	IHBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	224210609	SUZTXNOUAAUBJT-INIZCTEOSA-N	431.920	3.980	5	40	IHBB	
CCc1ccc(NC(=O)[C@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1	9724011	JWNKSXJXRUCJCQ-HNNXBMFYSA-N	449.529	3.594	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O	10276044	OUBGBRVNCUVIOW-INIZCTEOSA-N	447.557	3.844	5	40	IHBB	
CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	14122420	CNFQRQKHCQJQHP-UHFFFAOYSA-N	427.486	3.824	5	40	IHBB	
CC(C)C(=O)Nc1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)c1	32114578	KRSAYZFTUYEPCE-UHFFFAOYSA-N	436.262	3.969	5	40	IHBB	
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1	96786949	SCCPQDAGFFQDBE-BDTNDASRSA-N	445.431	3.655	5	40	IHBB	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1	628605	VEGCMRRTCKDGEJ-YCRPNKLZSA-N	434.452	3.956	5	40	IHBB	
COCCNC(=O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccc(C)cc1	2318991	FULOOTBSJAVIDC-HMMYKYKNSA-N	449.463	3.697	5	40	IHBB	
O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	15881984	BCAADLVVVJCDHF-GOSISDBHSA-N	434.857	3.786	5	40	IHBB	
O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Br	17101954	ATUSXOCODGWCBS-UHFFFAOYSA-N	438.347	3.930	5	40	IHBB	
CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1	26116292	BKKJSVAXVLKSFX-UHFFFAOYSA-N	435.527	3.744	5	40	IHBB	
CCN(CC)CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	32962518	HHRXLSMZXMLORC-UHFFFAOYSA-N	430.471	3.678	5	40	IHBB	
Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])ccc12	89568509	NNQNPHXIHVNWOQ-UHFFFAOYSA-N	444.465	3.977	5	40	IHBB	
CN1CCN(c2ccc(C(=O)N[C@@]34C[C@@H]5C[C@@](C)(C[C@@](C)(C5)C3)C4)cc2[N+](=O)[O-])CC1	217943269	USSACIZHIQBDOP-XSAWPFNUSA-N	426.561	3.825	5	40	IHBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-]	9190309	QVDSFNUCUQFPPJ-UHFFFAOYSA-N	430.464	3.810	5	40	IHBB	
CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	9707666	CEAHEDXVSVYFNW-UHFFFAOYSA-N	444.450	3.515	5	40	IHBB	
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1	12630253	PWLNURZZSIKGEE-UHFFFAOYSA-N	447.494	3.543	5	40	IHBB	
Cc1cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c([N+](=O)[O-])cc1C	33655019	PVFRBPXWYTVBHK-UHFFFAOYSA-N	432.893	3.568	5	40	IHBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1	40069679	TYYIRNICFRSZCM-ZFWWWQNUSA-N	446.301	3.930	5	40	IHBB	
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1ccccc1	2459584	KWGKEKHLHKXYCV-UHFFFAOYSA-N	440.506	3.520	5	40	IHBB	
Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1	9846251	KNUVIOBZFZLTGI-UHFFFAOYSA-N	437.418	3.958	5	40	IHBB	
O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	10727535	FRQFZPLSAAUKSS-UHFFFAOYSA-N	437.496	3.717	5	40	IHBB	
O=C(CSc1nccn1-c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	12741897	DJYAHEORCHRPBJ-UHFFFAOYSA-N	426.454	3.673	5	40	IHBB	
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12883668	DJUXKJIFFGNFHX-QGZVFWFLSA-N	441.868	3.569	5	40	IHBB	
CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	14273659	AZXQXKAIUPIOPR-UHFFFAOYSA-N	443.935	3.853	5	40	IHBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)c1	18043381	SCCPQDAGFFQDBE-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccccc3)C2=O)cc1	102739899	AYUSIIUDFYQHOF-FDFHNCONSA-N	429.432	3.954	5	40	IHBB	
COc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1[N+](=O)[O-]	219823415	PFZHNDZODDVABZ-UHFFFAOYSA-N	427.457	3.637	5	40	IHBB	
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1	223320124	XFFRQQOMRJNGIN-YUXAGFNASA-N	449.536	3.932	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1cccc2ccccc12)S(C)(=O)=O	260840393	UTSVZYIOGNQKSF-MRXNPFEDSA-N	441.509	3.527	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccc(C)c1	8877143	BDVKOGBEUTYLMT-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)co1	9716507	LSGURSRVEJFRJP-HNNXBMFYSA-N	435.436	3.517	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260508255	QHUFISSFCLLCDX-YLJYHZDGSA-N	447.557	3.585	5	40	IHBB	
COCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21	2246939	PUIDQINBGQPCCF-UHFFFAOYSA-N	433.899	3.951	5	40	IHBB	
Cc1cc(=O)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-]	9318115	RSJBRQDPXSXAOR-UHFFFAOYSA-N	434.330	3.600	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12	9465250	GXTAHJFLKDLIDF-UHFFFAOYSA-N	428.257	3.684	5	40	IHBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc3ccccc3c3nncn23)CC1	16525572	GBUHEZGGFAYHRO-UHFFFAOYSA-N	443.389	3.531	5	40	IHBB	
C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	31535834	JMPZNXVMOPKLQX-AWEZNQCLSA-N	441.875	3.817	5	40	IHBB	
O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1[N+](=O)[O-]	57327921	QBNWHJGPLBTQRS-UHFFFAOYSA-N	433.449	3.603	5	40	IHBB	
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(=N)n3C3CCCC3)c(=O)n2c1	100895263	KHIYVBYBYPCHCI-UHFFFAOYSA-N	441.535	3.525	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	101094268	PPRKBCRKRWLLLW-BIPCEHGGSA-N	430.420	3.847	5	40	IHBB	
Cc1c(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220037937	MLHSHXWVHMATET-UHFFFAOYSA-N	447.557	3.542	5	40	IHBB	
O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	8455298	WDDIVRPRFZFAGX-UHFFFAOYSA-N	436.472	3.807	5	40	IHBB	
CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1	9327875	NSOWBBNHRUJRGN-UHFFFAOYSA-N	427.486	3.688	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCCC1	106769762	TZJWVGCFKYTPHF-MLPAPPSSSA-N	430.269	3.560	5	40	IHBB	
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCN(C(=O)OCC)C2	9347582	DEYKUYMCGMELLP-UHFFFAOYSA-N	447.469	3.600	5	40	IHBB	
C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	12522175	YPXBPRXCWWLHOT-CABCVRRESA-N	434.899	3.775	5	40	IHBB	
COC(=O)c1ccc(/C=C/C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1	12724936	ZVNSJAKIBHBNAQ-VMPITWQZSA-N	437.351	3.748	5	40	IHBB	
CC(C)c1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	22400384	RZZKTDHXPNNBQS-UHFFFAOYSA-N	425.894	3.776	5	40	IHBB	
CN(Cc1cnn(C)c1)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	24476883	HEVYVSHINYRFGO-UHFFFAOYSA-N	427.848	3.506	5	40	IHBB	
COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl	33248193	FSHFPFCUUWYLTP-VURMDHGXSA-N	429.816	3.795	5	40	IHBB	
Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)cc1C	17207474	OLXADRKCIAIKLU-UHFFFAOYSA-N	433.516	3.650	5	40	IHBB	
CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	58158755	NCTGKQIBRLODDS-HNNXBMFYSA-N	432.908	3.796	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1	101192047	QYGAIPNYDYKXHJ-FSSWDIPSSA-N	429.432	3.954	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223331221	JATOWZWYZVRRRW-KRWDZBQOSA-N	438.311	3.998	5	40	IHBB	
COc1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)c([N+](=O)[O-])c1	409175121	QEESDABEHRMEAQ-UHFFFAOYSA-N	430.442	3.649	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)c(Br)c1	409347725	QZJVWMVMOOGYIU-UTCJRWHESA-N	449.173	3.897	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1C	6443443	INJMIULOOMSRLJ-UHFFFAOYSA-N	440.529	3.991	5	40	IHBB	
O=C1C[C@H](C(F)(F)F)N(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2N1	21315259	QJSAIZGQPYCULI-OAHLLOKOSA-N	443.765	3.933	5	40	IHBB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1	223067427	GHDBVTOGHUKKIN-RTWAWAEBSA-N	437.525	3.790	5	40	IHBB	
CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409215814	FNFOOPCMHARSIR-BOPFTXTBSA-N	429.454	3.807	5	40	IHBB	
Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-]	17101982	HIIOGHFOPGIDGC-UHFFFAOYSA-N	438.362	3.793	5	40	IHBB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1	19929260	BCQIAHSQEMSWDH-UHFFFAOYSA-N	447.860	3.987	5	40	IHBB	
COc1cccc(-c2c[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)c1	79105666	MTXAESZXDFILHW-IBGZPJMESA-N	442.497	3.828	5	40	IHBB	
CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	409248674	HWWSJKHJZBIPIB-MHWRWJLKSA-N	446.257	3.849	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21	1547208798	QDQJBHNRFUPYAW-FQCWUYQVSA-N	434.540	3.971	5	40	IHBB	
O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	19630086	GZBTYOSREDPBAK-UHFFFAOYSA-N	439.541	3.922	5	40	IHBB	
CCOC(=O)C1=C(COc2ccc([N+](=O)[O-])cc2)N(CC)C(=O)N[C@@H]1c1ccccc1	28631998	HIVATAZMZDMLPI-HXUWFJFHSA-N	425.441	3.577	5	40	IHBB	
Cc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C)cc5)c(=O)c5ccc(c2=O)c3c45)cc1	830268	ZCALPDVLWYDXNO-UHFFFAOYSA-N	446.462	3.661	5	40	IHBB	
CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)sc2c1CC[C@@H](C)C2	2601670	WRHSXHWLUBEBFJ-GFCCVEGCSA-N	434.518	3.882	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1	3263448	UNKMEOKELVVUFF-LBPRGKRZSA-N	429.454	3.716	5	40	IHBB	
CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1	4089571	QFMHKRROMZNNFO-UHFFFAOYSA-N	430.486	3.859	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O	9186600	WEIYMNDMKCDMTF-UHFFFAOYSA-N	443.371	3.572	5	40	IHBB	
CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	9373131	FETGJMZHZLYGMV-UHFFFAOYSA-N	441.484	3.524	5	40	IHBB	
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1	10218313	LWNUACZWHYZFRL-UHFFFAOYSA-N	437.524	3.972	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	13302413	RPJNJMNVYGVBTM-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(Cc2cccnc2)CC1	40071560	KCNDVCXKRWLXAL-UHFFFAOYSA-N	428.290	3.623	5	40	IHBB	
Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1	9546083	VIVJNIGGHGOZKS-UHFFFAOYSA-N	443.481	3.878	5	40	IHBB	
COC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	12858877	YDSZNGKUUCTFLZ-KRWDZBQOSA-N	445.815	3.664	5	40	IHBB	
COc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1OC	16784732	IVUPTFRJVAIWCN-CQSZACIVSA-N	440.456	3.814	5	40	IHBB	
CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccccc2[N+](=O)[O-])cc1	17099474	BYTQVEVWBAFNIU-UHFFFAOYSA-N	435.436	3.779	5	40	IHBB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1	40717512	HMSDGYYGBXCSOS-KPKJPENVSA-N	436.512	3.941	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1n[nH]cc1-c1ccccc1Br	89591318	JYUCTIBQEAMATE-UHFFFAOYSA-N	437.275	3.857	5	40	IHBB	
Cn1ccnc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1	89761497	NMYRIBPGRHXKDT-UHFFFAOYSA-N	437.275	3.559	5	40	IHBB	
CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225682829	RKCBVTCIPDNGJI-SFHVURJKSA-N	443.569	3.812	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1Cc1ccccc1	8757438	JZKWMYLBDZSCOC-FKBYEOEOSA-N	429.432	3.642	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1	9227544	JXPSAKSCGDXKOG-UHFFFAOYSA-N	449.876	3.781	5	40	IHBB	
C[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1	12539102	YKNCBSMJJVEPBW-INIZCTEOSA-N	443.475	3.928	5	40	IHBB	
O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2c3c(c1)CC(=O)N3CCC2	13016767	WKBLSDZFGXKBBA-UHFFFAOYSA-N	446.415	3.730	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1	15271352	HEYQLCXXJVKBBN-UHFFFAOYSA-N	445.428	3.796	5	40	IHBB	
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1	89404500	KIDVLGVQZFKSOB-UHFFFAOYSA-N	449.666	3.598	5	40	IHBB	
Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1	409353636	OSVVTZOYNJAAON-RQZCQDPDSA-N	427.438	3.592	5	40	IHBB	
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2cc(C)on2)n1	3279793	GNSKHBGMYMSSIB-UHFFFAOYSA-N	434.455	3.603	5	40	IHBB	
Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)cc1[N+](=O)[O-]	9369137	MZHCBQHDVLCVLB-UHFFFAOYSA-N	447.473	3.877	5	40	IHBB	
O=c1ccc2ccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cc2o1	12533571	NABQTXODTPDRKU-UHFFFAOYSA-N	430.438	3.668	5	40	IHBB	
CSc1ccc(C(=O)NCC(=O)NCCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	13133710	MFAGZWUATQQYJK-UHFFFAOYSA-N	442.324	3.712	5	40	IHBB	
CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	19638021	OJAIBJYVECJRQB-UHFFFAOYSA-N	443.485	3.525	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2ccccc2s1	22998150	QNFPEAVYXBNANY-CMDGGOBGSA-N	438.509	3.583	5	40	IHBB	
CSc1ncc(Cl)c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	29545042	FOCQWQOCAFLAGA-UHFFFAOYSA-N	435.815	3.621	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O	220390118	PZJSSAQSOQJEQV-GFCCVEGCSA-N	445.419	3.715	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O	222807072	QCGQZZKNIKWNNL-INIZCTEOSA-N	441.509	3.527	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	229660467	AVKPDODUWHDKSE-WOZUAGRISA-N	445.475	3.725	5	40	IHBB	
Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-]	408654986	RCANHVUJGWENBY-DZGCQCFKSA-N	430.844	3.724	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	408679835	FKCZSWBDBKWNTB-OALUTQOASA-N	441.871	3.981	5	40	IHBB	
O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc([N+](=O)[O-])cc1Cl	10186638	PKYWWQIRRWHPPU-UHFFFAOYSA-N	439.859	3.794	5	40	IHBB	
Cc1nn(Cc2c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)noc2C)c(C)c1[N+](=O)[O-]	19642776	XOAWXSFPVYSMPP-UHFFFAOYSA-N	445.304	3.701	5	40	IHBB	
O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccccc1	19644472	XDDUVZNTOLOUGW-UHFFFAOYSA-N	446.463	3.936	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2C)CC1=O	408639409	GCRAUUUZAQAKJW-GFCCVEGCSA-N	448.273	3.666	5	40	IHBB	
O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl	3302649	ULJMZGKXEIDKTG-SNAWJCMRSA-N	429.738	3.857	5	40	IHBB	
COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O	4010307	ZGJQSPINOPAOTC-VSKRKVRLSA-N	445.431	3.655	5	40	IHBB	
CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCCO3	10068213	NXIUTMSOSWSBTP-UHFFFAOYSA-N	448.526	3.636	5	40	IHBB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	16035744	LXBPRGBFEOMIHY-WMZOPIPTSA-N	444.944	3.879	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	16323444	YETHYBJAHMWWJS-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1	40153068	GGSMHQXAWZUDDT-LJQANCHMSA-N	428.876	3.533	5	40	IHBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)N[C@@H]2Cc1ccccc1	100210648	OYYRYRGCYOYKDO-LUKWVAJMSA-N	427.460	3.656	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1F	408571959	QBPOLNFWVSFUHL-LPVCTFIXSA-N	447.466	3.973	5	40	IHBB	
Cc1cccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)c1	2194226	ZZUHATKXRVWGAX-UHFFFAOYSA-N	449.565	3.905	5	40	IHBB	
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1[N+](=O)[O-]	9569144	MSZLVAYIVBRXLA-UHFFFAOYSA-N	430.269	3.694	5	40	IHBB	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	11851806	IEYIAQKUFZAYBP-UONOGXRCSA-N	439.855	3.929	5	40	IHBB	
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	20142903	ORVQIOCKNXZWOG-UHFFFAOYSA-N	437.452	3.744	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	222367927	AVACUYMXCROSGG-QGZVFWFLSA-N	433.530	3.635	5	40	IHBB	
Cc1cc(I)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1	409177836	HZIDYLHZLIGFIE-UHFFFAOYSA-N	429.239	3.634	5	40	IHBB	
CCOC(=O)c1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccc(OC)cc2)c1C	1455190	FRXYBTXKDUSNAX-DQRAZIAOSA-N	441.465	3.682	5	40	IHBB	
CN(CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1	20957800	KYPVSIQKNQWVLJ-UHFFFAOYSA-N	436.468	3.692	5	40	IHBB	
CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223923851	CNKFOPCBJRVHKR-ZDUSSCGKSA-N	438.311	3.998	5	40	IHBB	
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1	12798982	JYIHRRDMVGYWAM-UHFFFAOYSA-N	431.514	3.731	5	40	IHBB	
CCC(CC)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	12820165	CJDLJMMJRNKLNM-UHFFFAOYSA-N	447.875	3.962	5	40	IHBB	
O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NCc1ccc(Cl)cc1	20530662	OJNQMMLRNYKCBV-UHFFFAOYSA-N	436.859	3.614	5	40	IHBB	
COc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl	20611720	PWZIZFDEOYGGNS-UHFFFAOYSA-N	426.256	3.999	5	40	IHBB	
CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	58159047	DNVHJROHJAQIEA-AWEZNQCLSA-N	430.892	3.600	5	40	IHBB	
Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)cc1[N+](=O)[O-]	100505066	FOWWOULNOBUXQC-UHFFFAOYSA-N	439.138	3.762	5	40	IHBB	
Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1	224135515	BEPBTTMRYFEILJ-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)N2CCCCC2)c1C	676510	RHHNXEXLXPEQAX-UHFFFAOYSA-N	431.470	3.630	5	40	IHBB	
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9254999	FGBCJXLHMRJJTJ-UHFFFAOYSA-N	447.753	3.653	5	40	IHBB	
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccco3)nc2N1	9637090	VUCRTFVNTUBGAY-IBGZPJMESA-N	443.423	3.769	5	40	IHBB	
Cc1noc(C)c1CN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1	22135153	PNTDMMPACPAUSV-UHFFFAOYSA-N	440.481	3.624	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1	27745695	MLRZWLHNIGBDEB-INIZCTEOSA-N	443.308	3.731	5	40	IHBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223588700	YDLZEUFXVCIBDA-FQEVSTJZSA-N	441.528	3.868	5	40	IHBB	
COc1ccc2[nH]c3nc(SCc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)nnc3c2c1	12498561	FLJBCJGJBZKUKS-UHFFFAOYSA-N	435.425	3.765	5	40	IHBB	
COc1cc(OC)cc([C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2nccn2C)c1	12602614	HRBFXEGIONLDFK-SFHVURJKSA-N	430.848	3.518	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Br	14770564	HMQVGQSIMSXELZ-UHFFFAOYSA-N	440.275	3.588	5	40	IHBB	
COc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC	27573052	MOJJCKRZRFMZLJ-QGZVFWFLSA-N	433.530	3.877	5	40	IHBB	
Cc1ccccc1NC(=O)COC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9636245	ICSYUPSIVSZBCM-LBPRGKRZSA-N	425.363	3.904	5	40	IHBB	
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	10233098	IBXCQKBKZZMRHN-SFHVURJKSA-N	428.828	3.855	5	40	IHBB	
CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(F)cc2)c1C	12910406	HCBXPSBROXUYLG-FQEVSTJZSA-N	440.431	3.571	5	40	IHBB	
CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1	57315676	KMUFAZRFVFYULF-UHFFFAOYSA-N	443.510	3.988	5	40	IHBB	
Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	218373545	QNORKSVRSFDPIL-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222504601	PRFCWIUFKLRECT-UTKZUKDTSA-N	441.528	3.868	5	40	IHBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	223086195	OSLMTKPPDUGCKG-XMMPIXPASA-N	445.519	3.914	5	40	IHBB	
CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccccc3c(=O)c2c1=O	2351220	JGJLGAGBGIZBSQ-UHFFFAOYSA-N	436.464	3.996	5	40	IHBB	
Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222666021	BAVLCPYCUYJLKW-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
COc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1OC	408714058	HMEOAYGGWZAVNI-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1	12779717	SHLIVQFPBAIKHA-UHFFFAOYSA-N	438.509	3.685	5	40	IHBB	
CN(C)C(=O)c1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1	13095630	WLXGSJCTLFHICN-UHFFFAOYSA-N	446.529	3.605	5	40	IHBB	
Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nn12	14273214	HWUDRIVNNAAGHJ-UHFFFAOYSA-N	449.496	3.922	5	40	IHBB	
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2nc3ccccc3s2)CC1	39969258	PHMGNRIIETYYPA-UHFFFAOYSA-N	438.465	3.519	5	40	IHBB	
C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57653000	XMCNUHFIQVMNJU-OAHLLOKOSA-N	439.903	3.946	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21	604405558	QDQJBHNRFUPYAW-SHNDDRJUSA-N	434.540	3.971	5	40	IHBB	biogenic
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)no1	1772150	GGMFTRNQVATVPY-UHFFFAOYSA-N	436.833	3.598	5	40	IHBB	
COCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)c(C)nc21	2210807	GYASLDHDRJVWFE-UHFFFAOYSA-N	427.508	3.882	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCCC3	6878232	PWFDPKZFLWZAHJ-UHFFFAOYSA-N	444.538	3.996	5	40	IHBB	
O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2nc3ccccc3n12	13546292	XJXGQMWBZPFZAM-BKUYFWCQSA-N	429.457	3.944	5	40	IHBB	
CCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	16042232	OLXMLQFLHYUYDF-OFNKIYASSA-N	432.480	3.561	5	40	IHBB	biogenic
Cc1c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	16250187	IBVCXAQVSWQSTQ-UHFFFAOYSA-N	431.514	3.865	5	40	IHBB	
COCCNc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-]	40068544	FVIKKTUENDYJDH-AWEZNQCLSA-N	441.463	3.777	5	40	IHBB	
CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222522610	BEMCLIUKABFDOX-IBGZPJMESA-N	433.530	3.903	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1	223405574	UUKCVMOKSBCSNN-UHFFFAOYSA-N	429.454	3.569	5	40	IHBB	
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cccc(Cl)c1	976382	FYOXCRVPVMTKDK-UHFFFAOYSA-N	433.877	3.687	5	40	IHBB	
Cc1ccccc1NC(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4	2416136	HZJBQELMOYGENS-UHFFFAOYSA-N	449.565	3.905	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F)c1ccc(F)cc1	8810880	GHCMDTKMNWIZHQ-UHFFFAOYSA-N	433.392	3.926	5	40	IHBB	
Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1C(=O)O	9064674	DEGAGBPNKMRYSE-UHFFFAOYSA-N	442.497	3.719	5	40	IHBB	
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccc(C(=O)NCc3ccco3)cc2)n1	12629899	XPLBXSWUCXTSHU-UHFFFAOYSA-N	445.435	3.864	5	40	IHBB	
CCOc1cc(Br)c(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1OCC	12695638	OBNNQCQZEGRXND-UHFFFAOYSA-N	448.273	3.913	5	40	IHBB	
COc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1	59502198	QQWZLMILQVTYIJ-UHFFFAOYSA-N	431.404	3.504	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222523975	DAUDXTNVTUNMKX-INIZCTEOSA-N	445.419	3.797	5	40	IHBB	
CC[C@H](C(=O)Nc1ccccc1SC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222538707	NQQYCAJIUFLZKU-MRXNPFEDSA-N	437.543	3.808	5	40	IHBB	
C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1	223255109	ZCKGRFGUZSSNEN-HNNXBMFYSA-N	447.513	3.612	5	40	IHBB	
COc1ccc2c(c1)CCc1sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc1-2	409054637	UTPQMTSLEHAMIQ-UHFFFAOYSA-N	426.410	3.986	5	40	IHBB	
COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CCCC2)cc1OC	4208016	QZIGJPHBMDXUDU-UHFFFAOYSA-N	429.429	3.762	5	40	IHBB	
CCOc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)c([N+](=O)[O-])c1	8824860	QMCOUPKRQZBSGE-UHFFFAOYSA-N	447.245	3.717	5	40	IHBB	
C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	12757227	CPGFQAIFRFQKPW-LLVKDONJSA-N	441.448	3.533	5	40	IHBB	
CCCOc1ccc(C(=O)CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	13076185	FWXIYNUZJWBCIS-UHFFFAOYSA-N	429.425	3.956	5	40	IHBB	
CCOc1cc(CN2CCOc3ccccc32)ccc1OCCn1c([N+](=O)[O-])cnc1C	95468652	YBOHKPFPWKDILO-UHFFFAOYSA-N	438.484	3.976	5	40	IHBB	
COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)Nn1c(nc3ccccc3c1=O)C2	988466	FFNGMMWDTKGLQD-HSZRJFAPSA-N	444.447	3.559	5	40	IHBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NC(C)C)cc3c3ccnc2c31	8792275	ACFZFROGAWZOKI-UHFFFAOYSA-N	445.475	3.513	5	40	IHBB	biogenic
CCN(CC)S(=O)(=O)c1ccc(OCCOc2ccccc2Cl)c([N+](=O)[O-])c1	9988828	IOZPCOJLBHNKSB-UHFFFAOYSA-N	428.894	3.737	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(OCc2csc(-c3ccco3)n2)c([N+](=O)[O-])c1	25434039	FTEUHZBEKZALKA-UHFFFAOYSA-N	437.499	3.921	5	40	IHBB	
O=C(NCc1cccc(COc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	40156999	DJCNLMVMTYPNQB-UHFFFAOYSA-N	447.491	3.940	5	40	IHBB	
COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224787710	MEIQRNJCTUEBRN-UHFFFAOYSA-N	440.477	3.939	5	40	IHBB	
COc1ccc(-c2nnc(SC)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	2117929	ZSRBLOXIPGHHQC-UHFFFAOYSA-N	429.414	3.761	5	40	IHBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1Cl	9234878	HKPFOOOCYPSNBT-VQHVLOKHSA-N	429.816	3.795	5	40	IHBB	
COc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC	9426427	KCMBRIBEIGDYEI-UHFFFAOYSA-N	435.436	3.794	5	40	IHBB	
O=C(c1cccnc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	34720487	HTOSHVQUQCBNPB-UHFFFAOYSA-N	429.908	3.596	5	40	IHBB	
COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1	95532100	UBDICMKHFPKJIR-FQEVSTJZSA-N	441.440	3.545	5	40	IHBB	
Cc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl	222361992	XOVJLWKFRQOFMJ-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1N(C)S(=O)(=O)c1ccccc1	224293852	FWNNZIOBUHQACQ-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	1919074	JAJGPNJSIHNFEW-UHFFFAOYSA-N	432.454	3.507	5	40	IHBB	
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3C)co2)n1	9829248	GMYYAYLGMJPGMR-UHFFFAOYSA-N	427.438	3.775	5	40	IHBB	
C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1cccnc1Cl	10723324	AWHCMNCLYOGBRX-CQSZACIVSA-N	435.867	3.774	5	40	IHBB	
CNc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-]	12607440	SURNMVDJNOWVPQ-UHFFFAOYSA-N	437.525	3.718	5	40	IHBB	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1c(C)cccc1[N+](=O)[O-]	13059546	XMAPIZQPHFUVCN-UHFFFAOYSA-N	438.406	3.821	5	40	IHBB	
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1	13569974	LCCWCAXUTSVEAM-JOCHJYFZSA-N	431.452	3.904	5	40	IHBB	
Cc1ccccc1-c1nc2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1	26533650	OIFBRKRTRXGTJG-XDHOZWIPSA-N	430.445	3.842	5	40	IHBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCc2cc(OC(F)F)ccc21	58343455	ZJUTUDNGEHWFLX-UHFFFAOYSA-N	447.394	3.864	5	40	IHBB	
CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(NC(C)=O)c1	408638222	PUBMPTWFJJQOPY-UHFFFAOYSA-N	425.470	3.807	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409177756	CRPJHKQMBZXPBC-UHFFFAOYSA-N	427.394	3.588	5	40	IHBB	
CCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccc(OC)c(OC)c1	13576829	XGAYATQQUZHYTP-UHFFFAOYSA-N	447.535	3.851	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1[N+](=O)[O-]	17102768	OXLRLCAVKDLJNV-UHFFFAOYSA-N	438.849	3.990	5	40	IHBB	
C[C@@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	17940587	JNJBLBPNNDYNOI-CYBMUJFWSA-N	430.461	3.534	5	40	IHBB	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)ccc1[N+](=O)[O-]	19629612	LUKCARSBGWZWIP-UHFFFAOYSA-N	439.493	3.677	5	40	IHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc1)[C@@H]1CC[C@@H]2C1	102641244	XLNWKKFDQFMZBT-LTDCPUDJSA-N	430.420	3.847	5	40	IHBB	
CC(=O)Nc1sc2c(c1C(=O)OCc1cc([N+](=O)[O-])cc3c1OCOC3)CCCC2	2621918	IXIMXSMRQFRRIF-UHFFFAOYSA-N	432.454	3.717	5	40	IHBB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccnc2[N+](=O)[O-])cc1	9119829	GSSWUWHHHFFMTG-HXUWFJFHSA-N	432.436	3.755	5	40	IHBB	
O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	9493058	DETYQUCUNSAGEH-INIZCTEOSA-N	434.832	3.602	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	408688667	WMISJYVUICPZGG-QZTJIDSGSA-N	441.871	3.981	5	40	IHBB	
CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1	2268906	QRFQZXMEXMMWGM-UHFFFAOYSA-N	443.507	3.560	5	40	IHBB	
O=C(COc1cccc(Oc2ccccn2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	12545329	JEWOQFOJLLWUOR-UHFFFAOYSA-N	434.452	3.510	5	40	IHBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(Sc3nc(C(C)(C)C)n[nH]3)c([N+](=O)[O-])c2)C1	14069255	FZVMQJHOCUISJC-GFCCVEGCSA-N	439.563	3.582	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-]	19645822	LTBWGXJBBQWBTA-UHFFFAOYSA-N	447.454	3.638	5	40	IHBB	
CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@@H](c2cccc([N+](=O)[O-])c2)O1	24543598	MNYWFOZRZXJSCO-GOSISDBHSA-N	448.229	3.522	5	40	IHBB	
CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	224052415	NWVUUGVSLVVTNN-FOIQADDNSA-N	433.530	3.579	5	40	IHBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)C(F)(F)F	9062501	WBFRWFZUEVFPBP-UHFFFAOYSA-N	437.359	3.866	5	40	IHBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)C1	14360646	PDFZTIDPBCGJQE-IYBDPMFKSA-N	432.498	3.618	5	40	IHBB	
COc1ccc(-c2nc3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1	16728975	WPWYHXHYQLZIDM-XDHOZWIPSA-N	446.444	3.543	5	40	IHBB	
O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)n2)cc1	58161892	ICXKTDGZXGQMGA-KRWDZBQOSA-N	449.446	3.880	5	40	IHBB	
O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCOCC2)c1	107918790	OTZOUOODCYBPSP-UHFFFAOYSA-N	437.315	3.944	5	40	IHBB	
CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1C	220037739	ZBADDTJGLQLLTM-SFHVURJKSA-N	433.530	3.554	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408568425	ULANDSYMAGAYTE-HFRGRHLUSA-N	429.476	3.788	5	40	IHBB	
O=C(NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)c1cnc2[nH]nnc2c1	543587714	ZNJBTYDYZLHNDO-UHFFFAOYSA-N	442.794	3.776	5	40	IHBB	
O=[N+]([O-])c1ccc(OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	4489367	XPFHCTKZCHACRF-UHFFFAOYSA-N	430.814	3.863	5	40	IHBB	
CC(C)(C)NS(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)o2)c([N+](=O)[O-])c1	20667447	AWFREBPBVSAOLO-UHFFFAOYSA-N	440.528	3.934	5	40	IHBB	
O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)Nc1ccc([N+](=O)[O-])cc1	8445751	QILMBZWYPKAPIG-UHFFFAOYSA-N	440.510	3.857	5	40	IHBB	
CN1C(=O)[C@H](NC(=O)Nc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21	13732849	OMMUFFDOCUDYMZ-NRFANRHFSA-N	429.436	3.556	5	40	IHBB	
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1	17094409	DDVFRMLKRNJZMB-UHFFFAOYSA-N	425.466	3.885	5	40	IHBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-]	32125402	TYANOELAKBPDTB-UHFFFAOYSA-N	428.514	3.967	5	40	IHBB	
CCSc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	220396819	VQULLISVDRCBLT-AWEZNQCLSA-N	437.543	3.808	5	40	IHBB	
S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCOCC1	408975466	KQXONTZUGSGKPV-UHFFFAOYSA-N	426.505	3.908	5	40	IHBB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1	8722318	KHKNIJAPCFEGBA-INIZCTEOSA-N	432.458	3.608	5	40	IHBB	
CCCc1nnc2c3ccccc3c(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)nn12	9013852	UZAINMAWIGRDGB-UHFFFAOYSA-N	431.500	3.557	5	40	IHBB	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	9508733	LGMXDZILTJKRSV-VAWYXSNFSA-N	449.486	3.898	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1	13511315	GQTNLGAGVQATQO-UHFFFAOYSA-N	428.448	3.716	5	40	IHBB	
CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12	20638320	IPHGOTITXFZFKG-UXHICEINSA-N	436.468	3.860	5	40	IHBB	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21	31178579	FCVVMWSBSCOZET-UHFFFAOYSA-N	449.457	3.920	5	40	IHBB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	220397522	HOGNSEGFAVGNDR-XLIONFOSSA-N	447.557	3.942	5	40	IHBB	
CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223015878	CWMLJGMZVYNWAD-FQEVSTJZSA-N	429.542	3.690	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408688090	VSLBNNYPAWZLNE-IYBDPMFKSA-N	439.855	3.757	5	40	IHBB	
CC[C@@H](C)NC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1	2091980	ORVMMFUCVKMBOU-SNVBAGLBSA-N	443.441	3.893	5	40	IHBB	
CCNc1cc(Nc2ccccc2I)c([N+](=O)[O-])c2nonc12	8974462	KUYQKTQLJDBKII-UHFFFAOYSA-N	425.186	3.911	5	40	IHBB	
N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1	101170474	BJXMYLQOTBMQEM-UHFFFAOYSA-N	445.498	3.703	5	40	IHBB	
O=C(OCC(F)(F)C(F)F)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	3138274	VFDRIASCAHVXHE-UHFFFAOYSA-N	428.250	3.772	5	40	IHBB	
O=C(Nc1ccc(OCc2cccs2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	58079304	RCYUHBYACZZHCF-UHFFFAOYSA-N	439.497	3.984	5	40	IHBB	
COc1cccc(-c2nc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)c1	65502061	NTNDZNKENURTES-UHFFFAOYSA-N	427.420	3.676	5	40	IHBB	
CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408637918	AVFWPXVAPANYFK-ZDUSSCGKSA-N	432.274	3.911	5	40	IHBB	
Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1[N+](=O)[O-]	1313373	UCBGSNKIWXXDKP-UHFFFAOYSA-N	434.452	3.711	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	13689538	IOSCYWBRIHXQPY-FKBYEOEOSA-N	429.432	3.954	5	40	IHBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	18087955	NCUNSLYYVYSWPP-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(C)cc1[N+](=O)[O-])n2CCC(C)C	18977418	XWNOCEQAKUGSSJ-UHFFFAOYSA-N	443.504	3.528	5	40	IHBB	
Cn1ccnc1[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1	32888489	AUDATHDAQHDUAY-DEOSSOPVSA-N	440.478	3.933	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	59132940	VGRFGVQIDCFUBQ-UHFFFAOYSA-N	425.466	3.885	5	40	IHBB	
C[C@H](Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	408595822	UZYQOVHVTAPWFH-HNNXBMFYSA-N	447.513	3.612	5	40	IHBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)c1	408661725	CCOLFZLBBJPQQT-UHFFFAOYSA-N	449.847	3.548	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O	408685207	OZDLVSSXQLYIRM-UHFFFAOYSA-N	436.251	3.998	5	40	IHBB	
CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])c1	34931155	ZCNLFWPTRACZTF-UHFFFAOYSA-N	430.486	3.616	5	40	IHBB	
O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccc([N+](=O)[O-])cc1	56949865	ROSQCFFFAGLDTG-UHFFFAOYSA-N	439.443	3.588	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O	222376400	WQKSULSICQUVMJ-SFHVURJKSA-N	447.557	3.587	5	40	IHBB	
Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc(C)c1Br	408640901	KEPQXASPYIANEX-ZDUSSCGKSA-N	432.274	3.966	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408688395	WEYNGCBSKYZGEP-QZTJIDSGSA-N	439.855	3.757	5	40	IHBB	
CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCc1ccccc1[N+](=O)[O-]	9328786	SWRHVZKVHHCYFM-UHFFFAOYSA-N	427.486	3.688	5	40	IHBB	
C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	10111922	IGVFPPIHNFGNIW-OAHLLOKOSA-N	433.530	3.536	5	40	IHBB	
CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	103562484	AGYXVVSRSPFRSQ-BURNTYAHSA-N	445.475	3.725	5	40	IHBB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1	220396325	AGOQXIHTIBNKQQ-VQIMIIECSA-N	433.530	3.634	5	40	IHBB	
O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1	260926965	XFFRQQOMRJNGIN-BVYCBKJFSA-N	449.536	3.932	5	40	IHBB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	4015866	DHEISUYQFLNNFD-FGEXJBCWSA-N	438.439	3.735	5	40	IHBB	
CC1CCN(S(=O)(=O)c2ccc(Sc3nc(C(C)(C)C)n[nH]3)c([N+](=O)[O-])c2)CC1	9112700	XFIZOQQOGXCLGM-UHFFFAOYSA-N	439.563	3.582	5	40	IHBB	
Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	9660486	AWXUOJRADHZDFM-UHFFFAOYSA-N	435.827	3.903	5	40	IHBB	
O=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	36626608	DXNPHHMSJBHESE-UHFFFAOYSA-N	431.364	3.659	5	40	IHBB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1	9130786	FLPKZHZTKVXZJA-MRXNPFEDSA-N	425.272	3.877	5	40	IHBB	
O=C(CCc1ccccc1)Nc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)s1	16977256	SRIMIJKSXSNLET-UHFFFAOYSA-N	428.495	3.993	5	40	IHBB	
O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O	17155337	PSZHEIPUDDCWCL-UHFFFAOYSA-N	433.342	3.656	5	40	IHBB	
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2nsnc2c1	57313964	ZZQWJNLMJRSNFW-UHFFFAOYSA-N	442.507	3.850	5	40	IHBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222544634	BWVOXMAJDGWNLO-HSZRJFAPSA-N	449.482	3.663	5	40	IHBB	
O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	103614563	AGRSOIUWNDUISI-PZJWPPBQSA-N	430.395	3.516	5	40	IHBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225573491	GAVJSMGPNVAXEF-DEOSSOPVSA-N	445.519	3.832	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408564424	CTZLCAYQFSRUGT-JHMXWDHMSA-N	429.476	3.788	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1[N+](=O)[O-]	408672172	ZSPJIWQEQARYBY-KLDKWKSESA-N	436.464	3.930	5	40	IHBB	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	9508431	BXBWFWDFBOOHFB-GFCCVEGCSA-N	425.363	3.904	5	40	IHBB	
CC(C)(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1	16742120	JMSSKTDYPYYUCI-HXUWFJFHSA-N	430.526	3.722	5	40	IHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O	33711547	KGDGXZCUZBHDHY-ASUFAWQPSA-N	441.440	3.600	5	40	IHBB	
O=C(Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	107943576	SXYVLYJOCSIFHR-FPYGCLRLSA-N	448.218	3.668	5	40	IHBB	
CSc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222375971	IKIDZYKUHGVCPS-UHFFFAOYSA-N	437.543	3.810	5	40	IHBB	
O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)c1ccccc1	409362905	SZWQTUSHSNYDJN-WQRHYEAKSA-N	444.490	3.598	5	40	IHBB	
COc1cc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC	2150306	XPHOKDAUDJKFBE-UHFFFAOYSA-N	431.426	3.646	5	40	IHBB	
COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	8831464	CTXOJRFKYKEMDW-UHFFFAOYSA-N	440.437	3.576	5	40	IHBB	
O=C1C[C@@H](C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2N1	21466933	WBUVDIYSZZQVRF-HNNXBMFYSA-N	443.765	3.933	5	40	IHBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	409180009	UDPCYQJAGSIACW-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc([N+](=O)[O-])cc1	9390078	IRXWVYDHWDOUSR-UHFFFAOYSA-N	434.275	3.873	5	40	IHBB	
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1N1CCOCC1	12554629	CQMYWGHKGRZRGG-HNNXBMFYSA-N	432.908	3.544	5	40	IHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2Br)NC(=O)N1	15911773	HPDRHVMJQZJSBW-INIZCTEOSA-N	431.246	3.624	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222536659	PEMYMBLJZPNOFG-QGZVFWFLSA-N	437.543	3.808	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2F)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565205	IWPFYMJMYPYIRB-DPQOWFAMSA-N	447.466	3.927	5	40	IHBB	
Cc1nn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	2730925	VNUYXPMISGYNHQ-UHFFFAOYSA-N	444.908	3.836	5	40	IHBB	
O=C(COC(=O)c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	9703486	TYXIOLBIJCGRTP-UHFFFAOYSA-N	437.124	3.765	5	40	IHBB	
CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	17099475	RPWCJFAPYQQOCD-UHFFFAOYSA-N	435.436	3.779	5	40	IHBB	
CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(c4ccccc4)CC3)nc21	28629279	GULQBEMBUJVIHY-UHFFFAOYSA-N	444.499	3.825	5	40	IHBB	
Cc1ccc(-c2nc3c(Br)cc4c(c3[nH]2)C(=O)NC(=O)C4(C)C)cc1[N+](=O)[O-]	45287688	WSOKCMVNHOQAHA-UHFFFAOYSA-N	443.257	3.757	5	40	IHBB	
CCOc1ccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)cc1[N+](=O)[O-]	59294169	CQLQCHJHNOPUPD-UHFFFAOYSA-N	437.890	3.778	5	40	IHBB	
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)ccc2OC)cc1	408565278	BMZKDRROZXDXHW-LJQANCHMSA-N	430.486	3.712	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1[N+](=O)[O-]	408672174	ZSPJIWQEQARYBY-QPAOKJHLSA-N	436.464	3.930	5	40	IHBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	2023112	IIBQWIMIYHROFI-UHFFFAOYSA-N	442.409	3.556	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCc1cn2ccccc2n1	32891535	MSTAYMSTLXNOIS-UHFFFAOYSA-N	437.481	3.698	5	40	IHBB	
CCc1noc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	95438453	CDWRKFGCIQSXOK-UHFFFAOYSA-N	430.442	3.507	5	40	IHBB	
Cc1oc(-c2ccccc2)nc1COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	12472217	REYRACILMWUJLD-UHFFFAOYSA-N	429.816	3.685	5	40	IHBB	
O=C1c2ccc(Br)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1Br	13304255	JYGMIMBKALXBLL-UHFFFAOYSA-N	426.020	3.920	5	40	IHBB	
Cc1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-]	14413540	KWWIACWSVFBTBQ-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1	260927000	XRYVWVRGNHPBNC-BVYCBKJFSA-N	449.536	3.932	5	40	IHBB	
CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cc(C)ccc3nc21	2484390	FVIPWYAFLHHHSL-MRXNPFEDSA-N	436.537	3.549	5	40	IHBB	
Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)no1	9562902	IMDQCCULUQKBTF-UHFFFAOYSA-N	444.831	3.952	5	40	IHBB	
CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCOCC1	9907775	CWELWRLKLXRLLB-UHFFFAOYSA-N	433.848	3.514	5	40	IHBB	
CC(C)c1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1	10296281	INODVKVISQAIHE-LJQANCHMSA-N	430.428	3.562	5	40	IHBB	
O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N[C@H](Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1	15022319	OYYRYRGCYOYKDO-LDVJMBRRSA-N	427.460	3.656	5	40	IHBB	
O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1	15676028	DOSRWESMEFTOGF-SFHVURJKSA-N	449.402	3.839	5	40	IHBB	biogenic,in-vitro
CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1	16814342	VMORDMHVPWBTIA-UHFFFAOYSA-N	426.454	3.984	5	40	IHBB	
CCOc1cc(Br)c(COC(=O)c2cc([N+](=O)[O-])cn2C)cc1OCC	26418160	LZKWRARDBJVVFT-UHFFFAOYSA-N	427.251	3.850	5	40	IHBB	
C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57524833	VEMKRQBFTYJPMS-HNNXBMFYSA-N	439.903	3.946	5	40	IHBB	
Cc1ccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c(C)c1	57568636	DKNUGDFENKPKRA-UHFFFAOYSA-N	447.539	3.540	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2csc(NC)n2)c([N+](=O)[O-])c1	72301716	FKBLLUHLSHTGTL-UHFFFAOYSA-N	447.542	3.920	5	40	IHBB	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccc([N+](=O)[O-])c1	101585195	GJJHNGHHVFXGTC-NYYJTOMGSA-N	437.290	3.810	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1	103617034	NAITYWUJYVPUTD-RBBKRZOGSA-N	426.432	3.686	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)n1	1851126	FHUFEBQKJSUTLE-UHFFFAOYSA-N	437.364	3.612	5	40	IHBB	
CN1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccc([N+](=O)[O-])c2)CC1	6144600	ASEHFZKCYYKAEB-UHFFFAOYSA-N	440.887	3.763	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCN(c2ccccc2)CC1	8686662	QYDCJXMNEWJMRO-UHFFFAOYSA-N	438.509	3.722	5	40	IHBB	
COc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC	24978292	MYOBPEJFKIRLLZ-UHFFFAOYSA-N	433.892	3.660	5	40	IHBB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c(C)c1	34851408	ABEMYJMVXSABLX-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12	36543641	POVXLQDHLRLHHM-XVWGUNQUSA-N	446.438	3.505	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(NCCNc2ccc3ccccc3n2)c([N+](=O)[O-])c1	48311198	ZQLXSGNAYWAKKY-UHFFFAOYSA-N	443.529	3.698	5	40	IHBB	
COCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc([N+](=O)[O-])ccc21	100872668	QFNGRYTVRJMGGV-ZPHPHTNESA-N	436.287	3.761	5	40	IHBB	
COc1ccc2sc(S[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3=O)nc2c1	2215162	IPJGRQOJPOJPIA-OAHLLOKOSA-N	433.442	3.776	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C	9532845	KMMKONVKGBVRPI-UHFFFAOYSA-N	433.877	3.783	5	40	IHBB	
CSc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-]	12745914	XOYJGGPDCXEZKG-UHFFFAOYSA-N	442.493	3.823	5	40	IHBB	
Cc1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-]	12887001	HENHQOAHXJQLHA-UHFFFAOYSA-N	438.509	3.649	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	14397081	JXVGWAAVGQUGKS-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1nc(Cl)ncc1F	409304935	UCDOXZVXYXTVSU-HYXAFXHYSA-N	449.782	3.740	5	40	IHBB	
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1	15536400	LPHFKUPOXVFJDY-CYBMUJFWSA-N	425.466	3.996	5	40	IHBB	
CCCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21	17083385	XGVLUFWTMXQEJW-IBGZPJMESA-N	433.258	3.575	5	40	IHBB	
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	18005040	MITGKAJNOKIKAL-GOSISDBHSA-N	425.485	3.887	5	40	IHBB	
CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	223292122	LAMCQSVPILWKAJ-SFTDATJTSA-N	437.525	3.784	5	40	IHBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	224095270	SWIOHMRDGKMWLA-FQEVSTJZSA-N	429.542	3.772	5	40	IHBB	
CN(c1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1	225981403	JSKKDFCPLNGITE-UHFFFAOYSA-N	425.466	3.601	5	40	IHBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3O)C2=O)cc1C	408929264	SWCRGLDFCGDQDA-CXUHLZMHSA-N	427.438	3.592	5	40	IHBB	
CCn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)NC(C)(C)C	9410736	LYPOGCUMQXCIGZ-UHFFFAOYSA-N	449.580	3.821	5	40	IHBB	
O=C(Nc1ccc(Br)cc1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	10187815	ZPXYBYAOMMPGED-UHFFFAOYSA-N	446.232	3.959	5	40	IHBB	
O=C(OCc1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	12311767	HZOPHSHYQQDHEL-UHFFFAOYSA-N	425.466	3.912	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3	12913943	UETMOYMUSGWTMX-UHFFFAOYSA-N	444.509	3.691	5	40	IHBB	
COc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc12	30840482	JGDDRCWCRIXZJK-LUAWRHEFSA-N	445.431	3.883	5	40	IHBB	
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1	32109695	KKCYHNHNUZOMAW-JOCHJYFZSA-N	433.468	3.573	5	40	IHBB	biogenic
Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	102734799	QCMIGTMWYPLPKM-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N+]2(O)C1	103632983	ZSDBUJBJWGVNKA-XQXYXDEQSA-N	446.652	3.790	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	138645540	QVONSIBMWGITTN-RTBURBONSA-N	441.871	3.981	5	40	IHBB	
CN1C[C@H](c2ccc(OCc3ccccc3F)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408570122	ZLLOQTNSQCHJIC-RZPHLTDDSA-N	447.466	3.927	5	40	IHBB	
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c1O	409050948	FEHBTIHKADLRKZ-YVLHZVERSA-N	448.428	3.954	5	40	IHBB	
CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	58158764	OENAVKYGOZKTIF-AWEZNQCLSA-N	430.892	3.600	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	3959829	KZDHWXRVPKVGAW-NRFANRHFSA-N	429.432	3.749	5	40	IHBB	
CS(=O)(=O)c1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-]	58159661	OVMVWYWSRAZDPR-CQSZACIVSA-N	446.460	3.571	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O	408681350	HVRJIWPHUINXDK-UHFFFAOYSA-N	436.251	3.998	5	40	IHBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1	409138594	FEAMNFDRGRDPAH-UHFFFAOYSA-N	442.457	3.821	5	40	IHBB	
CC(C)COC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	409211940	ORGSAAFMCUOIAG-YVLHZVERSA-N	429.454	3.621	5	40	IHBB	
CCC[C@@H](CC)CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	15905945	GMFPTZPNVNZKBM-CQSZACIVSA-N	445.969	3.591	5	40	IHBB	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	33345800	FTGMZDILPXDMNQ-WTKPLQERSA-N	430.467	3.504	5	40	IHBB	
COc1c(Cl)cc(S(=O)(=O)N(C)c2ccccc2)c(Br)c1[N+](=O)[O-]	83869605	XAPYEEDLRQVGPS-UHFFFAOYSA-N	435.683	3.844	5	40	IHBB	
CC(C)c1ccc(-n2cnn(-c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c2=O)cc1	8925827	HDGSHYPTTZBINH-UHFFFAOYSA-N	437.334	3.982	5	40	IHBB	
CCOc1ccc(C(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1[N+](=O)[O-]	10570614	YQHBDVIICGDVFQ-UHFFFAOYSA-N	449.419	3.702	5	40	IHBB	
COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC	13003526	UKMYLJGIMGLCBO-NSDYXAQKSA-N	432.517	3.963	5	40	IHBB	
CCN(CC)[C@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])c1ccccc1	13031530	UJJXYHMZZYKSHF-OAQYLSRUSA-N	434.562	3.777	5	40	IHBB	
COc1ccc(-c2nc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1	65534924	MBFWLZCLXMBSMX-UHFFFAOYSA-N	427.420	3.676	5	40	IHBB	
COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	95456120	NEUQOVNEFFLSKW-IBGZPJMESA-N	446.891	3.620	5	40	IHBB	
CC(C)COC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccccc3[N+](=O)[O-])C2=O)cc1	101094640	XLYFFJOXGSBKMW-UHFFFAOYSA-N	443.843	3.843	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222543147	OUWJFYDMEGYSOU-PXNSSMCTSA-N	447.557	3.942	5	40	IHBB	
COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224759023	OETQFUSWWDDWST-UHFFFAOYSA-N	426.450	3.630	5	40	IHBB	
CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2	2293061	OAWJIKBJAUTBLS-UHFFFAOYSA-N	427.464	3.872	5	40	IHBB	
CSCC[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	9704684	VUMTULLTVKRWBH-KRWDZBQOSA-N	436.497	3.881	5	40	IHBB	
O=C(COCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(OCCc2ccccc2)cc1	9763591	ZJHPZYRRUDIROS-UHFFFAOYSA-N	449.463	3.810	5	40	IHBB	
COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl	32954456	DDMBYGVCHSZASP-UHFFFAOYSA-N	433.848	3.653	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	89644382	DVTJXIDXNHCIME-UHFFFAOYSA-N	425.464	3.936	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12	13625095	HBIYUJWQOMLMIR-MEKIYTOJSA-N	446.438	3.505	5	40	IHBB	
COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	95456121	NEUQOVNEFFLSKW-LJQANCHMSA-N	446.891	3.620	5	40	IHBB	
CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Br)c1	224885392	KAGQEBOGNWEQST-UHFFFAOYSA-N	429.292	3.890	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1CSc1nnc(N2C(=O)c3ccccc3C2=O)s1	3671654	SWMRTZAPWYACDA-UHFFFAOYSA-N	428.451	3.548	5	40	IHBB	
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9491762	OIQMRLIUGXOAPP-GFCCVEGCSA-N	437.374	3.547	5	40	IHBB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-]	14668207	WWFZQZGXWLOTHA-UHFFFAOYSA-N	441.421	3.897	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)C3=O	15838131	MHOGZIICVDLZIW-NRFANRHFSA-N	444.447	3.842	5	40	IHBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1Cl	16449259	OOIWKIJVERGIRP-UHFFFAOYSA-N	439.324	3.739	5	40	IHBB	
O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2[N+](=O)[O-])o1	17094383	ATBKIGQMJAXBOO-UHFFFAOYSA-N	425.422	3.753	5	40	IHBB	
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	18178928	NMDCUQHAPVTSMT-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
CC1CCN(Cc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1	20893183	FOZPZDORXWYOOX-UHFFFAOYSA-N	437.500	3.731	5	40	IHBB	
CCc1cccc(-n2c(S/C=C/c3ccc([N+](=O)[O-])o3)nnc2N2CCOCC2)c1	24747742	JBEQYKMCWZUVKS-MDWZMJQESA-N	427.486	3.931	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C1=O	101136392	LYHURZVPPLFWJW-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
COC(=O)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])C=C[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1C(=O)OC	4551878	CKXDGJUGYNDOKK-YKCBXCCJSA-N	440.408	3.519	5	40	IHBB	
O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	8994184	QHIVKBRVVQMSNR-UTKZUKDTSA-N	440.843	3.883	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1C	12745458	NODMRMIKZCKMAZ-GOSISDBHSA-N	432.498	3.899	5	40	IHBB	
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	17099710	WMTWQSSWVOHITD-UHFFFAOYSA-N	435.736	3.906	5	40	IHBB	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(Cc1cccs1)Cc1cccs1	24466525	UCGCDFJGNQDIBX-UHFFFAOYSA-N	443.506	3.672	5	40	IHBB	
O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	1313191	WHOMRIWFTKVBAD-UHFFFAOYSA-N	443.593	3.959	5	40	IHBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2O)c1	9062400	YSMRYMVRGBFESC-UHFFFAOYSA-N	445.391	3.855	5	40	IHBB	
Cc1cc(C)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)c(C(=O)N3CCOCC3)sc2n1	12555503	KWQPOLGDIBWYFP-UHFFFAOYSA-N	440.481	3.546	5	40	IHBB	
COc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)c([N+](=O)[O-])c1	14137229	AAGFEYGUFPQSLE-UHFFFAOYSA-N	428.392	3.632	5	40	IHBB	
O=C(CSc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	14826650	LXQARUNBIXAPAB-UHFFFAOYSA-N	435.508	3.615	5	40	IHBB	
COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])cc1OC(F)F	29050289	AUSRAOKYRORLGA-HNNXBMFYSA-N	443.834	3.891	5	40	IHBB	
CS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1[N+](=O)[O-]	40069923	GWVJHORIZCTZNH-UHFFFAOYSA-N	428.388	3.610	5	40	IHBB	
CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	223292275	LAMCQSVPILWKAJ-NHCUHLMSSA-N	437.525	3.784	5	40	IHBB	
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)CC1=O	10462125	HQOGHDWSLLVOAL-QGZVFWFLSA-N	438.484	3.743	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	10625702	BXGNLAHALINEIS-UHFFFAOYSA-N	448.888	3.960	5	40	IHBB	
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	15391488	UVYJZIAGXQPVBR-UHFFFAOYSA-N	425.875	3.660	5	40	IHBB	
CN1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2nc3ccccc3nc21	17364262	SPYVMAXBKBJCBB-UHFFFAOYSA-N	432.484	3.625	5	40	IHBB	
CC(C)(C)OC(=O)N[C@@](CC(=O)OCc1ccccc1)(C(=O)O)c1ccc([N+](=O)[O-])cc1	79670591	ZNPYDLWCNZVNGU-JOCHJYFZSA-N	444.440	3.533	5	40	IHBB	
COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1	409181889	GMFPXVKFAKBFRR-UHFFFAOYSA-N	436.420	3.901	5	40	IHBB	
O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21	604405559	QDQJBHNRFUPYAW-SLXNBQQMSA-N	434.540	3.971	5	40	IHBB	biogenic
COc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1	1416603	VVFKNFLMUABGSB-VCHYOVAHSA-N	430.438	3.857	5	40	IHBB	
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCC)cc1	2434835	VZSOFKMOSDPRTR-UHFFFAOYSA-N	427.464	3.870	5	40	IHBB	
O=C(CCn1cnc([N+](=O)[O-])c1)NCCCCOc1ccc(OCc2ccccc2)cc1	12525491	QTRADLRZJPPKIJ-UHFFFAOYSA-N	438.484	3.736	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2	12934856	RMIABIJCTIENIK-GOSISDBHSA-N	427.457	3.540	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCc4nccn4C3)c([N+](=O)[O-])c2)c(C)c1	58169317	GKSFHIBADCMBRE-INIZCTEOSA-N	441.513	3.636	5	40	IHBB	
Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3C3CCCCC3)c(=O)n2c1	100826582	OIMKNSAWBKJRNX-UHFFFAOYSA-N	448.548	3.775	5	40	IHBB	
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c([N+](=O)[O-])c1	205913119	YSOALGSMROEEEC-WOJGMQOQSA-N	441.465	3.822	5	40	IHBB	
C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@+]2([O-])C1	252462365	RTQDXHMAHWNJLQ-FKAHYCTHSA-N	445.644	3.899	5	40	IHBB	biogenic
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1	408576908	YTEKWDHBIPXXGV-UHFFFAOYSA-N	425.485	3.857	5	40	IHBB	
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9491763	OIQMRLIUGXOAPP-LBPRGKRZSA-N	437.374	3.547	5	40	IHBB	
O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	9708305	FJDCTVHKYBHAQC-LJQANCHMSA-N	436.493	3.515	5	40	IHBB	
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)CC1=O	10462035	ZIIZBCMZXWQOFG-OAHLLOKOSA-N	442.447	3.573	5	40	IHBB	
O=C1[C@H](Oc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2Br)N1C[C@@H]1CCCO1	48251031	VYQQJIMWPYKOMF-KFKAGJAMSA-N	447.285	3.867	5	40	IHBB	
Cc1ccc(NC(=O)CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1[N+](=O)[O-]	58166302	WYGMQBILACBFOW-MRXNPFEDSA-N	439.447	3.910	5	40	IHBB	
CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C	220423918	RJTPYAWCGQUDKC-OXQOHEQNSA-N	433.530	3.634	5	40	IHBB	
Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	223480715	FOQCTLYXVFVKHM-DLBZAZTESA-N	433.530	3.552	5	40	IHBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	224821227	WEIRMSQKVAFKEP-UHFFFAOYSA-N	443.525	3.791	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1C	604483792	HMOYUZHQGBGROE-MRXNPFEDSA-N	429.542	3.816	5	40	IHBB	
CCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O	1890900	QSOCGTBYEFYVQW-URXFXBBRSA-N	446.507	3.951	5	40	IHBB	biogenic
CCOc1ccc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1	9561970	JRNNYZRXOSNZKQ-UHFFFAOYSA-N	428.319	3.688	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1coc(-c2ccccc2)n1	32910991	RCAOSDLAXYGXGI-UHFFFAOYSA-N	429.454	3.613	5	40	IHBB	
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O	36160967	VDKRKRMLCWCXMJ-CXUHLZMHSA-N	445.409	3.844	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12	13607915	LIUYHHHECMEOLP-QATBIIFWSA-N	446.438	3.505	5	40	IHBB	
O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)N1N=CC[C@]1(O)C(F)(F)F	13960359	GCYIXDYKERKIFM-HNNXBMFYSA-N	433.726	3.503	5	40	IHBB	
CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])cc1	15131409	VYEFEZOVRRSGBM-UHFFFAOYSA-N	433.486	3.766	5	40	IHBB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(N2CCCCCC2)cc1	15418251	NDRXJAOSDYLFNM-UHFFFAOYSA-N	437.544	3.736	5	40	IHBB	
O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	15481609	XWKGEUKVOHKBCU-UHFFFAOYSA-N	426.370	3.513	5	40	IHBB	
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Br	21123949	RLUJDNLJEXXAEM-UHFFFAOYSA-N	426.179	3.535	5	40	IHBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccccn2)c([N+](=O)[O-])c1	33014430	JJIIGJGMEDRWSX-UHFFFAOYSA-N	426.498	3.860	5	40	IHBB	
CCN(CC)[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Cc1ccccc1	36394781	BFAHEGXPSAPCCR-NEQMZLFVSA-N	439.512	3.544	5	40	IHBB	
CCN1CCC[C@@H](Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1	48325650	ZIJUAIFXZPKIBD-QGZVFWFLSA-N	432.546	3.909	5	40	IHBB	
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	103933330	AIIMVGFDGJAWJX-UHFFFAOYSA-N	428.313	3.932	5	40	IHBB	
CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408689012	XMDCQXOMJHUDPW-RTBURBONSA-N	437.427	3.633	5	40	IHBB	
Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O	10433906	GIAITYIBBGSMCG-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O	13712596	GPLGIVNPIDUUPJ-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3n3c(-c4ccccc4)nnc23)c1	16757162	RQJHGVZJBPIGFT-UHFFFAOYSA-N	446.448	3.654	5	40	IHBB	
O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1	24198157	IBVCOFVBYGAVPU-UHFFFAOYSA-N	430.417	3.598	5	40	IHBB	
COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	3097848	JKAFKNHHEMSVTR-UHFFFAOYSA-N	431.404	3.504	5	40	IHBB	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(N2CCOCC2)ccc1[N+](=O)[O-]	8742257	HODBGUKQOASWOQ-UHFFFAOYSA-N	446.438	3.937	5	40	IHBB	
CCOC(=O)c1c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCC2	9673318	JWAWEOKEGZOOIO-UHFFFAOYSA-N	434.518	3.944	5	40	IHBB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1	15592535	HMLPWFXKMSCAMZ-KBPBESRZSA-N	435.477	3.653	5	40	IHBB	
CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC	408567792	RISFEVHOJAEPTN-STCFVSJZSA-N	437.496	3.539	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]	409152307	DXJGGSYYBRUUJL-LZYBPNLTSA-N	447.856	3.932	5	40	IHBB	
COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc3C2=O)cc1	409183982	VNSOXVDVPYCOTM-UHFFFAOYSA-N	432.388	3.761	5	40	IHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC	2343696	MOQHLWMNFGQHKM-UHFFFAOYSA-N	443.507	3.778	5	40	IHBB	
O=C(COc1ccc(Cl)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	10166306	ZIEPYJHYEFIQBR-UHFFFAOYSA-N	432.889	3.586	5	40	IHBB	
Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1	78903594	OVXFWRXUUXWMCZ-UHFFFAOYSA-N	434.443	3.574	5	40	IHBB	
Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)cc1[N+](=O)[O-]	108929372	BTLBPSRANFVSJP-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1	9703793	GFXYXNORFIXGIH-OLZOCXBDSA-N	448.405	3.872	5	40	IHBB	
COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F	12591236	AHKHDVIAZWNZJI-BLVKFPJESA-N	449.410	3.950	5	40	IHBB	
Cc1nn(C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	40034420	WXYVADWWEGIINU-SNVBAGLBSA-N	449.876	3.598	5	40	IHBB	
COC(=O)[C@@H](C)CN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CC1	96003604	WHTKNHPUNLAHFL-INIZCTEOSA-N	428.485	3.956	5	40	IHBB	
Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C1=O	102727397	GHOVMVSZIPSWNX-BHDDXSALSA-N	429.432	3.954	5	40	IHBB	
COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c([N+](=O)[O-])c1	408638832	TVBXARRZNSWBQF-UHFFFAOYSA-N	449.876	3.781	5	40	IHBB	
Cc1ccc(C(=O)COC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1[N+](=O)[O-]	409184978	ZOKROXAUUVNTRU-UHFFFAOYSA-N	430.420	3.736	5	40	IHBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1c(Cl)cc(Cl)cc1Cl	3253205	JVGSNXLSXXPMSU-UHFFFAOYSA-N	428.615	3.790	5	40	IHBB	
Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cccc1[N+](=O)[O-]	4109567	LJKHDMSTAQGNFJ-UHFFFAOYSA-N	434.452	3.711	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	9281405	XLNWKKFDQFMZBT-FDCRZUCXSA-N	430.420	3.847	5	40	IHBB	
C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)Nc1ccccc1[N+](=O)[O-]	17258434	KDLZGKYUYRZMAH-LBPRGKRZSA-N	434.832	3.522	5	40	IHBB	
COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	1359722	QWNLFBIHAKEYBD-UHFFFAOYSA-N	444.447	3.683	5	40	IHBB	
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	17098660	PHSCTWCKILYAQT-UHFFFAOYSA-N	433.877	3.687	5	40	IHBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])ccc3O)C(=O)O)o2)c1	408632505	JHBPZABBLHKNSM-PXNMLYILSA-N	445.409	3.585	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]	408666265	XUJDLJDGLKPCSV-UHFFFAOYSA-N	435.436	3.957	5	40	IHBB	
CCCC(=O)Oc1ccccc1N(C(=O)CCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	6471545	PLZVJPVNFHVTNF-UHFFFAOYSA-N	434.470	3.822	5	40	IHBB	
COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9443707	WYKAHHUIHHMPIH-NSHDSACASA-N	448.892	3.660	5	40	IHBB	
O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1cc([N+](=O)[O-])cc2c1OCOC2	29215551	VORHXDGTZMUIAS-UHFFFAOYSA-N	433.342	3.752	5	40	IHBB	
O=C(NC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1	32829226	CIACKDDOHIFYTN-UHFFFAOYSA-N	438.362	3.921	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	222545631	IKETWXKTYCZKRZ-UHFFFAOYSA-N	425.466	3.981	5	40	IHBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408679416	DYXVCPZKFOTQCJ-NIKGAXFTSA-N	439.443	3.713	5	40	IHBB	
O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408682910	KHKPUORNSXJVMQ-HOTGVXAUSA-N	439.855	3.757	5	40	IHBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	408686235	RBCGEDBFAGWRJP-IYBDPMFKSA-N	441.871	3.981	5	40	IHBB	
O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1CCCc1ccccc1	409138158	ZFBQOIJSVVZCDH-MHWRWJLKSA-N	429.410	3.878	5	40	IHBB	
COC1=C[C@@H]2C(=O)[N+](c3ccc(C(=O)O)cc3)=C(/C=C\c3cccc([N+](=O)[O-])c3)N=C2C=C1	584567169	ZLXASDKCRPAANV-HBNJSIALSA-O	444.423	3.746	5	40	IHBB	
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O	1747139	LNSIXVJBOBTZAJ-WYMLVPIESA-N	438.436	3.705	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1	8901424	LTHAOBVXJYRTGJ-UHFFFAOYSA-N	425.470	3.792	5	40	IHBB	
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1OC	20759986	LJTSKPRNIZFIRF-UHFFFAOYSA-N	444.469	3.625	5	40	IHBB	
CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	223948319	FTDPCCJUYDWILF-NRFANRHFSA-N	441.528	3.870	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2F)cc1	408565359	BUKTVMDUURNHJC-UWSFRGMNSA-N	447.466	3.973	5	40	IHBB	
CCN(CC)C(=O)Nc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	84770984	ADSKJLXOZDAQRQ-OAHLLOKOSA-N	434.518	3.816	5	40	IHBB	
Cc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl	220385878	DMQKEKTVEMCWOO-ZDUSSCGKSA-N	425.894	3.658	5	40	IHBB	
COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c([N+](=O)[O-])cc1OC	408917293	QLMZDIKWKJJZJW-CAOOACKPSA-N	445.409	3.757	5	40	IHBB	
Cc1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)cccc1[N+](=O)[O-]	11423202	GASKDNIQFLQJSN-UHFFFAOYSA-N	430.534	3.797	5	40	IHBB	
CCOC(=O)c1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1	13284044	YQZFVLJWNMWRDU-UHFFFAOYSA-N	426.454	3.688	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1	16606860	YAIHPPWNUIYDMH-QGZVFWFLSA-N	432.889	3.688	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	9119675	ACPZWLJMADZLRE-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
O=C(Cc1ccccc1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	12781589	AKSIVWWISRYKBU-UHFFFAOYSA-N	437.886	3.719	5	40	IHBB	
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1	13569972	LCCWCAXUTSVEAM-QFIPXVFZSA-N	431.452	3.904	5	40	IHBB	
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1	17097227	OVXSNIGUHRCLAI-UHFFFAOYSA-N	430.892	3.949	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O[C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1	109048945	IYCLRZZZCYTBAS-SJORKVTESA-N	432.498	3.608	5	40	IHBB	
NC(=O)[C@@]1(c2nc(-c3ccc(Br)cc3)cs2)O[C@H]1c1ccc([N+](=O)[O-])cc1	12250619	GLYCQXGAHBFGHT-YJBOKZPZSA-N	446.282	3.933	5	40	IHBB	
Cc1cc(C)c(NC(=O)CN2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c(C)c1	55202005	LQIJVZWWBNCICL-UHFFFAOYSA-N	439.541	3.890	5	40	IHBB	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	101240727	IEYIAQKUFZAYBP-KBPBESRZSA-N	439.855	3.929	5	40	IHBB	
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102718614	MNUHBILPENDACX-FDFHNCONSA-N	429.432	3.954	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223331274	JATOWZWYZVRRRW-QGZVFWFLSA-N	438.311	3.998	5	40	IHBB	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1	628603	VEGCMRRTCKDGEJ-VFNWGFHPSA-N	434.452	3.956	5	40	IHBB	
O=C(CCS(=O)(=O)c1ccc(F)cc1)OCc1cc(=O)oc2ccc3ccccc3c12	9822942	NKJYQIGZZYLGAK-UHFFFAOYSA-N	440.448	3.993	5	40	IHBB	
CC(C)C[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1	220422260	NLYXXLLAQTWRNA-OXJNMPFZSA-N	433.530	3.653	5	40	IHBB	
Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c1	9369119	FDBQPHZEGDTCKX-UHFFFAOYSA-N	429.483	3.738	5	40	IHBB	
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCSCc1ccco1	9872049	NFPWWONWLKREPQ-UHFFFAOYSA-N	432.424	3.851	5	40	IHBB	
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-]	12758441	MNBZDSPYRZFBRD-UHFFFAOYSA-N	425.894	3.886	5	40	IHBB	
CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])c(Br)c1	13006558	FYMYDRVKMYJRJN-UHFFFAOYSA-N	444.259	3.610	5	40	IHBB	
Cc1cc([N+](=O)[O-])c(NCCCNc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	100539033	IFFXYVCJIQUSOA-UHFFFAOYSA-N	434.365	3.850	5	40	IHBB	
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1	15265800	QIFLIMUCIMJIAH-QFIPXVFZSA-N	449.507	3.949	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1	21994049	MCBYQRNUGRNAFT-UHFFFAOYSA-N	433.420	3.951	5	40	IHBB	
Cc1cccnc1NC(=O)[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	72308208	RZQQKMXCGXQADD-RDJZCZTQSA-N	436.472	3.760	5	40	IHBB	
COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	101076565	GFEQTTSYRQKZLP-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
COCCn1c(-c2cccs2)nc2oc3ccc(Br)cc3c(=O)c2c1=O	2354313	HGHFAWMUUHKVNG-UHFFFAOYSA-N	433.283	3.640	5	40	IHBB	
Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3	8435611	WMOYHOHYIGRFBU-UHFFFAOYSA-N	430.511	3.513	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-]	9426116	SDNSRSNLVSCLCZ-UHFFFAOYSA-N	440.500	3.550	5	40	IHBB	
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1	16692090	KDUOSKCXAUDCRY-UHFFFAOYSA-N	433.424	3.988	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	8442910	WYISPWNBMHELDB-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
CNc1cc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-]	9111430	HVDZHJRQAPLQLW-UHFFFAOYSA-N	425.367	3.890	5	40	IHBB	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	9463208	QLYOWCNYIFPFJE-HUUCEWRRSA-N	447.513	3.522	5	40	IHBB	
Cc1ccc(C)c(S(=O)(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c1	10625047	GBWCBEGWUJEKAU-UHFFFAOYSA-N	428.470	3.615	5	40	IHBB	
O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccc(Cl)c([N+](=O)[O-])c1	13400359	MOEROXZXTYNKAM-UHFFFAOYSA-N	432.824	3.938	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1	40153752	WQXBRVVHCFCULC-CQSZACIVSA-N	446.529	3.683	5	40	IHBB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1\N=C(c2ccccc2)OC1=O	408997447	GEKZTEUYIQEXHQ-BOPFTXTBSA-N	433.380	3.650	5	40	IHBB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1	409003421	FYKDSJHZOIBKJZ-UHFFFAOYSA-N	439.493	3.733	5	40	IHBB	
COc1cc(OCC(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-]	520556145	ACEYCTMJSHOIRU-QGZVFWFLSA-N	427.501	3.531	5	40	IHBB	
Cc1c(C[C@H](C)O)c(=O)oc2cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc12	2321566	FNCROCYTQOOKLG-NSHDSACASA-N	446.843	3.604	5	40	IHBB	
Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	9096312	FRDCNDPTQSLRIU-UHFFFAOYSA-N	425.466	3.634	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	220396169	RRPANXKMAIWSCC-SJORKVTESA-N	433.530	3.552	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O	408614193	ZOYIAQHIUMCHEP-UHFFFAOYSA-N	446.312	3.610	5	40	IHBB	
COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c1	408673812	VPRKKSWYEGTJPW-UHFFFAOYSA-N	447.403	3.665	5	40	IHBB	
COc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c([N+](=O)[O-])c1	409168646	NLYYHPSRCYJMJV-UHFFFAOYSA-N	430.442	3.605	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	9349106	SNCSTGODCKSLHH-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
Cc1ccc(O[C@H](C)C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	12781593	YBCGZLPZDIKXPF-CYBMUJFWSA-N	447.494	3.599	5	40	IHBB	
Cc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1[N+](=O)[O-]	107584311	JQLKBOFUFSGZSU-ODLFYWEKSA-N	437.477	3.524	5	40	IHBB	
C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2N1C(=O)c1ccccc1	223268822	ZTMUVRCKLMIFRV-HNNXBMFYSA-N	437.477	3.987	5	40	IHBB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O	409217862	XRJDYNGJIPHGSK-VAENJDROSA-N	443.275	3.735	5	40	IHBB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1	409352850	FFMUSSVEZVQFPC-GIJQJNRQSA-N	428.422	3.531	5	40	IHBB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	6142158	XFLYLUWAQGFVEE-BDTNDASRSA-N	429.432	3.954	5	40	IHBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1	8830046	CDJWSJVYCFGVKO-HNNXBMFYSA-N	443.308	3.731	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	9510128	JZLPOZXJLGIOJN-MDZDMXLPSA-N	441.484	3.881	5	40	IHBB	
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)c1	19928950	SZQHHDPPZXVGHO-UHFFFAOYSA-N	449.876	3.781	5	40	IHBB	
O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cn2)n1C[C@H]1CCCO1)CCC3	23611155	PRBGOAHFMRZJKQ-GFCCVEGCSA-N	430.511	3.580	5	40	IHBB	
CCc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1	57509120	RKWOJVINWNFPNF-KRWDZBQOSA-N	433.512	3.855	5	40	IHBB	
CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224785631	HPNFKYQYMDLKLJ-UHFFFAOYSA-N	446.403	3.680	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	3174531	IIGYPMLWTATPAM-UHFFFAOYSA-N	427.438	3.657	5	40	IHBB	
Nn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1	3295774	WBDZYIBHQURKKU-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1[N+](=O)[O-]	12879740	CARZFWIIUSPCST-UHFFFAOYSA-N	431.495	3.787	5	40	IHBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	16384003	HRHBCCWSPBRGQZ-UHFFFAOYSA-N	425.228	3.772	5	40	IHBB	
CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17095899	BNQKZXTWXOGBLS-UHFFFAOYSA-N	428.514	3.682	5	40	IHBB	
CCCCn1c(COc2ccc(Cl)cc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21	31708255	NJDKCSRDMNVVGX-UHFFFAOYSA-N	438.893	3.624	5	40	IHBB	
CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	223292170	LAMCQSVPILWKAJ-RTWAWAEBSA-N	437.525	3.784	5	40	IHBB	
CC(=O)c1cc2c(cc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C)OCO2	2794538	YNQZQLFPPNWIDK-UHFFFAOYSA-N	436.424	3.640	5	40	IHBB	
C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2	8825226	FWTFMDXAPHWBET-LJQCHSNASA-N	442.512	3.762	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	8831276	XIIIFGWAERTNJA-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
COC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl	13300922	IQTAGUYRDNNASI-QMMMGPOBSA-N	436.104	3.587	5	40	IHBB	
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	13661189	SJZVHCSHLUOAHU-FSSWDIPSSA-N	445.431	3.655	5	40	IHBB	
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12	35883600	LNNFASIGHIHUBR-SNYIIPAISA-N	446.438	3.505	5	40	IHBB	
CCOc1ccc(-c2nc(CC(=O)N[C@H]3CCc4ncc([N+](=O)[O-])cc4C3)cs2)cc1	95467902	OKDZRHAXLYHEHZ-INIZCTEOSA-N	438.509	3.728	5	40	IHBB	
C[N+](C)(CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1)COC(=O)c1cccc(F)c1	98086594	AQQJRMOBICZDRD-RUZDIDTESA-N	444.523	3.638	5	40	IHBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	224880315	YQJAXLLMGGSXFM-OAQYLSRUSA-N	441.528	3.726	5	40	IHBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	225575552	IGULUUYKLJXBGI-MRXNPFEDSA-N	447.532	3.909	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1	408568094	HPWNXLOKVIVRFF-XHIRGIGLSA-N	429.476	3.834	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1	408583027	RAXLJRBIIVXCSN-UHFFFAOYSA-N	449.876	3.685	5	40	IHBB	
COc1cc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OC	9569531	JAWXYJSGNJCORG-UHFFFAOYSA-N	431.445	3.847	5	40	IHBB	
COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	57470947	JUUHSUQCRIMPIC-KRWDZBQOSA-N	449.511	3.609	5	40	IHBB	
Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	102711613	FNORUDMBNCDKKE-YPAWHYETSA-N	429.432	3.954	5	40	IHBB	
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	3196785	RSYLTRYQIOFOGL-UHFFFAOYSA-N	444.399	3.803	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1OC	6878332	HZDHCAXRGRWKLP-UHFFFAOYSA-N	427.486	3.921	5	40	IHBB	
CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	9043154	AVKPDODUWHDKSE-DOIPELPJSA-N	445.475	3.725	5	40	IHBB	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCN(Cc1ccccc1)C2	23153781	YDJBSTNHVOPDCQ-UHFFFAOYSA-N	436.493	3.566	5	40	IHBB	
Cc1cccnc1NC(=O)[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	72308207	RZQQKMXCGXQADD-DOTOQJQBSA-N	436.472	3.760	5	40	IHBB	
COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	89365282	IMCHNDUEWRILKC-UHFFFAOYSA-N	442.449	3.648	5	40	IHBB	
O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc3ccc([N+](=O)[O-])cc3n12	206310558	VSXWIIURXNTPCX-MTJSOVHGSA-N	429.457	3.944	5	40	IHBB	
CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408719110	DXOQSZPZCHTBLV-GOSISDBHSA-N	427.438	3.678	5	40	IHBB	
CCc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1	16161521	SUJBZJAFMOZUKD-UHFFFAOYSA-N	432.933	3.648	5	40	IHBB	
O=C(OCc1nc2ccccc2c2ccccc12)c1ccccc1CN1C(=O)CNC1=O	22226725	DAVBMPLIOWYBLL-UHFFFAOYSA-N	425.444	3.797	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	409265588	MXVNBISOYBHJPP-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O	2147423	OLXMLQFLHYUYDF-NZQKXSOJSA-N	432.480	3.561	5	40	IHBB	biogenic
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	9507223	PQWPLFYMWHTFFP-XYOKQWHBSA-N	429.498	3.730	5	40	IHBB	
CCN1CCN(C(=O)c2cc(Cl)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	58158418	JRMWTGIZRXILMS-RMKNXTFCSA-N	443.887	3.645	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1C	59176277	BNLGGAWASADSDI-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC	202139304	DBEPTHATTIZVIZ-LICLKQGHSA-N	430.438	3.857	5	40	IHBB	
CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222521650	POYGDJZQMNWWQK-MRXNPFEDSA-N	429.857	3.571	5	40	IHBB	
Cc1c(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-]	224860926	SMRWCTSGRCQHOF-UHFFFAOYSA-N	427.567	3.780	5	40	IHBB	
CCCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnc1[C@@H](CC)N(C)C	2618759	VLKJJCJVANOAEF-MRXNPFEDSA-N	438.529	3.869	5	40	IHBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccc(Br)cc3s2)CC1	10166300	LEJMWSPLDOFHJZ-UHFFFAOYSA-N	447.314	3.929	5	40	IHBB	
CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)ccc21	16817715	YDJWWZKYDSNZBJ-ZDUSSCGKSA-N	437.452	3.506	5	40	IHBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C	18093158	MHHVBEDSQXGCQY-UHFFFAOYSA-N	448.545	3.560	5	40	IHBB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1	20468455	MHONQHVFJWJBPO-UHFFFAOYSA-N	434.880	3.788	5	40	IHBB	
COc1cc(OC)c(OC)cc1CNCc1ccc([N+](=O)[O-])c(OC)c1OC(F)F	58014428	VSFQBRLJHIZZNK-UHFFFAOYSA-N	428.388	3.520	5	40	IHBB	
Cc1cc(Cl)ccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	218267984	YHRJSDBXPQEWBF-UHFFFAOYSA-N	432.285	3.615	5	40	IHBB	
CC(C)n1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21	1547208525	LGXPLCGWFZNXOO-MJGOQNOKSA-N	448.523	3.871	5	40	IHBB	biogenic
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCOC)c(CC)nc32)cc1	2303782	HMWVJVYZTOCMQK-UHFFFAOYSA-N	443.507	3.891	5	40	IHBB	
CCn1cc(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)c(C(=O)OC(C)C)n1	2729422	ZRBQNBYCGFSSCI-UHFFFAOYSA-N	442.428	3.801	5	40	IHBB	
COCCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	9030519	LALAIHJURVCKAA-UHFFFAOYSA-N	447.904	3.884	5	40	IHBB	
Cc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1[N+](=O)[O-]	12761472	VTHKBGLWACMKSM-UHFFFAOYSA-N	441.875	3.565	5	40	IHBB	
COP(=O)(OC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccc2c(c1)OCO2	16749974	BWOAULXDCSEWNQ-UHFFFAOYSA-N	447.340	3.702	5	40	IHBB	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1	17097518	CSZVBVCCJUVBOI-LBPRGKRZSA-N	431.514	3.924	5	40	IHBB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(c1ccccc1)c1ccccc1	34851933	BSWIEQNRLZFPTR-UHFFFAOYSA-N	430.508	3.623	5	40	IHBB	
O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@]2(C1)C(=O)Nc1ccccc12	672976207	GXZAYAGMGVCCBV-VWLOTQADSA-N	445.425	3.696	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1	8783022	HYDGUUDKANRNDZ-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	9387113	SCHOVIFPBIINEM-TUQDCPSNSA-N	434.452	3.981	5	40	IHBB	
Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	408608942	NDTPWJUDNFRWQM-FQEVSTJZSA-N	445.903	3.921	5	40	IHBB	
O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1	864520	DGWVBMHMDWKKSD-OAHLLOKOSA-N	429.317	3.794	5	40	IHBB	
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1	2410378	RGIIEBCGSRXCIN-UHFFFAOYSA-N	429.480	3.719	5	40	IHBB	
O=[N+]([O-])c1nn(-c2cccc(C(F)(F)F)c2)[n+]([O-])c1NCCc1ccc(Cl)cc1	16400039	JUSOCNZQBBBWRR-UHFFFAOYSA-N	427.770	3.741	5	40	IHBB	
CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	17094888	QJCWSNVCXJZONX-UHFFFAOYSA-N	426.498	3.915	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1Cc1ccccc1	101238004	VUKMGDAVKDJOAH-FSSWDIPSSA-N	429.432	3.642	5	40	IHBB	
COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	102709331	SJZVHCSHLUOAHU-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
O=C(Nc1cccc2c1CCCC2)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	9698559	GECKODIHURPRPH-UHFFFAOYSA-N	443.525	3.513	5	40	IHBB	
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc([N+](=O)[O-])c1C	12536004	QRYUQSBIMRXJFR-UHFFFAOYSA-N	448.497	3.784	5	40	IHBB	
COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCCC2)cc1	27583146	DQIWYUTZKRTDNQ-JOCHJYFZSA-N	427.501	3.716	5	40	IHBB	
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F	57622369	QTOSXXBXDJAJDU-JTQLQIEISA-N	439.396	3.661	5	40	IHBB	
O=C1CS[C@H](c2cc([N+](=O)[O-])ccc2Cl)c2c(O)nn(C3CCSCC3)c2N1	96117873	IMXPOVYXPKIUQC-OAHLLOKOSA-N	440.934	3.993	5	40	IHBB	
Cc1ccc(Cn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4ccccc4nc32)cc1	100851373	OBPNNDXEZPCBDG-UHFFFAOYSA-N	441.535	3.548	5	40	IHBB	
CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223238271	SHTKQKWLSVWHPB-BTYIYWSLSA-N	445.541	3.506	5	40	IHBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	409351975	XNPRELICGAPEIG-LZYBPNLTSA-N	448.840	3.882	5	40	IHBB	
COc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c([N+](=O)[O-])cc1OC	9631224	JGBXOTUUHIAAMT-UHFFFAOYSA-N	442.396	3.722	5	40	IHBB	
COc1cc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C)cc1[N+](=O)[O-]	9631322	DXMPEJCNZLAGSU-UHFFFAOYSA-N	442.284	3.992	5	40	IHBB	
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12	13591243	LNNFASIGHIHUBR-UTSGNWPNSA-N	446.438	3.505	5	40	IHBB	
COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	16992167	NSMSNDSFLLROND-UHFFFAOYSA-N	433.511	3.556	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc2ccccc12)S(C)(=O)=O	222883289	UTSVZYIOGNQKSF-INIZCTEOSA-N	441.509	3.527	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408568433	ULANDSYMAGAYTE-VPHKFGTKSA-N	429.476	3.788	5	40	IHBB	
CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CCCC2	2617355	ZLMBGSYFFOGQFV-NSHDSACASA-N	431.470	3.678	5	40	IHBB	
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3c1ccc([N+](=O)[O-])cc1	10233235	WWNRIMIUFYBYRY-KRWDZBQOSA-N	435.417	3.916	5	40	IHBB	
Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)CSc1[nH]nc(C)c1[N+](=O)[O-]	15974317	ZRGAORKYELFDIX-UHFFFAOYSA-N	434.909	3.872	5	40	IHBB	
CCOC(=O)[C@H]1CCCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)C1	17296888	PRLSKQPHGIYKQR-HNNXBMFYSA-N	442.497	3.695	5	40	IHBB	
Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	23227601	AFYFGJMVWAEFIH-UHFFFAOYSA-N	429.454	3.604	5	40	IHBB	
O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)Nc1ccc(Br)cc1	36644206	LRAHEWRVBINPQJ-UHFFFAOYSA-N	434.275	3.873	5	40	IHBB	
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O	218474274	VHINUPPNRQFPDL-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
Cc1ccc(C2=N/C(=C/c3ccc(I)cc3)C(=O)O2)cc1[N+](=O)[O-]	1435640	GSRCHNJLLRYYCE-RIYZIHGNSA-N	434.189	3.852	5	40	IHBB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H](C)SC2=N1	3636651	DNWXTKUEXRAZRK-KUHUBIRLSA-N	437.477	3.987	5	40	IHBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	8442923	MSBQSZBGFYJGNH-UHFFFAOYSA-N	432.348	3.556	5	40	IHBB	
COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12	9316673	CGQWEVVIXUEEOE-UHFFFAOYSA-N	430.420	3.922	5	40	IHBB	
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1[N+](=O)[O-]	12992993	PGCKSLQNRMMELE-ZDUSSCGKSA-N	433.511	3.781	5	40	IHBB	
Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1[N+](=O)[O-]	17103029	ZSGPYKJNYRFITI-UHFFFAOYSA-N	439.247	3.701	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	30872003	HNGXNGMPFCOBSR-LJQANCHMSA-N	445.541	3.516	5	40	IHBB	
Cn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1O	408602686	DENBBBIUAGEWBA-UHFFFAOYSA-N	435.259	3.822	5	40	IHBB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3o2)C(=O)O)CC1	408633891	MVIAMCLSEFTRFA-CPNJWEJPSA-N	440.481	3.706	5	40	IHBB	
CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	9349060	GICDLUUOIUNHSU-LJQANCHMSA-N	444.513	3.690	5	40	IHBB	
Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccccc1	12580125	LNLOXMZYVSAXSF-LJQANCHMSA-N	443.529	3.607	5	40	IHBB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1	12904852	SNAGQIPIJXBNQE-UHFFFAOYSA-N	449.872	3.671	5	40	IHBB	
O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@@H](c2ccccc2)N1CCN1CCOCC1	20308797	QNGGLDJSVPWVDX-HSZRJFAPSA-N	440.499	3.824	5	40	IHBB	
CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1	40398870	QEICAPBAIRHHOW-VEVIJQCQSA-N	436.541	3.538	5	40	IHBB	
O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1	103614559	AGRSOIUWNDUISI-TZIWHRDSSA-N	430.395	3.516	5	40	IHBB	
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1F)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1	103623913	NHZSZGDVBIEKJZ-FPOVZHCZSA-N	430.395	3.516	5	40	IHBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222538384	CBZYEYOFJKHKFV-AWEZNQCLSA-N	435.933	3.645	5	40	IHBB	
Cn1c(Sc2ccc([N+](=O)[O-])c3nonc23)nnc1-c1cc(Br)ccc1O	408607450	SCSRVVVIYHKMRB-UHFFFAOYSA-N	449.246	3.546	5	40	IHBB	
Cn1c(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc2c1=O	3671004	VCFHYLUJOWPCGG-UHFFFAOYSA-N	426.332	3.920	5	40	IHBB	
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)CC1=O	10462059	LUFIWVNQOJPOSQ-OAHLLOKOSA-N	442.447	3.573	5	40	IHBB	
Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1Cc1ccc2c(c1)OCO2	89577893	SLLUALRMNIBJMH-UHFFFAOYSA-N	436.420	3.830	5	40	IHBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223550169	DSCUKFYOGVDICB-QGZVFWFLSA-N	429.542	3.690	5	40	IHBB	
O=C(O)CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	409148762	RIPINSJRKMFNFV-GIJQJNRQSA-N	437.433	3.719	5	40	IHBB	
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1	1062312	DIRRWUSLDBXNFR-FGEXJBCWSA-N	440.455	3.870	5	40	IHBB	
CCn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4o3)c(N)n(CCc3ccccc3)c2c1=O	9444018	NDCBTZCKKHXSCC-UHFFFAOYSA-N	444.451	3.759	5	40	IHBB	
COc1ccc(NS(=O)(=O)c2ccc(NCCOc3ccccc3)c([N+](=O)[O-])c2)cc1	13137165	BGDBXJLSKAYSBH-UHFFFAOYSA-N	443.481	3.895	5	40	IHBB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1	223067284	OLLOPNXNDYWBAI-NHCUHLMSSA-N	437.525	3.790	5	40	IHBB	
O=c1[nH]c(/C=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c([N+](=O)[O-])c(=O)[nH]1	9235265	KBIXDCSGKIOZKA-CMDGGOBGSA-N	440.818	3.937	5	40	IHBB	
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O	13713944	NLJQXFOKMIPMIG-KRWDZBQOSA-N	425.894	3.740	5	40	IHBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	79066457	CRACOADUGWUNAA-CHWSQXEVSA-N	441.456	3.596	5	40	IHBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	9561762	ZYHXYBVDYLIFFH-UHFFFAOYSA-N	443.412	3.717	5	40	IHBB	
C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(-c2ccccc2)cc1	10387192	ZQMZHMGLCHGPRI-HNNXBMFYSA-N	429.432	3.735	5	40	IHBB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc([N+](=O)[O-])cc2c1OCOC2	10722723	OVALDBBHFYUGEZ-UHFFFAOYSA-N	446.415	3.673	5	40	IHBB	
O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(-c2ccccc2[N+](=O)[O-])o1	12681342	LGWJJLZJGZYJFG-UHFFFAOYSA-N	437.433	3.999	5	40	IHBB	
Cc1ccc(-c2csc(NC(=S)NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1	32122968	OOMZZXQARVADOL-UHFFFAOYSA-N	428.495	3.919	5	40	IHBB	
CCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	33850938	PBGGSSPQXHBTGN-UHFFFAOYSA-N	442.209	3.859	5	40	IHBB	
O=[N+]([O-])c1cccnc1N1CCC([C@H]2CCCCCN2S(=O)(=O)c2ccccc2)CC1	71889376	JGNNCGDYJZUGLV-HXUWFJFHSA-N	444.557	3.840	5	40	IHBB	
Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2-c2ccccc2)n1	3411193	IFHAWIRZJDJWFM-UHFFFAOYSA-N	439.482	3.739	5	40	IHBB	
COc1cc(-c2noc(CCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc(OC)c1OC	9088589	UDJWNGFSWLRQMU-UHFFFAOYSA-N	442.428	3.632	5	40	IHBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1	16197275	VNEJGNBQVXNJHG-GFCCVEGCSA-N	428.466	3.654	5	40	IHBB	
Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cccc1[N+](=O)[O-]	408701270	VFNLLPCWPNMRHR-UHFFFAOYSA-N	437.905	3.984	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	9545023	IFQMFLCSTZUJTH-PKNBQFBNSA-N	438.415	3.732	5	40	IHBB	
CS(=O)(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-]	12945392	HUJPUUMWNHWRGN-UHFFFAOYSA-N	436.536	3.964	5	40	IHBB	
Cc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	18120493	FKUSPIUAIQCNHS-ZLNRFVROSA-N	443.459	3.950	5	40	IHBB	
O=C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	102641246	XLNWKKFDQFMZBT-RGCFKVTRSA-N	430.420	3.847	5	40	IHBB	
O=[N+]([O-])c1ccc(C(S(=O)(=O)Cc2ccccc2)S(=O)(=O)Cc2ccccc2)cc1	1566676	NIYNKYLYIQJQTM-UHFFFAOYSA-N	445.518	3.823	5	40	IHBB	
Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1	4157088	BBWAWGLQPHOESU-UHFFFAOYSA-N	444.399	3.744	5	40	IHBB	
COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	9259469	GHAUVPZXUDOPQS-GIJQJNRQSA-N	430.438	3.857	5	40	IHBB	
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1	14945407	WVZMNEKHUCEUOF-UHFFFAOYSA-N	432.483	3.861	5	40	IHBB	
CCc1c(C(=O)N[C@H]2CCc3ncc([N+](=O)[O-])cc3C2)cnn1-c1cccc(Cl)c1	95996814	FITIWPHHCJXCRJ-HNNXBMFYSA-N	425.876	3.679	5	40	IHBB	
O=C(c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	96011661	SBRXXAOZPWMXSD-UHFFFAOYSA-N	445.401	3.966	5	40	IHBB	
O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccccc1F	103623911	NHZSZGDVBIEKJZ-PZJWPPBQSA-N	430.395	3.516	5	40	IHBB	
CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260512986	YYMWAMBVIBFTAU-YLJYHZDGSA-N	447.557	3.942	5	40	IHBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc(-c2ccccc2)cc1	3358845	GLALJZBJNYPOEA-UHFFFAOYSA-N	436.420	3.831	5	40	IHBB	
Cc1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	8986161	NTHACYYUMGGWRZ-UHFFFAOYSA-N	438.362	3.793	5	40	IHBB	
COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	9128619	BXOMCQGLYUYTJA-UHFFFAOYSA-N	443.500	3.690	5	40	IHBB	
O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3ccc(F)cc3)nn12	13512839	DQAGJCDDJDHXQN-WQRHYEAKSA-N	434.408	3.673	5	40	IHBB	
COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	14269433	GNSHPHUXUCYDMM-UHFFFAOYSA-N	442.409	3.898	5	40	IHBB	
Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	20153214	AHLLJWBKGBXGOH-UHFFFAOYSA-N	442.497	3.719	5	40	IHBB	
C[C@H](c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	40157199	IVAGJSUSKLGNSK-QGZVFWFLSA-N	425.510	3.816	5	40	IHBB	
Cc1c(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	220036761	QSXHKQDVBQRGFW-GOSISDBHSA-N	433.530	3.573	5	40	IHBB	
CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(F)c1	222680562	JHHYVGVGYVLUQK-UHFFFAOYSA-N	447.847	3.711	5	40	IHBB	
O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1	409203704	YOMJXGAWMCZQKA-UHFFFAOYSA-N	431.514	3.777	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1Cc1ccccc1	6142161	ILTXKNHWZXTCFB-BDTNDASRSA-N	429.432	3.642	5	40	IHBB	
COCCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13	8792110	FJXGRLJGYJIRAI-HNNXBMFYSA-N	429.476	3.512	5	40	IHBB	biogenic
O=C(Nc1ccc(Br)cc1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	10187955	GARFANLMNYBBIE-UHFFFAOYSA-N	446.232	3.959	5	40	IHBB	
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)CC1=O	10462036	ZIIZBCMZXWQOFG-HNNXBMFYSA-N	442.447	3.573	5	40	IHBB	
COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	14091626	QKSVJUIUEZQNOO-UHFFFAOYSA-N	447.904	3.707	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N[C@H]1CCCC[C@@H]1n1cccn1	72307300	OXIXZURESXHDCJ-ICSRJNTNSA-N	447.561	3.952	5	40	IHBB	
CC[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c(C)s1)NC(=O)c1cc([N+](=O)[O-])c(C)s1	79056173	ZGGZWJWVSVQICI-QGZVFWFLSA-N	440.503	3.571	5	40	IHBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	219752786	IZHSKQQCQQYBBP-MRXNPFEDSA-N	444.296	3.693	5	40	IHBB	
CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	408571792	GABKTYPMPVKKBO-BJMVGYQFSA-N	443.887	3.787	5	40	IHBB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1	408695633	SILZXLYZCDJCHN-UHFFFAOYSA-N	449.554	3.665	5	40	IHBB	
COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)s2)cc1	12555318	NRULVMWJXKRBAR-UHFFFAOYSA-N	438.509	3.998	5	40	IHBB	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(Br)c2)NC(=O)N1	12652294	REFIGVFTGQIVKZ-MRXNPFEDSA-N	431.246	3.624	5	40	IHBB	
Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	12868726	KLZPEUXNDQDWNU-UHFFFAOYSA-N	431.514	3.649	5	40	IHBB	
COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	16517542	IMQRIVGCHNFSJX-GOSISDBHSA-N	445.815	3.695	5	40	IHBB	
CN(C)S(=O)(=O)c1ccc(SCc2cc(=O)oc3ccc4ccccc4c23)nc1	22225075	OMTKHBRCVIHNKF-UHFFFAOYSA-N	426.519	3.884	5	40	IHBB	
CCOC(=O)C1=C(C)N(C)[C@]2(CC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)C1	96191958	RZJQXAHSVCTSCE-XMMPIXPASA-N	448.479	3.913	5	40	IHBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	409176827	YVPGWWNUJIWYPO-UHFFFAOYSA-N	447.359	3.661	5	40	IHBB	
CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-]	10154516	RHZIYELDPKOJTD-CQSZACIVSA-N	444.509	3.865	5	40	IHBB	
O=C(Nc1cnn(COCC(F)(F)F)c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1	19631249	UMKPKSNSBHFEAJ-UHFFFAOYSA-N	440.334	3.752	5	40	IHBB	
O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1	56945591	UJILUNVBZGOILQ-OAQYLSRUSA-N	438.459	3.620	5	40	IHBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O	60388401	NPZOSIJQWMAQNP-OMCPYIIGSA-N	441.440	3.600	5	40	IHBB	
Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C	220397035	CAMPKJZCYSGOBV-SJORKVTESA-N	433.530	3.552	5	40	IHBB	
CCc1ccc([C@H](C)NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	260795991	NWVUUGVSLVVTNN-YWZLYKJASA-N	433.530	3.579	5	40	IHBB	
C[C@@H](NC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	819471	UUMVABGBGYHZKQ-VLIAUNLRSA-N	439.855	3.711	5	40	IHBB	
CCN1C[C@@H](CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)Oc2ccccc21	12731732	SVOPGPQWFLKYEW-LJQANCHMSA-N	441.531	3.901	5	40	IHBB	
CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	220397241	KRKFPKHXTDGTCI-XLIONFOSSA-N	447.557	3.942	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409177111	ATYALCIZNOMZAD-UHFFFAOYSA-N	441.421	3.897	5	40	IHBB	
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccco1	13117368	SPFWCQWIDPNDOK-UHFFFAOYSA-N	427.364	3.733	5	40	IHBB	
Cc1nn(CC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]	18424622	KAGBWKBNOCBBRK-UHFFFAOYSA-N	427.848	3.953	5	40	IHBB	
COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1	19928511	MMNJNODJKSOZCM-UHFFFAOYSA-N	430.442	3.605	5	40	IHBB	
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])ccc1Cl	2756008	SWQHCHCPBGGICQ-UHFFFAOYSA-N	438.874	3.758	5	40	IHBB	
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1	9012450	FNORUDMBNCDKKE-VSKRKVRLSA-N	429.432	3.954	5	40	IHBB	
Cc1noc(/C=C/c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)c1[N+](=O)[O-]	9295510	XVWJGEICOPQPJY-FMIVXFBMSA-N	448.479	3.789	5	40	IHBB	
CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)nn1	9715026	QACIZYCJTHTBHZ-UHFFFAOYSA-N	434.861	3.905	5	40	IHBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1	13954918	YVPWVFBNYVWDPA-UHFFFAOYSA-N	430.892	3.805	5	40	IHBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(I)cn1	17096653	QCZXYRQNQNALPH-QHHAFSJGSA-N	429.601	3.900	5	40	IHBB	
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCC(=O)OC	408543196	NJFCGHUUSYNPMA-AATRIKPKSA-N	441.234	3.775	5	40	IHBB	
COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1	409189504	PUTJLNPONJPKFX-ZDLGFXPLSA-N	442.453	3.827	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C	409327321	JCQORWHTBKAAFR-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1	1020861	IBVQADBLCWCPMH-UHFFFAOYSA-N	429.388	3.850	5	40	IHBB	
CCCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc2c1=O	3286379	IZJSIYPNIIMPIP-CYBMUJFWSA-N	442.497	3.843	5	40	IHBB	
COc1cccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1OCc1ccc(Cl)cc1	15009313	GAWOOLVLADRLLB-JXMROGBWSA-N	429.816	3.795	5	40	IHBB	
O=c1/c(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)sc2nc3ccccc3n12	164744169	YBBRJOQZFNGSKW-BKUYFWCQSA-N	429.457	3.944	5	40	IHBB	
CC[C@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1	222529588	CXJLEZUZQSZLIT-VQTJNVASSA-N	433.530	3.715	5	40	IHBB	
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1	409359152	WGKIWAPPCXJXHU-RQZCQDPDSA-N	427.438	3.592	5	40	IHBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1	1359721	PQHABCRITWMQSF-UHFFFAOYSA-N	432.411	3.813	5	40	IHBB	
COc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1	6157227	JLDNJYBPQPNMOS-UHFFFAOYSA-N	439.497	3.566	5	40	IHBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1	409234639	OHCWVZOEFYBSEI-LICLKQGHSA-N	427.438	3.587	5	40	IHBB	
Cc1nn(CC(C)C)c(C)c1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	9891524	ROBQJHANNMJOKJ-UHFFFAOYSA-N	441.454	3.854	5	40	IHBB	
COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C	9988622	NHQXPEZYESTJRR-UHFFFAOYSA-N	426.381	3.626	5	40	IHBB	
Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	16484001	NIXRPVWPLSWPSD-QHCPKHFHSA-N	431.496	3.800	5	40	IHBB	
Cc1cccc(CN2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1	29921056	NMCGCRAIEJQGBA-UHFFFAOYSA-N	425.532	3.808	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl	36654484	FPQJHIRELQWPRS-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	3146594	RBTJAOJAOJOTDL-UHFFFAOYSA-N	430.372	3.552	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2	9140907	ZYKDDIBZAYOYRR-UHFFFAOYSA-N	435.436	3.826	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)cc1C	13146100	WXZPCQUXULKRDQ-UHFFFAOYSA-N	445.435	3.741	5	40	IHBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1	102724271	SCCPQDAGFFQDBE-YPAWHYETSA-N	445.431	3.655	5	40	IHBB	
Cc1cc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)ccc1[N+](=O)[O-]	218134124	ADGIHDXYOTYEGQ-UHFFFAOYSA-N	431.246	3.988	5	40	IHBB	
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cccc([N+](=O)[O-])c1	223775674	BQKRYXPFCLFXHA-UHFFFAOYSA-N	439.449	3.899	5	40	IHBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1	409356129	FMVQHXPLDSDIRL-GIJQJNRQSA-N	428.422	3.531	5	40	IHBB	
CCOC(=O)C[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)no1)c1cccc([N+](=O)[O-])c1	12413207	ZMYCIFVNGYKZNZ-SFHVURJKSA-N	439.424	3.683	5	40	IHBB	
Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1	57721991	VCIHRQQOYOWYQL-UHFFFAOYSA-N	437.275	3.652	5	40	IHBB	
CC[C@H](C(=O)Nc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222514745	NVVWGAZHENOCBS-HXUWFJFHSA-N	427.482	3.931	5	40	IHBB	
O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1	409239297	PHHVCWACTLXJNE-UHFFFAOYSA-N	439.493	3.645	5	40	IHBB	
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O	13714761	AZZNJVKYNASAOE-QGZVFWFLSA-N	425.894	3.740	5	40	IHBB	
Cc1cc(Br)cc(C)c1NC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1	16269500	ZPNUPPSUEYAZRC-UHFFFAOYSA-N	438.303	3.866	5	40	IHBB	
Cc1nccn1-c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccn1	48354891	KLHMLUMIKKTOBF-UHFFFAOYSA-N	434.500	3.650	5	40	IHBB	
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1	56945592	UJILUNVBZGOILQ-NRFANRHFSA-N	438.459	3.620	5	40	IHBB	
O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O	138778559	LTKWRWPYKKKUJT-HDICACEKSA-N	441.871	3.981	5	40	IHBB	
CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12	218279493	QGCRBKQOEVLICR-UHFFFAOYSA-N	433.873	3.806	5	40	IHBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3F)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408687651	URWLJMYFNBTUIU-ZMYBRWDISA-N	439.443	3.713	5	40	IHBB	
Cc1cccc(NC(SCc2ccc([N+](=O)[O-])cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1	409375706	OERVGNVFTXMIPQ-UHFFFAOYSA-N	440.481	3.511	5	40	IHBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1O	409412571	XTQHVVVKALUJBD-UHFFFAOYSA-N	433.877	3.963	5	40	IHBB	
Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nnc(-c6ccccc6)n5)nc34)c12	13644088	JKKISHHLUHQZQO-UHFFFAOYSA-N	449.450	3.835	5	40	IHBB	
CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	58158766	OENAVKYGOZKTIF-CQSZACIVSA-N	430.892	3.600	5	40	IHBB	
CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2	223045687	VCBTUGRZFRVRIQ-OAQYLSRUSA-N	445.541	3.507	5	40	IHBB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-]	223243214	SPYJXLNCPQPOGG-QGZVFWFLSA-N	438.311	3.998	5	40	IHBB	
CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1	8831741	BUYCDEJUAXGBQW-UHFFFAOYSA-N	447.948	3.517	5	40	IHBB	
CN(C)c1cc(Nc2ccccc2I)c([N+](=O)[O-])c2nonc12	9111451	XPEACKSWPFMQDF-UHFFFAOYSA-N	425.186	3.545	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O	10187770	AKOGBJUMJBLGTG-UHFFFAOYSA-N	431.807	3.858	5	40	IHBB	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1	15391708	CAVOBMOEQKNPIL-UTCJRWHESA-N	430.436	3.845	5	40	IHBB	
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12	17057981	LIUYHHHECMEOLP-GQOCTPOGSA-N	446.438	3.505	5	40	IHBB	
COc1cc(COC(=O)c2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])cc1OC(F)F	25030425	GLHRNHBEMIOGHK-UHFFFAOYSA-N	436.367	3.910	5	40	IHBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)c(O)c(Br)c1	32116472	OTEKHKSKYALJOU-UHFFFAOYSA-N	446.051	3.843	5	40	IHBB	
COc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC2)cc1	32157575	VYHDUBALHKJENB-UHFFFAOYSA-N	434.452	3.524	5	40	IHBB	
CC(C)NC(=O)c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)c([N+](=O)[O-])c1	32899466	ARGAGQFHAGNHBS-UHFFFAOYSA-N	433.512	3.603	5	40	IHBB	
O=C(O)Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21	408917058	LQHBUMHZVMYXHJ-GIJQJNRQSA-N	437.433	3.871	5	40	IHBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1	40069678	TYYIRNICFRSZCM-UKRRQHHQSA-N	446.301	3.930	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccccc1Cl)S(C)(=O)=O	222372322	FAKUNKOUWDZIHZ-UHFFFAOYSA-N	425.894	3.742	5	40	IHBB	
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	408647309	WWAUBKBYYYUDDZ-KRWDZBQOSA-N	439.468	3.852	5	40	IHBB	
CC(C)(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1	8869805	JWBSFBCYTABQNI-HXUWFJFHSA-N	430.526	3.722	5	40	IHBB	
COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCCC2)cc1	27583108	BDDREQYGEXRCLC-NRFANRHFSA-N	427.501	3.716	5	40	IHBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1	408582750	PWPRYTNHBRENJK-UHFFFAOYSA-N	443.529	3.920	5	40	IHBB	
Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1	408596058	NSVGPFLAQXKUTG-UHFFFAOYSA-N	441.513	3.958	5	40	IHBB	
CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2oc1=O	2887467	ZCIAYLGJINDJGD-UHFFFAOYSA-N	444.827	3.960	5	40	IHBB	
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[S@@](=O)C2	9413772	FDPJGDGWHRJYCN-LJAQVGFWSA-N	430.873	3.757	5	40	IHBB	
O=C(NCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	17095769	ZJVZNLJQBLKBMT-UHFFFAOYSA-N	428.445	3.613	5	40	IHBB	
COc1cc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC(F)F	40043408	QAVHBKCSZDSORN-MDZDMXLPSA-N	449.454	3.856	5	40	IHBB	
CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1	44088227	UKCANGUKFQTYSD-UHFFFAOYSA-N	434.424	3.887	5	40	IHBB	
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	59132415	XQEPLEMZWUMIBU-UHFFFAOYSA-N	447.494	3.505	5	40	IHBB	
Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(F)(F)F	72310740	OWZLNOYNMRPORI-SFHVURJKSA-N	437.378	3.831	5	40	IHBB	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1	9059278	ZLTAAKZVJUOTIJ-UHFFFAOYSA-N	436.453	3.620	5	40	IHBB	
O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc([N+](=O)[O-])cc1Br	9127198	CLMDEDXYPWTQLZ-UHFFFAOYSA-N	447.274	3.612	5	40	IHBB	
COc1ccc([C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1	9469259	INXOYRANDPCCHD-KRWDZBQOSA-N	447.435	3.612	5	40	IHBB	
O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	9569251	GHNMQBBTNORDTI-UHFFFAOYSA-N	427.438	3.582	5	40	IHBB	
Cc1ccc(N2C[C@H](C(=O)O[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)cc1	12776784	ZEPQVHAWQCAZJS-GDBMZVCRSA-N	436.424	3.611	5	40	IHBB	
COc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1[N+](=O)[O-]	23875559	MYJYFUSBDBURHP-UHFFFAOYSA-N	426.860	3.767	5	40	IHBB	
Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1I	40040400	DCIAPBPHVIYCBV-UHFFFAOYSA-N	425.226	3.949	5	40	IHBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	225573475	GAVJSMGPNVAXEF-XMMPIXPASA-N	445.519	3.832	5	40	IHBB	
CC[C@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1	260504140	CXJLEZUZQSZLIT-PMACEKPBSA-N	433.530	3.715	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(F)cc2)cc1	408571671	PLYWFXMIIDLRJZ-JSAFGSNCSA-N	447.466	3.973	5	40	IHBB	
COc1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1OC	12140458	ALYDQGGJTAHVKT-UHFFFAOYSA-N	426.454	3.800	5	40	IHBB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1Cc1ccccc1	13811031	VUKMGDAVKDJOAH-FKBYEOEOSA-N	429.432	3.642	5	40	IHBB	
Cc1noc(C)c1CN(C)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	32823942	LAVJZLNERXAKSF-UHFFFAOYSA-N	436.534	3.693	5	40	IHBB	
CCN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-]	48310059	LCAVVQLQISVMBQ-GOSISDBHSA-N	433.530	3.815	5	40	IHBB	
Cc1cc(C)c(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c([N+](=O)[O-])c1	101141682	LXHQORSOCYPXQL-UHFFFAOYSA-N	436.336	3.982	5	40	IHBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2)cc1	408570562	LJRHXDPAEFWPGN-SBGYWMCSSA-N	429.476	3.834	5	40	IHBB	
CCC(=O)NC1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1	1124079717	KSEIJOOPEPKDNV-UHFFFAOYSA-N	434.543	3.642	5	40	IHBB	
COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9443709	WYKAHHUIHHMPIH-LLVKDONJSA-N	448.892	3.660	5	40	IHBB	
CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1	12943554	JSJXGJGAZDIUKS-GOSISDBHSA-N	426.425	3.520	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccccc2F)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565212	IWPFYMJMYPYIRB-MQVPCNEGSA-N	447.466	3.927	5	40	IHBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Br)cc2)cc1	831345	XBPGUURRELRASO-HNNXBMFYSA-N	429.317	3.794	5	40	IHBB	
CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	17095902	VEGDWVVIWTXVKU-UHFFFAOYSA-N	428.514	3.980	5	40	IHBB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1	48368843	IYCLRZZZCYTBAS-DLBZAZTESA-N	432.498	3.608	5	40	IHBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1	223845200	BLOASUCXADOBOI-INIZCTEOSA-N	447.532	3.911	5	40	IHBB	
CN1C[C@H](c2ccccc2OCc2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408563967	BWKWHMGIXIEAQH-HFRGRHLUSA-N	447.466	3.927	5	40	IHBB	
COc1ccc(CCNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC	3096123	SZHOPZSMPNYLGV-UHFFFAOYSA-N	433.511	3.673	5	40	IHBB	
CCCOC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccccc3[N+](=O)[O-])C2=O)cc1	101094637	IPRANZHRNILKMF-UHFFFAOYSA-N	429.816	3.597	5	40	IHBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)C(F)(F)F)c1	9062481	LHCPNPMYLWEULG-UHFFFAOYSA-N	437.359	3.866	5	40	IHBB	
COc1cc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-]	13135107	VMCHXDBPZVXBNH-UHFFFAOYSA-N	426.347	3.655	5	40	IHBB	
Nn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	12661172	KRFNTYLVHYMYNY-UHFFFAOYSA-N	439.284	3.605	5	40	IHBB	
COc1ccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	16678078	KGYNYGJCCDNHGH-UHFFFAOYSA-N	427.379	3.749	5	40	IHBB	
Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1Br	408642296	NWTVXZFBHPTTGP-ZDUSSCGKSA-N	432.274	3.966	5	40	IHBB	
COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O	409241770	URUCJGSMHQWBQZ-GZTJUZNOSA-N	445.453	3.864	5	40	IHBB	
COc1ccccc1N1CCN(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)CC1	3196862	GNZSAHKDGCCRSN-RMKNXTFCSA-N	433.411	3.567	5	40	IHBB	
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	18009837	MOSFIMPGJSYNDM-FKBYEOEOSA-N	445.431	3.655	5	40	IHBB	
CCn1c(COc2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21	25393751	XOCROZGYILHPRD-UHFFFAOYSA-N	444.513	3.718	5	40	IHBB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC[C@H]1COc2ccccc2O1	34720526	DGLWRCXVNBWXAT-INIZCTEOSA-N	441.465	3.648	5	40	IHBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222567913	STONGXNCYVAUEW-GHTZIAJQSA-N	425.529	3.902	5	40	IHBB	
Cc1ccc(C)c(NC(=O)CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1	9669835	ZHEGQGMQBYFXPO-UHFFFAOYSA-N	445.419	3.580	5	40	IHBB	
COc1ccc(SCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1	10219240	HTAUZIURSCMPSN-UHFFFAOYSA-N	444.538	3.654	5	40	IHBB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1	21571378	JUZNIARZEMJNMD-UHFFFAOYSA-N	430.442	3.701	5	40	IHBB	
CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1	40153751	WQXBRVVHCFCULC-AWEZNQCLSA-N	446.529	3.683	5	40	IHBB	
CCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O	40398945	HCBRXPMLHNWCJI-UHFFFAOYSA-N	444.520	3.521	5	40	IHBB	
CCN(C)Cc1cccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1	48309593	UWHRMVRNFGHASQ-UHFFFAOYSA-N	431.436	3.952	5	40	IHBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O	95929360	BXZQYGFNVZNHCT-JOCHJYFZSA-N	443.463	3.865	5	40	IHBB	
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1	217874777	HRSRCRRFRJRQGH-UHFFFAOYSA-N	432.820	3.588	5	40	IHBB	
C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	220403706	ZHMXXZHTAMOBCM-SNVBAGLBSA-N	432.285	3.695	5	40	IHBB	
CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224786715	KIYHTSZTIFKZFE-UHFFFAOYSA-N	447.296	3.968	5	40	IHBB	
Cc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	870207	KEPCHISGTFIOOA-UHFFFAOYSA-N	425.466	3.737	5	40	IHBB	
O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	2068067	HYVQEPMHDQNMJO-UHFFFAOYSA-N	449.375	3.795	5	40	IHBB	
Cc1c(C(=O)O)cccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	9348464	RDJDGDFDCBIDET-UHFFFAOYSA-N	430.372	3.633	5	40	IHBB	
CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1	9415360	NUMXVZDGMDLILD-OAHLLOKOSA-N	430.486	3.573	5	40	IHBB	
CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1	40398869	QEICAPBAIRHHOW-SNUQEOBHSA-N	436.541	3.538	5	40	IHBB	
O=C(NCC1(c2cccc(Br)c2)CCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	84363347	WYULGGWOERJROP-UHFFFAOYSA-N	447.285	3.980	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	408669039	VUWLPKSCCOQHJR-UHFFFAOYSA-N	433.848	3.847	5	40	IHBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	9510260	MKXLBKKEFXDGLZ-JXMROGBWSA-N	441.484	3.881	5	40	IHBB	
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCCC1	15790846	DNTFTRRXVGUCJX-UHFFFAOYSA-N	447.513	3.729	5	40	IHBB	
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O	21151045	DMKNJIZSKSKZHP-NRFANRHFSA-N	444.447	3.842	5	40	IHBB	
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1	21578205	MZCJHIQFJHIPAY-UHFFFAOYSA-N	430.892	3.949	5	40	IHBB	
O=C(c1ccc(-n2cccn2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	25174933	GZCSOWDNAUOOSH-UHFFFAOYSA-N	445.401	3.762	5	40	IHBB	
COC(=O)[C@H](C)CN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C1CC1	96003605	WHTKNHPUNLAHFL-MRXNPFEDSA-N	428.485	3.956	5	40	IHBB	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	2659530	KHOPUVIENJDIIY-UHFFFAOYSA-N	441.465	3.585	5	40	IHBB	
O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N[C@@H]1CCCc2ccccc21	25036744	PDGWNKICTPKUIG-HXUWFJFHSA-N	437.496	3.548	5	40	IHBB	
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3c1cccc([N+](=O)[O-])c1	8739837	WVCNXBZKIBLYLI-KRWDZBQOSA-N	435.417	3.916	5	40	IHBB	
Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C	16312574	RPVSYNRAJPDYBD-UHFFFAOYSA-N	437.418	3.958	5	40	IHBB	
Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1	20142711	JSDVDOFNDSOVBG-UHFFFAOYSA-N	437.452	3.744	5	40	IHBB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1cc(F)ccc1[N+](=O)[O-]	33778970	IXZUSRBNFMIQHL-KRWDZBQOSA-N	433.436	3.783	5	40	IHBB	
CC(=O)c1ccc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c([N+](=O)[O-])c1	72312227	AHDSDXUIWHWHRM-UHFFFAOYSA-N	427.892	3.811	5	40	IHBB	
Cc1ccc(NC(=O)COC(=O)c2ccccc2OCc2c(C)noc2C)cc1[N+](=O)[O-]	9619482	KLVZUEPRKYNOFZ-UHFFFAOYSA-N	439.424	3.883	5	40	IHBB	
CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1	12641026	NBFJTZWCCCWRAA-UHFFFAOYSA-N	448.453	3.515	5	40	IHBB	
Cc1ccc(-c2nn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1	12745524	IBXYFSAJNXDYHO-IBGZPJMESA-N	431.448	3.720	5	40	IHBB	
O=C(CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl	97021889	QXDZDCALUJFIIQ-KRWDZBQOSA-N	426.864	3.809	5	40	IHBB	
O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	101112254	XLNWKKFDQFMZBT-STEAMIEHSA-N	430.420	3.847	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O	220396601	XHBUANQINCMHSV-PXNSSMCTSA-N	447.557	3.961	5	40	IHBB	
CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	408714712	WARJBTSVFMUTKQ-UHFFFAOYSA-N	430.486	3.763	5	40	IHBB	
COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	12275579	HGUGBSIFEMXEDO-UHFFFAOYSA-N	446.416	3.658	5	40	IHBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	14822552	VGFOPYJLAZXGPG-VGOFMYFVSA-N	429.498	3.811	5	40	IHBB	
CCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccc2ccccc2c1	5947640	ONKDDEZGURAGQX-UHFFFAOYSA-N	444.469	3.779	5	40	IHBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(F)cc1	9234939	NKJIQFCFQDDNGV-UXBLZVDNSA-N	427.388	3.671	5	40	IHBB	
CCOC(=O)c1ccc(C(=O)OCC)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1	13153198	BHYAPMHXMSCJNS-UHFFFAOYSA-N	447.469	3.766	5	40	IHBB	
COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C[C@@H](O)C(C)(C)O4	13382498	KCMPFWGUVNEDHW-GOSISDBHSA-N	426.465	3.949	5	40	IHBB	endogenous,in-man
CC[C@@H](C(=O)N[C@H](C)c1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260513017	ZHGMIJINILINQG-UZLBHIALSA-N	433.530	3.634	5	40	IHBB	
CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O	1890893	QSOCGTBYEFYVQW-ZJSXRUAMSA-N	446.507	3.951	5	40	IHBB	biogenic
CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	6135594	GHEDZNZVVPDLCT-UHFFFAOYSA-N	442.501	3.558	5	40	IHBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	8846739	NFOISXODGXPKTA-UHFFFAOYSA-N	430.313	3.721	5	40	IHBB	
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1	17101087	AQMIWDRBXOFKIB-UHFFFAOYSA-N	437.283	3.822	5	40	IHBB	
O=C1C[C@H](C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2N1	21466935	WBUVDIYSZZQVRF-OAHLLOKOSA-N	443.765	3.933	5	40	IHBB	
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	48365171	PRECAMVPMMDSQL-HXUWFJFHSA-N	428.448	3.963	5	40	IHBB	
CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222532120	VIJRGMKILRDCPA-INIZCTEOSA-N	425.894	3.740	5	40	IHBB	
COc1cc(-c2nc(-c3c(C)c(Cl)c(C)[n+]([O-])c3Cl)no2)cc([N+](=O)[O-])c1O	504786956	RSMHBWYLOKTIMG-UHFFFAOYSA-N	427.200	3.583	5	40	IHBB